# chain residue all-atom MC-atom SC-atom SC-polar-atom SC-nonpolar-atom A:1 GLY 3.36 0.28 3.61 0.24 3.15 0.05 3.15 0.05 nan nan A:2 SER 3.58 0.36 3.92 0.34 3.39 0.19 3.33 0.13 3.74 0.00 A:3 ALA 3.67 0.43 4.05 0.39 3.42 0.22 3.37 0.20 3.71 0.00 A:4 SER 3.58 0.40 3.87 0.49 3.42 0.20 3.36 0.15 3.78 0.00 A:5 GLY 3.87 0.34 4.03 0.32 3.66 0.24 3.66 0.24 nan nan A:6 ASN 4.05 0.70 5.02 0.37 3.66 0.33 3.60 0.33 3.93 0.08 A:7 LEU 4.00 0.64 4.78 0.20 3.79 0.56 3.74 0.64 3.93 0.09 A:8 ASN 3.78 0.51 4.39 0.25 3.54 0.35 3.49 0.38 3.74 0.02 A:9 GLU 4.41 0.82 5.33 0.31 4.08 0.68 4.05 0.77 4.15 0.36 A:10 LEU 4.30 0.79 4.89 0.65 4.14 0.74 4.14 0.86 4.13 0.25 A:11 ALA 4.16 0.63 4.63 0.22 3.84 0.62 3.85 0.68 3.79 0.00 A:12 LEU 3.87 0.57 4.50 0.35 3.70 0.49 3.61 0.52 3.94 0.30 A:13 LYS 4.00 0.67 4.47 0.50 3.90 0.66 3.82 0.72 4.20 0.10 A:14 LEU 3.89 0.51 4.48 0.16 3.73 0.46 3.62 0.46 4.03 0.29 A:15 ALA 3.86 0.52 4.06 0.47 3.72 0.50 3.70 0.54 3.83 0.00 A:16 GLY 3.71 0.43 3.79 0.39 3.62 0.48 3.62 0.48 nan nan A:17 LEU 3.86 0.43 4.31 0.30 3.74 0.38 3.62 0.36 4.05 0.24 A:18 ASP 3.76 0.52 4.07 0.43 3.61 0.49 3.59 0.56 3.67 0.13 A:19 ILE 3.82 0.48 4.25 0.39 3.70 0.44 3.60 0.44 3.97 0.29 A:20 ASN 4.04 0.74 5.00 0.16 3.66 0.50 3.60 0.54 3.89 0.17 A:21 LYS 3.84 0.47 4.03 0.38 3.80 0.48 3.71 0.47 4.12 0.38 A:22 THR 3.85 0.63 4.39 0.49 3.63 0.54 3.58 0.59 3.83 0.23 A:23 GLU 3.93 0.46 4.27 0.37 3.80 0.42 3.70 0.38 4.08 0.38 A:24 GLY 3.68 0.41 3.88 0.42 3.41 0.18 3.41 0.18 nan nan A:25 GLU 3.81 0.53 4.26 0.46 3.64 0.46 3.60 0.52 3.77 0.20 A:26 GLU 3.68 0.30 3.94 0.27 3.59 0.26 3.47 0.21 3.89 0.06 A:27 CYS 3.43 0.42 3.72 0.47 3.28 0.29 3.23 0.27 3.68 0.00 B:504 ILE 3.91 0.58 4.55 0.52 3.75 0.49 3.64 0.47 4.13 0.34 B:505 SER 4.45 0.79 4.33 0.71 4.52 0.82 4.50 0.89 4.62 0.00 B:506 GLY 3.96 0.74 3.86 0.56 4.09 0.91 4.09 0.91 nan nan B:507 ALA 3.88 0.54 4.00 0.42 3.79 0.58 3.78 0.64 3.84 0.00 B:508 MET 4.31 0.65 4.46 0.23 4.27 0.73 4.26 0.79 4.32 0.47 B:509 HIS 3.89 0.72 4.96 0.54 3.59 0.42 3.53 0.44 3.74 0.30 B:510 GLU 4.41 0.77 5.11 0.59 4.16 0.66 4.13 0.75 4.24 0.31 B:511 GLU 4.22 0.80 5.30 0.43 3.83 0.49 3.79 0.54 3.94 0.30 B:512 ASP 4.60 0.76 5.36 0.22 4.22 0.64 4.22 0.71 4.21 0.37 B:513 GLU 7.15 0.66 7.70 0.60 6.96 0.56 6.88 0.59 7.16 0.39 B:514 LYS 5.04 1.37 6.84 0.47 4.64 1.17 4.61 1.27 4.77 0.71 B:515 ARG 4.07 0.84 5.05 0.57 3.87 0.74 3.82 0.79 4.08 0.38 B:516 PHE 4.63 0.92 5.44 0.42 4.42 0.90 4.39 1.07 4.46 0.63 B:517 LEU 8.07 0.75 7.50 0.26 8.22 0.77 8.12 0.83 8.50 0.50 B:518 VAL 4.82 0.95 5.88 0.40 4.46 0.80 4.50 0.91 4.36 0.23 B:519 THR 4.15 0.74 4.93 0.25 3.83 0.63 3.81 0.69 3.93 0.28 B:520 VAL 4.81 0.80 4.90 0.35 4.78 0.90 4.80 0.99 4.71 0.58 B:521 ILE 7.04 0.83 6.37 0.30 7.23 0.83 7.14 0.88 7.46 0.64 B:522 LYS 4.01 0.72 4.61 0.70 3.88 0.66 3.83 0.74 4.08 0.11 B:523 ASP 4.10 0.76 4.86 0.24 3.72 0.64 3.73 0.72 3.69 0.23 B:524 LEU 5.48 0.85 6.29 0.62 5.27 0.77 5.25 0.85 5.32 0.47 B:525 LEU 4.82 1.06 5.93 0.54 4.52 0.96 4.52 1.07 4.53 0.57 B:526 GLY 3.98 0.51 4.11 0.35 3.80 0.63 3.80 0.63 nan nan B:527 LEU 4.66 0.84 5.62 0.70 4.40 0.68 4.35 0.73 4.53 0.48 B:528 CYS 5.63 0.94 6.00 0.47 5.42 1.07 5.42 1.15 5.46 0.00 B:529 GLU 3.90 0.68 4.32 0.63 3.75 0.62 3.72 0.72 3.82 0.20 B:530 GLN 3.94 0.60 4.31 0.30 3.83 0.62 3.79 0.68 3.98 0.30 B:531 LYS 4.54 0.92 5.41 0.28 4.35 0.91 4.25 0.98 4.69 0.46 B:532 ARG 3.69 0.54 4.39 0.22 3.54 0.47 3.46 0.47 3.88 0.27 B:533 GLY 4.18 0.69 4.63 0.60 3.58 0.13 3.58 0.13 nan nan B:534 LYS 4.00 0.80 5.23 0.60 3.73 0.54 3.63 0.54 4.07 0.33 B:535 ASP 4.20 0.77 5.14 0.35 3.73 0.40 3.71 0.46 3.80 0.03 B:536 ASN 4.77 0.94 5.84 0.31 4.34 0.75 4.29 0.79 4.56 0.46 B:537 LYS 4.76 1.09 6.10 0.28 4.46 0.97 4.43 1.08 4.56 0.34 B:538 ALA 5.64 0.47 5.83 0.26 5.52 0.53 5.56 0.57 5.35 0.00 B:539 ILE 4.22 0.76 5.24 0.20 3.95 0.61 3.89 0.66 4.11 0.38 B:540 ILE 5.60 1.01 6.20 0.38 5.44 1.06 5.40 1.11 5.54 0.90 B:541 ALA 6.69 0.72 7.35 0.34 6.24 0.55 6.27 0.60 6.10 0.00 B:542 SER 5.08 0.99 5.75 0.48 4.71 1.02 4.74 1.09 4.52 0.00 B:543 ASN 4.48 0.80 5.37 0.43 4.12 0.62 4.11 0.68 4.14 0.26 B:544 ILE 7.74 0.78 7.92 0.77 7.69 0.77 7.53 0.82 8.12 0.36 B:545 MET 8.38 0.72 8.22 0.36 8.42 0.80 8.39 0.85 8.53 0.56 B:546 TYR 4.51 1.18 6.43 0.39 4.06 0.78 4.14 0.99 3.94 0.26 B:547 ILE 5.63 1.25 7.05 0.64 5.25 1.09 5.25 1.15 5.27 0.89 B:548 VAL 10.40 0.77 9.58 0.35 10.67 0.68 10.57 0.75 10.99 0.17 B:549 GLY 7.66 1.07 7.21 1.15 8.25 0.52 8.25 0.52 nan nan B:550 GLN 5.17 1.03 5.63 0.61 5.03 1.09 4.96 1.20 5.27 0.54 B:551 TYR 6.94 1.02 7.06 0.63 6.91 1.09 6.80 1.31 7.08 0.60 B:552 PRO 5.38 0.99 6.37 0.45 4.99 0.86 5.04 1.02 4.86 0.17 B:553 ARG 4.55 1.10 6.27 0.42 4.20 0.84 4.15 0.89 4.43 0.59 B:554 PHE 7.33 1.36 7.78 0.34 7.22 1.49 7.27 1.60 7.15 1.32 B:555 LEU 9.67 0.76 8.71 0.43 9.92 0.61 9.84 0.68 10.16 0.23 B:556 ARG 4.79 1.39 6.29 0.92 4.49 1.26 4.44 1.35 4.69 0.77 B:557 ALA 4.41 0.76 4.63 0.56 4.27 0.84 4.32 0.92 4.00 0.00 B:558 HIS 4.68 0.86 5.51 0.31 4.45 0.82 4.48 0.95 4.37 0.33 B:559 TRP 5.22 1.23 6.22 0.50 5.02 1.24 4.98 1.42 5.07 0.95 B:560 LYS 4.03 0.70 5.03 0.04 3.80 0.56 3.72 0.61 4.09 0.18 B:561 PHE 4.66 0.83 5.55 0.63 4.43 0.72 4.44 0.86 4.42 0.48 B:562 LEU 9.25 1.13 7.95 0.49 9.60 0.99 9.45 1.07 10.00 0.55 B:563 LYS 5.64 1.17 6.17 0.83 5.52 1.20 5.46 1.32 5.76 0.57 B:564 THR 4.60 0.85 5.52 0.35 4.23 0.69 4.20 0.76 4.33 0.27 B:565 VAL 8.36 1.67 7.82 0.75 8.54 1.84 8.49 1.92 8.68 1.59 B:566 VAL 8.37 0.90 7.79 0.47 8.56 0.92 8.57 1.02 8.53 0.55 B:567 ASN 4.64 0.96 5.68 0.38 4.22 0.78 4.24 0.86 4.14 0.30 B:568 LYS 5.07 1.27 6.54 0.21 4.74 1.17 4.66 1.23 5.03 0.91 B:569 LEU 9.77 1.16 8.14 0.33 10.21 0.88 10.06 0.94 10.62 0.46 B:570 PHE 5.78 0.73 5.83 0.66 5.77 0.74 5.71 0.88 5.84 0.49 B:571 GLU 4.49 0.79 5.35 0.27 4.18 0.67 4.16 0.75 4.22 0.39 B:572 PHE 5.73 1.27 6.93 0.66 5.43 1.20 5.63 1.35 5.18 0.92 B:573 MET 7.26 0.64 7.25 0.45 7.26 0.69 7.21 0.72 7.39 0.56 B:574 HIS 4.42 0.94 5.10 0.79 4.22 0.88 4.26 1.03 4.12 0.29 B:575 GLU 5.27 0.88 5.64 0.15 5.14 0.99 5.18 1.08 5.03 0.67 B:576 THR 3.93 0.60 4.54 0.48 3.68 0.45 3.62 0.47 3.92 0.21 B:577 HIS 4.82 0.65 5.24 0.33 4.70 0.67 4.61 0.69 4.94 0.54 B:578 ASP 3.67 0.50 4.26 0.20 3.38 0.31 3.33 0.35 3.51 0.05 B:579 GLY 3.92 0.47 4.26 0.29 3.46 0.15 3.46 0.15 nan nan B:580 VAL 6.52 0.71 6.34 0.65 6.58 0.72 6.47 0.77 6.91 0.36 B:581 GLN 5.99 1.04 6.91 0.12 5.71 1.03 5.77 1.12 5.48 0.61 B:582 ASP 4.38 0.81 5.16 0.36 3.99 0.68 4.04 0.78 3.83 0.12 B:583 MET 4.81 0.92 5.72 0.77 4.54 0.77 4.53 0.83 4.55 0.51 B:584 ALA 8.42 0.81 7.86 0.45 8.79 0.79 8.70 0.83 9.28 0.00 B:585 CYS 5.35 0.85 5.44 0.67 5.30 0.93 5.40 0.96 4.67 0.00 B:586 ASP 4.49 0.77 5.23 0.33 4.12 0.66 4.13 0.72 4.11 0.47 B:587 THR 8.39 1.23 7.75 0.63 8.65 1.32 8.48 1.37 9.33 0.78 B:588 PHE 5.99 1.45 7.14 0.56 5.70 1.47 5.97 1.75 5.36 0.89 B:589 ILE 4.55 0.96 5.96 0.16 4.17 0.70 4.14 0.79 4.24 0.30 B:590 LYS 5.06 1.03 6.42 0.46 4.76 0.86 4.72 0.93 4.90 0.52 B:591 ILE 9.51 1.38 8.01 0.47 9.91 1.26 9.78 1.35 10.27 0.88 B:592 ALA 5.27 0.90 5.61 0.70 5.04 0.95 5.14 1.01 4.58 0.00 B:593 GLN 4.08 0.65 4.34 0.49 4.00 0.67 3.94 0.76 4.20 0.07 B:594 LYS 4.27 0.69 4.38 0.34 4.24 0.75 4.17 0.81 4.48 0.37 B:595 CYS 6.61 1.19 5.89 0.44 7.02 1.28 7.03 1.39 6.93 0.00 B:596 ARG 4.20 0.92 5.69 0.27 3.90 0.68 3.82 0.71 4.21 0.44 B:597 ARG 4.17 0.92 5.77 0.24 3.85 0.63 3.79 0.68 4.11 0.22 B:598 HIS 6.04 1.36 7.50 0.86 5.63 1.17 5.61 1.25 5.67 0.96 B:599 PHE 6.89 1.04 6.94 0.46 6.88 1.13 6.91 1.30 6.84 0.87 B:600 VAL 4.48 0.86 4.87 0.91 4.35 0.80 4.39 0.92 4.22 0.06 B:601 GLN 4.38 0.87 5.37 0.65 4.07 0.68 4.03 0.75 4.19 0.34 B:602 VAL 4.25 0.77 4.75 0.48 4.08 0.78 4.05 0.86 4.16 0.40 B:603 GLN 6.56 1.12 5.23 0.33 6.97 0.94 6.90 0.99 7.20 0.67 B:604 VAL 3.94 0.63 4.62 0.23 3.72 0.56 3.66 0.61 3.88 0.34 B:605 GLY 3.53 0.31 3.69 0.29 3.30 0.14 3.30 0.14 nan nan B:606 GLU 4.68 0.75 4.45 0.33 4.77 0.84 4.71 0.90 4.92 0.60 B:607 VAL 3.88 0.61 4.49 0.50 3.67 0.49 3.59 0.50 3.94 0.33 B:608 MET 4.46 0.94 5.59 0.59 4.11 0.74 4.07 0.79 4.24 0.51 B:609 PRO 4.82 1.08 6.03 0.50 4.34 0.84 4.33 0.98 4.37 0.39 B:610 PHE 6.80 1.17 7.43 0.43 6.65 1.25 6.76 1.39 6.50 1.01 B:611 ILE 4.64 0.93 5.62 0.53 4.38 0.83 4.39 0.95 4.37 0.36 B:612 ASP 4.47 0.80 5.25 0.23 4.09 0.70 4.14 0.78 3.95 0.34 B:613 GLU 4.55 0.79 5.15 0.41 4.33 0.78 4.38 0.90 4.19 0.19 B:614 ILE 5.26 0.78 5.61 0.20 5.17 0.84 5.18 0.89 5.12 0.68 B:615 LEU 3.93 0.72 4.66 0.43 3.73 0.65 3.66 0.70 3.91 0.43 B:616 ASN 3.98 0.72 4.37 0.59 3.83 0.71 3.76 0.77 4.09 0.28 B:617 ASN 4.57 0.81 5.12 0.40 4.36 0.83 4.45 0.90 3.97 0.08 B:618 ILE 4.47 0.95 5.90 0.33 4.09 0.66 4.05 0.72 4.20 0.42 B:619 ASN 4.02 0.73 4.84 0.33 3.69 0.58 3.65 0.64 3.85 0.08 B:620 THR 3.99 0.54 4.53 0.25 3.77 0.47 3.74 0.50 3.92 0.27 B:621 ILE 5.39 0.68 5.89 0.43 5.26 0.68 5.19 0.71 5.43 0.53 B:622 ILE 5.06 0.98 5.76 0.73 4.87 0.95 4.88 1.04 4.85 0.64 B:623 CYS 3.99 0.68 4.11 0.69 3.92 0.66 3.95 0.71 3.77 0.00 B:624 ASP 4.12 0.58 4.31 0.21 4.02 0.67 4.01 0.77 4.06 0.17 B:625 LEU 6.03 1.01 4.56 0.69 6.42 0.66 6.33 0.70 6.68 0.44 B:626 GLN 4.15 0.78 5.07 0.33 3.87 0.64 3.84 0.70 3.97 0.36 B:627 PRO 3.68 0.46 4.20 0.40 3.47 0.27 3.34 0.21 3.78 0.06 B:628 GLN 3.68 0.44 3.99 0.40 3.59 0.40 3.51 0.42 3.83 0.20 B:629 GLN 5.36 0.83 4.58 0.39 5.60 0.78 5.60 0.89 5.63 0.16 B:630 VAL 4.16 0.76 4.25 0.87 4.13 0.73 4.09 0.81 4.26 0.32