# chain residue all-atom MC-atom SC-atom SC-polar-atom SC-nonpolar-atom 1:1 MET 3.56 0.35 3.92 0.26 3.46 0.30 3.38 0.25 3.81 0.24 1:2 ARG 3.68 0.46 4.36 0.21 3.55 0.37 3.45 0.33 3.94 0.23 1:3 GLY 3.63 0.31 3.84 0.27 3.37 0.02 3.37 0.02 nan nan 1:4 SER 3.99 0.54 4.31 0.44 3.80 0.51 3.75 0.53 4.07 0.00 1:5 HIS 3.73 0.50 4.25 0.55 3.58 0.38 3.52 0.41 3.73 0.18 1:6 HIS 3.75 0.46 4.33 0.28 3.59 0.35 3.51 0.37 3.78 0.20 1:7 HIS 3.72 0.46 4.28 0.41 3.56 0.34 3.46 0.31 3.83 0.25 1:8 HIS 3.73 0.51 4.29 0.44 3.56 0.41 3.48 0.41 3.77 0.33 1:9 HIS 3.63 0.46 4.18 0.48 3.47 0.32 3.40 0.32 3.64 0.22 1:10 HIS 3.63 0.33 3.98 0.28 3.53 0.27 3.43 0.24 3.77 0.19 1:11 GLY 3.66 0.34 3.90 0.23 3.35 0.16 3.35 0.16 nan nan 1:12 SER 3.60 0.44 4.06 0.34 3.34 0.23 3.28 0.20 3.66 0.00 1:13 GLU 3.73 0.49 4.24 0.37 3.54 0.37 3.45 0.36 3.77 0.29 1:14 PRO 3.72 0.43 4.09 0.45 3.57 0.32 3.44 0.27 3.88 0.15 1:15 THR 3.72 0.47 4.30 0.18 3.48 0.31 3.39 0.26 3.84 0.24 1:16 THR 3.74 0.44 4.16 0.45 3.58 0.31 3.50 0.29 3.90 0.19 1:17 PRO 4.02 0.48 4.56 0.20 3.80 0.37 3.68 0.38 4.08 0.09 1:18 THR 3.70 0.50 4.26 0.41 3.48 0.33 3.42 0.33 3.75 0.14 1:19 THR 4.27 0.63 5.03 0.21 3.96 0.45 3.92 0.48 4.13 0.22 1:20 ASN 4.29 0.75 5.23 0.14 3.91 0.52 3.92 0.57 3.89 0.17 1:21 LEU 5.65 0.82 6.11 0.28 5.53 0.87 5.54 0.95 5.50 0.61 1:22 LYS 4.59 1.14 6.17 0.60 4.23 0.91 4.14 0.96 4.56 0.58 1:23 ILE 5.46 0.74 6.00 0.30 5.32 0.75 5.32 0.85 5.31 0.35 1:24 TYR 9.83 1.78 7.25 0.41 10.44 1.39 10.17 1.56 10.82 0.97 1:25 LYS 4.96 1.23 6.54 0.40 4.61 1.07 4.56 1.19 4.81 0.41 1:26 VAL 6.33 0.86 5.60 0.63 6.57 0.78 6.57 0.85 6.59 0.51 1:27 ASP 4.49 0.81 4.42 0.72 4.52 0.85 4.56 0.98 4.42 0.17 1:28 ASP 4.93 1.09 5.93 0.78 4.42 0.84 4.48 0.95 4.25 0.28 1:29 LEU 6.72 1.02 6.34 0.64 6.82 1.07 6.80 1.17 6.87 0.76 1:30 GLN 4.99 1.12 6.18 0.49 4.63 1.01 4.67 1.10 4.51 0.58 1:31 LYS 4.22 0.75 4.60 0.47 4.14 0.78 4.07 0.85 4.39 0.39 1:32 ILE 5.97 0.71 5.46 0.30 6.10 0.72 6.04 0.83 6.25 0.19 1:33 ASN 3.79 0.39 3.80 0.32 3.78 0.42 3.73 0.46 3.98 0.08 1:34 GLY 3.76 0.30 3.95 0.26 3.51 0.13 3.51 0.13 nan nan 1:35 ILE 4.77 0.91 5.91 0.83 4.47 0.66 4.46 0.75 4.51 0.31 1:36 TRP 5.16 1.46 7.31 0.91 4.73 1.14 4.72 1.35 4.74 0.79 1:37 GLN 8.75 1.03 9.37 0.52 8.55 1.07 8.46 1.17 8.88 0.56 1:38 VAL 10.47 0.87 10.54 0.19 10.45 1.00 10.44 1.12 10.49 0.46 1:39 ARG 6.46 1.84 8.20 0.74 6.11 1.79 6.00 1.89 6.55 1.22 1:40 ASN 7.78 0.89 7.20 0.47 8.01 0.91 7.99 0.98 8.08 0.56 1:41 ASN 4.44 0.76 4.82 0.68 4.29 0.74 4.36 0.82 4.01 0.01 1:42 ILE 4.55 0.74 4.73 0.30 4.50 0.82 4.50 0.92 4.50 0.44 1:43 LEU 7.34 0.99 7.14 0.67 7.39 1.05 7.35 1.16 7.51 0.64 1:44 VAL 7.90 1.16 6.71 0.74 8.29 1.00 8.23 1.08 8.48 0.65 1:45 PRO 4.37 0.79 4.57 0.81 4.28 0.77 4.22 0.82 4.43 0.58 1:46 THR 4.35 0.89 5.32 0.17 3.97 0.75 3.96 0.83 3.99 0.23 1:47 ASP 4.07 0.58 4.72 0.19 3.75 0.42 3.71 0.47 3.87 0.16 1:48 PHE 8.04 2.13 5.38 0.45 8.71 1.84 8.31 2.12 9.22 1.25 1:49 THR 4.36 0.81 5.17 0.63 4.03 0.64 3.99 0.68 4.22 0.36 1:50 TRP 4.15 0.72 5.17 0.41 3.94 0.58 3.96 0.76 3.92 0.23 1:51 VAL 3.97 0.56 4.61 0.29 3.75 0.46 3.69 0.51 3.94 0.20 1:52 ASP 5.06 0.94 6.00 0.63 4.58 0.69 4.65 0.78 4.40 0.10 1:53 ASN 6.08 1.48 7.70 1.02 5.43 1.07 5.41 1.15 5.51 0.68 1:54 GLY 8.77 0.60 9.05 0.54 8.40 0.48 8.40 0.48 nan nan 1:55 ILE 11.76 1.01 10.87 0.19 12.00 1.00 11.90 1.08 12.29 0.63 1:56 ALA 7.95 0.95 8.62 0.48 7.51 0.92 7.57 1.00 7.20 0.00 1:57 ALA 8.03 0.84 7.58 0.87 8.33 0.67 8.39 0.72 8.04 0.00 1:58 ASP 4.61 0.98 5.07 0.78 4.39 0.98 4.47 1.09 4.13 0.48 1:59 ASP 6.76 0.81 6.10 0.10 7.09 0.81 6.98 0.91 7.41 0.03 1:60 VAL 8.30 1.48 6.36 0.72 8.95 1.04 8.88 1.17 9.17 0.46 1:61 ILE 5.94 1.17 7.29 0.69 5.58 1.00 5.59 1.10 5.56 0.63 1:62 GLU 6.57 0.93 7.33 0.21 6.30 0.94 6.39 1.06 6.06 0.39 1:63 VAL 6.93 0.77 6.44 0.99 7.09 0.61 7.08 0.68 7.12 0.32 1:64 THR 4.40 0.86 5.25 0.53 4.06 0.72 4.09 0.80 3.94 0.02 1:65 SER 3.87 0.61 4.33 0.46 3.60 0.52 3.58 0.56 3.73 0.00 1:66 ASN 3.71 0.53 4.06 0.58 3.56 0.44 3.49 0.45 3.84 0.26 1:67 GLY 4.43 0.57 4.26 0.32 4.67 0.73 4.67 0.73 nan nan 1:68 THR 4.29 0.77 5.06 0.59 3.98 0.59 3.92 0.65 4.21 0.06 1:69 ARG 4.37 0.70 4.48 0.37 4.35 0.75 4.32 0.81 4.48 0.37 1:70 THR 4.44 0.98 4.88 0.75 4.27 1.00 4.30 1.10 4.16 0.41 1:71 SER 4.28 0.79 4.32 0.68 4.25 0.84 4.22 0.90 4.45 0.00 1:72 ASP 4.07 0.69 4.26 0.48 3.97 0.75 3.97 0.84 3.96 0.37 1:73 GLN 4.09 0.82 4.93 0.41 3.83 0.74 3.79 0.83 3.95 0.27 1:74 VAL 4.19 0.81 5.35 0.25 3.80 0.52 3.76 0.58 3.94 0.24 1:75 LEU 6.82 1.05 5.59 0.59 7.15 0.90 7.04 0.99 7.44 0.49 1:76 GLN 4.19 0.76 4.99 0.35 3.94 0.68 3.91 0.76 4.06 0.20 1:77 LYS 4.48 0.89 4.61 0.71 4.45 0.92 4.38 0.98 4.69 0.64 1:78 GLY 3.83 0.70 3.80 0.53 3.87 0.86 3.87 0.86 nan nan 1:79 GLY 4.16 0.45 4.33 0.26 3.94 0.55 3.94 0.55 nan nan 1:80 TYR 4.82 1.10 5.78 0.48 4.59 1.08 4.52 1.24 4.69 0.80 1:81 PHE 9.63 1.54 8.78 0.69 9.85 1.62 9.43 1.80 10.38 1.14 1:82 VAL 8.24 1.09 9.42 0.42 7.85 0.96 7.88 1.08 7.74 0.42 1:83 ILE 10.02 1.26 8.76 0.86 10.36 1.14 10.30 1.19 10.50 0.96 1:84 ASN 5.31 1.37 6.72 0.45 4.75 1.20 4.77 1.31 4.69 0.52 1:85 PRO 4.60 0.68 4.90 0.69 4.48 0.64 4.45 0.72 4.56 0.37 1:86 ASN 3.80 0.59 4.31 0.48 3.60 0.50 3.55 0.55 3.78 0.14 1:87 ASN 4.80 0.78 5.43 0.44 4.55 0.75 4.52 0.80 4.68 0.44 1:88 VAL 5.54 1.02 4.93 0.76 5.74 1.01 5.78 1.08 5.61 0.74 1:89 LYS 4.26 0.74 4.26 0.63 4.26 0.76 4.20 0.84 4.44 0.32 1:90 SER 4.29 0.93 5.13 0.51 3.81 0.76 3.83 0.82 3.68 0.00 1:91 VAL 4.97 1.01 4.41 0.65 5.16 1.04 5.13 1.12 5.25 0.76 1:92 GLY 4.46 0.59 4.53 0.21 4.37 0.86 4.37 0.86 nan nan 1:93 THR 3.92 0.75 4.90 0.53 3.52 0.35 3.44 0.31 3.87 0.25 1:94 PRO 4.40 0.77 4.85 0.55 4.23 0.78 4.22 0.91 4.24 0.31 1:95 MET 4.28 0.87 5.19 0.37 4.01 0.79 3.96 0.85 4.16 0.51 1:96 LYS 3.85 0.64 4.28 0.50 3.75 0.63 3.67 0.68 4.04 0.23 1:97 GLY 4.10 0.76 4.02 0.57 4.21 0.95 4.21 0.95 nan nan 1:98 SER 5.25 0.66 4.96 0.39 5.41 0.72 5.37 0.77 5.68 0.00 1:99 GLY 3.70 0.35 3.75 0.41 3.63 0.25 3.63 0.25 nan nan 1:100 GLY 3.91 0.54 3.96 0.26 3.85 0.76 3.85 0.76 nan nan 1:101 LEU 4.42 0.68 4.90 0.46 4.30 0.67 4.26 0.76 4.39 0.32 1:102 SER 4.70 0.95 5.66 0.58 4.16 0.63 4.16 0.68 4.13 0.00 1:103 TRP 7.35 0.66 7.16 0.41 7.39 0.69 7.15 0.77 7.68 0.42 1:104 ALA 7.16 0.79 7.87 0.37 6.69 0.63 6.73 0.68 6.50 0.00 1:105 GLN 5.20 1.11 6.36 0.49 4.84 1.00 4.85 1.10 4.81 0.50 1:106 VAL 7.87 0.69 7.33 0.15 8.05 0.71 7.98 0.80 8.24 0.18 1:107 ASN 4.90 1.17 6.28 0.22 4.34 0.91 4.36 0.99 4.25 0.42 1:108 PHE 8.62 1.75 6.17 0.91 9.23 1.32 8.76 1.41 9.83 0.88 1:109 THR 4.59 0.93 4.47 0.86 4.64 0.95 4.61 1.05 4.76 0.22 1:110 THR 4.05 0.62 4.08 0.51 4.04 0.66 4.02 0.71 4.12 0.38 1:111 GLY 4.65 0.67 4.43 0.37 4.94 0.85 4.94 0.85 nan nan 1:112 GLY 4.44 0.70 4.80 0.61 3.97 0.50 3.97 0.50 nan nan 1:113 ASN 4.70 0.90 5.64 0.64 4.32 0.69 4.31 0.75 4.38 0.39 1:114 VAL 8.78 1.05 8.51 0.61 8.87 1.15 8.77 1.24 9.16 0.76 1:115 TRP 6.32 1.76 9.20 0.77 5.74 1.26 5.98 1.50 5.45 0.80 1:116 LEU 10.99 1.27 9.67 0.70 11.34 1.15 11.22 1.24 11.68 0.76 1:117 ASN 7.13 1.48 8.13 0.80 6.73 1.49 6.76 1.63 6.58 0.69 1:118 THR 5.44 0.94 5.29 1.17 5.50 0.82 5.57 0.90 5.21 0.23 1:119 THR 4.06 0.70 4.20 0.56 4.01 0.74 3.99 0.83 4.08 0.09 1:120 SER 4.37 0.67 4.69 0.55 4.19 0.67 4.11 0.69 4.68 0.00 1:121 LYS 4.08 0.82 5.14 0.80 3.84 0.61 3.74 0.63 4.20 0.32 1:122 ASP 4.86 1.07 5.92 0.85 4.33 0.71 4.34 0.78 4.32 0.45 1:123 ASN 7.53 0.83 7.87 0.83 7.39 0.79 7.31 0.84 7.73 0.38 1:124 LEU 8.42 0.90 9.16 0.28 8.23 0.91 8.23 1.03 8.21 0.46 1:125 LEU 5.61 1.37 7.44 0.26 5.13 1.11 5.18 1.22 4.97 0.73 1:126 TYR 5.44 1.36 7.09 0.54 5.05 1.20 5.22 1.40 4.82 0.76 1:127 GLY 6.22 1.05 5.69 1.03 6.92 0.55 6.92 0.55 nan nan 1:128 LYS 4.13 0.74 4.25 0.67 4.10 0.75 4.05 0.84 4.30 0.17