# chain residue all-atom MC-atom SC-atom SC-polar-atom SC-nonpolar-atom S:25 GLY 3.40 0.28 3.66 0.20 3.19 0.12 3.19 0.12 nan nan S:26 ALA 3.47 0.36 3.83 0.26 3.23 0.19 3.16 0.11 3.59 0.00 S:27 MET 3.61 0.33 3.91 0.30 3.51 0.28 3.42 0.20 3.84 0.25 S:28 GLY 3.51 0.31 3.71 0.27 3.24 0.05 3.24 0.05 nan nan S:29 SER 3.65 0.40 4.03 0.30 3.44 0.26 3.39 0.26 3.72 0.00 S:30 ARG 3.96 0.64 4.85 0.21 3.78 0.54 3.69 0.53 4.15 0.42 S:31 ASP 4.00 0.65 4.82 0.21 3.59 0.34 3.54 0.38 3.75 0.04 S:32 THR 4.87 1.05 6.16 0.58 4.35 0.69 4.33 0.74 4.43 0.43 S:33 MET 5.45 1.24 7.00 0.13 4.97 1.02 4.97 1.07 4.98 0.83 S:34 PHE 4.66 1.12 6.35 0.27 4.24 0.82 4.37 1.01 4.07 0.42 S:35 THR 6.58 1.07 7.79 0.45 6.09 0.84 6.11 0.92 6.05 0.37 S:36 LYS 5.65 1.56 7.94 0.27 5.14 1.24 5.12 1.35 5.18 0.71 S:37 ILE 10.26 1.03 9.01 0.46 10.59 0.88 10.45 0.98 10.99 0.22 S:38 PHE 6.88 1.10 8.40 0.30 6.49 0.87 6.52 1.08 6.46 0.47 S:39 VAL 9.98 1.39 8.52 0.60 10.46 1.23 10.30 1.28 10.94 0.88 S:40 GLY 5.76 0.61 5.71 0.59 5.82 0.64 5.82 0.64 nan nan S:41 GLY 4.40 0.46 4.65 0.30 4.05 0.43 4.05 0.43 nan nan S:42 LEU 7.76 1.68 5.51 0.42 8.36 1.34 8.24 1.46 8.69 0.85 S:43 PRO 5.64 0.72 5.93 0.45 5.52 0.77 5.45 0.85 5.69 0.51 S:44 TYR 4.12 0.71 4.69 0.59 3.99 0.67 3.96 0.84 4.03 0.30 S:45 HIS 3.85 0.52 4.42 0.32 3.68 0.44 3.65 0.52 3.74 0.08 S:46 THR 6.38 0.73 5.81 0.14 6.61 0.74 6.53 0.81 6.94 0.02 S:47 SER 4.91 0.85 5.77 0.63 4.42 0.50 4.39 0.53 4.55 0.00 S:48 ASP 4.67 0.91 5.53 0.18 4.25 0.82 4.28 0.92 4.14 0.38 S:49 LYS 3.96 0.65 4.84 0.25 3.77 0.54 3.70 0.58 4.01 0.28 S:50 THR 4.69 0.77 5.36 0.32 4.42 0.73 4.40 0.80 4.51 0.34 S:51 LEU 9.22 1.44 7.55 0.40 9.66 1.29 9.47 1.37 10.18 0.83 S:52 HIS 4.87 1.19 6.28 0.26 4.43 1.01 4.50 1.17 4.27 0.41 S:53 GLU 4.13 0.73 4.81 0.53 3.89 0.63 3.87 0.71 3.95 0.37 S:54 TYR 4.81 0.93 5.10 0.24 4.74 1.01 4.64 1.20 4.88 0.64 S:55 PHE 9.00 1.48 7.03 0.33 9.50 1.22 9.22 1.38 9.86 0.85 S:56 GLU 4.50 0.93 4.84 0.97 4.37 0.88 4.42 1.00 4.26 0.37 S:57 GLN 3.98 0.59 4.32 0.38 3.88 0.61 3.84 0.66 3.98 0.36 S:58 PHE 5.56 1.05 5.14 0.40 5.66 1.13 5.64 1.30 5.68 0.87 S:59 GLY 4.31 0.45 4.44 0.21 4.14 0.60 4.14 0.60 nan nan S:60 ASP 4.16 0.82 5.08 0.65 3.70 0.39 3.67 0.43 3.78 0.20 S:61 ILE 5.80 1.01 4.67 0.62 6.10 0.88 6.06 0.99 6.20 0.44 S:62 GLU 4.22 0.78 4.19 0.68 4.23 0.81 4.22 0.92 4.27 0.42 S:63 GLU 4.53 0.80 5.27 0.67 4.25 0.65 4.25 0.76 4.28 0.02 S:64 ALA 5.12 0.78 4.87 0.39 5.28 0.92 5.28 1.00 5.28 0.00 S:65 VAL 4.70 1.07 5.98 0.46 4.27 0.85 4.30 0.97 4.16 0.24 S:66 VAL 6.82 1.04 5.73 0.55 7.18 0.91 7.16 1.02 7.23 0.36 S:67 ILE 4.80 1.03 6.03 0.49 4.47 0.88 4.46 0.99 4.50 0.46 S:68 THR 4.77 0.80 5.29 0.41 4.56 0.83 4.52 0.91 4.69 0.33 S:69 ASP 5.09 0.94 5.71 0.43 4.77 0.97 4.83 1.08 4.59 0.49 S:70 ARG 3.77 0.55 4.27 0.48 3.67 0.51 3.60 0.55 3.93 0.07 S:71 ASN 3.66 0.45 4.00 0.43 3.52 0.38 3.47 0.41 3.75 0.06 S:72 THR 4.21 0.68 4.29 0.58 4.18 0.72 4.17 0.78 4.20 0.36 S:73 GLN 4.28 0.76 4.43 0.62 4.23 0.79 4.28 0.89 4.05 0.17 S:74 LYS 4.42 0.90 5.55 0.71 4.16 0.72 4.11 0.77 4.37 0.43 S:75 SER 6.27 0.69 6.46 0.49 6.17 0.76 6.10 0.81 6.56 0.00 S:76 ARG 5.00 1.23 6.18 0.61 4.76 1.19 4.67 1.25 5.13 0.76 S:77 GLY 5.50 0.75 5.56 0.43 5.43 1.02 5.43 1.02 nan nan S:78 TYR 6.18 1.35 7.87 0.64 5.78 1.16 5.82 1.36 5.74 0.77 S:79 GLY 8.92 0.72 8.85 0.56 9.01 0.88 9.01 0.88 nan nan S:80 PHE 5.55 1.46 7.73 0.30 5.01 1.08 5.30 1.29 4.64 0.56 S:81 VAL 10.02 0.98 9.23 0.43 10.29 0.96 10.16 1.06 10.67 0.35 S:82 THR 6.19 1.07 7.34 0.29 5.73 0.91 5.77 1.00 5.54 0.25 S:83 MET 7.96 1.10 6.94 0.93 8.28 0.95 8.21 0.96 8.50 0.87 S:84 LYS 4.24 0.86 4.74 0.90 4.12 0.80 4.08 0.90 4.29 0.25 S:85 ASP 4.75 1.11 5.86 0.69 4.19 0.84 4.25 0.95 4.01 0.28 S:86 ARG 4.15 0.90 5.35 0.24 3.90 0.78 3.86 0.84 4.07 0.37 S:87 ALA 4.04 0.64 4.67 0.16 3.62 0.47 3.61 0.52 3.63 0.00 S:88 SER 5.43 0.88 6.04 0.71 5.07 0.76 5.01 0.80 5.45 0.00 S:89 ALA 7.65 0.61 7.57 0.29 7.70 0.75 7.67 0.82 7.81 0.00 S:90 GLU 4.74 0.97 5.85 0.32 4.34 0.80 4.36 0.91 4.27 0.39 S:91 ARG 4.28 0.92 5.49 0.43 4.04 0.80 3.98 0.85 4.28 0.44 S:92 ALA 7.63 0.92 7.00 0.14 8.04 0.98 7.96 1.05 8.43 0.00 S:93 CYS 5.26 0.94 5.27 1.00 5.25 0.91 5.28 0.98 5.07 0.00 S:94 LYS 3.95 0.67 4.21 0.69 3.89 0.65 3.87 0.72 3.97 0.23 S:95 ASP 4.43 0.88 5.29 0.70 3.99 0.59 3.98 0.67 4.03 0.12 S:96 PRO 4.23 0.85 5.35 0.20 3.79 0.55 3.73 0.65 3.93 0.07 S:97 ASN 4.54 0.71 4.82 0.52 4.43 0.75 4.45 0.83 4.34 0.20 S:98 PRO 5.81 1.10 5.45 0.52 5.95 1.22 5.90 1.36 6.09 0.80 S:99 ILE 4.04 0.66 4.55 0.46 3.90 0.63 3.87 0.73 4.00 0.15 S:100 ILE 6.12 1.08 5.49 0.36 6.29 1.15 6.27 1.24 6.34 0.85 S:101 ASP 4.11 0.61 3.92 0.23 4.20 0.71 4.09 0.78 4.52 0.20 S:102 GLY 3.66 0.35 3.80 0.29 3.47 0.32 3.47 0.32 nan nan S:103 ARG 4.46 0.98 5.45 0.47 4.26 0.93 4.18 0.98 4.57 0.63 S:104 LYS 4.05 0.70 4.76 0.36 3.89 0.66 3.83 0.71 4.10 0.35 S:105 ALA 6.92 0.79 6.37 0.06 7.29 0.83 7.23 0.89 7.64 0.00 S:106 ASN 4.86 1.14 6.21 0.35 4.32 0.87 4.32 0.96 4.33 0.31 S:107 VAL 7.70 1.19 6.22 0.68 8.19 0.87 8.12 0.97 8.39 0.39 S:108 ASN 5.14 1.24 6.50 0.68 4.60 0.98 4.71 1.06 4.15 0.22 S:109 LEU 6.30 1.08 6.84 0.44 6.16 1.16 6.18 1.25 6.10 0.84 S:110 ALA 5.28 1.04 5.11 1.13 5.40 0.95 5.49 1.02 4.98 0.00 S:111 TYR 4.36 0.85 4.25 0.53 4.38 0.91 4.21 1.06 4.63 0.54 S:112 LEU 4.24 0.72 4.25 0.71 4.24 0.72 4.20 0.81 4.33 0.35 S:113 GLY 4.15 0.57 4.34 0.23 3.91 0.75 3.91 0.75 nan nan S:114 ALA 4.41 0.62 4.33 0.48 4.46 0.69 4.46 0.76 4.44 0.00 S:115 LYS 3.91 0.65 4.64 0.36 3.75 0.58 3.66 0.62 4.05 0.18 S:116 PRO 4.26 0.59 4.58 0.50 4.13 0.57 4.09 0.65 4.24 0.29 S:117 ARG 4.25 0.72 4.56 0.15 4.19 0.77 4.10 0.78 4.54 0.60 S:118 THR 3.65 0.41 4.17 0.27 3.44 0.24 3.36 0.19 3.79 0.11 S:119 ASN 4.03 0.65 4.73 0.25 3.75 0.54 3.73 0.60 3.82 0.17 S:120 VAL 4.04 0.56 4.43 0.56 3.90 0.50 3.85 0.54 4.05 0.32 S:121 GLN 3.62 0.45 4.14 0.34 3.47 0.36 3.41 0.37 3.72 0.11