# chain residue all-atom MC-atom SC-atom SC-polar-atom SC-nonpolar-atom X:1 GLY 3.27 0.27 3.27 0.27 nan nan nan nan nan nan X:2 LEU 4.88 1.16 3.88 0.46 5.87 0.70 nan nan 5.87 0.70 X:3 SER 3.88 0.68 4.22 0.59 3.20 0.03 3.23 0.00 3.16 0.00 X:4 ASP 3.55 0.37 3.90 0.15 3.20 0.12 3.14 0.15 3.25 0.01 X:5 GLY 3.58 0.25 3.58 0.25 nan nan nan nan nan nan X:6 GLU 4.50 0.95 5.24 0.81 3.91 0.56 3.52 0.42 4.17 0.48 X:7 TRP 5.32 0.84 5.19 0.56 5.37 0.92 3.97 0.00 5.52 0.84 X:8 GLN 3.68 0.49 4.16 0.23 3.30 0.25 3.01 0.00 3.49 0.11 X:9 GLN 4.44 0.90 5.28 0.43 3.76 0.53 3.35 0.09 4.03 0.52 X:10 VAL 7.36 0.76 6.77 0.39 8.16 0.22 nan nan 8.16 0.22 X:11 LEU 4.04 0.61 4.27 0.66 3.81 0.45 nan nan 3.81 0.45 X:12 ASN 3.81 0.54 4.27 0.28 3.35 0.29 3.09 0.09 3.61 0.16 X:13 VAL 6.22 0.64 6.04 0.32 6.47 0.85 nan nan 6.47 0.85 X:14 TRP 6.21 1.20 5.46 0.50 6.51 1.26 5.04 0.00 6.67 1.23 X:15 GLY 3.63 0.30 3.63 0.30 nan nan nan nan nan nan X:16 LYS 3.91 0.32 4.11 0.26 3.75 0.26 3.42 0.00 3.83 0.23 X:17 VAL 6.76 0.90 6.01 0.27 7.76 0.28 nan nan 7.76 0.28 X:18 GLU 3.78 0.69 4.16 0.82 3.47 0.31 3.16 0.23 3.68 0.14 X:19 ALA 3.46 0.37 3.57 0.32 3.00 0.00 nan nan 3.00 0.00 X:20 ASP 3.95 0.74 4.60 0.49 3.31 0.16 3.16 0.07 3.46 0.03 X:21 ILE 4.53 0.86 5.17 0.71 3.90 0.41 nan nan 3.90 0.41 X:22 ALA 4.45 0.71 4.74 0.46 3.29 0.00 nan nan 3.29 0.00 X:23 GLY 4.39 0.37 4.39 0.37 nan nan nan nan nan nan X:24 HIS 6.30 1.11 7.03 0.90 5.81 0.95 5.19 0.04 6.11 1.04 X:25 GLY 8.53 0.22 8.53 0.22 nan nan nan nan nan nan X:26 GLN 5.90 0.99 6.75 0.57 5.22 0.69 4.61 0.51 5.63 0.44 X:27 GLU 4.34 0.78 5.08 0.40 3.75 0.42 3.41 0.08 3.98 0.40 X:28 VAL 7.59 0.82 6.91 0.31 8.49 0.18 nan nan 8.49 0.18 X:29 LEU 7.61 0.49 7.69 0.32 7.52 0.60 nan nan 7.52 0.60 X:30 ILE 5.15 0.68 5.56 0.48 4.73 0.59 nan nan 4.73 0.59 X:31 ARG 4.18 0.68 4.85 0.34 3.80 0.51 3.41 0.39 4.09 0.38 X:32 LEU 6.81 0.33 6.56 0.21 7.06 0.21 nan nan 7.06 0.21 X:33 PHE 6.70 1.24 5.51 1.04 7.39 0.72 nan nan 7.39 0.72 X:34 THR 3.85 0.47 3.95 0.59 3.72 0.10 3.69 0.00 3.73 0.12 X:35 GLY 3.77 0.31 3.77 0.31 nan nan nan nan nan nan X:36 HIS 4.51 0.76 5.11 0.44 4.11 0.66 3.62 0.12 4.36 0.67 X:37 PRO 3.68 0.45 4.03 0.24 3.22 0.16 nan nan 3.22 0.16 X:38 GLU 3.76 0.41 4.12 0.32 3.47 0.18 3.35 0.04 3.54 0.20 X:39 THR 6.34 0.39 6.05 0.21 6.72 0.19 6.98 0.00 6.59 0.07 X:40 LEU 5.74 0.81 6.35 0.16 5.13 0.75 nan nan 5.13 0.75 X:41 GLU 3.75 0.70 4.30 0.71 3.31 0.16 3.19 0.15 3.39 0.10 X:42 LYS 3.85 0.47 3.87 0.42 3.85 0.50 3.18 0.00 4.01 0.42 X:43 PHE 4.67 0.51 4.80 0.46 4.59 0.52 nan nan 4.59 0.52 X:44 ASP 3.52 0.35 3.80 0.24 3.23 0.14 3.14 0.15 3.32 0.07 X:45 LYS 3.56 0.28 3.74 0.23 3.41 0.22 3.19 0.00 3.47 0.21 X:46 PHE 6.03 0.50 5.71 0.37 6.22 0.47 nan nan 6.22 0.47 X:47 LYS 3.81 0.50 4.15 0.51 3.53 0.26 3.13 0.00 3.63 0.18 X:48 HIS 3.54 0.29 3.81 0.26 3.36 0.13 3.40 0.13 3.35 0.12 X:49 LEU 5.45 0.65 5.17 0.45 5.72 0.69 nan nan 5.72 0.69 X:50 LYS 3.55 0.56 3.95 0.64 3.24 0.12 3.14 0.00 3.26 0.12 X:51 THR 3.95 0.65 4.38 0.52 3.38 0.25 3.66 0.00 3.25 0.20 X:52 GLU 3.62 0.39 3.98 0.25 3.33 0.19 3.14 0.11 3.45 0.12 X:53 ALA 3.49 0.30 3.62 0.14 2.96 0.00 nan nan 2.96 0.00 X:54 GLU 3.90 0.59 4.38 0.37 3.52 0.43 3.36 0.43 3.63 0.39 X:55 MET 6.13 0.81 6.42 0.24 5.85 1.05 5.57 0.00 5.94 1.20 X:56 LYS 3.83 0.69 4.32 0.75 3.43 0.22 3.20 0.00 3.48 0.22 X:57 ALA 3.50 0.33 3.58 0.32 3.16 0.00 nan nan 3.16 0.00 X:58 SER 4.23 0.54 4.33 0.64 4.02 0.01 4.01 0.00 4.03 0.00 X:59 GLU 3.52 0.35 3.88 0.16 3.23 0.11 3.11 0.04 3.30 0.07 X:60 ASP 4.01 0.79 4.60 0.70 3.41 0.22 3.20 0.04 3.62 0.11 X:61 LEU 7.30 0.86 6.68 0.61 7.92 0.58 nan nan 7.92 0.58 X:62 LYS 4.59 0.96 5.41 0.61 3.94 0.64 2.99 0.00 4.17 0.48 X:63 LYS 3.73 0.58 4.29 0.22 3.29 0.35 2.89 0.00 3.39 0.33 X:64 HIS 4.67 0.88 5.54 0.43 4.08 0.56 3.64 0.18 4.30 0.55 X:65 GLY 7.10 0.22 7.10 0.22 nan nan nan nan nan nan X:66 THR 4.51 0.80 5.12 0.43 3.71 0.36 3.88 0.00 3.62 0.41 X:67 VAL 3.75 0.46 4.06 0.29 3.34 0.29 nan nan 3.34 0.29 X:68 VAL 4.85 0.22 4.86 0.14 4.84 0.29 nan nan 4.84 0.29 X:69 LEU 6.98 1.14 5.94 0.34 8.03 0.54 nan nan 8.03 0.54 X:70 THR 3.90 0.67 4.27 0.62 3.40 0.32 3.55 0.00 3.33 0.37 X:71 ALA 3.79 0.38 3.94 0.28 3.21 0.00 nan nan 3.21 0.00 X:72 LEU 6.53 0.94 5.83 0.54 7.23 0.70 nan nan 7.23 0.70 X:73 GLY 4.93 0.35 4.93 0.35 nan nan nan nan nan nan X:74 GLY 3.71 0.23 3.71 0.23 nan nan nan nan nan nan X:75 ILE 5.58 0.81 5.50 0.76 5.65 0.84 nan nan 5.65 0.84 X:76 LEU 7.65 1.20 6.60 0.44 8.69 0.69 nan nan 8.69 0.69 X:77 LYS 3.69 0.65 4.16 0.72 3.31 0.18 3.12 0.00 3.36 0.17 X:78 LYS 3.87 0.48 4.12 0.10 3.66 0.57 3.12 0.00 3.80 0.55 X:79 LYS 4.01 0.63 4.44 0.52 3.67 0.47 2.96 0.00 3.84 0.34 X:80 GLY 4.16 0.60 4.16 0.60 nan nan nan nan nan nan X:81 HIS 3.60 0.49 4.13 0.28 3.25 0.20 3.14 0.10 3.30 0.21 X:82 HIS 5.55 0.69 5.06 0.49 5.88 0.59 5.89 0.80 5.87 0.46 X:83 GLU 3.83 0.45 4.25 0.21 3.50 0.29 3.62 0.37 3.42 0.18 X:84 ALA 3.44 0.30 3.55 0.22 3.00 0.00 nan nan 3.00 0.00 X:85 GLU 3.82 0.38 3.88 0.25 3.77 0.45 3.81 0.65 3.75 0.23 X:86 LEU 6.28 0.53 5.99 0.38 6.57 0.49 nan nan 6.57 0.49 X:87 LYS 4.54 1.07 5.62 0.22 3.68 0.61 2.91 0.00 3.87 0.52 X:88 PRO 3.75 0.47 4.06 0.28 3.35 0.35 nan nan 3.35 0.35 X:89 LEU 4.46 0.75 4.92 0.64 3.99 0.55 nan nan 3.99 0.55 X:90 ALA 7.11 0.60 6.86 0.38 8.10 0.00 nan nan 8.10 0.00 X:91 GLN 4.14 0.73 4.62 0.69 3.75 0.49 3.25 0.07 4.08 0.36 X:92 SER 4.13 0.64 4.43 0.57 3.51 0.08 3.60 0.00 3.43 0.00 X:93 HIS 5.54 1.17 6.66 0.47 4.79 0.86 4.32 0.50 5.02 0.91 X:94 ALA 5.37 0.76 5.34 0.85 5.49 0.00 nan nan 5.49 0.00 X:95 THR 3.69 0.50 4.04 0.35 3.23 0.25 3.26 0.00 3.22 0.30 X:96 LYS 3.54 0.39 3.83 0.32 3.31 0.27 2.91 0.00 3.41 0.20 X:97 HIS 4.05 0.57 4.43 0.28 3.80 0.57 3.35 0.07 4.03 0.57 X:98 LYS 4.25 0.89 5.12 0.35 3.55 0.49 3.20 0.00 3.63 0.51 X:99 ILE 6.02 0.50 6.41 0.20 5.64 0.41 nan nan 5.64 0.41 X:100 PRO 4.83 0.71 5.33 0.39 4.16 0.43 nan nan 4.16 0.43 X:101 ILE 4.32 0.60 4.68 0.17 3.95 0.65 nan nan 3.95 0.65 X:102 LYS 4.02 0.92 4.91 0.65 3.31 0.20 2.93 0.00 3.40 0.09 X:103 TYR 5.24 1.00 6.25 0.22 4.74 0.85 3.19 0.00 4.96 0.65 X:104 LEU 6.45 0.20 6.43 0.13 6.48 0.24 nan nan 6.48 0.24 X:105 GLU 4.50 0.94 5.48 0.20 3.72 0.42 3.33 0.20 3.98 0.31 X:106 PHE 4.87 0.80 5.50 0.25 4.50 0.79 nan nan 4.50 0.79 X:107 ILE 6.75 0.28 6.83 0.29 6.66 0.24 nan nan 6.66 0.24 X:108 SER 6.51 0.46 6.42 0.50 6.68 0.28 6.96 0.00 6.41 0.00 X:109 ASP 3.78 0.65 4.31 0.51 3.25 0.12 3.20 0.15 3.29 0.02 X:110 ALA 5.75 0.59 5.69 0.64 6.01 0.00 nan nan 6.01 0.00 X:111 ILE 8.05 0.75 7.39 0.36 8.72 0.35 nan nan 8.72 0.35 X:112 ILE 4.84 0.71 5.24 0.44 4.44 0.71 nan nan 4.44 0.71 X:113 HIS 4.04 0.64 4.62 0.44 3.66 0.41 3.31 0.00 3.83 0.41 X:114 VAL 6.41 0.38 6.52 0.28 6.26 0.44 nan nan 6.26 0.44 X:115 LEU 7.98 1.07 7.05 0.58 8.91 0.45 nan nan 8.91 0.45 X:116 HIS 3.88 0.59 4.31 0.71 3.60 0.19 3.65 0.24 3.57 0.16 X:117 SER 3.75 0.41 3.90 0.34 3.45 0.38 3.07 0.00 3.83 0.00 X:118 LYS 4.07 0.42 4.00 0.41 4.12 0.43 3.45 0.00 4.29 0.29 X:119 HIS 4.46 0.49 4.50 0.31 4.43 0.58 4.14 0.43 4.58 0.59 X:120 PRO 3.47 0.37 3.67 0.36 3.19 0.12 nan nan 3.19 0.12 X:121 GLY 3.26 0.20 3.26 0.20 nan nan nan nan nan nan X:122 ASP 3.52 0.23 3.69 0.19 3.36 0.15 3.22 0.00 3.50 0.03 X:123 PHE 5.79 1.27 4.24 0.28 6.68 0.56 nan nan 6.68 0.56 X:124 GLY 3.96 0.52 3.96 0.52 nan nan nan nan nan nan X:125 ALA 3.50 0.28 3.61 0.18 3.05 0.00 nan nan 3.05 0.00 X:126 ASP 3.59 0.43 3.94 0.32 3.23 0.12 3.20 0.13 3.25 0.10 X:127 ALA 5.61 0.75 5.87 0.62 4.59 0.00 nan nan 4.59 0.00 X:128 GLN 4.52 1.00 5.35 0.62 3.86 0.71 3.25 0.21 4.27 0.63 X:129 GLY 3.78 0.26 3.78 0.26 nan nan nan nan nan nan X:130 ALA 5.64 0.73 5.70 0.80 5.42 0.00 nan nan 5.42 0.00 X:131 MET 8.16 1.26 7.10 0.31 9.22 0.93 10.35 0.00 8.84 0.76 X:132 THR 4.44 0.94 5.23 0.27 3.39 0.18 3.44 0.00 3.36 0.22 X:133 LYS 3.98 0.65 4.60 0.28 3.49 0.39 3.05 0.00 3.59 0.36 X:134 ALA 6.89 0.63 6.61 0.33 8.01 0.00 nan nan 8.01 0.00 X:135 LEU 7.20 0.87 6.53 0.57 7.86 0.56 nan nan 7.86 0.56 X:136 GLU 3.71 0.54 4.13 0.57 3.38 0.14 3.26 0.13 3.45 0.09 X:137 LEU 4.51 0.68 4.87 0.66 4.14 0.46 nan nan 4.14 0.46 X:138 PHE 7.17 0.54 6.96 0.39 7.30 0.58 nan nan 7.30 0.58 X:139 ARG 4.49 0.71 5.01 0.66 4.19 0.54 3.92 0.70 4.40 0.23 X:140 ASN 3.77 0.57 4.25 0.27 3.29 0.34 2.98 0.06 3.59 0.19 X:141 ASP 4.45 0.68 5.04 0.25 3.85 0.38 3.56 0.15 4.15 0.29 X:142 ILE 6.88 0.68 6.26 0.29 7.50 0.27 nan nan 7.50 0.27 X:143 ALA 4.00 0.61 4.21 0.50 3.17 0.00 nan nan 3.17 0.00 X:144 ALA 3.63 0.35 3.76 0.26 3.11 0.00 nan nan 3.11 0.00 X:145 LYS 5.09 0.94 5.61 0.57 4.67 0.96 3.25 0.00 5.02 0.72 X:146 TYR 5.75 1.00 5.15 0.52 6.04 1.05 7.40 0.00 5.85 0.98 X:147 LYS 3.51 0.42 3.88 0.31 3.21 0.21 2.93 0.00 3.28 0.17 X:148 GLU 3.55 0.32 3.71 0.39 3.43 0.16 3.26 0.09 3.54 0.10 X:149 LEU 3.95 0.57 3.73 0.47 4.18 0.57 nan nan 4.18 0.57 X:150 GLY 3.48 0.21 3.48 0.21 nan nan nan nan nan nan X:151 PHE 4.39 0.59 4.09 0.25 4.56 0.65 nan nan 4.56 0.65 X:152 GLN 3.47 0.36 3.43 0.36 3.50 0.35 3.62 0.45 3.42 0.22