# chain residue all-atom MC-atom SC-atom SC-polar-atom SC-nonpolar-atom X:1 GLY 3.30 0.28 3.30 0.28 nan nan nan nan nan nan X:2 LEU 4.92 1.09 4.00 0.44 5.85 0.68 nan nan 5.85 0.68 X:3 SER 3.86 0.66 4.18 0.60 3.23 0.06 3.29 0.00 3.17 0.00 X:4 ASP 3.50 0.31 3.78 0.12 3.21 0.14 3.09 0.06 3.34 0.06 X:5 GLY 3.50 0.18 3.50 0.18 nan nan nan nan nan nan X:6 GLU 4.36 0.92 5.02 0.82 3.83 0.59 3.52 0.57 4.04 0.50 X:7 TRP 5.30 0.81 5.05 0.50 5.41 0.88 4.16 0.00 5.55 0.82 X:8 GLN 3.56 0.45 4.02 0.22 3.20 0.19 2.99 0.09 3.35 0.07 X:9 GLN 4.47 0.88 5.28 0.49 3.81 0.47 3.48 0.02 4.03 0.49 X:10 VAL 7.33 0.75 6.73 0.32 8.12 0.29 nan nan 8.12 0.29 X:11 LEU 4.14 0.63 4.30 0.63 3.97 0.59 nan nan 3.97 0.59 X:12 ASN 3.91 0.52 4.33 0.25 3.50 0.38 3.16 0.06 3.83 0.23 X:13 VAL 6.35 0.66 6.02 0.28 6.79 0.75 nan nan 6.79 0.75 X:14 TRP 6.22 0.92 5.81 0.41 6.39 1.01 4.89 0.00 6.55 0.92 X:15 GLY 3.68 0.29 3.68 0.29 nan nan nan nan nan nan X:16 LYS 4.00 0.41 4.27 0.33 3.78 0.33 3.27 0.00 3.90 0.23 X:17 VAL 6.62 0.83 6.01 0.35 7.42 0.55 nan nan 7.42 0.55 X:18 GLU 3.67 0.63 4.01 0.80 3.40 0.22 3.14 0.03 3.57 0.10 X:19 ALA 3.50 0.33 3.58 0.32 3.15 0.00 nan nan 3.15 0.00 X:20 ASP 4.00 0.75 4.64 0.54 3.36 0.17 3.19 0.04 3.53 0.03 X:21 ILE 4.41 0.84 5.01 0.71 3.81 0.42 nan nan 3.81 0.42 X:22 ALA 4.44 0.79 4.75 0.56 3.23 0.00 nan nan 3.23 0.00 X:23 GLY 4.62 0.42 4.62 0.42 nan nan nan nan nan nan X:24 HIS 6.48 1.11 7.23 0.89 5.99 0.95 5.37 0.04 6.30 1.04 X:25 GLY 8.37 0.15 8.37 0.15 nan nan nan nan nan nan X:26 GLN 5.89 1.08 6.84 0.58 5.13 0.71 4.39 0.20 5.62 0.47 X:27 GLU 4.40 0.79 5.16 0.42 3.80 0.40 3.41 0.01 4.07 0.30 X:28 VAL 7.48 0.57 7.09 0.33 8.00 0.38 nan nan 8.00 0.38 X:29 LEU 7.37 0.61 7.69 0.08 7.06 0.73 nan nan 7.06 0.73 X:30 ILE 5.25 0.66 5.68 0.59 4.81 0.39 nan nan 4.81 0.39 X:31 ARG 4.22 0.70 4.85 0.29 3.86 0.60 3.39 0.41 4.20 0.48 X:32 LEU 6.83 0.36 6.71 0.24 6.94 0.42 nan nan 6.94 0.42 X:33 PHE 6.73 1.15 5.63 1.03 7.35 0.64 nan nan 7.35 0.64 X:34 THR 3.72 0.51 3.91 0.60 3.48 0.14 3.31 0.00 3.56 0.10 X:35 GLY 3.66 0.32 3.66 0.32 nan nan nan nan nan nan X:36 HIS 4.46 0.74 5.04 0.46 4.07 0.64 3.58 0.07 4.32 0.65 X:37 PRO 3.72 0.44 4.06 0.24 3.27 0.17 nan nan 3.27 0.17 X:38 GLU 3.72 0.46 4.11 0.39 3.41 0.19 3.25 0.02 3.51 0.19 X:39 THR 6.32 0.43 6.02 0.21 6.73 0.28 7.13 0.00 6.53 0.05 X:40 LEU 5.73 0.67 6.20 0.07 5.25 0.66 nan nan 5.25 0.66 X:41 GLU 3.72 0.69 4.30 0.67 3.26 0.11 3.13 0.07 3.34 0.05 X:42 LYS 3.90 0.47 3.98 0.42 3.83 0.49 3.21 0.00 3.99 0.43 X:43 PHE 4.55 0.52 4.77 0.51 4.42 0.48 nan nan 4.42 0.48 X:44 ASP 3.54 0.40 3.88 0.21 3.21 0.22 3.10 0.26 3.31 0.04 X:45 LYS 3.57 0.30 3.75 0.23 3.42 0.26 3.14 0.00 3.49 0.25 X:46 PHE 6.06 0.45 5.88 0.44 6.16 0.42 nan nan 6.16 0.42 X:47 LYS 4.02 0.71 4.54 0.66 3.61 0.40 3.10 0.00 3.73 0.34 X:48 HIS 3.71 0.34 4.04 0.28 3.48 0.13 3.50 0.09 3.47 0.15 X:49 LEU 5.35 0.67 5.02 0.41 5.69 0.71 nan nan 5.69 0.71 X:50 LYS 3.58 0.56 3.99 0.61 3.25 0.17 3.07 0.00 3.29 0.16 X:51 THR 3.99 0.69 4.47 0.50 3.36 0.26 3.64 0.00 3.22 0.21 X:52 GLU 3.56 0.30 3.84 0.17 3.34 0.17 3.14 0.04 3.46 0.08 X:53 ALA 3.42 0.28 3.54 0.19 2.96 0.00 nan nan 2.96 0.00 X:54 GLU 3.85 0.44 4.17 0.29 3.59 0.36 3.48 0.46 3.66 0.25 X:55 MET 5.95 0.71 6.12 0.30 5.77 0.93 5.48 0.00 5.87 1.06 X:56 LYS 3.89 0.66 4.46 0.59 3.43 0.20 3.13 0.00 3.51 0.14 X:57 ALA 3.62 0.35 3.73 0.31 3.19 0.00 nan nan 3.19 0.00 X:58 SER 4.29 0.56 4.45 0.63 3.98 0.09 3.89 0.00 4.07 0.00 X:59 GLU 3.59 0.33 3.92 0.17 3.32 0.13 3.25 0.04 3.37 0.15 X:60 ASP 3.98 0.78 4.57 0.72 3.39 0.12 3.31 0.12 3.48 0.02 X:61 LEU 7.35 0.94 6.64 0.62 8.06 0.61 nan nan 8.06 0.61 X:62 LYS 4.37 0.93 5.19 0.56 3.72 0.57 3.01 0.00 3.90 0.50 X:63 LYS 3.70 0.53 4.21 0.31 3.29 0.25 2.93 0.00 3.38 0.20 X:64 HIS 4.87 0.84 5.58 0.38 4.39 0.71 3.89 0.11 4.63 0.75 X:65 GLY 6.99 0.19 6.99 0.19 nan nan nan nan nan nan X:66 THR 4.42 0.84 5.10 0.35 3.52 0.25 3.55 0.00 3.51 0.30 X:67 VAL 3.82 0.52 4.18 0.30 3.33 0.31 nan nan 3.33 0.31 X:68 VAL 4.47 0.26 4.63 0.17 4.26 0.22 nan nan 4.26 0.22 X:69 LEU 6.10 0.80 5.42 0.30 6.78 0.52 nan nan 6.78 0.52 X:70 THR 3.78 0.59 4.12 0.50 3.33 0.33 3.36 0.00 3.31 0.40 X:71 ALA 3.80 0.33 3.92 0.25 3.32 0.00 nan nan 3.32 0.00 X:72 LEU 5.90 0.61 5.61 0.64 6.19 0.42 nan nan 6.19 0.42 X:73 GLY 4.94 0.32 4.94 0.32 nan nan nan nan nan nan X:74 GLY 3.81 0.22 3.81 0.22 nan nan nan nan nan nan X:75 ILE 5.68 0.81 5.75 0.78 5.61 0.83 nan nan 5.61 0.83 X:76 LEU 7.68 1.05 6.78 0.51 8.59 0.56 nan nan 8.59 0.56 X:77 LYS 3.77 0.71 4.23 0.82 3.40 0.24 3.34 0.00 3.41 0.27 X:78 LYS 3.99 0.57 4.29 0.19 3.75 0.65 3.26 0.00 3.88 0.68 X:79 LYS 4.15 0.75 4.71 0.58 3.70 0.54 3.01 0.00 3.87 0.47 X:80 GLY 4.04 0.63 4.04 0.63 nan nan nan nan nan nan X:81 HIS 3.48 0.42 3.90 0.29 3.19 0.18 3.16 0.23 3.21 0.15 X:82 HIS 5.23 0.62 4.83 0.52 5.49 0.54 5.45 0.68 5.50 0.45 X:83 GLU 3.72 0.43 4.13 0.30 3.39 0.13 3.42 0.00 3.37 0.17 X:84 ALA 3.40 0.29 3.50 0.23 2.99 0.00 nan nan 2.99 0.00 X:85 GLU 3.75 0.36 3.90 0.25 3.63 0.40 3.71 0.57 3.58 0.19 X:86 LEU 6.30 0.47 6.11 0.47 6.48 0.39 nan nan 6.48 0.39 X:87 LYS 4.38 0.95 5.34 0.25 3.61 0.52 2.89 0.00 3.79 0.41 X:88 PRO 3.70 0.35 3.91 0.25 3.41 0.26 nan nan 3.41 0.26 X:89 LEU 4.62 0.86 5.22 0.67 4.03 0.57 nan nan 4.03 0.57 X:90 ALA 7.08 0.51 6.88 0.36 7.86 0.00 nan nan 7.86 0.00 X:91 GLN 4.06 0.67 4.52 0.64 3.69 0.42 3.29 0.14 3.96 0.32 X:92 SER 4.10 0.64 4.41 0.57 3.48 0.13 3.62 0.00 3.35 0.00 X:93 HIS 5.43 1.25 6.65 0.57 4.62 0.86 4.18 0.55 4.84 0.90 X:94 ALA 5.71 0.78 5.69 0.87 5.81 0.00 nan nan 5.81 0.00 X:95 THR 3.89 0.59 4.24 0.51 3.43 0.29 3.54 0.00 3.37 0.35 X:96 LYS 3.49 0.40 3.78 0.38 3.27 0.23 2.96 0.00 3.34 0.19 X:97 HIS 3.96 0.57 4.46 0.24 3.63 0.48 3.26 0.08 3.82 0.49 X:98 LYS 4.27 0.85 5.16 0.23 3.56 0.34 3.12 0.00 3.67 0.30 X:99 ILE 5.97 0.52 6.39 0.19 5.56 0.40 nan nan 5.56 0.40 X:100 PRO 4.66 0.76 5.25 0.34 3.88 0.35 nan nan 3.88 0.35 X:101 ILE 4.30 0.60 4.73 0.19 3.88 0.57 nan nan 3.88 0.57 X:102 LYS 3.95 0.90 4.78 0.70 3.28 0.21 2.90 0.00 3.38 0.09 X:103 TYR 5.16 0.90 6.03 0.19 4.73 0.80 3.38 0.00 4.92 0.66 X:104 LEU 6.07 0.37 6.23 0.10 5.92 0.46 nan nan 5.92 0.46 X:105 GLU 4.53 1.03 5.60 0.17 3.67 0.49 3.18 0.06 4.00 0.36 X:106 PHE 4.95 0.92 5.76 0.23 4.49 0.85 nan nan 4.49 0.85 X:107 ILE 6.11 0.57 6.58 0.11 5.63 0.44 nan nan 5.63 0.44 X:108 SER 6.09 0.32 6.05 0.37 6.16 0.18 6.35 0.00 5.98 0.00 X:109 ASP 3.82 0.57 4.32 0.39 3.32 0.09 3.24 0.03 3.41 0.00 X:110 ALA 5.90 0.58 5.80 0.61 6.30 0.00 nan nan 6.30 0.00 X:111 ILE 7.49 0.45 7.29 0.30 7.69 0.49 nan nan 7.69 0.49 X:112 ILE 4.98 0.70 5.34 0.42 4.62 0.74 nan nan 4.62 0.74 X:113 HIS 4.20 0.58 4.69 0.35 3.87 0.45 3.48 0.06 4.06 0.43 X:114 VAL 6.27 0.31 6.35 0.23 6.17 0.36 nan nan 6.17 0.36 X:115 LEU 7.92 0.99 7.07 0.45 8.78 0.54 nan nan 8.78 0.54 X:116 HIS 4.03 0.62 4.62 0.61 3.64 0.08 3.64 0.12 3.64 0.06 X:117 SER 3.77 0.45 3.91 0.39 3.51 0.44 3.07 0.00 3.95 0.00 X:118 LYS 4.08 0.49 3.98 0.45 4.15 0.51 3.29 0.00 4.37 0.30 X:119 HIS 4.31 0.51 4.43 0.35 4.23 0.58 4.00 0.54 4.34 0.57 X:120 PRO 3.50 0.39 3.68 0.41 3.26 0.21 nan nan 3.26 0.21 X:121 GLY 3.25 0.21 3.25 0.21 nan nan nan nan nan nan X:122 ASP 3.75 0.42 4.14 0.07 3.36 0.18 3.18 0.07 3.53 0.04 X:123 PHE 5.79 1.28 4.25 0.37 6.67 0.59 nan nan 6.67 0.59 X:124 GLY 3.85 0.48 3.85 0.48 nan nan nan nan nan nan X:125 ALA 3.47 0.26 3.58 0.15 3.03 0.00 nan nan 3.03 0.00 X:126 ASP 3.57 0.42 3.91 0.33 3.24 0.12 3.15 0.12 3.32 0.00 X:127 ALA 5.63 0.72 5.85 0.65 4.78 0.00 nan nan 4.78 0.00 X:128 GLN 4.46 0.93 5.30 0.45 3.79 0.61 3.16 0.07 4.20 0.42 X:129 GLY 3.67 0.25 3.67 0.25 nan nan nan nan nan nan X:130 ALA 5.38 0.73 5.45 0.81 5.11 0.00 nan nan 5.11 0.00 X:131 MET 8.24 1.19 7.20 0.36 9.29 0.74 10.13 0.00 9.01 0.64 X:132 THR 4.75 0.84 5.44 0.29 3.84 0.26 4.04 0.00 3.74 0.26 X:133 LYS 4.09 0.67 4.71 0.28 3.60 0.45 3.18 0.00 3.70 0.45 X:134 ALA 7.05 0.68 6.74 0.28 8.33 0.00 nan nan 8.33 0.00 X:135 LEU 7.06 0.52 6.68 0.44 7.44 0.26 nan nan 7.44 0.26 X:136 GLU 3.79 0.61 4.27 0.58 3.41 0.26 3.15 0.04 3.57 0.20 X:137 LEU 4.26 0.66 4.62 0.61 3.90 0.47 nan nan 3.90 0.47 X:138 PHE 6.83 0.60 6.93 0.46 6.78 0.66 nan nan 6.78 0.66 X:139 ARG 4.60 0.81 5.36 0.58 4.16 0.55 3.89 0.69 4.36 0.28 X:140 ASN 3.91 0.66 4.52 0.23 3.30 0.28 3.04 0.04 3.56 0.16 X:141 ASP 4.29 0.64 4.83 0.32 3.75 0.38 3.45 0.18 4.06 0.27 X:142 ILE 6.90 0.64 6.32 0.27 7.47 0.30 nan nan 7.47 0.30 X:143 ALA 4.04 0.64 4.23 0.57 3.28 0.00 nan nan 3.28 0.00 X:144 ALA 3.60 0.33 3.73 0.23 3.08 0.00 nan nan 3.08 0.00 X:145 LYS 5.03 0.84 5.50 0.53 4.66 0.84 3.53 0.00 4.94 0.70 X:146 TYR 5.98 1.03 5.18 0.52 6.38 0.99 7.42 0.00 6.23 0.97 X:147 LYS 3.51 0.43 3.92 0.28 3.18 0.19 2.92 0.00 3.25 0.15 X:148 GLU 3.55 0.32 3.70 0.36 3.43 0.22 3.24 0.17 3.55 0.14 X:149 LEU 3.98 0.60 3.79 0.50 4.17 0.64 nan nan 4.17 0.64 X:150 GLY 3.35 0.29 3.35 0.29 nan nan nan nan nan nan X:151 PHE 4.45 0.71 3.97 0.18 4.73 0.75 nan nan 4.73 0.75 X:152 GLN 3.38 0.24 3.34 0.33 3.42 0.12 3.30 0.08 3.50 0.05