REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2inv_1_C DATA FIRST_RESID 52 DATA SEQUENCE PNTYDVTTWR IKAHPEVTAQ SDIGAVINDI IADIKQRQTS PDARPGAAII DATA SEQUENCE IPPGDYDLHT QVVVDVSYLT IAGFGHGFFS RSILDNSNPT GWQNLQPGAS DATA SEQUENCE HIRVLTSPSA PQAFLVKRAG DPRLSGIVFR DFCLDGVGFT PGKNSYHNGK DATA SEQUENCE TGIEVASDND SFHITGXGFV YLEHALIVRG ADALRVNDNX IAECGNCVEL DATA SEQUENCE TGAGQATIVS GNHXGAGPDG VTLLAENHEG LLVTGNNLFP RGRSLIEFTG DATA SEQUENCE CNRCSVTSNR LQGFYPGXLR LLNGCKENLI TANHIRRTNE GYPPFIGRGN DATA SEQUENCE GLDDLYGVVH IAGDNNLISD NLFAYNVPPA NIAPAGAQPT QILIAGGDAN DATA SEQUENCE VVALNHVVSD VASQHVVLDA STTHSKVLDS GTASQITSYS SDTAIRPTP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 52 P HA 0.000 nan 4.420 nan 0.000 0.216 52 P C 0.000 177.233 177.300 -0.111 0.000 1.155 52 P CA 0.000 63.045 63.100 -0.091 0.000 0.800 52 P CB 0.000 31.667 31.700 -0.055 0.000 0.726 53 N N -0.619 117.984 118.700 -0.162 0.000 2.714 53 N HA -0.110 4.630 4.740 0.001 0.000 0.250 53 N C -0.716 174.719 175.510 -0.125 0.000 1.117 53 N CA 1.429 54.400 53.050 -0.132 0.000 0.719 53 N CB -0.624 37.843 38.487 -0.033 0.000 1.081 53 N HN 0.453 nan 8.380 nan 0.000 0.557 54 T N 0.250 114.660 114.554 -0.240 0.000 2.841 54 T HA 0.529 4.880 4.350 0.001 0.000 0.285 54 T C -0.905 173.667 174.700 -0.214 0.000 0.991 54 T CA -0.383 61.646 62.100 -0.119 0.000 0.966 54 T CB 1.001 69.828 68.868 -0.069 0.000 0.962 54 T HN 0.069 nan 8.240 nan 0.000 0.438 55 Y N 0.876 121.123 120.300 -0.088 0.000 2.524 55 Y HA 0.593 5.143 4.550 0.001 0.000 0.344 55 Y C 0.023 175.894 175.900 -0.049 0.000 1.012 55 Y CA -1.455 56.594 58.100 -0.085 0.000 1.068 55 Y CB 1.373 39.688 38.460 -0.242 0.000 1.249 55 Y HN 0.485 nan 8.280 nan 0.000 0.468 56 D N 0.924 121.430 120.400 0.178 0.000 2.408 56 D HA 0.220 4.861 4.640 0.001 0.000 0.243 56 D C 0.826 177.195 176.300 0.115 0.000 1.075 56 D CA -0.398 53.675 54.000 0.121 0.000 0.832 56 D CB 2.244 43.122 40.800 0.130 0.000 1.162 56 D HN 0.473 nan 8.370 nan 0.000 0.515 57 V N 2.287 122.210 119.914 0.016 0.000 2.568 57 V HA -0.201 3.920 4.120 0.001 0.000 0.253 57 V C 2.033 178.166 176.094 0.065 0.000 1.072 57 V CA 2.368 64.657 62.300 -0.018 0.000 1.084 57 V CB -1.730 29.972 31.823 -0.201 0.000 0.676 57 V HN 0.718 nan 8.190 nan 0.000 0.469 58 T N -0.905 113.700 114.554 0.084 0.000 3.023 58 T HA -0.109 4.241 4.350 0.001 0.000 0.266 58 T C 1.685 176.470 174.700 0.141 0.000 1.093 58 T CA 1.612 63.791 62.100 0.131 0.000 1.129 58 T CB -0.728 68.231 68.868 0.153 0.000 0.899 58 T HN 0.769 nan 8.240 nan 0.000 0.491 59 T N -3.485 111.170 114.554 0.167 0.000 3.037 59 T HA 0.122 4.473 4.350 0.001 0.000 0.251 59 T C 0.522 175.343 174.700 0.200 0.000 1.079 59 T CA -0.698 61.496 62.100 0.157 0.000 1.067 59 T CB -0.346 68.611 68.868 0.149 0.000 0.948 59 T HN 0.562 nan 8.240 nan 0.000 0.496 60 W N 5.452 126.791 121.300 0.064 0.000 2.387 60 W HA 0.395 5.055 4.660 0.001 0.000 0.310 60 W C -0.187 176.364 176.519 0.054 0.000 1.181 60 W CA -1.146 56.245 57.345 0.076 0.000 1.333 60 W CB 0.502 30.029 29.460 0.111 0.000 1.286 60 W HN 0.259 nan 8.180 nan 0.000 0.455 61 R N 5.219 125.450 120.500 -0.450 0.000 2.410 61 R HA 0.532 4.872 4.340 0.001 0.000 0.288 61 R C -0.533 175.487 176.300 -0.466 0.000 1.051 61 R CA -0.630 55.273 56.100 -0.327 0.000 1.021 61 R CB 1.200 31.359 30.300 -0.234 0.000 1.032 61 R HN 0.464 nan 8.270 nan 0.000 0.481 62 I N 3.821 124.309 120.570 -0.137 0.000 2.308 62 I HA 0.021 4.191 4.170 0.001 0.000 0.293 62 I C 1.526 177.614 176.117 -0.049 0.000 1.078 62 I CA -0.229 61.062 61.300 -0.015 0.000 1.292 62 I CB 1.205 39.285 38.000 0.133 0.000 1.423 62 I HN 0.869 nan 8.210 nan 0.000 0.493 63 K N 5.164 125.503 120.400 -0.102 0.000 2.077 63 K HA -0.274 4.046 4.320 0.001 0.000 0.213 63 K C 1.837 178.383 176.600 -0.090 0.000 1.051 63 K CA 2.225 58.451 56.287 -0.102 0.000 0.929 63 K CB 0.073 32.521 32.500 -0.088 0.000 0.715 63 K HN 0.792 nan 8.250 nan 0.000 0.451 64 A N -0.207 122.568 122.820 -0.076 0.000 2.123 64 A HA -0.027 4.294 4.320 0.001 0.000 0.214 64 A C -0.032 177.217 177.584 -0.558 0.000 1.152 64 A CA 0.716 52.601 52.037 -0.254 0.000 0.728 64 A CB -0.109 18.765 19.000 -0.210 0.000 0.814 64 A HN 0.436 nan 8.150 nan 0.000 0.464 65 H N -1.706 117.356 119.070 -0.013 0.000 2.380 65 H HA 0.299 4.855 4.556 0.001 0.000 0.231 65 H C -2.281 173.038 175.328 -0.014 0.000 1.415 65 H CA -1.430 54.612 56.048 -0.009 0.000 1.433 65 H CB 0.731 30.495 29.762 0.003 0.000 1.544 65 H HN 0.114 nan 8.280 nan 0.000 0.503 66 P HA -0.194 nan 4.420 nan 0.000 0.216 66 P C 1.010 178.323 177.300 0.022 0.000 1.150 66 P CA 1.383 64.483 63.100 -0.001 0.000 0.843 66 P CB 0.431 32.112 31.700 -0.030 0.000 0.787 67 E N -1.506 118.717 120.200 0.039 0.000 2.465 67 E HA 0.054 4.404 4.350 0.001 0.000 0.191 67 E C -0.342 176.289 176.600 0.051 0.000 1.053 67 E CA -0.107 56.315 56.400 0.038 0.000 0.869 67 E CB 0.095 29.812 29.700 0.028 0.000 0.977 67 E HN -0.066 nan 8.360 nan 0.000 0.483 68 V N 2.643 122.598 119.914 0.070 0.000 2.313 68 V HA 0.095 4.215 4.120 0.001 0.000 0.252 68 V C 0.541 176.681 176.094 0.076 0.000 1.112 68 V CA -0.149 62.191 62.300 0.066 0.000 0.984 68 V CB 0.017 31.877 31.823 0.062 0.000 1.157 68 V HN 0.228 nan 8.190 nan 0.000 0.493 69 T N 1.801 116.403 114.554 0.079 0.000 2.884 69 T HA 0.617 4.968 4.350 0.001 0.000 0.277 69 T C 1.453 176.220 174.700 0.113 0.000 0.976 69 T CA -0.008 62.151 62.100 0.097 0.000 0.956 69 T CB 1.791 70.718 68.868 0.098 0.000 1.113 69 T HN 0.444 nan 8.240 nan 0.000 0.554 70 A N -0.170 122.727 122.820 0.129 0.000 1.972 70 A HA -0.085 4.236 4.320 0.001 0.000 0.219 70 A C 2.413 180.165 177.584 0.280 0.000 1.169 70 A CA 1.441 53.547 52.037 0.115 0.000 0.635 70 A CB -1.046 17.946 19.000 -0.013 0.000 0.810 70 A HN 0.889 nan 8.150 nan 0.000 0.446 71 Q N -0.115 119.858 119.800 0.287 0.000 2.079 71 Q HA -0.136 4.204 4.340 0.001 0.000 0.200 71 Q C 2.518 178.603 176.000 0.141 0.000 0.974 71 Q CA 1.920 57.852 55.803 0.215 0.000 0.840 71 Q CB -0.231 28.574 28.738 0.111 0.000 0.898 71 Q HN 0.855 nan 8.270 nan 0.000 0.430 72 S N -0.445 115.329 115.700 0.123 0.000 2.406 72 S HA -0.058 4.412 4.470 0.001 0.000 0.224 72 S C 0.569 175.270 174.600 0.168 0.000 1.030 72 S CA 0.774 59.046 58.200 0.119 0.000 0.958 72 S CB 0.394 63.639 63.200 0.074 0.000 0.811 72 S HN 0.167 nan 8.310 nan 0.000 0.489 73 D N -0.292 120.186 120.400 0.129 0.000 2.584 73 D HA 0.262 4.902 4.640 0.001 0.000 0.238 73 D C 0.076 176.411 176.300 0.059 0.000 1.302 73 D CA -0.271 53.799 54.000 0.117 0.000 0.884 73 D CB 0.227 41.082 40.800 0.092 0.000 1.456 73 D HN 0.236 nan 8.370 nan 0.000 0.528 74 I N 1.294 121.890 120.570 0.043 0.000 2.567 74 I HA -0.038 4.132 4.170 0.001 0.000 0.257 74 I C 1.831 177.915 176.117 -0.055 0.000 1.184 74 I CA 1.494 62.782 61.300 -0.020 0.000 1.451 74 I CB 0.345 38.302 38.000 -0.071 0.000 1.089 74 I HN 0.406 nan 8.210 nan 0.000 0.441 75 G N 0.205 108.966 108.800 -0.064 0.000 2.404 75 G HA2 -0.263 3.698 3.960 0.001 0.000 0.215 75 G HA3 -0.263 3.698 3.960 0.001 0.000 0.215 75 G C 1.746 176.601 174.900 -0.075 0.000 1.174 75 G CA 0.662 45.689 45.100 -0.123 0.000 0.780 75 G HN 0.532 nan 8.290 nan 0.000 0.537 76 A N 0.181 122.983 122.820 -0.030 0.000 1.902 76 A HA 0.051 4.372 4.320 0.001 0.000 0.217 76 A C 2.622 180.215 177.584 0.015 0.000 1.181 76 A CA 1.928 53.956 52.037 -0.015 0.000 0.623 76 A CB -0.703 18.289 19.000 -0.013 0.000 0.818 76 A HN 0.265 nan 8.150 nan 0.000 0.443 77 V N 0.372 120.306 119.914 0.032 0.000 2.255 77 V HA -0.296 3.825 4.120 0.001 0.000 0.247 77 V C 2.434 178.513 176.094 -0.025 0.000 1.051 77 V CA 2.177 64.524 62.300 0.078 0.000 1.018 77 V CB -0.753 31.116 31.823 0.076 0.000 0.641 77 V HN 0.584 nan 8.190 nan 0.000 0.445 78 I N 0.376 120.894 120.570 -0.086 0.000 2.286 78 I HA -0.208 3.963 4.170 0.001 0.000 0.248 78 I C 2.366 178.396 176.117 -0.145 0.000 1.115 78 I CA 1.311 62.522 61.300 -0.149 0.000 1.392 78 I CB -0.561 37.400 38.000 -0.066 0.000 1.065 78 I HN 0.357 nan 8.210 nan 0.000 0.418 79 N N 0.771 119.422 118.700 -0.082 0.000 2.166 79 N HA -0.215 4.525 4.740 0.001 0.000 0.186 79 N C 1.532 177.013 175.510 -0.047 0.000 1.019 79 N CA 1.549 54.563 53.050 -0.059 0.000 0.856 79 N CB -0.375 38.090 38.487 -0.036 0.000 0.993 79 N HN 0.375 nan 8.380 nan 0.000 0.426 80 D N 0.374 120.776 120.400 0.004 0.000 2.178 80 D HA 0.044 4.685 4.640 0.001 0.000 0.202 80 D C 2.019 178.305 176.300 -0.023 0.000 0.974 80 D CA 0.452 54.517 54.000 0.108 0.000 0.841 80 D CB 0.078 41.069 40.800 0.319 0.000 0.953 80 D HN 0.190 nan 8.370 nan 0.000 0.478 81 I N 0.092 120.440 120.570 -0.371 0.000 2.202 81 I HA -0.198 3.973 4.170 0.001 0.000 0.242 81 I C 2.189 177.935 176.117 -0.619 0.000 1.091 81 I CA 0.703 61.437 61.300 -0.943 0.000 1.368 81 I CB -0.142 37.062 38.000 -1.327 0.000 1.058 81 I HN 0.082 nan 8.210 nan 0.000 0.410 82 I N 0.811 121.154 120.570 -0.379 0.000 2.335 82 I HA -0.301 3.870 4.170 0.001 0.000 0.251 82 I C 2.716 178.760 176.117 -0.122 0.000 1.129 82 I CA 1.276 62.441 61.300 -0.225 0.000 1.402 82 I CB -0.462 37.461 38.000 -0.130 0.000 1.069 82 I HN 0.199 nan 8.210 nan 0.000 0.424 83 A N 0.208 122.981 122.820 -0.078 0.000 1.969 83 A HA -0.279 4.041 4.320 0.001 0.000 0.218 83 A C 1.981 179.585 177.584 0.032 0.000 1.169 83 A CA 2.193 54.230 52.037 0.001 0.000 0.635 83 A CB -0.608 18.419 19.000 0.043 0.000 0.810 83 A HN 0.459 nan 8.150 nan 0.000 0.445 84 D N -0.505 119.910 120.400 0.025 0.000 2.183 84 D HA -0.040 4.600 4.640 0.001 0.000 0.203 84 D C 1.704 178.062 176.300 0.095 0.000 0.969 84 D CA 0.868 54.941 54.000 0.121 0.000 0.842 84 D CB -0.144 40.787 40.800 0.219 0.000 0.957 84 D HN 0.487 nan 8.370 nan 0.000 0.484 85 I N 0.294 120.874 120.570 0.017 0.000 2.202 85 I HA -0.208 3.962 4.170 0.001 0.000 0.242 85 I C 2.258 178.399 176.117 0.041 0.000 1.091 85 I CA 0.969 62.298 61.300 0.049 0.000 1.368 85 I CB -0.185 37.805 38.000 -0.016 0.000 1.058 85 I HN -0.016 nan 8.210 nan 0.000 0.410 86 K N 0.219 120.630 120.400 0.019 0.000 2.148 86 K HA -0.236 4.084 4.320 0.001 0.000 0.204 86 K C 2.085 178.710 176.600 0.040 0.000 1.050 86 K CA 1.144 57.446 56.287 0.025 0.000 0.942 86 K CB -0.167 32.343 32.500 0.016 0.000 0.724 86 K HN 0.189 nan 8.250 nan 0.000 0.446 87 Q N 1.515 121.347 119.800 0.054 0.000 2.014 87 Q HA -0.167 4.173 4.340 0.001 0.000 0.207 87 Q C 1.918 177.955 176.000 0.062 0.000 0.993 87 Q CA 1.848 57.690 55.803 0.066 0.000 0.850 87 Q CB 0.060 28.856 28.738 0.096 0.000 0.916 87 Q HN 0.204 nan 8.270 nan 0.000 0.417 88 R N -0.493 120.049 120.500 0.070 0.000 2.075 88 R HA 0.014 4.354 4.340 0.001 0.000 0.226 88 R C 0.502 176.830 176.300 0.048 0.000 1.114 88 R CA 1.014 57.151 56.100 0.062 0.000 0.972 88 R CB 0.036 30.380 30.300 0.073 0.000 0.869 88 R HN 0.362 nan 8.270 nan 0.000 0.437 89 Q N 1.040 120.869 119.800 0.047 0.000 2.571 89 Q HA 0.093 4.434 4.340 0.001 0.000 0.222 89 Q C 0.201 176.224 176.000 0.038 0.000 1.167 89 Q CA -0.112 55.717 55.803 0.042 0.000 0.966 89 Q CB 1.311 30.078 28.738 0.048 0.000 1.274 89 Q HN 0.252 nan 8.270 nan 0.000 0.552 90 T N -3.233 111.341 114.554 0.034 0.000 3.057 90 T HA 0.083 4.434 4.350 0.001 0.000 0.254 90 T C 0.880 175.597 174.700 0.029 0.000 1.094 90 T CA -0.217 61.901 62.100 0.030 0.000 1.088 90 T CB 0.395 69.280 68.868 0.028 0.000 0.934 90 T HN 0.138 nan 8.240 nan 0.000 0.497 91 S N 3.393 119.111 115.700 0.030 0.000 2.452 91 S HA 0.336 4.807 4.470 0.001 0.000 0.284 91 S C -1.860 172.762 174.600 0.036 0.000 1.171 91 S CA -1.094 57.124 58.200 0.029 0.000 1.064 91 S CB 1.520 64.736 63.200 0.026 0.000 0.967 91 S HN 0.118 nan 8.310 nan 0.000 0.484 92 P HA -0.092 nan 4.420 nan 0.000 0.223 92 P C 0.559 177.890 177.300 0.051 0.000 1.144 92 P CA 0.953 64.078 63.100 0.043 0.000 0.783 92 P CB 0.197 31.917 31.700 0.034 0.000 0.771 93 D N -1.717 118.707 120.400 0.040 0.000 2.360 93 D HA 0.141 4.782 4.640 0.001 0.000 0.210 93 D C 0.383 176.702 176.300 0.033 0.000 1.047 93 D CA 0.080 54.101 54.000 0.036 0.000 0.854 93 D CB -0.020 40.794 40.800 0.024 0.000 0.936 93 D HN -0.079 nan 8.370 nan 0.000 0.514 94 A N 0.537 123.379 122.820 0.038 0.000 3.297 94 A HA 0.452 4.772 4.320 0.001 0.000 0.304 94 A C -0.124 177.489 177.584 0.048 0.000 0.963 94 A CA -0.542 51.515 52.037 0.033 0.000 0.935 94 A CB 0.150 19.164 19.000 0.024 0.000 1.093 94 A HN 0.026 nan 8.150 nan 0.000 0.480 95 R N 0.990 121.534 120.500 0.074 0.000 2.681 95 R HA 0.210 4.550 4.340 0.001 0.000 0.277 95 R C -2.264 174.138 176.300 0.171 0.000 1.563 95 R CA -1.254 54.910 56.100 0.106 0.000 1.673 95 R CB 0.973 31.335 30.300 0.103 0.000 1.258 95 R HN 0.257 nan 8.270 nan 0.000 0.650 96 P HA -0.118 nan 4.420 nan 0.000 0.216 96 P C 0.704 178.072 177.300 0.115 0.000 1.150 96 P CA 1.443 64.561 63.100 0.030 0.000 0.837 96 P CB 0.383 32.080 31.700 -0.005 0.000 0.786 97 G N -1.494 107.382 108.800 0.127 0.000 2.472 97 G HA2 0.269 4.230 3.960 0.001 0.000 0.205 97 G HA3 0.269 4.230 3.960 0.001 0.000 0.205 97 G C -0.805 174.131 174.900 0.060 0.000 1.270 97 G CA -0.408 44.759 45.100 0.112 0.000 0.974 97 G HN 0.491 nan 8.290 nan 0.000 0.542 98 A N -1.792 121.049 122.820 0.036 0.000 2.511 98 A HA 1.086 5.406 4.320 0.001 0.000 0.293 98 A C -0.381 177.206 177.584 0.004 0.000 1.098 98 A CA 0.571 52.636 52.037 0.047 0.000 0.643 98 A CB 0.620 19.709 19.000 0.148 0.000 1.302 98 A HN 2.695 nan 8.150 nan 0.000 0.446 99 A N 0.244 123.082 122.820 0.030 0.000 2.343 99 A HA 0.736 5.056 4.320 0.001 0.000 0.308 99 A C -0.998 176.598 177.584 0.019 0.000 1.092 99 A CA -0.269 51.757 52.037 -0.019 0.000 0.751 99 A CB 0.477 19.456 19.000 -0.034 0.000 1.203 99 A HN 0.768 nan 8.150 nan 0.000 0.452 100 I N 4.126 124.654 120.570 -0.070 0.000 2.355 100 I HA 0.295 4.466 4.170 0.001 0.000 0.288 100 I C -0.704 175.346 176.117 -0.112 0.000 0.999 100 I CA -0.595 60.649 61.300 -0.092 0.000 1.163 100 I CB 1.295 39.175 38.000 -0.201 0.000 1.316 100 I HN 0.418 nan 8.210 nan 0.000 0.454 101 I N 7.299 127.834 120.570 -0.059 0.000 2.353 101 I HA 0.360 4.531 4.170 0.001 0.000 0.293 101 I C 0.133 176.221 176.117 -0.048 0.000 0.992 101 I CA -0.545 60.723 61.300 -0.054 0.000 1.268 101 I CB 1.403 39.414 38.000 0.018 0.000 1.387 101 I HN 0.432 nan 8.210 nan 0.000 0.478 102 I N 7.729 128.269 120.570 -0.050 0.000 2.428 102 I HA 0.271 4.442 4.170 0.001 0.000 0.279 102 I C -2.271 173.977 176.117 0.218 0.000 1.040 102 I CA -1.754 59.510 61.300 -0.061 0.000 1.171 102 I CB 1.278 39.138 38.000 -0.234 0.000 1.312 102 I HN 0.195 nan 8.210 nan 0.000 0.470 103 P HA 0.026 nan 4.420 nan 0.000 0.267 103 P C -2.412 175.089 177.300 0.334 0.000 1.201 103 P CA -0.679 62.614 63.100 0.321 0.000 0.775 103 P CB -0.141 31.691 31.700 0.221 0.000 0.854 104 P HA 0.208 nan 4.420 nan 0.000 0.261 104 P C 0.096 177.443 177.300 0.079 0.000 1.183 104 P CA 1.242 64.400 63.100 0.097 0.000 0.761 104 P CB 0.088 31.751 31.700 -0.062 0.000 0.785 105 G N 2.088 110.904 108.800 0.027 0.000 2.321 105 G HA2 0.165 4.125 3.960 0.001 0.000 0.298 105 G HA3 0.165 4.125 3.960 0.001 0.000 0.298 105 G C -2.081 172.503 174.900 -0.527 0.000 1.385 105 G CA -0.685 44.227 45.100 -0.313 0.000 0.856 105 G HN 0.258 nan 8.290 nan 0.000 0.584 106 D N 0.541 120.580 120.400 -0.602 0.000 2.317 106 D HA 0.547 5.187 4.640 0.001 0.000 0.234 106 D C -0.997 174.917 176.300 -0.643 0.000 1.112 106 D CA 0.501 54.263 54.000 -0.396 0.000 0.840 106 D CB 1.083 41.790 40.800 -0.155 0.000 1.078 106 D HN 0.258 nan 8.370 nan 0.000 0.486 107 Y N 0.620 120.870 120.300 -0.082 0.000 2.391 107 Y HA 0.250 4.801 4.550 0.001 0.000 0.341 107 Y C 0.084 175.914 175.900 -0.116 0.000 0.965 107 Y CA -1.158 56.903 58.100 -0.065 0.000 1.067 107 Y CB 1.502 39.945 38.460 -0.029 0.000 1.199 107 Y HN 0.069 nan 8.280 nan 0.000 0.450 108 D N 3.007 123.446 120.400 0.066 0.000 2.225 108 D HA 0.323 4.963 4.640 0.001 0.000 0.248 108 D C -1.010 175.274 176.300 -0.026 0.000 1.096 108 D CA -0.175 53.806 54.000 -0.032 0.000 0.863 108 D CB 1.721 42.519 40.800 -0.004 0.000 1.156 108 D HN 0.503 nan 8.370 nan 0.000 0.450 109 L N 3.835 124.985 121.223 -0.122 0.000 2.318 109 L HA 0.254 4.595 4.340 0.001 0.000 0.277 109 L C 0.661 177.426 176.870 -0.174 0.000 1.008 109 L CA -0.342 54.439 54.840 -0.098 0.000 0.846 109 L CB 0.722 42.726 42.059 -0.092 0.000 1.220 109 L HN 0.498 nan 8.230 nan 0.000 0.423 110 H N 1.689 120.738 119.070 -0.035 0.000 2.506 110 H HA 0.195 4.751 4.556 0.001 0.000 0.289 110 H C -0.054 175.247 175.328 -0.045 0.000 1.009 110 H CA 0.229 56.260 56.048 -0.029 0.000 1.303 110 H CB 0.705 30.453 29.762 -0.022 0.000 1.453 110 H HN 0.444 nan 8.280 nan 0.000 0.526 111 T N 2.607 117.194 114.554 0.055 0.000 2.743 111 T HA 0.076 4.426 4.350 0.001 0.000 0.293 111 T C 0.322 174.973 174.700 -0.082 0.000 0.945 111 T CA -0.404 61.688 62.100 -0.013 0.000 1.030 111 T CB 2.088 70.941 68.868 -0.025 0.000 0.912 111 T HN 0.241 nan 8.240 nan 0.000 0.483 112 Q N 3.211 122.966 119.800 -0.076 0.000 2.286 112 Q HA 0.125 4.465 4.340 0.001 0.000 0.290 112 Q C -0.818 175.097 176.000 -0.142 0.000 1.049 112 Q CA -0.103 55.630 55.803 -0.116 0.000 0.923 112 Q CB 0.450 29.155 28.738 -0.055 0.000 1.183 112 Q HN 0.431 nan 8.270 nan 0.000 0.383 113 V N 5.388 125.149 119.914 -0.255 0.000 2.406 113 V HA 0.185 4.306 4.120 0.001 0.000 0.272 113 V C -0.114 175.968 176.094 -0.020 0.000 1.043 113 V CA -0.554 61.632 62.300 -0.190 0.000 0.915 113 V CB 1.392 32.990 31.823 -0.375 0.000 0.988 113 V HN 0.590 nan 8.190 nan 0.000 0.466 114 V N 6.381 126.307 119.914 0.019 0.000 2.350 114 V HA 0.301 4.422 4.120 0.001 0.000 0.276 114 V C 0.029 176.176 176.094 0.089 0.000 1.028 114 V CA -0.435 61.903 62.300 0.064 0.000 0.860 114 V CB 1.680 33.524 31.823 0.035 0.000 0.990 114 V HN 0.622 nan 8.190 nan 0.000 0.453 115 V N 5.644 125.648 119.914 0.149 0.000 2.333 115 V HA 0.374 4.495 4.120 0.001 0.000 0.274 115 V C 0.342 176.491 176.094 0.091 0.000 1.028 115 V CA -0.320 62.057 62.300 0.129 0.000 0.851 115 V CB 1.389 33.337 31.823 0.208 0.000 1.000 115 V HN 1.044 nan 8.190 nan 0.000 0.456 116 D N 3.576 124.000 120.400 0.040 0.000 2.673 116 D HA 0.113 4.753 4.640 0.001 0.000 0.278 116 D C -0.283 176.012 176.300 -0.008 0.000 1.393 116 D CA -0.118 53.898 54.000 0.028 0.000 0.805 116 D CB 1.199 42.015 40.800 0.026 0.000 1.110 116 D HN 0.319 nan 8.370 nan 0.000 0.476 117 V N -0.110 119.782 119.914 -0.036 0.000 2.604 117 V HA 0.528 4.648 4.120 0.001 0.000 0.305 117 V C -0.396 175.613 176.094 -0.141 0.000 1.043 117 V CA -0.404 61.854 62.300 -0.069 0.000 0.888 117 V CB 1.991 33.783 31.823 -0.051 0.000 0.995 117 V HN 0.156 nan 8.190 nan 0.000 0.429 118 S N 5.120 120.676 115.700 -0.241 0.000 2.576 118 S HA 0.472 4.942 4.470 0.001 0.000 0.276 118 S C -0.588 173.729 174.600 -0.471 0.000 1.339 118 S CA 0.216 58.090 58.200 -0.543 0.000 1.039 118 S CB 0.052 62.652 63.200 -1.001 0.000 0.902 118 S HN 1.037 nan 8.310 nan 0.000 0.516 119 Y N -1.566 118.671 120.300 -0.105 0.000 3.929 119 Y HA -0.177 4.374 4.550 0.001 0.000 0.225 119 Y C 0.087 175.892 175.900 -0.157 0.000 1.200 119 Y CA -0.179 57.849 58.100 -0.121 0.000 1.791 119 Y CB -2.230 36.192 38.460 -0.064 0.000 1.561 119 Y HN 0.464 nan 8.280 nan 0.000 0.657 120 L N 1.167 122.299 121.223 -0.151 0.000 2.305 120 L HA 0.454 4.794 4.340 0.001 0.000 0.281 120 L C 0.313 177.004 176.870 -0.297 0.000 1.085 120 L CA 0.133 54.855 54.840 -0.198 0.000 0.813 120 L CB 1.312 43.227 42.059 -0.240 0.000 1.157 120 L HN 0.250 nan 8.230 nan 0.000 0.436 121 T N 6.333 120.748 114.554 -0.232 0.000 2.791 121 T HA 0.508 4.859 4.350 0.001 0.000 0.288 121 T C -0.160 174.391 174.700 -0.248 0.000 0.999 121 T CA -0.222 61.728 62.100 -0.249 0.000 0.952 121 T CB 0.886 69.666 68.868 -0.147 0.000 0.938 121 T HN 0.357 nan 8.240 nan 0.000 0.444 122 I N 3.360 123.748 120.570 -0.304 0.000 2.382 122 I HA 0.657 4.827 4.170 0.001 0.000 0.285 122 I C 0.124 176.199 176.117 -0.070 0.000 1.007 122 I CA -0.713 60.447 61.300 -0.234 0.000 1.142 122 I CB 1.172 38.989 38.000 -0.304 0.000 1.289 122 I HN 0.627 nan 8.210 nan 0.000 0.453 123 A N 4.513 127.275 122.820 -0.097 0.000 2.413 123 A HA 0.973 5.294 4.320 0.001 0.000 0.307 123 A C -0.208 177.339 177.584 -0.061 0.000 1.087 123 A CA -0.454 51.571 52.037 -0.020 0.000 0.750 123 A CB 1.755 20.691 19.000 -0.106 0.000 1.296 123 A HN 0.729 nan 8.150 nan 0.000 0.423 124 G N -1.176 107.641 108.800 0.029 0.000 3.222 124 G HA2 0.570 4.530 3.960 0.001 0.000 0.263 124 G HA3 0.570 4.530 3.960 0.001 0.000 0.263 124 G C -0.791 174.041 174.900 -0.114 0.000 1.312 124 G CA -0.321 44.814 45.100 0.058 0.000 0.934 124 G HN 0.458 nan 8.290 nan 0.000 0.577 125 F N 0.209 120.234 119.950 0.124 0.000 2.706 125 F HA 0.534 5.061 4.527 0.001 0.000 0.313 125 F C 1.097 176.964 175.800 0.111 0.000 1.096 125 F CA 0.124 58.184 58.000 0.100 0.000 1.219 125 F CB 1.418 40.466 39.000 0.080 0.000 1.051 125 F HN 0.712 nan 8.300 nan 0.000 0.568 126 G N -0.938 108.030 108.800 0.280 0.000 2.519 126 G HA2 0.196 4.156 3.960 0.001 0.000 0.292 126 G HA3 0.196 4.156 3.960 0.001 0.000 0.292 126 G C -0.212 174.814 174.900 0.209 0.000 1.507 126 G CA -0.560 44.681 45.100 0.236 0.000 0.806 126 G HN 0.145 nan 8.290 nan 0.000 0.523 127 H N -0.200 118.929 119.070 0.099 0.000 2.535 127 H HA 0.133 4.689 4.556 0.001 0.000 0.273 127 H C 1.827 177.226 175.328 0.118 0.000 0.983 127 H CA 0.829 56.922 56.048 0.076 0.000 1.238 127 H CB -0.282 29.526 29.762 0.077 0.000 1.412 127 H HN 1.723 nan 8.280 nan 0.000 0.562 128 G N 1.704 110.240 108.800 -0.440 0.000 2.450 128 G HA2 -0.345 3.616 3.960 0.001 0.000 0.302 128 G HA3 -0.345 3.616 3.960 0.001 0.000 0.302 128 G C -0.122 174.679 174.900 -0.165 0.000 0.957 128 G CA 0.611 45.529 45.100 -0.302 0.000 1.005 128 G HN 0.599 nan 8.290 nan 0.000 0.514 129 F N -0.373 119.436 119.950 -0.236 0.000 2.506 129 F HA 0.620 5.147 4.527 0.001 0.000 0.351 129 F C 0.136 175.990 175.800 0.090 0.000 1.136 129 F CA -0.630 57.389 58.000 0.033 0.000 1.298 129 F CB 0.489 39.590 39.000 0.169 0.000 1.145 129 F HN 0.186 nan 8.300 nan 0.000 0.593 130 F N 4.541 123.745 119.950 -1.244 0.000 2.604 130 F HA 0.255 4.782 4.527 0.001 0.000 0.316 130 F C -0.926 174.212 175.800 -1.105 0.000 1.136 130 F CA -0.775 56.747 58.000 -0.797 0.000 0.989 130 F CB 1.306 40.032 39.000 -0.457 0.000 1.258 130 F HN 0.325 nan 8.300 nan 0.000 0.451 131 S N 5.954 121.037 115.700 -1.029 0.000 3.024 131 S HA 0.189 4.660 4.470 0.001 0.000 0.316 131 S C 1.327 175.585 174.600 -0.571 0.000 1.197 131 S CA -0.119 57.755 58.200 -0.544 0.000 1.097 131 S CB -0.161 62.908 63.200 -0.218 0.000 1.471 131 S HN 0.858 nan 8.310 nan 0.000 0.543 132 R N 2.132 122.361 120.500 -0.451 0.000 2.148 132 R HA -0.053 4.287 4.340 0.001 0.000 0.227 132 R C 2.530 178.682 176.300 -0.245 0.000 1.103 132 R CA 1.221 57.026 56.100 -0.492 0.000 0.983 132 R CB -0.366 29.150 30.300 -1.306 0.000 0.874 132 R HN 0.636 nan 8.270 nan 0.000 0.451 133 S N 0.967 116.706 115.700 0.064 0.000 2.359 133 S HA -0.113 4.357 4.470 0.001 0.000 0.224 133 S C 1.886 176.679 174.600 0.321 0.000 1.035 133 S CA 1.136 59.581 58.200 0.409 0.000 1.018 133 S CB -0.065 63.433 63.200 0.496 0.000 0.876 133 S HN 0.217 nan 8.310 nan 0.000 0.448 134 I N 1.111 121.792 120.570 0.184 0.000 2.315 134 I HA -0.126 4.045 4.170 0.001 0.000 0.248 134 I C 2.315 178.538 176.117 0.176 0.000 1.117 134 I CA 0.719 62.157 61.300 0.229 0.000 1.404 134 I CB -0.340 37.728 38.000 0.114 0.000 1.071 134 I HN 0.336 nan 8.210 nan 0.000 0.419 135 L N 0.846 122.102 121.223 0.055 0.000 2.017 135 L HA -0.226 4.114 4.340 0.001 0.000 0.208 135 L C 1.889 178.669 176.870 -0.151 0.000 1.073 135 L CA 2.047 56.800 54.840 -0.144 0.000 0.745 135 L CB -0.745 41.322 42.059 0.012 0.000 0.894 135 L HN 0.149 nan 8.230 nan 0.000 0.432 136 D N -0.297 120.098 120.400 -0.008 0.000 2.310 136 D HA -0.105 4.535 4.640 0.001 0.000 0.212 136 D C 1.013 177.327 176.300 0.023 0.000 0.965 136 D CA 0.796 54.813 54.000 0.029 0.000 0.879 136 D CB -0.070 40.823 40.800 0.155 0.000 0.921 136 D HN 0.513 nan 8.370 nan 0.000 0.510 137 N N -0.396 118.337 118.700 0.056 0.000 2.200 137 N HA 0.084 4.825 4.740 0.001 0.000 0.224 137 N C -0.362 175.156 175.510 0.013 0.000 1.179 137 N CA 0.025 53.090 53.050 0.025 0.000 0.877 137 N CB 1.247 39.767 38.487 0.054 0.000 1.072 137 N HN -0.104 nan 8.380 nan 0.000 0.519 138 S N 0.176 115.853 115.700 -0.038 0.000 2.751 138 S HA 0.303 4.774 4.470 0.001 0.000 0.310 138 S C -0.376 174.102 174.600 -0.204 0.000 1.128 138 S CA -0.708 57.456 58.200 -0.060 0.000 0.931 138 S CB 1.973 65.185 63.200 0.019 0.000 1.177 138 S HN 0.093 nan 8.310 nan 0.000 0.530 139 N N 1.700 120.298 118.700 -0.171 0.000 2.500 139 N HA 0.348 5.089 4.740 0.001 0.000 0.236 139 N C -2.248 173.009 175.510 -0.422 0.000 1.022 139 N CA -2.010 50.919 53.050 -0.202 0.000 0.935 139 N CB 0.930 39.382 38.487 -0.060 0.000 1.147 139 N HN 0.118 nan 8.380 nan 0.000 0.512 140 P HA -0.051 nan 4.420 nan 0.000 0.229 140 P C -0.273 176.856 177.300 -0.285 0.000 1.150 140 P CA 0.925 63.526 63.100 -0.832 0.000 0.765 140 P CB 0.045 31.447 31.700 -0.497 0.000 0.783 141 T N 0.274 114.766 114.554 -0.103 0.000 2.822 141 T HA 0.231 4.582 4.350 0.001 0.000 0.288 141 T C 1.481 176.287 174.700 0.177 0.000 0.991 141 T CA 1.219 63.343 62.100 0.040 0.000 1.176 141 T CB -0.418 68.469 68.868 0.032 0.000 0.951 141 T HN 0.388 nan 8.240 nan 0.000 0.526 142 G N 2.722 111.615 108.800 0.156 0.000 2.162 142 G HA2 -0.231 3.730 3.960 0.001 0.000 0.260 142 G HA3 -0.231 3.730 3.960 0.001 0.000 0.260 142 G C 0.030 175.081 174.900 0.251 0.000 0.976 142 G CA -0.435 44.765 45.100 0.167 0.000 0.655 142 G HN 0.680 nan 8.290 nan 0.000 0.533 143 W N 1.077 122.384 121.300 0.012 0.000 2.253 143 W HA 0.547 5.208 4.660 0.001 0.000 0.322 143 W C 1.522 178.046 176.519 0.007 0.000 1.342 143 W CA 0.051 57.410 57.345 0.022 0.000 1.218 143 W CB 0.463 29.948 29.460 0.043 0.000 1.205 143 W HN 0.264 nan 8.180 nan 0.000 0.551 144 Q N 1.750 121.614 119.800 0.106 0.000 2.432 144 Q HA 0.040 4.380 4.340 0.001 0.000 0.205 144 Q C -0.097 175.919 176.000 0.027 0.000 0.945 144 Q CA 0.711 56.538 55.803 0.039 0.000 0.924 144 Q CB 0.157 28.882 28.738 -0.021 0.000 1.016 144 Q HN 0.361 nan 8.270 nan 0.000 0.503 145 N N -0.182 118.569 118.700 0.086 0.000 2.324 145 N HA 0.262 5.002 4.740 0.001 0.000 0.285 145 N C -0.616 174.941 175.510 0.079 0.000 1.076 145 N CA -0.181 52.858 53.050 -0.018 0.000 0.864 145 N CB 1.893 40.341 38.487 -0.065 0.000 1.632 145 N HN -0.023 nan 8.380 nan 0.000 0.478 146 L N 0.454 121.570 121.223 -0.179 0.000 2.966 146 L HA 0.314 4.655 4.340 0.001 0.000 0.262 146 L C 0.075 176.644 176.870 -0.501 0.000 1.165 146 L CA 0.253 55.027 54.840 -0.110 0.000 0.978 146 L CB 0.453 42.488 42.059 -0.041 0.000 1.337 146 L HN 0.339 nan 8.230 nan 0.000 0.563 147 Q N -0.536 118.691 119.800 -0.956 0.000 2.482 147 Q HA 0.408 4.748 4.340 0.001 0.000 0.286 147 Q C -2.635 172.712 176.000 -1.089 0.000 1.007 147 Q CA -1.825 53.431 55.803 -0.911 0.000 0.801 147 Q CB 2.669 31.167 28.738 -0.401 0.000 1.455 147 Q HN -0.227 nan 8.270 nan 0.000 0.398 148 P HA 0.051 nan 4.420 nan 0.000 0.268 148 P C -0.606 176.152 177.300 -0.903 0.000 1.208 148 P CA 0.325 63.001 63.100 -0.706 0.000 0.777 148 P CB 0.582 31.969 31.700 -0.522 0.000 0.875 149 G N -0.029 108.474 108.800 -0.495 0.000 3.212 149 G HA2 0.661 4.621 3.960 0.001 0.000 0.188 149 G HA3 0.661 4.621 3.960 0.001 0.000 0.188 149 G C -0.367 174.469 174.900 -0.107 0.000 1.254 149 G CA 0.007 44.918 45.100 -0.314 0.000 0.957 149 G HN 0.690 nan 8.290 nan 0.000 0.596 150 A N -1.105 121.695 122.820 -0.035 0.000 5.699 150 A HA -0.095 4.226 4.320 0.001 0.000 0.280 150 A C 0.900 178.591 177.584 0.178 0.000 2.071 150 A CA 0.963 53.043 52.037 0.071 0.000 0.714 150 A CB -1.774 17.268 19.000 0.071 0.000 1.162 150 A HN 1.808 nan 8.150 nan 0.000 0.363 151 S N 0.976 116.844 115.700 0.280 0.000 3.530 151 S HA 0.401 4.872 4.470 0.001 0.000 0.279 151 S C -0.055 174.800 174.600 0.426 0.000 1.280 151 S CA 0.527 58.959 58.200 0.388 0.000 0.946 151 S CB -0.385 63.041 63.200 0.376 0.000 1.501 151 S HN 0.939 nan 8.310 nan 0.000 0.498 152 H N 3.108 122.322 119.070 0.239 0.000 2.864 152 H HA 0.396 4.952 4.556 0.001 0.000 0.281 152 H C -0.494 174.986 175.328 0.253 0.000 1.093 152 H CA -0.635 55.516 56.048 0.172 0.000 1.453 152 H CB -0.087 29.685 29.762 0.018 0.000 1.462 152 H HN 0.449 nan 8.280 nan 0.000 0.480 153 I N 6.498 127.151 120.570 0.139 0.000 2.355 153 I HA 0.292 4.463 4.170 0.001 0.000 0.288 153 I C -0.013 176.038 176.117 -0.109 0.000 0.999 153 I CA -0.723 60.615 61.300 0.064 0.000 1.163 153 I CB 0.996 39.137 38.000 0.235 0.000 1.316 153 I HN 0.489 nan 8.210 nan 0.000 0.454 154 R N 5.244 125.601 120.500 -0.238 0.000 2.196 154 R HA 0.372 4.712 4.340 0.001 0.000 0.340 154 R C -0.761 175.482 176.300 -0.097 0.000 1.043 154 R CA -0.541 55.441 56.100 -0.196 0.000 0.883 154 R CB 1.189 31.343 30.300 -0.243 0.000 1.078 154 R HN 0.351 nan 8.270 nan 0.000 0.462 155 V N 6.462 126.362 119.914 -0.024 0.000 2.397 155 V HA 0.063 4.184 4.120 0.001 0.000 0.262 155 V C 0.531 176.593 176.094 -0.053 0.000 1.047 155 V CA 0.181 62.475 62.300 -0.009 0.000 1.003 155 V CB 0.173 32.041 31.823 0.075 0.000 1.037 155 V HN 0.681 nan 8.190 nan 0.000 0.480 156 L N 5.304 126.444 121.223 -0.138 0.000 3.096 156 L HA 0.252 4.592 4.340 0.001 0.000 0.272 156 L C 0.908 177.718 176.870 -0.100 0.000 1.311 156 L CA -0.322 54.416 54.840 -0.171 0.000 0.943 156 L CB 0.434 42.237 42.059 -0.425 0.000 1.348 156 L HN 0.720 nan 8.230 nan 0.000 0.562 157 T N -2.179 112.357 114.554 -0.030 0.000 2.918 157 T HA 0.306 4.656 4.350 0.001 0.000 0.302 157 T C 0.658 175.380 174.700 0.037 0.000 1.045 157 T CA -0.587 61.517 62.100 0.007 0.000 1.114 157 T CB 1.367 70.242 68.868 0.012 0.000 0.965 157 T HN 0.338 nan 8.240 nan 0.000 0.540 158 S N 1.866 117.593 115.700 0.044 0.000 2.601 158 S HA 0.341 4.812 4.470 0.001 0.000 0.271 158 S C -1.826 172.799 174.600 0.042 0.000 1.305 158 S CA -1.356 56.873 58.200 0.048 0.000 1.022 158 S CB 0.888 64.115 63.200 0.045 0.000 0.940 158 S HN 0.469 nan 8.310 nan 0.000 0.525 159 P HA -0.191 nan 4.420 nan 0.000 0.216 159 P C 1.718 179.038 177.300 0.034 0.000 1.154 159 P CA 2.006 65.132 63.100 0.043 0.000 0.865 159 P CB -0.203 31.523 31.700 0.042 0.000 0.789 160 S N -1.655 114.062 115.700 0.028 0.000 2.507 160 S HA 0.069 4.540 4.470 0.001 0.000 0.235 160 S C 1.146 175.756 174.600 0.017 0.000 0.988 160 S CA 0.705 58.917 58.200 0.021 0.000 0.944 160 S CB -0.587 62.623 63.200 0.017 0.000 0.762 160 S HN 0.133 nan 8.310 nan 0.000 0.526 161 A N 1.221 124.052 122.820 0.019 0.000 3.409 161 A HA 0.657 4.978 4.320 0.001 0.000 0.282 161 A C -2.036 175.559 177.584 0.017 0.000 1.064 161 A CA -1.166 50.879 52.037 0.013 0.000 0.889 161 A CB 0.646 19.649 19.000 0.004 0.000 1.251 161 A HN 0.165 nan 8.150 nan 0.000 0.538 162 P HA -0.204 nan 4.420 nan 0.000 0.215 162 P C 0.186 177.514 177.300 0.046 0.000 1.163 162 P CA 1.404 64.529 63.100 0.042 0.000 0.894 162 P CB 0.070 31.793 31.700 0.039 0.000 0.791 163 Q N -0.915 118.908 119.800 0.039 0.000 2.311 163 Q HA 0.298 4.638 4.340 0.001 0.000 0.272 163 Q C 1.296 177.305 176.000 0.016 0.000 1.012 163 Q CA 0.326 56.161 55.803 0.055 0.000 0.891 163 Q CB 0.106 28.881 28.738 0.062 0.000 1.201 163 Q HN 0.074 nan 8.270 nan 0.000 0.391 164 A N 3.044 125.888 122.820 0.039 0.000 1.898 164 A HA -0.005 4.316 4.320 0.001 0.000 0.216 164 A C -0.048 177.287 177.584 -0.416 0.000 1.181 164 A CA 1.059 53.022 52.037 -0.123 0.000 0.620 164 A CB 0.109 19.155 19.000 0.076 0.000 0.819 164 A HN 0.614 nan 8.150 nan 0.000 0.442 165 F N -1.474 118.527 119.950 0.086 0.000 2.507 165 F HA 0.575 5.103 4.527 0.001 0.000 0.328 165 F C -0.631 175.227 175.800 0.097 0.000 1.136 165 F CA -0.928 57.139 58.000 0.112 0.000 0.930 165 F CB 2.059 41.140 39.000 0.135 0.000 1.166 165 F HN 0.000 nan 8.300 nan 0.000 0.436 166 L N 5.230 126.593 121.223 0.233 0.000 2.345 166 L HA 0.659 4.999 4.340 0.001 0.000 0.274 166 L C -1.265 175.731 176.870 0.209 0.000 0.999 166 L CA -0.627 54.319 54.840 0.177 0.000 0.849 166 L CB 1.358 43.474 42.059 0.095 0.000 1.220 166 L HN 0.342 nan 8.230 nan 0.000 0.422 167 V N 6.070 126.135 119.914 0.251 0.000 2.385 167 V HA 0.600 4.720 4.120 0.001 0.000 0.269 167 V C -0.125 176.079 176.094 0.183 0.000 1.043 167 V CA -0.406 62.056 62.300 0.270 0.000 0.906 167 V CB 0.630 32.708 31.823 0.425 0.000 0.995 167 V HN 0.850 nan 8.190 nan 0.000 0.467 168 K N 4.391 124.872 120.400 0.135 0.000 2.598 168 K HA 0.791 5.112 4.320 0.001 0.000 0.271 168 K C -1.240 175.398 176.600 0.063 0.000 0.947 168 K CA -1.148 55.190 56.287 0.086 0.000 0.854 168 K CB 2.522 35.059 32.500 0.062 0.000 1.401 168 K HN 0.494 nan 8.250 nan 0.000 0.415 169 R N 1.205 121.731 120.500 0.043 0.000 2.629 169 R HA 0.631 4.971 4.340 0.001 0.000 0.266 169 R C -1.536 174.774 176.300 0.017 0.000 1.051 169 R CA -0.477 55.640 56.100 0.029 0.000 0.895 169 R CB 2.382 32.697 30.300 0.026 0.000 1.246 169 R HN 0.906 nan 8.270 nan 0.000 0.459 170 A N 1.561 124.389 122.820 0.013 0.000 2.248 170 A HA 0.863 5.184 4.320 0.001 0.000 0.316 170 A C 0.232 177.819 177.584 0.006 0.000 1.101 170 A CA 0.097 52.139 52.037 0.008 0.000 0.875 170 A CB 0.543 19.548 19.000 0.008 0.000 1.207 170 A HN 1.245 nan 8.150 nan 0.000 0.504 171 G N -0.339 108.463 108.800 0.004 0.000 2.782 171 G HA2 -0.001 3.959 3.960 0.001 0.000 0.228 171 G HA3 -0.001 3.959 3.960 0.001 0.000 0.228 171 G C -0.968 173.932 174.900 0.001 0.000 1.372 171 G CA -0.034 45.068 45.100 0.003 0.000 0.862 171 G HN 0.884 nan 8.290 nan 0.000 0.547 172 D N 1.201 121.603 120.400 0.003 0.000 2.228 172 D HA 0.798 5.439 4.640 0.001 0.000 0.247 172 D C -2.074 174.228 176.300 0.004 0.000 0.995 172 D CA 0.228 54.229 54.000 0.002 0.000 0.903 172 D CB 1.281 42.082 40.800 0.002 0.000 1.205 172 D HN 0.636 nan 8.370 nan 0.000 0.459 173 P HA -0.065 nan 4.420 nan 0.000 0.299 173 P C -1.292 176.005 177.300 -0.005 0.000 1.969 173 P CA -0.260 62.842 63.100 0.003 0.000 1.764 173 P CB 0.399 32.104 31.700 0.007 0.000 0.237 174 R N 1.251 121.747 120.500 -0.006 0.000 2.582 174 R HA 0.481 4.822 4.340 0.001 0.000 0.271 174 R C 0.356 176.655 176.300 -0.001 0.000 1.078 174 R CA -0.761 55.331 56.100 -0.012 0.000 1.127 174 R CB 0.310 30.593 30.300 -0.028 0.000 1.038 174 R HN 0.318 nan 8.270 nan 0.000 0.500 175 L N 1.839 123.077 121.223 0.025 0.000 2.490 175 L HA 0.051 4.391 4.340 0.001 0.000 0.274 175 L C 0.294 177.293 176.870 0.214 0.000 1.201 175 L CA 0.504 55.398 54.840 0.089 0.000 0.869 175 L CB 0.548 42.741 42.059 0.224 0.000 1.123 175 L HN 0.793 nan 8.230 nan 0.000 0.484 176 S N 0.346 116.090 115.700 0.073 0.000 2.595 176 S HA 0.706 5.176 4.470 0.001 0.000 0.281 176 S C 0.477 175.082 174.600 0.008 0.000 1.117 176 S CA -0.237 58.064 58.200 0.169 0.000 0.873 176 S CB 1.889 65.155 63.200 0.111 0.000 1.108 176 S HN 1.033 nan 8.310 nan 0.000 0.477 177 G N 0.608 109.522 108.800 0.190 0.000 2.180 177 G HA2 -0.246 3.714 3.960 0.001 0.000 0.263 177 G HA3 -0.246 3.714 3.960 0.001 0.000 0.263 177 G C 0.007 174.829 174.900 -0.130 0.000 0.989 177 G CA 0.425 45.614 45.100 0.150 0.000 0.692 177 G HN 0.891 nan 8.290 nan 0.000 0.526 178 I N 0.410 120.607 120.570 -0.622 0.000 2.556 178 I HA 0.303 4.474 4.170 0.001 0.000 0.284 178 I C 0.527 176.291 176.117 -0.588 0.000 1.114 178 I CA -0.172 60.641 61.300 -0.811 0.000 1.418 178 I CB 1.161 38.377 38.000 -1.307 0.000 1.394 178 I HN -0.103 nan 8.210 nan 0.000 0.552 179 V N 7.372 127.022 119.914 -0.440 0.000 2.487 179 V HA 0.389 4.509 4.120 0.001 0.000 0.298 179 V C -0.687 175.184 176.094 -0.371 0.000 1.028 179 V CA -0.584 61.561 62.300 -0.259 0.000 0.860 179 V CB 1.620 33.358 31.823 -0.142 0.000 0.991 179 V HN 0.350 nan 8.190 nan 0.000 0.427 180 F N 5.095 124.989 119.950 -0.094 0.000 2.427 180 F HA 0.773 5.301 4.527 0.001 0.000 0.348 180 F C 0.389 176.129 175.800 -0.101 0.000 1.125 180 F CA -0.499 57.470 58.000 -0.052 0.000 0.989 180 F CB 1.505 40.462 39.000 -0.071 0.000 1.165 180 F HN 0.545 nan 8.300 nan 0.000 0.442 181 R N 1.588 122.167 120.500 0.131 0.000 2.707 181 R HA 0.430 4.771 4.340 0.001 0.000 0.272 181 R C -1.290 175.057 176.300 0.078 0.000 1.011 181 R CA -0.868 55.235 56.100 0.005 0.000 0.893 181 R CB 1.568 31.816 30.300 -0.087 0.000 1.233 181 R HN 0.520 nan 8.270 nan 0.000 0.464 182 D N 1.008 121.406 120.400 -0.003 0.000 2.701 182 D HA -0.208 4.433 4.640 0.001 0.000 0.235 182 D C -0.598 175.816 176.300 0.191 0.000 1.155 182 D CA 1.891 55.929 54.000 0.063 0.000 0.649 182 D CB -1.229 39.593 40.800 0.036 0.000 1.050 182 D HN 0.454 nan 8.370 nan 0.000 0.425 183 F N -2.085 117.867 119.950 0.003 0.000 2.692 183 F HA 0.632 5.160 4.527 0.001 0.000 0.320 183 F C -0.891 174.901 175.800 -0.013 0.000 1.123 183 F CA -1.510 56.506 58.000 0.027 0.000 0.961 183 F CB 1.515 40.529 39.000 0.023 0.000 1.383 183 F HN 0.009 nan 8.300 nan 0.000 0.483 184 C N 3.164 122.644 119.300 0.299 0.000 2.345 184 C HA 0.789 5.249 4.460 0.001 0.000 0.323 184 C C -0.814 174.313 174.990 0.227 0.000 1.276 184 C CA -0.706 58.396 59.018 0.141 0.000 1.543 184 C CB -0.037 27.822 27.740 0.197 0.000 2.211 184 C HN 0.802 nan 8.230 nan 0.000 0.493 185 L N 5.548 126.790 121.223 0.031 0.000 2.298 185 L HA 0.447 4.788 4.340 0.001 0.000 0.284 185 L C -0.694 176.302 176.870 0.209 0.000 1.013 185 L CA 0.043 54.974 54.840 0.151 0.000 0.824 185 L CB 1.241 43.359 42.059 0.099 0.000 1.221 185 L HN 0.698 nan 8.230 nan 0.000 0.418 186 D N 2.135 122.663 120.400 0.212 0.000 2.492 186 D HA 0.325 4.966 4.640 0.001 0.000 0.248 186 D C 0.847 177.235 176.300 0.146 0.000 1.101 186 D CA -0.471 53.652 54.000 0.206 0.000 0.840 186 D CB 2.195 43.172 40.800 0.294 0.000 1.209 186 D HN 0.493 nan 8.370 nan 0.000 0.524 187 G N 2.028 110.925 108.800 0.161 0.000 2.920 187 G HA2 0.133 4.094 3.960 0.001 0.000 0.208 187 G HA3 0.133 4.094 3.960 0.001 0.000 0.208 187 G C 1.245 176.180 174.900 0.058 0.000 1.159 187 G CA 0.532 45.699 45.100 0.112 0.000 0.784 187 G HN 0.668 nan 8.290 nan 0.000 0.535 188 V N -1.160 118.787 119.914 0.056 0.000 0.489 188 V HA -0.237 3.884 4.120 0.001 0.000 0.092 188 V C 1.303 177.420 176.094 0.038 0.000 2.367 188 V CA 2.173 64.483 62.300 0.017 0.000 3.630 188 V CB -1.637 30.190 31.823 0.005 0.000 0.914 188 V HN 1.362 nan 8.190 nan 0.000 0.957 189 G N -2.142 106.684 108.800 0.043 0.000 2.576 189 G HA2 0.622 4.583 3.960 0.001 0.000 0.290 189 G HA3 0.622 4.583 3.960 0.001 0.000 0.290 189 G C -1.812 172.983 174.900 -0.174 0.000 1.442 189 G CA -0.543 44.582 45.100 0.042 0.000 0.792 189 G HN 0.188 nan 8.290 nan 0.000 0.491 190 F N 0.541 120.534 119.950 0.071 0.000 2.422 190 F HA 0.765 5.292 4.527 0.001 0.000 0.333 190 F C 0.696 176.519 175.800 0.038 0.000 1.095 190 F CA -0.720 57.262 58.000 -0.029 0.000 1.038 190 F CB 2.534 41.424 39.000 -0.183 0.000 1.156 190 F HN 0.270 nan 8.300 nan 0.000 0.483 191 T N 4.313 119.038 114.554 0.286 0.000 2.921 191 T HA 0.302 4.653 4.350 0.001 0.000 0.297 191 T C -1.979 172.798 174.700 0.128 0.000 1.013 191 T CA -0.971 61.231 62.100 0.169 0.000 0.990 191 T CB 2.256 71.207 68.868 0.138 0.000 1.023 191 T HN 0.216 nan 8.240 nan 0.000 0.447 192 P HA 0.088 nan 4.420 nan 0.000 0.216 192 P C 0.814 178.149 177.300 0.059 0.000 1.153 192 P CA 0.533 63.666 63.100 0.054 0.000 0.844 192 P CB 0.005 31.719 31.700 0.023 0.000 0.787 193 G N 0.383 109.217 108.800 0.056 0.000 2.415 193 G HA2 0.149 4.110 3.960 0.001 0.000 0.269 193 G HA3 0.149 4.110 3.960 0.001 0.000 0.269 193 G C 0.792 175.759 174.900 0.112 0.000 1.209 193 G CA -0.399 44.735 45.100 0.056 0.000 0.835 193 G HN 0.212 nan 8.290 nan 0.000 0.534 194 K N 0.747 121.209 120.400 0.104 0.000 2.362 194 K HA -0.021 4.299 4.320 0.001 0.000 0.200 194 K C 0.471 177.207 176.600 0.227 0.000 1.046 194 K CA 0.898 57.285 56.287 0.166 0.000 0.952 194 K CB 0.175 32.747 32.500 0.119 0.000 0.753 194 K HN 0.305 nan 8.250 nan 0.000 0.466 195 N N 1.188 119.972 118.700 0.140 0.000 2.328 195 N HA 0.017 4.758 4.740 0.001 0.000 0.247 195 N C 0.534 176.135 175.510 0.151 0.000 1.165 195 N CA 0.351 53.501 53.050 0.166 0.000 0.873 195 N CB 1.253 39.728 38.487 -0.021 0.000 1.125 195 N HN 0.365 nan 8.380 nan 0.000 0.513 196 S N -0.455 115.277 115.700 0.053 0.000 2.436 196 S HA -0.081 4.389 4.470 0.001 0.000 0.228 196 S C 0.528 175.129 174.600 0.001 0.000 1.014 196 S CA 0.214 58.446 58.200 0.053 0.000 0.950 196 S CB -0.389 62.843 63.200 0.054 0.000 0.784 196 S HN 0.342 nan 8.310 nan 0.000 0.504 197 Y N 0.606 120.270 120.300 -1.059 0.000 4.177 197 Y HA -0.213 4.338 4.550 0.001 0.000 0.227 197 Y C 0.043 175.345 175.900 -0.997 0.000 1.154 197 Y CA 0.823 57.864 58.100 -1.765 0.000 1.887 197 Y CB -2.530 35.484 38.460 -0.743 0.000 1.594 197 Y HN 0.551 nan 8.280 nan 0.000 0.668 198 H N 0.305 119.097 119.070 -0.462 0.000 2.600 198 H HA 0.621 5.177 4.556 0.001 0.000 0.357 198 H C 0.566 176.014 175.328 0.199 0.000 1.106 198 H CA -0.562 55.459 56.048 -0.044 0.000 1.193 198 H CB 1.200 30.950 29.762 -0.020 0.000 1.594 198 H HN 0.176 nan 8.280 nan 0.000 0.526 199 N N 0.302 119.168 118.700 0.277 0.000 1.890 199 N HA 0.039 4.779 4.740 0.001 0.000 0.221 199 N C 0.961 176.583 175.510 0.187 0.000 1.445 199 N CA 0.317 53.523 53.050 0.259 0.000 0.703 199 N CB -0.055 38.615 38.487 0.305 0.000 1.071 199 N HN 0.831 nan 8.380 nan 0.000 0.582 200 G N 0.502 109.407 108.800 0.175 0.000 2.180 200 G HA2 -0.371 3.590 3.960 0.001 0.000 0.263 200 G HA3 -0.371 3.590 3.960 0.001 0.000 0.263 200 G C -0.398 174.597 174.900 0.159 0.000 0.989 200 G CA 1.081 46.278 45.100 0.161 0.000 0.692 200 G HN 0.600 nan 8.290 nan 0.000 0.526 201 K N -0.005 120.500 120.400 0.175 0.000 2.118 201 K HA 0.676 4.996 4.320 0.001 0.000 0.254 201 K C -0.238 176.481 176.600 0.199 0.000 0.961 201 K CA -0.411 55.971 56.287 0.159 0.000 0.876 201 K CB 1.603 34.188 32.500 0.143 0.000 1.077 201 K HN 0.072 nan 8.250 nan 0.000 0.440 202 T N 0.277 114.932 114.554 0.168 0.000 2.876 202 T HA 0.278 4.629 4.350 0.001 0.000 0.289 202 T C 0.846 175.661 174.700 0.192 0.000 1.014 202 T CA -0.768 61.443 62.100 0.184 0.000 0.986 202 T CB 1.859 70.796 68.868 0.115 0.000 1.021 202 T HN 0.756 nan 8.240 nan 0.000 0.458 203 G N 1.610 110.554 108.800 0.239 0.000 2.518 203 G HA2 0.285 4.246 3.960 0.001 0.000 0.213 203 G HA3 0.285 4.246 3.960 0.001 0.000 0.213 203 G C 0.155 175.244 174.900 0.315 0.000 1.226 203 G CA 0.358 45.658 45.100 0.333 0.000 0.822 203 G HN 0.650 nan 8.290 nan 0.000 0.546 204 I N 0.270 120.963 120.570 0.206 0.000 2.478 204 I HA 0.364 4.534 4.170 0.001 0.000 0.287 204 I C -1.290 174.853 176.117 0.044 0.000 1.042 204 I CA -0.488 60.847 61.300 0.058 0.000 1.067 204 I CB 2.636 40.498 38.000 -0.231 0.000 1.233 204 I HN 0.228 nan 8.210 nan 0.000 0.431 205 E N 6.288 126.541 120.200 0.087 0.000 2.246 205 E HA 0.507 4.857 4.350 0.001 0.000 0.266 205 E C -1.808 174.862 176.600 0.117 0.000 0.880 205 E CA -0.617 55.826 56.400 0.072 0.000 0.762 205 E CB 2.186 31.913 29.700 0.044 0.000 1.180 205 E HN 0.332 nan 8.360 nan 0.000 0.416 206 V N 4.670 124.648 119.914 0.107 0.000 2.294 206 V HA 0.349 4.470 4.120 0.001 0.000 0.272 206 V C 0.796 176.915 176.094 0.041 0.000 1.027 206 V CA 0.164 62.539 62.300 0.125 0.000 0.823 206 V CB 0.650 32.550 31.823 0.128 0.000 1.030 206 V HN 0.886 nan 8.190 nan 0.000 0.457 207 A N 3.722 126.569 122.820 0.045 0.000 2.081 207 A HA 0.224 4.545 4.320 0.001 0.000 0.214 207 A C 1.243 178.823 177.584 -0.008 0.000 1.158 207 A CA 0.381 52.425 52.037 0.013 0.000 0.724 207 A CB 0.150 19.162 19.000 0.020 0.000 0.826 207 A HN 0.625 nan 8.150 nan 0.000 0.463 208 S N 1.025 116.720 115.700 -0.008 0.000 2.651 208 S HA 0.387 4.858 4.470 0.001 0.000 0.291 208 S C -0.934 173.615 174.600 -0.086 0.000 1.141 208 S CA -0.784 57.398 58.200 -0.030 0.000 1.027 208 S CB 0.836 64.034 63.200 -0.005 0.000 1.043 208 S HN 0.385 nan 8.310 nan 0.000 0.530 209 D N 2.533 122.881 120.400 -0.087 0.000 2.488 209 D HA 0.165 4.805 4.640 0.001 0.000 0.238 209 D C 0.004 176.194 176.300 -0.184 0.000 1.138 209 D CA 0.508 54.432 54.000 -0.127 0.000 0.873 209 D CB -0.002 40.743 40.800 -0.092 0.000 1.183 209 D HN 0.643 nan 8.370 nan 0.000 0.458 210 N N -0.126 118.389 118.700 -0.309 0.000 2.265 210 N HA 0.540 5.281 4.740 0.001 0.000 0.300 210 N C -1.593 173.726 175.510 -0.318 0.000 1.148 210 N CA -0.993 51.752 53.050 -0.509 0.000 0.772 210 N CB 2.067 39.716 38.487 -1.398 0.000 1.434 210 N HN 0.055 nan 8.380 nan 0.000 0.481 211 D N -0.573 119.755 120.400 -0.120 0.000 2.787 211 D HA 0.387 5.028 4.640 0.001 0.000 0.246 211 D C -0.758 175.671 176.300 0.215 0.000 1.150 211 D CA -0.188 53.829 54.000 0.028 0.000 0.864 211 D CB 1.417 42.242 40.800 0.042 0.000 1.481 211 D HN 0.632 nan 8.370 nan 0.000 0.509 212 S N 2.114 117.917 115.700 0.172 0.000 3.682 212 S HA -0.204 4.266 4.470 0.001 0.000 0.354 212 S C -0.189 174.624 174.600 0.356 0.000 1.034 212 S CA -0.029 58.294 58.200 0.204 0.000 1.084 212 S CB -1.490 61.806 63.200 0.160 0.000 0.903 212 S HN 0.384 nan 8.310 nan 0.000 0.470 213 F N 1.629 121.621 119.950 0.070 0.000 2.410 213 F HA 0.548 5.075 4.527 0.001 0.000 0.334 213 F C 0.912 176.811 175.800 0.167 0.000 1.134 213 F CA -0.440 57.631 58.000 0.118 0.000 1.227 213 F CB 0.690 39.768 39.000 0.130 0.000 1.194 213 F HN 0.386 nan 8.300 nan 0.000 0.571 214 H N 3.511 122.690 119.070 0.180 0.000 2.840 214 H HA 0.456 5.012 4.556 0.001 0.000 0.340 214 H C -1.372 174.042 175.328 0.143 0.000 1.004 214 H CA -1.063 55.062 56.048 0.127 0.000 1.288 214 H CB 0.752 30.552 29.762 0.062 0.000 1.607 214 H HN 0.269 nan 8.280 nan 0.000 0.522 215 I N 5.095 125.881 120.570 0.360 0.000 2.464 215 I HA 0.236 4.406 4.170 0.001 0.000 0.277 215 I C 0.269 176.441 176.117 0.092 0.000 1.040 215 I CA -0.183 61.237 61.300 0.199 0.000 1.153 215 I CB 0.861 39.001 38.000 0.234 0.000 1.274 215 I HN 0.518 nan 8.210 nan 0.000 0.469 216 T N 3.273 117.776 114.554 -0.085 0.000 2.896 216 T HA 0.764 5.114 4.350 0.001 0.000 0.297 216 T C 0.062 174.716 174.700 -0.077 0.000 1.108 216 T CA 0.513 62.564 62.100 -0.082 0.000 1.004 216 T CB 1.901 70.661 68.868 -0.179 0.000 1.159 216 T HN 1.072 nan 8.240 nan 0.000 0.499 220 F N 1.534 121.615 119.950 0.217 0.000 2.482 220 F HA 0.789 5.316 4.527 0.001 0.000 0.331 220 F C 0.175 176.179 175.800 0.341 0.000 1.115 220 F CA -1.041 57.084 58.000 0.208 0.000 0.955 220 F CB 2.637 41.718 39.000 0.135 0.000 1.136 220 F HN 0.397 nan 8.300 nan 0.000 0.452 221 V N 4.223 124.429 119.914 0.486 0.000 2.891 221 V HA 0.412 4.532 4.120 0.001 0.000 0.304 221 V C -1.199 175.149 176.094 0.423 0.000 1.171 221 V CA -0.708 61.880 62.300 0.480 0.000 0.943 221 V CB 1.483 33.493 31.823 0.311 0.000 1.037 221 V HN 0.617 nan 8.190 nan 0.000 0.427 222 Y N 4.294 124.715 120.300 0.203 0.000 3.305 222 Y HA -0.192 4.359 4.550 0.001 0.000 0.212 222 Y C -0.280 175.660 175.900 0.066 0.000 1.248 222 Y CA 0.966 59.041 58.100 -0.043 0.000 1.359 222 Y CB -1.151 37.079 38.460 -0.384 0.000 1.407 222 Y HN 0.488 nan 8.280 nan 0.000 0.572 223 L N -0.108 121.338 121.223 0.372 0.000 2.346 223 L HA 0.297 4.638 4.340 0.001 0.000 0.276 223 L C 1.575 178.616 176.870 0.286 0.000 1.006 223 L CA -0.628 54.398 54.840 0.310 0.000 0.817 223 L CB 1.740 43.973 42.059 0.291 0.000 1.272 223 L HN 0.155 nan 8.230 nan 0.000 0.421 224 E N 1.454 121.783 120.200 0.216 0.000 2.118 224 E HA -0.115 4.236 4.350 0.001 0.000 0.195 224 E C -0.125 176.304 176.600 -0.285 0.000 0.992 224 E CA 1.110 57.488 56.400 -0.037 0.000 0.804 224 E CB 0.315 29.985 29.700 -0.049 0.000 0.741 224 E HN 0.460 nan 8.360 nan 0.000 0.458 225 H N -1.673 117.431 119.070 0.057 0.000 2.823 225 H HA 0.320 4.877 4.556 0.001 0.000 0.332 225 H C 0.051 175.387 175.328 0.015 0.000 0.980 225 H CA 0.038 56.091 56.048 0.007 0.000 1.286 225 H CB 2.008 31.768 29.762 -0.003 0.000 1.541 225 H HN 0.134 nan 8.280 nan 0.000 0.521 226 A N 3.732 126.561 122.820 0.015 0.000 1.831 226 A HA 0.045 4.365 4.320 0.001 0.000 0.213 226 A C 0.453 177.855 177.584 -0.303 0.000 1.223 226 A CA 0.836 52.786 52.037 -0.144 0.000 0.604 226 A CB 0.163 18.915 19.000 -0.414 0.000 0.878 226 A HN 0.409 nan 8.150 nan 0.000 0.450 227 L N -0.353 120.634 121.223 -0.394 0.000 2.385 227 L HA 0.689 5.030 4.340 0.001 0.000 0.273 227 L C -1.308 175.492 176.870 -0.116 0.000 0.990 227 L CA -0.307 54.360 54.840 -0.288 0.000 0.821 227 L CB 1.693 43.487 42.059 -0.443 0.000 1.279 227 L HN 0.332 nan 8.230 nan 0.000 0.412 228 I N 5.454 125.996 120.570 -0.047 0.000 2.498 228 I HA 0.578 4.748 4.170 0.001 0.000 0.290 228 I C -1.160 174.959 176.117 0.003 0.000 1.032 228 I CA -0.847 60.441 61.300 -0.021 0.000 1.073 228 I CB 2.213 40.197 38.000 -0.027 0.000 1.251 228 I HN 0.273 nan 8.210 nan 0.000 0.426 229 V N 6.061 125.977 119.914 0.004 0.000 2.498 229 V HA 0.377 4.498 4.120 0.001 0.000 0.283 229 V C -0.210 175.886 176.094 0.004 0.000 1.015 229 V CA -0.619 61.687 62.300 0.010 0.000 0.867 229 V CB 1.670 33.509 31.823 0.028 0.000 1.025 229 V HN 0.690 nan 8.190 nan 0.000 0.441 230 R N 2.994 123.484 120.500 -0.018 0.000 2.357 230 R HA 0.568 4.908 4.340 0.001 0.000 0.296 230 R C 1.068 177.331 176.300 -0.061 0.000 1.052 230 R CA 0.791 56.877 56.100 -0.023 0.000 0.988 230 R CB 1.193 31.477 30.300 -0.026 0.000 1.025 230 R HN 1.158 nan 8.270 nan 0.000 0.469 231 G N 2.443 111.204 108.800 -0.065 0.000 2.338 231 G HA2 -0.285 3.676 3.960 0.001 0.000 0.296 231 G HA3 -0.285 3.676 3.960 0.001 0.000 0.296 231 G C -0.065 174.746 174.900 -0.149 0.000 1.040 231 G CA 0.302 45.334 45.100 -0.114 0.000 1.004 231 G HN 0.820 nan 8.290 nan 0.000 0.509 232 A N -0.144 122.603 122.820 -0.122 0.000 2.401 232 A HA 0.619 4.939 4.320 0.001 0.000 0.259 232 A C 0.220 177.725 177.584 -0.130 0.000 1.103 232 A CA 0.341 52.309 52.037 -0.115 0.000 0.789 232 A CB 0.856 19.865 19.000 0.014 0.000 1.035 232 A HN 0.617 nan 8.150 nan 0.000 0.491 233 D N 0.819 121.153 120.400 -0.110 0.000 2.736 233 D HA 0.485 5.125 4.640 0.001 0.000 0.243 233 D C 0.157 176.440 176.300 -0.028 0.000 1.304 233 D CA 0.702 54.653 54.000 -0.081 0.000 0.934 233 D CB 1.195 41.943 40.800 -0.087 0.000 1.382 233 D HN 1.511 nan 8.370 nan 0.000 0.571 234 A N 2.662 125.477 122.820 -0.008 0.000 2.872 234 A HA -0.211 4.110 4.320 0.001 0.000 0.273 234 A C 0.059 177.666 177.584 0.038 0.000 1.442 234 A CA 0.799 52.844 52.037 0.013 0.000 0.801 234 A CB -2.226 16.784 19.000 0.015 0.000 1.031 234 A HN 0.666 nan 8.150 nan 0.000 0.582 235 L N -0.359 120.895 121.223 0.051 0.000 2.417 235 L HA 0.718 5.058 4.340 0.001 0.000 0.268 235 L C 0.579 177.496 176.870 0.078 0.000 1.158 235 L CA 0.194 55.091 54.840 0.096 0.000 0.819 235 L CB 0.644 42.762 42.059 0.098 0.000 1.112 235 L HN 0.343 nan 8.230 nan 0.000 0.458 236 R N 3.279 123.843 120.500 0.107 0.000 2.502 236 R HA 0.648 4.989 4.340 0.001 0.000 0.300 236 R C -1.742 174.673 176.300 0.192 0.000 0.984 236 R CA -0.698 55.448 56.100 0.078 0.000 0.882 236 R CB 1.984 32.222 30.300 -0.103 0.000 1.180 236 R HN 0.531 nan 8.270 nan 0.000 0.444 237 V N 5.649 125.645 119.914 0.135 0.000 2.357 237 V HA 0.360 4.480 4.120 0.001 0.000 0.281 237 V C -0.766 175.387 176.094 0.098 0.000 1.015 237 V CA -0.858 61.520 62.300 0.130 0.000 0.827 237 V CB 1.121 32.988 31.823 0.074 0.000 1.018 237 V HN 0.836 nan 8.190 nan 0.000 0.432 238 N N 2.300 121.076 118.700 0.128 0.000 2.396 238 N HA 0.318 5.059 4.740 0.001 0.000 0.275 238 N C -0.473 175.076 175.510 0.064 0.000 1.218 238 N CA -0.569 52.532 53.050 0.085 0.000 0.812 238 N CB 2.205 40.753 38.487 0.102 0.000 1.592 238 N HN 0.315 nan 8.380 nan 0.000 0.480 239 D N -0.461 119.952 120.400 0.021 0.000 2.723 239 D HA -0.148 4.492 4.640 0.001 0.000 0.236 239 D C -0.924 175.379 176.300 0.004 0.000 1.138 239 D CA 0.910 54.909 54.000 -0.001 0.000 0.676 239 D CB -1.131 39.671 40.800 0.004 0.000 1.069 239 D HN 0.621 nan 8.370 nan 0.000 0.430 243 A N 3.603 126.569 122.820 0.244 0.000 2.594 243 A HA 0.840 5.160 4.320 0.001 0.000 0.291 243 A C -0.031 177.849 177.584 0.494 0.000 1.105 243 A CA -0.412 51.794 52.037 0.281 0.000 0.694 243 A CB 1.573 20.715 19.000 0.238 0.000 1.291 243 A HN 0.734 nan 8.150 nan 0.000 0.410 244 E N -1.196 119.306 120.200 0.503 0.000 2.416 244 E HA -0.196 4.155 4.350 0.001 0.000 0.249 244 E C -0.629 176.356 176.600 0.643 0.000 1.124 244 E CA 0.739 57.517 56.400 0.630 0.000 0.732 244 E CB -1.960 28.170 29.700 0.718 0.000 1.286 244 E HN 0.639 nan 8.360 nan 0.000 0.394 245 C N -0.865 118.745 119.300 0.518 0.000 2.561 245 C HA 0.513 4.973 4.460 0.001 0.000 0.319 245 C C 2.119 177.265 174.990 0.261 0.000 1.198 245 C CA -0.097 59.161 59.018 0.400 0.000 1.665 245 C CB 1.332 29.213 27.740 0.236 0.000 2.258 245 C HN 0.602 nan 8.230 nan 0.000 0.493 246 G N 1.912 110.776 108.800 0.107 0.000 2.418 246 G HA2 -0.070 3.891 3.960 0.001 0.000 0.217 246 G HA3 -0.070 3.891 3.960 0.001 0.000 0.217 246 G C 0.165 174.916 174.900 -0.248 0.000 1.158 246 G CA 0.969 45.962 45.100 -0.178 0.000 0.771 246 G HN 0.808 nan 8.290 nan 0.000 0.545 247 N N -2.560 116.012 118.700 -0.214 0.000 2.225 247 N HA 0.447 5.187 4.740 0.001 0.000 0.298 247 N C -0.127 175.318 175.510 -0.109 0.000 1.076 247 N CA -0.681 52.265 53.050 -0.174 0.000 0.792 247 N CB 2.117 40.495 38.487 -0.181 0.000 1.498 247 N HN -0.014 nan 8.380 nan 0.000 0.474 248 C N -0.142 119.088 119.300 -0.118 0.000 3.082 248 C HA 0.372 4.833 4.460 0.001 0.000 0.281 248 C C 0.395 175.270 174.990 -0.192 0.000 1.450 248 C CA -0.014 58.914 59.018 -0.151 0.000 1.688 248 C CB 0.066 27.717 27.740 -0.148 0.000 2.049 248 C HN 0.467 nan 8.230 nan 0.000 0.641 249 V N 2.021 121.848 119.914 -0.145 0.000 2.443 249 V HA 0.357 4.478 4.120 0.001 0.000 0.293 249 V C -1.056 174.992 176.094 -0.077 0.000 1.021 249 V CA -0.102 62.121 62.300 -0.129 0.000 0.848 249 V CB 1.259 33.011 31.823 -0.119 0.000 0.998 249 V HN 0.474 nan 8.190 nan 0.000 0.424 250 E N 5.525 125.692 120.200 -0.055 0.000 2.149 250 E HA 0.450 4.801 4.350 0.001 0.000 0.255 250 E C -0.994 175.591 176.600 -0.025 0.000 0.888 250 E CA -0.400 55.984 56.400 -0.026 0.000 0.742 250 E CB 1.642 31.348 29.700 0.009 0.000 1.164 250 E HN 0.566 nan 8.360 nan 0.000 0.422 251 L N 3.971 125.166 121.223 -0.046 0.000 2.352 251 L HA 0.224 4.565 4.340 0.001 0.000 0.272 251 L C 0.721 177.617 176.870 0.043 0.000 1.109 251 L CA -0.487 54.341 54.840 -0.019 0.000 0.952 251 L CB -0.371 41.562 42.059 -0.210 0.000 1.314 251 L HN 0.493 nan 8.230 nan 0.000 0.427 252 T N -1.945 112.636 114.554 0.046 0.000 2.849 252 T HA 0.709 5.060 4.350 0.001 0.000 0.276 252 T C 1.166 175.890 174.700 0.040 0.000 0.971 252 T CA 0.246 62.370 62.100 0.039 0.000 0.949 252 T CB 2.079 70.953 68.868 0.011 0.000 1.093 252 T HN 0.670 nan 8.240 nan 0.000 0.545 253 G N 1.006 109.816 108.800 0.017 0.000 5.306 253 G HA2 0.186 4.147 3.960 0.001 0.000 0.318 253 G HA3 0.186 4.147 3.960 0.001 0.000 0.318 253 G C 0.251 175.140 174.900 -0.019 0.000 1.413 253 G CA 0.809 45.904 45.100 -0.007 0.000 0.981 253 G HN 2.193 nan 8.290 nan 0.000 0.788 254 A N -1.833 120.957 122.820 -0.051 0.000 2.490 254 A HA 0.951 5.271 4.320 0.001 0.000 0.292 254 A C 0.026 177.379 177.584 -0.385 0.000 1.047 254 A CA 0.904 52.856 52.037 -0.142 0.000 0.632 254 A CB 0.651 19.575 19.000 -0.127 0.000 1.323 254 A HN 2.571 nan 8.150 nan 0.000 0.448 255 G N -1.036 107.343 108.800 -0.701 0.000 2.576 255 G HA2 0.627 4.587 3.960 0.001 0.000 0.290 255 G HA3 0.627 4.587 3.960 0.001 0.000 0.290 255 G C -1.813 172.713 174.900 -0.624 0.000 1.442 255 G CA -0.292 44.196 45.100 -1.020 0.000 0.792 255 G HN 0.837 nan 8.290 nan 0.000 0.491 256 Q N -0.990 118.593 119.800 -0.362 0.000 2.377 256 Q HA 0.614 4.955 4.340 0.001 0.000 0.279 256 Q C 0.102 176.060 176.000 -0.070 0.000 1.049 256 Q CA 0.143 55.846 55.803 -0.166 0.000 0.825 256 Q CB 2.235 30.898 28.738 -0.123 0.000 1.401 256 Q HN 2.244 nan 8.270 nan 0.000 0.404 257 A N 1.426 124.227 122.820 -0.031 0.000 2.151 257 A HA -0.184 4.137 4.320 0.001 0.000 0.271 257 A C -0.288 177.307 177.584 0.017 0.000 1.348 257 A CA 1.507 53.542 52.037 -0.004 0.000 0.763 257 A CB -1.699 17.294 19.000 -0.012 0.000 1.117 257 A HN 0.439 nan 8.150 nan 0.000 0.342 258 T N 0.832 115.418 114.554 0.053 0.000 2.925 258 T HA 0.705 5.055 4.350 0.001 0.000 0.285 258 T C 0.183 174.908 174.700 0.042 0.000 1.021 258 T CA -0.268 61.874 62.100 0.069 0.000 1.042 258 T CB 1.331 70.292 68.868 0.154 0.000 1.037 258 T HN 0.435 nan 8.240 nan 0.000 0.481 259 I N 2.074 122.663 120.570 0.032 0.000 2.466 259 I HA 0.462 4.632 4.170 0.001 0.000 0.289 259 I C -0.961 175.170 176.117 0.023 0.000 1.026 259 I CA -0.969 60.344 61.300 0.021 0.000 1.078 259 I CB 2.113 40.119 38.000 0.009 0.000 1.249 259 I HN 0.245 nan 8.210 nan 0.000 0.429 260 V N 5.368 125.291 119.914 0.016 0.000 2.340 260 V HA 0.458 4.578 4.120 0.001 0.000 0.277 260 V C -0.216 175.877 176.094 -0.001 0.000 1.017 260 V CA -0.254 62.052 62.300 0.009 0.000 0.820 260 V CB 1.242 33.063 31.823 -0.003 0.000 1.028 260 V HN 0.885 nan 8.190 nan 0.000 0.436 261 S N 2.203 117.902 115.700 -0.001 0.000 2.651 261 S HA 0.799 5.269 4.470 0.001 0.000 0.279 261 S C 0.727 175.309 174.600 -0.030 0.000 1.148 261 S CA -0.015 58.174 58.200 -0.018 0.000 0.837 261 S CB 1.879 65.073 63.200 -0.010 0.000 1.138 261 S HN 2.033 nan 8.310 nan 0.000 0.478 262 G N 1.253 110.019 108.800 -0.057 0.000 2.269 262 G HA2 -0.234 3.726 3.960 0.001 0.000 0.277 262 G HA3 -0.234 3.726 3.960 0.001 0.000 0.277 262 G C -0.184 174.645 174.900 -0.118 0.000 1.008 262 G CA 0.398 45.446 45.100 -0.086 0.000 0.774 262 G HN 0.824 nan 8.290 nan 0.000 0.511 263 N N -0.252 118.380 118.700 -0.114 0.000 2.466 263 N HA 0.482 5.223 4.740 0.001 0.000 0.294 263 N C -0.200 175.217 175.510 -0.154 0.000 1.129 263 N CA -0.481 52.510 53.050 -0.099 0.000 0.931 263 N CB 1.016 39.472 38.487 -0.051 0.000 1.193 263 N HN 0.216 nan 8.380 nan 0.000 0.500 267 A N 1.148 123.886 122.820 -0.136 0.000 3.538 267 A HA 1.047 5.368 4.320 0.001 0.000 0.174 267 A C 0.790 178.168 177.584 -0.345 0.000 1.733 267 A CA -0.110 51.840 52.037 -0.145 0.000 0.888 267 A CB 0.686 19.575 19.000 -0.185 0.000 1.804 267 A HN 1.976 nan 8.150 nan 0.000 0.626 268 G N -2.392 106.071 108.800 -0.562 0.000 2.498 268 G HA2 0.522 4.482 3.960 0.001 0.000 0.312 268 G HA3 0.522 4.482 3.960 0.001 0.000 0.312 268 G C -2.477 172.080 174.900 -0.572 0.000 1.230 268 G CA -1.296 43.114 45.100 -1.151 0.000 0.968 268 G HN 0.224 nan 8.290 nan 0.000 0.481 269 P HA -0.114 nan 4.420 nan 0.000 0.217 269 P C 0.676 177.843 177.300 -0.223 0.000 1.151 269 P CA 1.236 64.193 63.100 -0.238 0.000 0.849 269 P CB 0.334 31.939 31.700 -0.159 0.000 0.787 270 D N -1.453 118.830 120.400 -0.194 0.000 2.388 270 D HA 0.222 4.863 4.640 0.001 0.000 0.221 270 D C 1.059 177.261 176.300 -0.162 0.000 1.133 270 D CA 0.332 54.260 54.000 -0.120 0.000 0.831 270 D CB 0.345 41.163 40.800 0.029 0.000 0.962 270 D HN 0.141 nan 8.370 nan 0.000 0.502 271 G N 0.043 108.713 108.800 -0.215 0.000 2.730 271 G HA2 0.560 4.520 3.960 0.001 0.000 0.289 271 G HA3 0.560 4.520 3.960 0.001 0.000 0.289 271 G C -0.541 174.264 174.900 -0.159 0.000 1.341 271 G CA -0.626 44.351 45.100 -0.205 0.000 0.932 271 G HN 0.004 nan 8.290 nan 0.000 0.481 272 V N -2.306 117.531 119.914 -0.128 0.000 2.850 272 V HA 0.749 4.870 4.120 0.001 0.000 0.315 272 V C 0.723 176.746 176.094 -0.118 0.000 1.064 272 V CA -0.064 62.176 62.300 -0.101 0.000 0.979 272 V CB 1.234 33.021 31.823 -0.060 0.000 1.039 272 V HN 0.707 nan 8.190 nan 0.000 0.452 273 T N 2.506 116.987 114.554 -0.121 0.000 2.967 273 T HA 0.259 4.610 4.350 0.001 0.000 0.238 273 T C 0.199 174.827 174.700 -0.121 0.000 1.024 273 T CA 1.051 63.062 62.100 -0.147 0.000 1.234 273 T CB -0.140 68.619 68.868 -0.181 0.000 0.931 273 T HN 0.577 nan 8.240 nan 0.000 0.417 274 L N 1.880 123.043 121.223 -0.099 0.000 2.325 274 L HA 0.733 5.073 4.340 0.001 0.000 0.281 274 L C -1.515 175.347 176.870 -0.013 0.000 1.004 274 L CA -1.010 53.793 54.840 -0.062 0.000 0.823 274 L CB 1.387 43.414 42.059 -0.054 0.000 1.236 274 L HN 0.154 nan 8.230 nan 0.000 0.415 275 L N 5.329 126.551 121.223 -0.002 0.000 2.365 275 L HA 0.982 5.323 4.340 0.001 0.000 0.273 275 L C -1.057 175.819 176.870 0.009 0.000 1.000 275 L CA -0.239 54.623 54.840 0.036 0.000 0.819 275 L CB 1.832 43.897 42.059 0.011 0.000 1.284 275 L HN 0.761 nan 8.230 nan 0.000 0.418 276 A N 4.107 126.960 122.820 0.056 0.000 2.359 276 A HA 0.740 5.060 4.320 0.001 0.000 0.303 276 A C -1.089 176.467 177.584 -0.047 0.000 1.066 276 A CA -0.537 51.405 52.037 -0.157 0.000 0.730 276 A CB 0.893 19.612 19.000 -0.468 0.000 1.211 276 A HN 0.733 nan 8.150 nan 0.000 0.439 277 E N 2.675 122.898 120.200 0.038 0.000 2.129 277 E HA 0.290 4.640 4.350 0.001 0.000 0.268 277 E C -0.757 175.905 176.600 0.104 0.000 0.900 277 E CA -0.963 55.481 56.400 0.072 0.000 0.755 277 E CB 0.864 30.598 29.700 0.057 0.000 1.117 277 E HN 0.653 nan 8.360 nan 0.000 0.410 278 N N 2.975 121.697 118.700 0.037 0.000 2.705 278 N HA -0.205 4.536 4.740 0.001 0.000 0.255 278 N C -0.852 174.641 175.510 -0.030 0.000 1.008 278 N CA 0.923 53.972 53.050 -0.002 0.000 0.742 278 N CB -1.213 37.265 38.487 -0.016 0.000 0.906 278 N HN 0.596 nan 8.380 nan 0.000 0.541 279 H N 0.247 119.216 119.070 -0.169 0.000 2.483 279 H HA 0.414 4.970 4.556 0.001 0.000 0.338 279 H C 0.136 175.358 175.328 -0.176 0.000 1.152 279 H CA -0.274 55.661 56.048 -0.188 0.000 1.264 279 H CB 1.909 31.506 29.762 -0.275 0.000 1.510 279 H HN 0.277 nan 8.280 nan 0.000 0.530 280 E N 0.115 120.269 120.200 -0.076 0.000 2.275 280 E HA 0.358 4.708 4.350 0.001 0.000 0.270 280 E C 0.175 176.751 176.600 -0.040 0.000 0.882 280 E CA -0.093 56.270 56.400 -0.062 0.000 0.758 280 E CB 1.213 30.870 29.700 -0.071 0.000 1.195 280 E HN 0.825 nan 8.360 nan 0.000 0.419 281 G N 3.226 112.012 108.800 -0.024 0.000 2.143 281 G HA2 -0.272 3.688 3.960 0.001 0.000 0.248 281 G HA3 -0.272 3.688 3.960 0.001 0.000 0.248 281 G C -0.278 174.627 174.900 0.009 0.000 0.991 281 G CA 0.283 45.379 45.100 -0.007 0.000 0.689 281 G HN 0.529 nan 8.290 nan 0.000 0.522 282 L N 0.532 121.755 121.223 0.000 0.000 2.410 282 L HA 0.687 5.027 4.340 0.001 0.000 0.273 282 L C 0.309 177.195 176.870 0.027 0.000 1.152 282 L CA -0.319 54.522 54.840 0.002 0.000 0.855 282 L CB 0.906 42.889 42.059 -0.127 0.000 1.129 282 L HN 0.200 nan 8.230 nan 0.000 0.463 283 L N 6.089 127.333 121.223 0.036 0.000 2.325 283 L HA 0.570 4.910 4.340 0.001 0.000 0.281 283 L C -1.232 175.668 176.870 0.049 0.000 1.004 283 L CA -0.695 54.172 54.840 0.045 0.000 0.823 283 L CB 1.781 43.856 42.059 0.027 0.000 1.236 283 L HN 0.391 nan 8.230 nan 0.000 0.415 284 V N 3.006 122.960 119.914 0.066 0.000 2.409 284 V HA 0.573 4.694 4.120 0.001 0.000 0.290 284 V C -0.106 175.997 176.094 0.015 0.000 1.017 284 V CA -0.387 61.940 62.300 0.046 0.000 0.841 284 V CB 1.787 33.662 31.823 0.086 0.000 1.003 284 V HN 0.860 nan 8.190 nan 0.000 0.426 285 T N 0.364 114.916 114.554 -0.004 0.000 2.894 285 T HA 0.632 4.982 4.350 0.001 0.000 0.309 285 T C 0.629 175.310 174.700 -0.032 0.000 1.208 285 T CA 0.143 62.234 62.100 -0.016 0.000 1.016 285 T CB 1.777 70.641 68.868 -0.006 0.000 1.192 285 T HN 1.882 nan 8.240 nan 0.000 0.491 286 G N 2.194 110.970 108.800 -0.040 0.000 2.283 286 G HA2 -0.230 3.731 3.960 0.001 0.000 0.280 286 G HA3 -0.230 3.731 3.960 0.001 0.000 0.280 286 G C -0.072 174.777 174.900 -0.085 0.000 1.029 286 G CA 0.089 45.156 45.100 -0.055 0.000 0.840 286 G HN 0.993 nan 8.290 nan 0.000 0.505 287 N N 0.201 118.849 118.700 -0.088 0.000 2.487 287 N HA 0.301 5.042 4.740 0.001 0.000 0.292 287 N C -0.750 174.687 175.510 -0.122 0.000 1.108 287 N CA -0.580 52.398 53.050 -0.120 0.000 0.956 287 N CB 1.066 39.489 38.487 -0.107 0.000 1.176 287 N HN 0.159 nan 8.380 nan 0.000 0.484 288 N N 2.550 121.164 118.700 -0.144 0.000 2.706 288 N HA 0.239 4.980 4.740 0.001 0.000 0.240 288 N C -1.275 174.197 175.510 -0.063 0.000 1.039 288 N CA -0.301 52.720 53.050 -0.049 0.000 0.888 288 N CB 0.289 38.787 38.487 0.017 0.000 1.128 288 N HN 0.424 nan 8.380 nan 0.000 0.512 289 L N 4.418 125.549 121.223 -0.154 0.000 2.260 289 L HA 0.475 4.816 4.340 0.001 0.000 0.289 289 L C 0.024 176.738 176.870 -0.260 0.000 1.057 289 L CA -0.864 53.774 54.840 -0.337 0.000 0.811 289 L CB -0.004 41.898 42.059 -0.261 0.000 1.184 289 L HN 0.274 nan 8.230 nan 0.000 0.429 290 F N 1.900 121.772 119.950 -0.130 0.000 2.631 290 F HA 0.810 5.338 4.527 0.001 0.000 0.350 290 F C -2.444 173.191 175.800 -0.275 0.000 1.080 290 F CA -3.787 54.094 58.000 -0.198 0.000 1.026 290 F CB -0.731 38.172 39.000 -0.162 0.000 1.347 290 F HN 0.160 nan 8.300 nan 0.000 0.501 291 P HA -0.046 nan 4.420 nan 0.000 0.264 291 P C -0.764 176.416 177.300 -0.200 0.000 1.156 291 P CA 0.680 63.525 63.100 -0.424 0.000 0.756 291 P CB 0.148 31.373 31.700 -0.791 0.000 0.764 292 R N 1.933 122.344 120.500 -0.149 0.000 2.593 292 R HA 0.438 4.779 4.340 0.001 0.000 0.258 292 R C 0.322 176.585 176.300 -0.062 0.000 1.410 292 R CA -0.737 55.306 56.100 -0.095 0.000 1.537 292 R CB -0.058 30.251 30.300 0.016 0.000 1.362 292 R HN 0.437 nan 8.270 nan 0.000 0.734 293 G N 1.374 110.102 108.800 -0.120 0.000 2.699 293 G HA2 -0.040 3.921 3.960 0.001 0.000 0.246 293 G HA3 -0.040 3.921 3.960 0.001 0.000 0.246 293 G C 0.806 175.725 174.900 0.032 0.000 1.219 293 G CA -0.709 44.328 45.100 -0.105 0.000 0.866 293 G HN 0.616 nan 8.290 nan 0.000 0.572 294 R N -1.084 119.387 120.500 -0.048 0.000 2.148 294 R HA 0.075 4.416 4.340 0.001 0.000 0.223 294 R C 0.766 177.068 176.300 0.004 0.000 1.088 294 R CA 1.189 57.257 56.100 -0.053 0.000 0.985 294 R CB -0.252 29.969 30.300 -0.132 0.000 0.880 294 R HN 0.467 nan 8.270 nan 0.000 0.451 295 S N -1.244 114.442 115.700 -0.023 0.000 2.607 295 S HA 0.411 4.881 4.470 0.001 0.000 0.273 295 S C 0.269 174.828 174.600 -0.068 0.000 1.148 295 S CA -1.107 57.078 58.200 -0.024 0.000 0.833 295 S CB 1.660 64.843 63.200 -0.029 0.000 1.130 295 S HN 0.070 nan 8.310 nan 0.000 0.470 296 L N -0.226 120.946 121.223 -0.085 0.000 2.500 296 L HA 0.547 4.888 4.340 0.001 0.000 0.219 296 L C -0.273 176.515 176.870 -0.137 0.000 1.057 296 L CA 0.459 55.220 54.840 -0.131 0.000 0.854 296 L CB 0.104 42.075 42.059 -0.146 0.000 1.078 296 L HN 0.565 nan 8.230 nan 0.000 0.480 297 I N 0.143 120.630 120.570 -0.140 0.000 2.548 297 I HA 0.233 4.403 4.170 0.001 0.000 0.287 297 I C -0.937 175.059 176.117 -0.201 0.000 1.103 297 I CA -0.220 60.961 61.300 -0.198 0.000 1.049 297 I CB 2.669 40.489 38.000 -0.300 0.000 1.232 297 I HN -0.024 nan 8.210 nan 0.000 0.429 298 E N 6.463 126.596 120.200 -0.112 0.000 2.283 298 E HA 0.445 4.796 4.350 0.001 0.000 0.258 298 E C -1.765 174.966 176.600 0.218 0.000 0.893 298 E CA -0.535 55.859 56.400 -0.009 0.000 0.798 298 E CB 1.316 31.025 29.700 0.014 0.000 1.242 298 E HN 0.236 nan 8.360 nan 0.000 0.414 299 F N 1.853 121.803 119.950 0.001 0.000 2.436 299 F HA 0.366 4.894 4.527 0.001 0.000 0.340 299 F C 0.603 176.416 175.800 0.021 0.000 1.113 299 F CA -0.984 57.016 58.000 0.001 0.000 1.022 299 F CB 2.020 41.025 39.000 0.009 0.000 1.128 299 F HN 0.210 nan 8.300 nan 0.000 0.466 300 T N 1.076 115.743 114.554 0.188 0.000 2.791 300 T HA 0.509 4.860 4.350 0.001 0.000 0.288 300 T C 0.562 175.311 174.700 0.081 0.000 0.999 300 T CA 0.140 62.312 62.100 0.120 0.000 0.952 300 T CB 0.421 69.338 68.868 0.081 0.000 0.938 300 T HN 1.066 nan 8.240 nan 0.000 0.444 301 G N 3.718 112.567 108.800 0.081 0.000 2.249 301 G HA2 -0.221 3.739 3.960 0.001 0.000 0.273 301 G HA3 -0.221 3.739 3.960 0.001 0.000 0.273 301 G C 0.443 175.356 174.900 0.022 0.000 1.036 301 G CA 0.104 45.233 45.100 0.049 0.000 0.824 301 G HN 0.954 nan 8.290 nan 0.000 0.504 302 C N 0.492 119.800 119.300 0.014 0.000 2.398 302 C HA 0.727 5.187 4.460 0.001 0.000 0.364 302 C C 0.419 175.397 174.990 -0.020 0.000 1.219 302 C CA -0.952 58.023 59.018 -0.073 0.000 2.312 302 C CB 1.021 28.561 27.740 -0.334 0.000 2.428 302 C HN 0.597 nan 8.230 nan 0.000 0.564 303 N N 0.452 119.132 118.700 -0.034 0.000 2.240 303 N HA 0.411 5.152 4.740 0.001 0.000 0.302 303 N C -0.503 175.004 175.510 -0.006 0.000 1.106 303 N CA -0.665 52.383 53.050 -0.002 0.000 0.778 303 N CB 1.343 39.828 38.487 -0.003 0.000 1.431 303 N HN 0.550 nan 8.380 nan 0.000 0.479 304 R N -1.025 119.486 120.500 0.018 0.000 3.416 304 R HA -0.159 4.181 4.340 0.001 0.000 0.263 304 R C -0.515 175.798 176.300 0.021 0.000 1.053 304 R CA 0.467 56.579 56.100 0.021 0.000 0.705 304 R CB -2.380 27.925 30.300 0.007 0.000 1.124 304 R HN 0.537 nan 8.270 nan 0.000 0.444 305 C N -1.433 117.892 119.300 0.041 0.000 2.380 305 C HA 0.810 5.270 4.460 0.001 0.000 0.393 305 C C 0.938 176.001 174.990 0.122 0.000 1.284 305 C CA -0.447 58.601 59.018 0.051 0.000 2.033 305 C CB 2.061 29.777 27.740 -0.039 0.000 2.165 305 C HN 0.539 nan 8.230 nan 0.000 0.540 306 S N -0.289 115.496 115.700 0.141 0.000 2.575 306 S HA 0.640 5.110 4.470 0.001 0.000 0.278 306 S C -1.625 173.051 174.600 0.127 0.000 1.139 306 S CA -0.340 57.931 58.200 0.119 0.000 0.954 306 S CB 1.052 64.291 63.200 0.065 0.000 1.054 306 S HN 0.524 nan 8.310 nan 0.000 0.483 307 V N 5.182 125.147 119.914 0.086 0.000 2.305 307 V HA 0.556 4.677 4.120 0.001 0.000 0.275 307 V C -0.380 175.712 176.094 -0.002 0.000 1.020 307 V CA -0.261 62.056 62.300 0.028 0.000 0.811 307 V CB 0.984 32.776 31.823 -0.053 0.000 1.031 307 V HN 0.966 nan 8.190 nan 0.000 0.439 308 T N 1.402 115.955 114.554 -0.001 0.000 2.903 308 T HA 0.466 4.816 4.350 0.001 0.000 0.299 308 T C 0.218 174.909 174.700 -0.016 0.000 1.093 308 T CA -0.619 61.476 62.100 -0.008 0.000 1.002 308 T CB 1.715 70.585 68.868 0.004 0.000 1.127 308 T HN 0.572 nan 8.240 nan 0.000 0.488 309 S N 2.286 117.975 115.700 -0.018 0.000 3.711 309 S HA -0.138 4.333 4.470 0.001 0.000 0.374 309 S C -0.002 174.580 174.600 -0.029 0.000 0.969 309 S CA 0.291 58.480 58.200 -0.018 0.000 1.198 309 S CB -1.385 61.807 63.200 -0.014 0.000 0.903 309 S HN 0.711 nan 8.310 nan 0.000 0.493 310 N N 0.951 119.629 118.700 -0.037 0.000 2.381 310 N HA 0.450 5.190 4.740 0.001 0.000 0.294 310 N C -0.358 175.130 175.510 -0.038 0.000 1.216 310 N CA -0.834 52.186 53.050 -0.050 0.000 0.803 310 N CB 1.065 39.511 38.487 -0.068 0.000 1.372 310 N HN 0.158 nan 8.380 nan 0.000 0.500 311 R N 1.851 122.324 120.500 -0.045 0.000 2.337 311 R HA 0.394 4.734 4.340 0.001 0.000 0.319 311 R C -1.614 174.660 176.300 -0.043 0.000 0.954 311 R CA -0.538 55.546 56.100 -0.027 0.000 0.840 311 R CB -0.124 30.153 30.300 -0.038 0.000 1.164 311 R HN 0.414 nan 8.270 nan 0.000 0.472 312 L N 3.395 124.596 121.223 -0.038 0.000 2.313 312 L HA 0.469 4.810 4.340 0.001 0.000 0.283 312 L C -0.159 176.677 176.870 -0.056 0.000 1.013 312 L CA -0.139 54.656 54.840 -0.075 0.000 0.816 312 L CB 1.826 43.819 42.059 -0.110 0.000 1.236 312 L HN 0.513 nan 8.230 nan 0.000 0.419 313 Q N 1.988 121.731 119.800 -0.094 0.000 2.275 313 Q HA 0.705 5.046 4.340 0.001 0.000 0.266 313 Q C -0.926 174.916 176.000 -0.262 0.000 1.002 313 Q CA -0.453 55.273 55.803 -0.128 0.000 0.761 313 Q CB 2.027 30.704 28.738 -0.102 0.000 1.255 313 Q HN 0.829 nan 8.270 nan 0.000 0.446 314 G N 1.297 109.937 108.800 -0.267 0.000 2.658 314 G HA2 0.567 4.527 3.960 0.001 0.000 0.292 314 G HA3 0.567 4.527 3.960 0.001 0.000 0.292 314 G C -0.873 173.804 174.900 -0.372 0.000 1.320 314 G CA -0.406 44.463 45.100 -0.385 0.000 0.933 314 G HN 0.549 nan 8.290 nan 0.000 0.476 315 F N -0.493 119.155 119.950 -0.504 0.000 2.661 315 F HA 0.433 4.960 4.527 0.001 0.000 0.306 315 F C -0.373 175.094 175.800 -0.555 0.000 1.094 315 F CA -1.040 56.606 58.000 -0.590 0.000 1.254 315 F CB -0.110 38.425 39.000 -0.775 0.000 1.040 315 F HN 0.249 nan 8.300 nan 0.000 0.562 316 Y N -1.640 118.743 120.300 0.139 0.000 2.644 316 Y HA 0.601 5.152 4.550 0.001 0.000 0.338 316 Y C -2.526 173.422 175.900 0.081 0.000 1.119 316 Y CA -4.017 54.136 58.100 0.088 0.000 1.060 316 Y CB -0.265 38.220 38.460 0.041 0.000 1.294 316 Y HN -0.322 nan 8.280 nan 0.000 0.472 317 P HA 0.231 nan 4.420 nan 0.000 0.268 317 P C 0.240 177.661 177.300 0.201 0.000 1.208 317 P CA 1.320 64.559 63.100 0.232 0.000 0.777 317 P CB 0.343 32.143 31.700 0.167 0.000 0.875 321 R N 4.497 124.988 120.500 -0.015 0.000 2.494 321 R HA 0.681 5.022 4.340 0.001 0.000 0.305 321 R C -1.393 174.924 176.300 0.027 0.000 0.959 321 R CA -0.921 55.215 56.100 0.061 0.000 0.864 321 R CB 2.439 32.801 30.300 0.103 0.000 1.159 321 R HN 0.264 nan 8.270 nan 0.000 0.446 322 L N 4.796 126.078 121.223 0.100 0.000 2.366 322 L HA 0.416 4.757 4.340 0.001 0.000 0.266 322 L C -0.976 175.991 176.870 0.161 0.000 1.010 322 L CA 0.008 54.923 54.840 0.125 0.000 0.879 322 L CB 1.118 43.234 42.059 0.095 0.000 1.228 322 L HN 0.459 nan 8.230 nan 0.000 0.439 323 L N 2.386 123.701 121.223 0.155 0.000 2.332 323 L HA 0.537 4.877 4.340 0.001 0.000 0.269 323 L C 0.475 177.410 176.870 0.108 0.000 1.016 323 L CA -1.161 53.759 54.840 0.134 0.000 0.809 323 L CB 0.866 42.989 42.059 0.107 0.000 1.280 323 L HN 0.547 nan 8.230 nan 0.000 0.447 324 N N 0.687 119.440 118.700 0.089 0.000 2.688 324 N HA -0.168 4.573 4.740 0.001 0.000 0.258 324 N C 0.385 175.932 175.510 0.061 0.000 1.016 324 N CA 0.419 53.510 53.050 0.067 0.000 0.747 324 N CB -1.057 37.465 38.487 0.058 0.000 0.895 324 N HN 1.108 nan 8.380 nan 0.000 0.543 325 G N -0.461 108.375 108.800 0.060 0.000 2.392 325 G HA2 -0.302 3.659 3.960 0.001 0.000 0.290 325 G HA3 -0.302 3.659 3.960 0.001 0.000 0.290 325 G C 0.176 175.111 174.900 0.058 0.000 1.032 325 G CA 0.009 45.139 45.100 0.050 0.000 1.269 325 G HN 0.612 nan 8.290 nan 0.000 0.511 326 C N 1.503 120.849 119.300 0.077 0.000 2.369 326 C HA 0.668 5.128 4.460 0.001 0.000 0.358 326 C C 0.821 175.853 174.990 0.071 0.000 1.274 326 C CA -0.418 58.654 59.018 0.091 0.000 1.935 326 C CB 0.793 28.626 27.740 0.154 0.000 2.431 326 C HN 0.658 nan 8.230 nan 0.000 0.545 327 K N 1.572 122.007 120.400 0.057 0.000 2.259 327 K HA 0.372 4.693 4.320 0.001 0.000 0.252 327 K C -0.023 176.605 176.600 0.046 0.000 0.936 327 K CA -0.393 55.921 56.287 0.045 0.000 0.810 327 K CB 1.138 33.657 32.500 0.031 0.000 1.143 327 K HN 0.723 nan 8.250 nan 0.000 0.427 328 E N 0.755 120.981 120.200 0.043 0.000 2.360 328 E HA -0.250 4.101 4.350 0.001 0.000 0.238 328 E C -0.815 175.816 176.600 0.052 0.000 1.186 328 E CA 0.353 56.777 56.400 0.040 0.000 0.719 328 E CB -1.101 28.616 29.700 0.029 0.000 1.236 328 E HN 0.473 nan 8.360 nan 0.000 0.386 329 N N 0.645 119.388 118.700 0.072 0.000 2.456 329 N HA 0.441 5.182 4.740 0.001 0.000 0.296 329 N C -0.653 174.904 175.510 0.079 0.000 1.102 329 N CA -0.701 52.408 53.050 0.098 0.000 0.924 329 N CB 1.564 40.153 38.487 0.169 0.000 1.186 329 N HN 0.009 nan 8.380 nan 0.000 0.492 330 L N 2.723 123.993 121.223 0.078 0.000 2.280 330 L HA 0.466 4.806 4.340 0.001 0.000 0.287 330 L C -1.077 175.823 176.870 0.050 0.000 1.023 330 L CA -0.313 54.560 54.840 0.055 0.000 0.819 330 L CB 0.425 42.511 42.059 0.044 0.000 1.212 330 L HN 0.384 nan 8.230 nan 0.000 0.420 331 I N 5.024 125.614 120.570 0.032 0.000 2.464 331 I HA 0.411 4.582 4.170 0.001 0.000 0.277 331 I C 0.003 176.126 176.117 0.010 0.000 1.040 331 I CA -0.095 61.211 61.300 0.009 0.000 1.153 331 I CB 0.687 38.686 38.000 -0.001 0.000 1.274 331 I HN 0.606 nan 8.210 nan 0.000 0.469 332 T N 3.458 118.013 114.554 0.001 0.000 2.868 332 T HA 0.642 4.993 4.350 0.001 0.000 0.306 332 T C 0.085 174.779 174.700 -0.010 0.000 1.224 332 T CA 0.362 62.464 62.100 0.003 0.000 1.012 332 T CB 1.625 70.501 68.868 0.014 0.000 1.221 332 T HN 0.793 nan 8.240 nan 0.000 0.499 333 A N 2.606 125.421 122.820 -0.008 0.000 2.791 333 A HA -0.128 4.193 4.320 0.001 0.000 0.292 333 A C 0.045 177.613 177.584 -0.026 0.000 1.487 333 A CA 0.813 52.843 52.037 -0.011 0.000 0.760 333 A CB -2.376 16.623 19.000 -0.002 0.000 1.031 333 A HN 0.709 nan 8.150 nan 0.000 0.503 334 N N -0.690 117.972 118.700 -0.062 0.000 2.319 334 N HA 0.468 5.208 4.740 0.001 0.000 0.305 334 N C -0.619 174.815 175.510 -0.127 0.000 1.103 334 N CA -0.434 52.565 53.050 -0.085 0.000 0.815 334 N CB 1.235 39.646 38.487 -0.126 0.000 1.288 334 N HN 0.564 nan 8.380 nan 0.000 0.493 335 H N 1.121 120.101 119.070 -0.150 0.000 2.594 335 H HA 0.454 5.011 4.556 0.001 0.000 0.304 335 H C -0.609 174.588 175.328 -0.219 0.000 1.068 335 H CA -0.369 55.583 56.048 -0.160 0.000 1.308 335 H CB 0.330 30.036 29.762 -0.093 0.000 1.409 335 H HN 0.399 nan 8.280 nan 0.000 0.460 336 I N 6.081 126.379 120.570 -0.453 0.000 2.390 336 I HA 0.297 4.468 4.170 0.001 0.000 0.283 336 I C -0.310 175.679 176.117 -0.213 0.000 1.016 336 I CA -0.525 60.549 61.300 -0.377 0.000 1.151 336 I CB 1.211 38.745 38.000 -0.777 0.000 1.293 336 I HN 0.492 nan 8.210 nan 0.000 0.458 337 R N 5.626 126.121 120.500 -0.007 0.000 2.393 337 R HA 0.607 4.947 4.340 0.001 0.000 0.315 337 R C -0.786 175.524 176.300 0.018 0.000 0.952 337 R CA -0.769 55.363 56.100 0.054 0.000 0.842 337 R CB 1.333 31.715 30.300 0.137 0.000 1.163 337 R HN 0.550 nan 8.270 nan 0.000 0.450 338 R N 2.590 123.110 120.500 0.033 0.000 2.445 338 R HA 0.503 4.844 4.340 0.001 0.000 0.308 338 R C -1.357 174.840 176.300 -0.172 0.000 0.961 338 R CA -0.110 55.971 56.100 -0.032 0.000 0.862 338 R CB 1.935 32.281 30.300 0.076 0.000 1.144 338 R HN 0.700 nan 8.270 nan 0.000 0.447 339 T N 1.908 116.414 114.554 -0.080 0.000 2.671 339 T HA 0.418 4.768 4.350 0.001 0.000 0.300 339 T C -1.484 173.230 174.700 0.022 0.000 1.238 339 T CA -0.902 61.151 62.100 -0.078 0.000 1.020 339 T CB 0.613 69.497 68.868 0.027 0.000 1.503 339 T HN 0.757 nan 8.240 nan 0.000 0.497 340 N N 1.688 120.350 118.700 -0.063 0.000 2.498 340 N HA 0.277 5.017 4.740 0.001 0.000 0.287 340 N C -0.392 174.773 175.510 -0.574 0.000 1.097 340 N CA -0.476 52.467 53.050 -0.178 0.000 0.973 340 N CB 1.103 39.509 38.487 -0.134 0.000 1.153 340 N HN 0.705 nan 8.380 nan 0.000 0.472 341 E N 0.574 120.186 120.200 -0.979 0.000 2.765 341 E HA 0.017 4.367 4.350 0.001 0.000 0.256 341 E C 0.849 176.920 176.600 -0.882 0.000 0.935 341 E CA 0.571 55.916 56.400 -1.759 0.000 0.954 341 E CB -0.097 29.202 29.700 -0.668 0.000 0.908 341 E HN 0.746 nan 8.360 nan 0.000 0.500 342 G N 3.790 112.145 108.800 -0.742 0.000 3.020 342 G HA2 -0.082 3.879 3.960 0.001 0.000 0.217 342 G HA3 -0.082 3.879 3.960 0.001 0.000 0.217 342 G C -0.638 174.324 174.900 0.104 0.000 1.144 342 G CA -0.134 44.883 45.100 -0.138 0.000 0.760 342 G HN 0.542 nan 8.290 nan 0.000 0.548 343 Y N 1.698 122.004 120.300 0.011 0.000 2.417 343 Y HA 0.442 4.993 4.550 0.001 0.000 0.336 343 Y C -1.668 174.310 175.900 0.130 0.000 0.961 343 Y CA -3.322 54.857 58.100 0.132 0.000 1.215 343 Y CB 2.131 40.753 38.460 0.270 0.000 1.120 343 Y HN -0.068 nan 8.280 nan 0.000 0.499 344 P HA -0.258 nan 4.420 nan 0.000 0.222 344 P C -1.348 175.797 177.300 -0.258 0.000 1.159 344 P CA 2.680 65.677 63.100 -0.171 0.000 0.920 344 P CB -0.577 31.016 31.700 -0.178 0.000 0.793 345 P HA -0.166 nan 4.420 nan 0.000 0.217 345 P C 0.877 177.806 177.300 -0.618 0.000 1.151 345 P CA 1.441 64.194 63.100 -0.580 0.000 0.849 345 P CB -0.489 30.739 31.700 -0.785 0.000 0.787 346 F N -2.335 117.606 119.950 -0.016 0.000 2.664 346 F HA 0.220 4.748 4.527 0.001 0.000 0.303 346 F C 1.170 176.997 175.800 0.045 0.000 1.092 346 F CA -0.540 57.512 58.000 0.087 0.000 1.305 346 F CB -0.521 38.612 39.000 0.223 0.000 1.054 346 F HN -0.207 nan 8.300 nan 0.000 0.565 347 I N 0.511 121.122 120.570 0.069 0.000 2.648 347 I HA 0.193 4.363 4.170 0.001 0.000 0.284 347 I C 1.453 177.593 176.117 0.038 0.000 1.153 347 I CA 0.941 62.259 61.300 0.030 0.000 1.426 347 I CB 0.169 38.154 38.000 -0.026 0.000 1.381 347 I HN 0.450 nan 8.210 nan 0.000 0.571 348 G N 4.475 113.307 108.800 0.054 0.000 2.194 348 G HA2 -0.253 3.708 3.960 0.001 0.000 0.236 348 G HA3 -0.253 3.708 3.960 0.001 0.000 0.236 348 G C 0.373 175.317 174.900 0.074 0.000 0.987 348 G CA -0.319 44.809 45.100 0.048 0.000 0.635 348 G HN 0.560 nan 8.290 nan 0.000 0.520 349 R N 0.653 121.236 120.500 0.139 0.000 2.560 349 R HA 0.637 4.977 4.340 0.001 0.000 0.270 349 R C 0.871 177.214 176.300 0.072 0.000 1.074 349 R CA 1.097 57.273 56.100 0.128 0.000 1.140 349 R CB 0.928 31.377 30.300 0.248 0.000 1.073 349 R HN 0.639 nan 8.270 nan 0.000 0.527 350 G N 0.214 108.932 108.800 -0.138 0.000 2.788 350 G HA2 0.162 4.122 3.960 0.001 0.000 0.293 350 G HA3 0.162 4.122 3.960 0.001 0.000 0.293 350 G C -1.051 173.489 174.900 -0.599 0.000 1.392 350 G CA -0.560 44.310 45.100 -0.384 0.000 0.810 350 G HN 0.689 nan 8.290 nan 0.000 0.508 351 N N -1.456 116.888 118.700 -0.593 0.000 2.197 351 N HA 0.267 5.008 4.740 0.001 0.000 0.228 351 N C 1.310 176.657 175.510 -0.273 0.000 1.212 351 N CA 0.765 53.545 53.050 -0.450 0.000 0.883 351 N CB 0.787 38.989 38.487 -0.475 0.000 1.107 351 N HN 1.826 nan 8.380 nan 0.000 0.519 352 G N 0.409 109.083 108.800 -0.209 0.000 2.168 352 G HA2 -0.268 3.693 3.960 0.001 0.000 0.263 352 G HA3 -0.268 3.693 3.960 0.001 0.000 0.263 352 G C -0.397 174.418 174.900 -0.142 0.000 0.977 352 G CA 0.656 45.669 45.100 -0.145 0.000 0.659 352 G HN 0.363 nan 8.290 nan 0.000 0.533 353 L N 0.888 122.010 121.223 -0.168 0.000 2.331 353 L HA 0.614 4.955 4.340 0.001 0.000 0.275 353 L C 0.391 177.244 176.870 -0.029 0.000 1.022 353 L CA -0.882 53.858 54.840 -0.167 0.000 0.812 353 L CB 1.349 43.184 42.059 -0.373 0.000 1.257 353 L HN 0.363 nan 8.230 nan 0.000 0.435 354 D N -1.343 119.081 120.400 0.040 0.000 2.440 354 D HA 0.098 4.738 4.640 0.001 0.000 0.258 354 D C 0.048 176.441 176.300 0.156 0.000 1.092 354 D CA -0.622 53.433 54.000 0.092 0.000 1.016 354 D CB 0.792 41.642 40.800 0.083 0.000 1.141 354 D HN 0.366 nan 8.370 nan 0.000 0.552 355 D N -0.535 119.958 120.400 0.155 0.000 2.378 355 D HA -0.001 4.640 4.640 0.001 0.000 0.227 355 D C 1.195 177.584 176.300 0.149 0.000 1.012 355 D CA 0.415 54.523 54.000 0.179 0.000 0.905 355 D CB 0.263 41.169 40.800 0.177 0.000 0.895 355 D HN 0.344 nan 8.370 nan 0.000 0.532 356 L N -0.521 120.795 121.223 0.155 0.000 2.585 356 L HA 0.005 4.346 4.340 0.001 0.000 0.226 356 L C 1.925 178.902 176.870 0.178 0.000 1.113 356 L CA -0.081 54.836 54.840 0.129 0.000 0.876 356 L CB -0.015 42.108 42.059 0.106 0.000 1.072 356 L HN -0.016 nan 8.230 nan 0.000 0.468 357 Y N 1.575 121.943 120.300 0.114 0.000 2.293 357 Y HA 0.109 4.659 4.550 0.001 0.000 0.291 357 Y C 1.335 177.364 175.900 0.215 0.000 1.137 357 Y CA 0.837 59.044 58.100 0.179 0.000 1.202 357 Y CB 0.060 38.592 38.460 0.120 0.000 0.990 357 Y HN 0.121 nan 8.280 nan 0.000 0.537 358 G N -1.046 107.906 108.800 0.254 0.000 2.719 358 G HA2 -0.186 3.774 3.960 0.001 0.000 0.686 358 G HA3 -0.186 3.774 3.960 0.001 0.000 0.686 358 G C 0.258 175.309 174.900 0.251 0.000 1.201 358 G CA -0.471 44.722 45.100 0.156 0.000 0.768 358 G HN 0.214 nan 8.290 nan 0.000 0.629 359 V N 0.760 120.812 119.914 0.230 0.000 2.427 359 V HA -0.025 4.096 4.120 0.001 0.000 0.248 359 V C 1.647 177.896 176.094 0.258 0.000 1.051 359 V CA 1.998 64.469 62.300 0.284 0.000 1.048 359 V CB -0.275 31.768 31.823 0.367 0.000 0.666 359 V HN 0.849 nan 8.190 nan 0.000 0.456 360 V N 0.662 120.719 119.914 0.238 0.000 2.444 360 V HA 0.406 4.527 4.120 0.001 0.000 0.294 360 V C -0.599 175.554 176.094 0.098 0.000 1.022 360 V CA -0.661 61.749 62.300 0.182 0.000 0.850 360 V CB 1.469 33.436 31.823 0.240 0.000 0.992 360 V HN 0.430 nan 8.190 nan 0.000 0.426 361 H N 6.288 125.335 119.070 -0.039 0.000 2.587 361 H HA 0.539 5.095 4.556 0.001 0.000 0.325 361 H C -1.454 173.811 175.328 -0.104 0.000 1.012 361 H CA -0.644 55.301 56.048 -0.171 0.000 1.213 361 H CB 1.532 31.048 29.762 -0.409 0.000 1.431 361 H HN 0.400 nan 8.280 nan 0.000 0.492 362 I N 3.897 124.323 120.570 -0.240 0.000 2.436 362 I HA 0.373 4.543 4.170 0.001 0.000 0.289 362 I C -0.120 175.916 176.117 -0.135 0.000 1.010 362 I CA -0.735 60.506 61.300 -0.098 0.000 1.098 362 I CB 1.226 39.185 38.000 -0.068 0.000 1.266 362 I HN 0.625 nan 8.210 nan 0.000 0.434 363 A N 4.541 127.360 122.820 -0.002 0.000 2.522 363 A HA 0.893 5.214 4.320 0.001 0.000 0.285 363 A C 0.035 177.641 177.584 0.036 0.000 1.198 363 A CA -0.072 51.972 52.037 0.011 0.000 0.742 363 A CB 1.140 20.191 19.000 0.085 0.000 1.176 363 A HN 1.076 nan 8.150 nan 0.000 0.444 364 G N 1.089 109.899 108.800 0.017 0.000 2.333 364 G HA2 0.469 4.429 3.960 0.001 0.000 0.288 364 G HA3 0.469 4.429 3.960 0.001 0.000 0.288 364 G C -2.215 172.696 174.900 0.019 0.000 1.286 364 G CA -0.669 44.448 45.100 0.029 0.000 0.865 364 G HN 0.485 nan 8.290 nan 0.000 0.506 365 D N 0.108 120.524 120.400 0.026 0.000 2.423 365 D HA 0.435 5.076 4.640 0.001 0.000 0.235 365 D C 0.346 176.664 176.300 0.029 0.000 1.011 365 D CA -0.654 53.360 54.000 0.025 0.000 0.963 365 D CB 1.344 42.161 40.800 0.027 0.000 1.349 365 D HN 0.446 nan 8.370 nan 0.000 0.508 366 N N 0.823 119.540 118.700 0.029 0.000 2.696 366 N HA -0.170 4.571 4.740 0.001 0.000 0.249 366 N C -0.658 174.870 175.510 0.030 0.000 1.090 366 N CA 0.632 53.699 53.050 0.029 0.000 0.716 366 N CB -0.794 37.709 38.487 0.028 0.000 1.020 366 N HN 0.429 nan 8.380 nan 0.000 0.548 367 N N 0.747 119.465 118.700 0.031 0.000 2.524 367 N HA 0.281 5.021 4.740 0.001 0.000 0.283 367 N C 0.044 175.572 175.510 0.030 0.000 1.142 367 N CA -0.296 52.776 53.050 0.037 0.000 0.984 367 N CB 1.510 40.021 38.487 0.040 0.000 1.155 367 N HN 0.150 nan 8.380 nan 0.000 0.467 368 L N 3.023 124.266 121.223 0.034 0.000 2.324 368 L HA 0.463 4.803 4.340 0.001 0.000 0.274 368 L C -1.247 175.644 176.870 0.034 0.000 1.012 368 L CA -0.474 54.384 54.840 0.030 0.000 0.859 368 L CB 0.406 42.482 42.059 0.028 0.000 1.224 368 L HN 0.344 nan 8.230 nan 0.000 0.429 369 I N 4.939 125.531 120.570 0.036 0.000 2.307 369 I HA 0.523 4.694 4.170 0.001 0.000 0.287 369 I C 0.153 176.307 176.117 0.061 0.000 1.054 369 I CA 0.364 61.696 61.300 0.053 0.000 1.218 369 I CB 0.732 38.770 38.000 0.064 0.000 1.398 369 I HN 0.692 nan 8.210 nan 0.000 0.475 370 S N 2.202 117.937 115.700 0.058 0.000 2.685 370 S HA 0.587 5.057 4.470 0.001 0.000 0.282 370 S C -0.200 174.433 174.600 0.055 0.000 1.159 370 S CA -0.900 57.335 58.200 0.058 0.000 0.833 370 S CB 1.478 64.701 63.200 0.039 0.000 1.151 370 S HN 0.556 nan 8.310 nan 0.000 0.485 371 D N 0.480 120.913 120.400 0.055 0.000 2.701 371 D HA -0.159 4.481 4.640 0.001 0.000 0.235 371 D C -0.811 175.511 176.300 0.036 0.000 1.155 371 D CA 0.932 54.958 54.000 0.044 0.000 0.649 371 D CB -1.599 39.217 40.800 0.026 0.000 1.050 371 D HN 0.538 nan 8.370 nan 0.000 0.425 372 N N 0.245 118.984 118.700 0.065 0.000 2.370 372 N HA 0.509 5.249 4.740 0.001 0.000 0.303 372 N C -0.557 174.962 175.510 0.014 0.000 1.103 372 N CA -0.598 52.445 53.050 -0.012 0.000 0.848 372 N CB 1.644 40.112 38.487 -0.032 0.000 1.235 372 N HN 0.208 nan 8.380 nan 0.000 0.496 373 L N 2.220 123.337 121.223 -0.178 0.000 2.298 373 L HA 0.487 4.827 4.340 0.001 0.000 0.284 373 L C -1.287 175.343 176.870 -0.401 0.000 1.013 373 L CA -0.671 54.070 54.840 -0.165 0.000 0.824 373 L CB 0.303 42.246 42.059 -0.194 0.000 1.221 373 L HN 0.355 nan 8.230 nan 0.000 0.418 374 F N 4.141 123.938 119.950 -0.255 0.000 2.391 374 F HA 0.517 5.044 4.527 0.001 0.000 0.359 374 F C 0.630 176.316 175.800 -0.190 0.000 1.122 374 F CA -0.463 57.408 58.000 -0.216 0.000 1.120 374 F CB 1.605 40.501 39.000 -0.173 0.000 1.142 374 F HN 0.465 nan 8.300 nan 0.000 0.483 375 A N 4.675 127.502 122.820 0.011 0.000 2.277 375 A HA 0.502 4.822 4.320 0.001 0.000 0.318 375 A C -1.796 175.880 177.584 0.155 0.000 1.339 375 A CA -0.523 51.558 52.037 0.072 0.000 0.875 375 A CB -0.059 19.012 19.000 0.118 0.000 1.158 375 A HN 0.654 nan 8.150 nan 0.000 0.514 376 Y N 2.654 122.972 120.300 0.030 0.000 2.328 376 Y HA 0.489 5.040 4.550 0.001 0.000 0.333 376 Y C -0.238 175.687 175.900 0.041 0.000 0.958 376 Y CA -0.710 57.418 58.100 0.047 0.000 1.167 376 Y CB 1.299 39.785 38.460 0.043 0.000 1.151 376 Y HN 0.686 nan 8.280 nan 0.000 0.470 377 N N 6.000 124.591 118.700 -0.181 0.000 2.617 377 N HA 0.547 5.287 4.740 0.001 0.000 0.263 377 N C -2.288 173.082 175.510 -0.234 0.000 1.074 377 N CA -0.317 52.678 53.050 -0.092 0.000 0.841 377 N CB 0.934 39.408 38.487 -0.021 0.000 1.221 377 N HN 0.379 nan 8.380 nan 0.000 0.529 378 V N 3.707 123.508 119.914 -0.190 0.000 2.686 378 V HA 0.444 4.564 4.120 0.001 0.000 0.306 378 V C -2.313 173.798 176.094 0.028 0.000 1.065 378 V CA -1.692 60.523 62.300 -0.141 0.000 0.894 378 V CB 2.017 33.676 31.823 -0.273 0.000 1.004 378 V HN 0.569 nan 8.190 nan 0.000 0.424 379 P HA 0.084 nan 4.420 nan 0.000 0.261 379 P C -2.025 175.313 177.300 0.062 0.000 1.183 379 P CA -0.550 62.571 63.100 0.035 0.000 0.761 379 P CB 0.300 32.009 31.700 0.015 0.000 0.785 380 P HA -0.262 nan 4.420 nan 0.000 0.218 380 P C 1.068 178.404 177.300 0.060 0.000 1.152 380 P CA 2.000 65.142 63.100 0.070 0.000 0.857 380 P CB -0.222 31.510 31.700 0.053 0.000 0.787 381 A N -1.425 121.422 122.820 0.046 0.000 2.209 381 A HA -0.083 4.237 4.320 0.001 0.000 0.212 381 A C 1.799 179.408 177.584 0.041 0.000 1.158 381 A CA 1.136 53.196 52.037 0.038 0.000 0.742 381 A CB -0.795 18.220 19.000 0.026 0.000 0.790 381 A HN 0.152 nan 8.150 nan 0.000 0.472 382 N N -0.443 118.287 118.700 0.050 0.000 2.254 382 N HA 0.187 4.927 4.740 0.001 0.000 0.190 382 N C -0.003 175.555 175.510 0.080 0.000 1.107 382 N CA 0.078 53.160 53.050 0.054 0.000 0.869 382 N CB 0.310 38.821 38.487 0.040 0.000 0.983 382 N HN 0.433 nan 8.380 nan 0.000 0.487 383 I N 1.648 122.274 120.570 0.095 0.000 2.517 383 I HA 0.101 4.271 4.170 0.001 0.000 0.285 383 I C 0.363 176.536 176.117 0.093 0.000 1.106 383 I CA -0.327 61.046 61.300 0.122 0.000 1.402 383 I CB 0.643 38.725 38.000 0.138 0.000 1.399 383 I HN -0.064 nan 8.210 nan 0.000 0.535 384 A N 9.081 131.961 122.820 0.100 0.000 2.260 384 A HA 0.690 5.010 4.320 0.001 0.000 0.314 384 A C -2.563 175.069 177.584 0.079 0.000 1.257 384 A CA -1.555 50.529 52.037 0.078 0.000 0.871 384 A CB 0.513 19.557 19.000 0.074 0.000 1.166 384 A HN 0.365 nan 8.150 nan 0.000 0.522 385 P HA 0.376 nan 4.420 nan 0.000 0.279 385 P C -0.161 177.166 177.300 0.045 0.000 1.252 385 P CA -0.179 62.949 63.100 0.048 0.000 0.811 385 P CB 1.119 32.844 31.700 0.041 0.000 1.035 386 A N 1.981 124.823 122.820 0.037 0.000 2.566 386 A HA 0.386 4.707 4.320 0.001 0.000 0.245 386 A C 1.484 179.087 177.584 0.031 0.000 1.056 386 A CA 1.143 53.200 52.037 0.034 0.000 0.757 386 A CB -1.653 17.363 19.000 0.027 0.000 0.979 386 A HN 0.851 nan 8.150 nan 0.000 0.508 387 G N 1.059 109.878 108.800 0.032 0.000 2.241 387 G HA2 0.118 4.079 3.960 0.001 0.000 0.244 387 G HA3 0.118 4.079 3.960 0.001 0.000 0.244 387 G C 0.665 175.581 174.900 0.028 0.000 0.998 387 G CA 0.507 45.623 45.100 0.027 0.000 0.621 387 G HN 2.233 nan 8.290 nan 0.000 0.519 388 A N 0.273 123.114 122.820 0.034 0.000 2.371 388 A HA 0.660 4.980 4.320 0.001 0.000 0.257 388 A C 0.475 178.073 177.584 0.024 0.000 1.089 388 A CA 0.201 52.257 52.037 0.031 0.000 0.794 388 A CB 0.355 19.379 19.000 0.041 0.000 1.029 388 A HN 0.455 nan 8.150 nan 0.000 0.488 389 Q N 1.292 121.095 119.800 0.006 0.000 2.279 389 Q HA 0.265 4.605 4.340 0.001 0.000 0.256 389 Q C -2.312 173.660 176.000 -0.048 0.000 0.937 389 Q CA -1.605 54.184 55.803 -0.024 0.000 0.933 389 Q CB 0.786 29.504 28.738 -0.033 0.000 1.189 389 Q HN 0.438 nan 8.270 nan 0.000 0.417 390 P HA -0.020 nan 4.420 nan 0.000 0.266 390 P C -0.968 176.215 177.300 -0.196 0.000 1.195 390 P CA 0.335 63.320 63.100 -0.192 0.000 0.768 390 P CB 0.642 32.006 31.700 -0.560 0.000 0.838 391 T N 3.962 118.449 114.554 -0.113 0.000 2.758 391 T HA 0.127 4.478 4.350 0.001 0.000 0.285 391 T C 1.057 175.687 174.700 -0.117 0.000 0.981 391 T CA -0.397 61.643 62.100 -0.100 0.000 0.965 391 T CB 0.955 69.800 68.868 -0.038 0.000 0.927 391 T HN 0.291 nan 8.240 nan 0.000 0.448 392 Q N 2.198 121.870 119.800 -0.213 0.000 2.033 392 Q HA 0.209 4.549 4.340 0.001 0.000 0.196 392 Q C 0.506 176.351 176.000 -0.258 0.000 0.970 392 Q CA 1.198 56.819 55.803 -0.304 0.000 0.828 392 Q CB 0.194 28.519 28.738 -0.688 0.000 0.895 392 Q HN 0.654 nan 8.270 nan 0.000 0.440 393 I N 1.349 121.748 120.570 -0.285 0.000 2.418 393 I HA 0.227 4.397 4.170 0.001 0.000 0.287 393 I C -1.082 174.951 176.117 -0.139 0.000 1.008 393 I CA -0.923 60.270 61.300 -0.178 0.000 1.104 393 I CB 1.956 39.831 38.000 -0.210 0.000 1.264 393 I HN -0.028 nan 8.210 nan 0.000 0.438 394 L N 8.317 129.456 121.223 -0.139 0.000 2.305 394 L HA 0.542 4.883 4.340 0.001 0.000 0.284 394 L C -0.792 175.917 176.870 -0.268 0.000 1.013 394 L CA -0.253 54.471 54.840 -0.194 0.000 0.819 394 L CB 1.168 43.092 42.059 -0.225 0.000 1.227 394 L HN 0.352 nan 8.230 nan 0.000 0.417 395 I N 6.307 126.759 120.570 -0.198 0.000 2.316 395 I HA 0.248 4.419 4.170 0.001 0.000 0.286 395 I C 1.425 177.428 176.117 -0.190 0.000 1.107 395 I CA -0.060 61.133 61.300 -0.179 0.000 1.219 395 I CB 0.182 38.119 38.000 -0.106 0.000 1.455 395 I HN 0.848 nan 8.210 nan 0.000 0.498 396 A N 4.819 127.452 122.820 -0.311 0.000 1.940 396 A HA 0.228 4.549 4.320 0.001 0.000 0.219 396 A C 1.188 178.706 177.584 -0.109 0.000 1.176 396 A CA 1.481 53.367 52.037 -0.252 0.000 0.631 396 A CB -0.184 18.592 19.000 -0.373 0.000 0.814 396 A HN 0.735 nan 8.150 nan 0.000 0.446 397 G N -4.534 104.212 108.800 -0.090 0.000 2.523 397 G HA2 0.626 4.586 3.960 0.001 0.000 0.291 397 G HA3 0.626 4.586 3.960 0.001 0.000 0.291 397 G C -0.290 174.585 174.900 -0.041 0.000 1.450 397 G CA 0.089 45.160 45.100 -0.049 0.000 0.790 397 G HN 1.870 nan 8.290 nan 0.000 0.496 398 G N -0.697 108.084 108.800 -0.031 0.000 2.392 398 G HA2 0.466 4.426 3.960 0.001 0.000 0.677 398 G HA3 0.466 4.426 3.960 0.001 0.000 0.677 398 G C -1.583 173.302 174.900 -0.025 0.000 1.334 398 G CA 0.118 45.206 45.100 -0.019 0.000 0.961 398 G HN 1.145 nan 8.290 nan 0.000 0.616 399 D N -0.527 119.872 120.400 -0.003 0.000 2.350 399 D HA 0.763 5.403 4.640 0.001 0.000 0.245 399 D C 0.811 177.137 176.300 0.042 0.000 1.036 399 D CA 1.061 55.071 54.000 0.016 0.000 0.848 399 D CB 1.457 42.285 40.800 0.047 0.000 1.307 399 D HN 2.150 nan 8.370 nan 0.000 0.469 400 A N 2.610 125.473 122.820 0.070 0.000 2.899 400 A HA -0.241 4.080 4.320 0.001 0.000 0.257 400 A C 0.145 177.751 177.584 0.037 0.000 1.335 400 A CA 0.480 52.559 52.037 0.069 0.000 0.924 400 A CB -2.432 16.606 19.000 0.063 0.000 1.105 400 A HN 0.648 nan 8.150 nan 0.000 0.765 401 N N -0.416 118.296 118.700 0.020 0.000 2.492 401 N HA 0.357 5.098 4.740 0.001 0.000 0.260 401 N C -0.241 175.275 175.510 0.009 0.000 1.215 401 N CA 0.731 53.786 53.050 0.010 0.000 0.923 401 N CB 1.101 39.584 38.487 -0.006 0.000 1.092 401 N HN 0.320 nan 8.380 nan 0.000 0.448 402 V N 2.278 122.199 119.914 0.011 0.000 2.487 402 V HA 0.306 4.427 4.120 0.001 0.000 0.298 402 V C -0.062 176.037 176.094 0.009 0.000 1.028 402 V CA -0.758 61.547 62.300 0.010 0.000 0.860 402 V CB 1.948 33.780 31.823 0.015 0.000 0.991 402 V HN 0.288 nan 8.190 nan 0.000 0.427 403 V N 4.345 124.261 119.914 0.003 0.000 2.349 403 V HA 0.849 4.970 4.120 0.001 0.000 0.284 403 V C 0.185 176.284 176.094 0.009 0.000 1.014 403 V CA -0.276 62.027 62.300 0.005 0.000 0.826 403 V CB 1.320 33.134 31.823 -0.016 0.000 1.009 403 V HN 1.000 nan 8.190 nan 0.000 0.431 404 A N 3.909 126.743 122.820 0.023 0.000 2.435 404 A HA 0.851 5.172 4.320 0.001 0.000 0.304 404 A C -0.402 177.206 177.584 0.039 0.000 1.064 404 A CA -1.010 51.042 52.037 0.025 0.000 0.727 404 A CB 1.389 20.401 19.000 0.019 0.000 1.284 404 A HN 1.451 nan 8.150 nan 0.000 0.415 405 L N 1.332 122.579 121.223 0.040 0.000 3.844 405 L HA -0.173 4.167 4.340 0.001 0.000 0.580 405 L C -1.209 175.710 176.870 0.082 0.000 1.156 405 L CA 0.628 55.499 54.840 0.052 0.000 0.848 405 L CB -1.502 40.579 42.059 0.037 0.000 1.283 405 L HN 0.720 nan 8.230 nan 0.000 0.803 406 N N 2.345 121.106 118.700 0.102 0.000 2.448 406 N HA 0.255 4.996 4.740 0.001 0.000 0.279 406 N C -0.884 174.725 175.510 0.165 0.000 1.025 406 N CA -0.543 52.601 53.050 0.155 0.000 0.898 406 N CB 1.253 39.816 38.487 0.128 0.000 1.303 406 N HN 0.532 nan 8.380 nan 0.000 0.495 407 H N 2.348 121.464 119.070 0.076 0.000 2.604 407 H HA 0.323 4.879 4.556 0.001 0.000 0.306 407 H C -0.845 174.485 175.328 0.002 0.000 1.075 407 H CA -0.421 55.645 56.048 0.029 0.000 1.357 407 H CB 1.016 30.794 29.762 0.027 0.000 1.426 407 H HN 0.108 nan 8.280 nan 0.000 0.470 408 V N 6.418 126.057 119.914 -0.457 0.000 2.483 408 V HA 0.228 4.348 4.120 0.001 0.000 0.295 408 V C -0.293 175.455 176.094 -0.577 0.000 1.035 408 V CA -0.686 61.267 62.300 -0.578 0.000 0.896 408 V CB 1.701 32.834 31.823 -1.149 0.000 0.986 408 V HN 0.519 nan 8.190 nan 0.000 0.447 409 V N 3.697 123.407 119.914 -0.340 0.000 2.482 409 V HA 0.720 4.841 4.120 0.001 0.000 0.295 409 V C -0.265 175.808 176.094 -0.036 0.000 1.026 409 V CA -0.195 61.991 62.300 -0.191 0.000 0.856 409 V CB 1.717 33.461 31.823 -0.132 0.000 1.001 409 V HN 0.904 nan 8.190 nan 0.000 0.424 410 S N 2.153 117.856 115.700 0.005 0.000 2.556 410 S HA 0.382 4.853 4.470 0.001 0.000 0.271 410 S C 0.369 175.030 174.600 0.102 0.000 1.135 410 S CA -0.267 57.994 58.200 0.103 0.000 0.858 410 S CB 2.067 65.290 63.200 0.039 0.000 1.114 410 S HN 0.892 nan 8.310 nan 0.000 0.468 411 D N 1.778 122.270 120.400 0.153 0.000 2.347 411 D HA 0.007 4.647 4.640 0.001 0.000 0.215 411 D C 0.956 177.314 176.300 0.097 0.000 0.976 411 D CA 0.850 54.916 54.000 0.111 0.000 0.884 411 D CB -0.329 40.538 40.800 0.110 0.000 0.915 411 D HN 0.490 nan 8.370 nan 0.000 0.526 412 V N -3.673 116.303 119.914 0.103 0.000 3.102 412 V HA 0.799 4.920 4.120 0.001 0.000 0.312 412 V C -0.158 175.950 176.094 0.024 0.000 1.135 412 V CA -1.331 61.008 62.300 0.065 0.000 1.022 412 V CB 1.228 33.101 31.823 0.084 0.000 1.056 412 V HN 0.107 nan 8.190 nan 0.000 0.436 413 A N 1.535 124.363 122.820 0.013 0.000 2.548 413 A HA 0.583 4.904 4.320 0.001 0.000 0.247 413 A C 0.420 177.985 177.584 -0.032 0.000 1.067 413 A CA 0.946 52.981 52.037 -0.004 0.000 0.757 413 A CB -0.344 18.651 19.000 -0.008 0.000 0.996 413 A HN 1.823 nan 8.150 nan 0.000 0.504 414 S N 1.825 117.508 115.700 -0.029 0.000 2.549 414 S HA 0.482 4.953 4.470 0.001 0.000 0.280 414 S C -1.151 173.446 174.600 -0.006 0.000 1.109 414 S CA -0.721 57.438 58.200 -0.068 0.000 0.905 414 S CB 1.322 64.424 63.200 -0.164 0.000 1.081 414 S HN 0.649 nan 8.310 nan 0.000 0.477 415 Q N 2.933 122.700 119.800 -0.055 0.000 2.377 415 Q HA 0.281 4.621 4.340 0.001 0.000 0.249 415 Q C 0.931 176.918 176.000 -0.022 0.000 1.005 415 Q CA 0.021 55.785 55.803 -0.064 0.000 0.912 415 Q CB 0.395 29.078 28.738 -0.092 0.000 1.223 415 Q HN 0.870 nan 8.270 nan 0.000 0.459 416 H N 0.192 119.137 119.070 -0.208 0.000 2.352 416 H HA -0.014 4.542 4.556 0.001 0.000 0.299 416 H C 0.201 175.358 175.328 -0.285 0.000 1.097 416 H CA 0.675 56.561 56.048 -0.271 0.000 1.311 416 H CB 0.750 30.378 29.762 -0.223 0.000 1.377 416 H HN 0.176 nan 8.280 nan 0.000 0.504 417 V N 1.207 121.073 119.914 -0.080 0.000 2.733 417 V HA 0.269 4.389 4.120 0.001 0.000 0.306 417 V C -0.697 175.317 176.094 -0.132 0.000 1.084 417 V CA -0.781 61.445 62.300 -0.124 0.000 0.905 417 V CB 2.751 34.510 31.823 -0.107 0.000 1.010 417 V HN -0.109 nan 8.190 nan 0.000 0.424 418 V N 5.315 125.152 119.914 -0.129 0.000 2.577 418 V HA 0.515 4.635 4.120 0.001 0.000 0.303 418 V C -0.880 175.149 176.094 -0.108 0.000 1.042 418 V CA -0.560 61.660 62.300 -0.134 0.000 0.872 418 V CB 2.002 33.773 31.823 -0.086 0.000 0.998 418 V HN 0.576 nan 8.190 nan 0.000 0.423 419 L N 3.575 124.729 121.223 -0.115 0.000 2.280 419 L HA 0.498 4.838 4.340 0.001 0.000 0.287 419 L C -0.035 176.858 176.870 0.037 0.000 1.023 419 L CA -0.100 54.702 54.840 -0.063 0.000 0.819 419 L CB 1.215 43.229 42.059 -0.074 0.000 1.212 419 L HN 0.752 nan 8.230 nan 0.000 0.420 420 D N 2.224 122.662 120.400 0.062 0.000 2.357 420 D HA 0.287 4.928 4.640 0.001 0.000 0.242 420 D C 1.242 177.610 176.300 0.113 0.000 1.153 420 D CA 0.103 54.195 54.000 0.153 0.000 0.918 420 D CB 1.544 42.367 40.800 0.038 0.000 1.181 420 D HN 0.647 nan 8.370 nan 0.000 0.435 421 A N 1.800 124.683 122.820 0.104 0.000 2.139 421 A HA -0.164 4.157 4.320 0.001 0.000 0.221 421 A C 2.050 179.633 177.584 -0.002 0.000 1.159 421 A CA 1.692 53.758 52.037 0.048 0.000 0.662 421 A CB -0.506 18.474 19.000 -0.033 0.000 0.796 421 A HN 0.495 nan 8.150 nan 0.000 0.463 422 S N -0.445 115.246 115.700 -0.015 0.000 2.425 422 S HA -0.015 4.455 4.470 0.001 0.000 0.225 422 S C 1.298 175.869 174.600 -0.047 0.000 1.024 422 S CA 0.722 58.903 58.200 -0.031 0.000 0.951 422 S CB -0.532 62.651 63.200 -0.028 0.000 0.796 422 S HN 0.855 nan 8.310 nan 0.000 0.498 423 T N 2.620 117.147 114.554 -0.044 0.000 2.937 423 T HA 0.299 4.649 4.350 0.001 0.000 0.316 423 T C 0.021 174.651 174.700 -0.116 0.000 1.079 423 T CA -0.177 61.883 62.100 -0.067 0.000 1.131 423 T CB 0.505 69.341 68.868 -0.053 0.000 1.000 423 T HN 0.301 nan 8.240 nan 0.000 0.549 424 T N -0.699 113.751 114.554 -0.173 0.000 2.909 424 T HA 0.425 4.775 4.350 0.001 0.000 0.299 424 T C -0.266 174.244 174.700 -0.317 0.000 1.073 424 T CA -0.981 60.884 62.100 -0.391 0.000 0.999 424 T CB 0.980 69.482 68.868 -0.609 0.000 1.098 424 T HN 0.874 nan 8.240 nan 0.000 0.477 425 H N -0.847 118.219 119.070 -0.006 0.000 2.731 425 H HA -0.137 4.419 4.556 0.001 0.000 0.305 425 H C 0.331 175.653 175.328 -0.011 0.000 1.132 425 H CA 0.701 56.744 56.048 -0.008 0.000 1.148 425 H CB -2.440 27.319 29.762 -0.005 0.000 1.379 425 H HN 0.710 nan 8.280 nan 0.000 0.398 426 S N 0.569 116.294 115.700 0.041 0.000 2.600 426 S HA 0.455 4.926 4.470 0.001 0.000 0.265 426 S C 0.914 175.524 174.600 0.017 0.000 1.325 426 S CA -0.514 57.696 58.200 0.016 0.000 1.002 426 S CB 1.737 64.925 63.200 -0.019 0.000 0.921 426 S HN 0.260 nan 8.310 nan 0.000 0.554 427 K N 1.197 121.600 120.400 0.006 0.000 2.507 427 K HA 0.497 4.817 4.320 0.001 0.000 0.251 427 K C -1.803 174.792 176.600 -0.009 0.000 0.943 427 K CA -0.554 55.733 56.287 0.002 0.000 0.794 427 K CB 2.064 34.569 32.500 0.009 0.000 1.188 427 K HN 0.303 nan 8.250 nan 0.000 0.428 428 V N 4.868 124.772 119.914 -0.017 0.000 2.407 428 V HA 0.456 4.576 4.120 0.001 0.000 0.291 428 V C -0.594 175.491 176.094 -0.016 0.000 1.018 428 V CA -0.822 61.465 62.300 -0.022 0.000 0.842 428 V CB 1.207 33.006 31.823 -0.041 0.000 0.996 428 V HN 0.576 nan 8.190 nan 0.000 0.426 429 L N 3.571 124.790 121.223 -0.006 0.000 2.362 429 L HA 0.638 4.978 4.340 0.001 0.000 0.275 429 L C -0.143 176.732 176.870 0.008 0.000 0.998 429 L CA -0.914 53.926 54.840 -0.001 0.000 0.820 429 L CB 1.807 43.868 42.059 0.003 0.000 1.270 429 L HN 0.552 nan 8.230 nan 0.000 0.415 430 D N 1.599 122.004 120.400 0.009 0.000 2.704 430 D HA -0.171 4.469 4.640 0.001 0.000 0.232 430 D C 0.311 176.638 176.300 0.045 0.000 1.183 430 D CA 1.031 55.045 54.000 0.023 0.000 0.647 430 D CB -0.769 40.043 40.800 0.021 0.000 1.013 430 D HN 0.620 nan 8.370 nan 0.000 0.415 431 S N -0.669 115.057 115.700 0.043 0.000 2.952 431 S HA 0.536 5.006 4.470 0.001 0.000 0.251 431 S C 0.645 175.328 174.600 0.138 0.000 1.021 431 S CA -0.006 58.237 58.200 0.072 0.000 1.067 431 S CB 1.776 64.988 63.200 0.021 0.000 1.002 431 S HN 0.843 nan 8.310 nan 0.000 0.574 432 G N 1.409 110.259 108.800 0.083 0.000 2.333 432 G HA2 0.220 4.181 3.960 0.001 0.000 0.330 432 G HA3 0.220 4.181 3.960 0.001 0.000 0.330 432 G C -0.452 174.384 174.900 -0.106 0.000 1.465 432 G CA -0.448 44.633 45.100 -0.031 0.000 0.996 432 G HN 0.271 nan 8.290 nan 0.000 0.655 433 T N -0.883 113.574 114.554 -0.162 0.000 2.766 433 T HA 0.587 4.937 4.350 0.001 0.000 0.295 433 T C 1.978 176.595 174.700 -0.138 0.000 1.024 433 T CA 0.851 62.881 62.100 -0.116 0.000 1.018 433 T CB 1.387 70.194 68.868 -0.102 0.000 1.002 433 T HN 2.092 nan 8.240 nan 0.000 0.532 434 A N 1.000 123.760 122.820 -0.101 0.000 2.024 434 A HA -0.056 4.265 4.320 0.001 0.000 0.220 434 A C 2.423 179.934 177.584 -0.121 0.000 1.164 434 A CA 1.825 53.802 52.037 -0.100 0.000 0.643 434 A CB -1.273 17.683 19.000 -0.073 0.000 0.806 434 A HN 1.139 nan 8.150 nan 0.000 0.451 435 S N -1.503 114.122 115.700 -0.126 0.000 2.593 435 S HA 0.099 4.570 4.470 0.001 0.000 0.217 435 S C 1.120 175.615 174.600 -0.176 0.000 0.966 435 S CA 0.423 58.547 58.200 -0.128 0.000 0.914 435 S CB -0.017 63.126 63.200 -0.095 0.000 0.776 435 S HN 0.671 nan 8.310 nan 0.000 0.523 436 Q N 0.439 120.084 119.800 -0.257 0.000 2.219 436 Q HA 0.468 4.808 4.340 0.001 0.000 0.209 436 Q C -0.571 175.240 176.000 -0.315 0.000 0.854 436 Q CA 0.084 55.646 55.803 -0.402 0.000 0.960 436 Q CB 0.631 28.848 28.738 -0.868 0.000 1.116 436 Q HN 0.584 nan 8.270 nan 0.000 0.500 437 I N 0.557 120.994 120.570 -0.221 0.000 2.466 437 I HA 0.303 4.473 4.170 0.001 0.000 0.289 437 I C -0.619 175.382 176.117 -0.193 0.000 1.026 437 I CA -0.557 60.634 61.300 -0.181 0.000 1.078 437 I CB 2.399 40.309 38.000 -0.150 0.000 1.249 437 I HN -0.203 nan 8.210 nan 0.000 0.429 438 T N 3.695 118.111 114.554 -0.230 0.000 2.809 438 T HA 0.255 4.605 4.350 0.001 0.000 0.296 438 T C -0.299 174.148 174.700 -0.421 0.000 1.015 438 T CA -0.431 61.458 62.100 -0.352 0.000 0.954 438 T CB 1.198 69.810 68.868 -0.427 0.000 0.950 438 T HN 0.525 nan 8.240 nan 0.000 0.450 439 S N 2.727 118.199 115.700 -0.380 0.000 2.474 439 S HA 0.403 4.874 4.470 0.001 0.000 0.321 439 S C -0.267 174.160 174.600 -0.288 0.000 1.080 439 S CA -0.628 57.405 58.200 -0.279 0.000 1.106 439 S CB 0.265 63.377 63.200 -0.146 0.000 0.984 439 S HN 0.631 nan 8.310 nan 0.000 0.464 440 Y N 2.746 123.018 120.300 -0.047 0.000 2.468 440 Y HA 0.355 4.906 4.550 0.001 0.000 0.268 440 Y C 1.440 177.314 175.900 -0.043 0.000 1.177 440 Y CA -0.182 57.893 58.100 -0.041 0.000 1.265 440 Y CB 0.116 38.551 38.460 -0.042 0.000 1.103 440 Y HN 0.559 nan 8.280 nan 0.000 0.522 441 S N -0.687 115.050 115.700 0.062 0.000 2.747 441 S HA 0.439 4.909 4.470 0.001 0.000 0.300 441 S C 1.032 175.634 174.600 0.004 0.000 1.121 441 S CA -0.009 58.203 58.200 0.020 0.000 0.995 441 S CB 1.014 64.203 63.200 -0.019 0.000 1.113 441 S HN 0.176 nan 8.310 nan 0.000 0.547 442 S N -0.143 115.556 115.700 -0.002 0.000 2.603 442 S HA 0.192 4.662 4.470 0.001 0.000 0.232 442 S C -0.052 174.555 174.600 0.011 0.000 1.016 442 S CA 0.094 58.296 58.200 0.004 0.000 0.976 442 S CB -0.270 62.936 63.200 0.009 0.000 0.921 442 S HN 0.747 nan 8.310 nan 0.000 0.516 443 D N 1.054 121.461 120.400 0.013 0.000 2.368 443 D HA 0.169 4.809 4.640 0.001 0.000 0.218 443 D C -0.048 176.283 176.300 0.053 0.000 1.112 443 D CA -0.113 53.923 54.000 0.060 0.000 0.834 443 D CB -0.186 40.697 40.800 0.139 0.000 0.953 443 D HN 0.108 nan 8.370 nan 0.000 0.505 444 T N 1.012 115.573 114.554 0.010 0.000 2.901 444 T HA 0.493 4.843 4.350 0.001 0.000 0.301 444 T C 0.162 174.862 174.700 0.000 0.000 1.012 444 T CA -0.392 61.708 62.100 -0.001 0.000 1.135 444 T CB 1.074 69.924 68.868 -0.030 0.000 0.936 444 T HN 0.281 nan 8.240 nan 0.000 0.539 445 A N 4.443 127.265 122.820 0.004 0.000 2.260 445 A HA 0.723 5.044 4.320 0.001 0.000 0.314 445 A C -0.283 177.293 177.584 -0.014 0.000 1.257 445 A CA -0.683 51.353 52.037 -0.002 0.000 0.871 445 A CB 0.155 19.158 19.000 0.006 0.000 1.166 445 A HN 0.848 nan 8.150 nan 0.000 0.522 446 I N 1.762 122.319 120.570 -0.021 0.000 2.545 446 I HA 0.545 4.715 4.170 0.001 0.000 0.292 446 I C 0.106 176.208 176.117 -0.025 0.000 1.040 446 I CA -0.599 60.683 61.300 -0.029 0.000 1.068 446 I CB 2.235 40.208 38.000 -0.045 0.000 1.251 446 I HN 0.757 nan 8.210 nan 0.000 0.424 447 R N 6.739 127.225 120.500 -0.023 0.000 2.473 447 R HA 0.498 4.838 4.340 0.001 0.000 0.303 447 R C -2.793 173.495 176.300 -0.020 0.000 1.002 447 R CA -1.537 54.552 56.100 -0.019 0.000 0.884 447 R CB 1.822 32.115 30.300 -0.011 0.000 1.173 447 R HN 0.220 nan 8.270 nan 0.000 0.464 448 P HA -0.021 nan 4.420 nan 0.000 0.266 448 P C -0.766 176.526 177.300 -0.013 0.000 1.193 448 P CA 0.263 63.347 63.100 -0.027 0.000 0.770 448 P CB 0.682 32.364 31.700 -0.029 0.000 0.836 449 T N 5.191 119.740 114.554 -0.008 0.000 2.752 449 T HA 0.203 4.553 4.350 0.001 0.000 0.295 449 T C -1.770 172.931 174.700 0.002 0.000 0.923 449 T CA -0.758 61.349 62.100 0.010 0.000 1.112 449 T CB -0.315 68.576 68.868 0.037 0.000 0.884 449 T HN 0.332 nan 8.240 nan 0.000 0.525 450 P HA 0.000 nan 4.420 nan 0.000 0.216 450 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 450 P CB 0.000 31.698 31.700 -0.003 0.000 0.726