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 3pbo_1_A DATA FIRST_RESID 58 DATA SEQUENCE IPAHRGLITD RNGEPLAVST PVTTLWANPK ELMTAKERWP QLAAALGQDT DATA SEQUENCE KLFADRIEQN AEREFIYLVR GLTPEQGEGV IALKVPGVYS IEEFRRFYPA DATA SEQUENCE GEVVAHAVGF TDVDDRGREG IELAFDEWLA GVPGXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXAKPGK TLALSIDLRL QYLAHRELRN ALLENGAKAG SLVIMDVKTG DATA SEQUENCE EILAMTNQPT YNPNNRRNLQ PAAMRNRAMI DVFEPGSTVK PFSMSAALAS DATA SEQUENCE GRWKPSDIVD VYPGTLQIGR YTIRDVSRNS RQLDLTGILI KSSNVGISKI DATA SEQUENCE AFDIGAESIY SVMQQVGLGQ DTGLGFPGER VGNLPNHRKW PKAETATLAY DATA SEQUENCE GYGLSVTAIQ LAHAYAALAN DGKSVPLSMT RVDRVPDGVQ VISPEVASTV DATA SEQUENCE QGMLQQVVEA QGGVFRAQVP GYHAAGKSGT ARKXXXXXXX XXXNAYRSLF DATA SEQUENCE AGFAPATDPR IAMVVVIDEP SKAGYFGGLV SAPVFSKVMA GALRLMNVPP DATA SEQUENCE DNLP 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 58 I HA 0.000 nan 4.170 nan 0.000 0.288 58 I C 0.000 176.179 176.117 0.104 0.000 1.063 58 I CA 0.000 61.342 61.300 0.070 0.000 1.566 58 I CB 0.000 38.038 38.000 0.063 0.000 1.214 59 P HA 0.224 nan 4.420 nan 0.000 0.266 59 P C -0.224 177.251 177.300 0.291 0.000 1.195 59 P CA 0.007 63.223 63.100 0.194 0.000 0.768 59 P CB 0.766 32.598 31.700 0.220 0.000 0.838 60 A N 2.541 125.470 122.820 0.182 0.000 2.302 60 A HA 0.264 4.601 4.320 0.029 0.000 0.285 60 A C -0.007 177.526 177.584 -0.086 0.000 1.105 60 A CA -0.428 51.672 52.037 0.105 0.000 0.816 60 A CB 0.007 19.021 19.000 0.024 0.000 1.067 60 A HN 0.680 nan 8.150 nan 0.000 0.489 61 H N 1.871 120.685 119.070 -0.427 0.000 2.975 61 H HA 0.099 4.673 4.556 0.029 0.000 0.303 61 H C 0.332 175.375 175.328 -0.475 0.000 1.023 61 H CA 0.348 55.834 56.048 -0.937 0.000 1.473 61 H CB 0.229 29.585 29.762 -0.677 0.000 1.498 61 H HN 0.675 nan 8.280 nan 0.000 0.549 62 R N 3.370 123.400 120.500 -0.783 0.000 2.438 62 R HA 0.183 4.540 4.340 0.029 0.000 0.287 62 R C 0.172 176.233 176.300 -0.399 0.000 1.077 62 R CA -0.130 55.719 56.100 -0.419 0.000 1.034 62 R CB 0.407 30.541 30.300 -0.276 0.000 0.993 62 R HN 0.817 nan 8.270 nan 0.000 0.459 63 G N 3.878 112.585 108.800 -0.156 0.000 2.321 63 G HA2 0.028 4.005 3.960 0.029 0.000 0.237 63 G HA3 0.028 4.005 3.960 0.029 0.000 0.237 63 G C -0.378 174.506 174.900 -0.027 0.000 1.282 63 G CA -0.490 44.578 45.100 -0.052 0.000 0.886 63 G HN 0.564 nan 8.290 nan 0.000 0.528 64 L N 2.822 124.061 121.223 0.027 0.000 2.453 64 L HA 0.408 4.765 4.340 0.029 0.000 0.272 64 L C 0.189 177.085 176.870 0.044 0.000 1.182 64 L CA -0.022 54.837 54.840 0.031 0.000 0.858 64 L CB 0.449 42.544 42.059 0.060 0.000 1.120 64 L HN 0.404 nan 8.230 nan 0.000 0.474 65 I N 4.642 125.232 120.570 0.033 0.000 2.359 65 I HA 0.405 4.592 4.170 0.029 0.000 0.294 65 I C 0.299 176.426 176.117 0.016 0.000 0.987 65 I CA -0.358 60.959 61.300 0.029 0.000 1.225 65 I CB 1.536 39.560 38.000 0.040 0.000 1.366 65 I HN 0.796 nan 8.210 nan 0.000 0.466 66 T N 0.701 115.256 114.554 0.001 0.000 2.926 66 T HA 0.438 4.805 4.350 0.029 0.000 0.289 66 T C -0.447 174.237 174.700 -0.026 0.000 1.054 66 T CA -0.937 61.160 62.100 -0.005 0.000 1.015 66 T CB 2.038 70.908 68.868 0.004 0.000 1.167 66 T HN 0.570 nan 8.240 nan 0.000 0.526 67 D N -0.177 120.204 120.400 -0.032 0.000 2.440 67 D HA 0.124 4.781 4.640 0.029 0.000 0.269 67 D C 1.482 177.761 176.300 -0.035 0.000 1.249 67 D CA -0.799 53.174 54.000 -0.045 0.000 1.055 67 D CB 0.556 41.318 40.800 -0.063 0.000 1.104 67 D HN 0.825 nan 8.370 nan 0.000 0.561 68 R N -0.381 120.098 120.500 -0.035 0.000 2.189 68 R HA -0.031 4.326 4.340 0.029 0.000 0.223 68 R C 0.494 176.785 176.300 -0.015 0.000 1.092 68 R CA 1.173 57.257 56.100 -0.027 0.000 0.989 68 R CB -0.728 29.557 30.300 -0.025 0.000 0.876 68 R HN 0.370 nan 8.270 nan 0.000 0.457 69 N N -0.224 118.469 118.700 -0.011 0.000 2.235 69 N HA 0.167 4.924 4.740 0.029 0.000 0.209 69 N C 0.120 175.633 175.510 0.004 0.000 1.122 69 N CA 0.332 53.382 53.050 -0.001 0.000 0.845 69 N CB 1.475 39.964 38.487 0.003 0.000 1.004 69 N HN 0.463 nan 8.380 nan 0.000 0.499 70 G N 0.555 109.355 108.800 0.000 0.000 2.157 70 G HA2 -0.241 3.736 3.960 0.029 0.000 0.248 70 G HA3 -0.241 3.736 3.960 0.029 0.000 0.248 70 G C -0.363 174.543 174.900 0.011 0.000 0.979 70 G CA -0.373 44.732 45.100 0.008 0.000 0.650 70 G HN 0.215 nan 8.290 nan 0.000 0.529 71 E N 1.821 122.023 120.200 0.003 0.000 2.324 71 E HA 0.269 4.636 4.350 0.029 0.000 0.271 71 E C -2.122 174.480 176.600 0.004 0.000 1.028 71 E CA -1.603 54.801 56.400 0.007 0.000 0.890 71 E CB 0.941 30.640 29.700 -0.003 0.000 1.004 71 E HN 0.318 nan 8.360 nan 0.000 0.431 72 P HA 0.053 nan 4.420 nan 0.000 0.271 72 P C 0.234 177.538 177.300 0.005 0.000 1.220 72 P CA 0.201 63.315 63.100 0.024 0.000 0.768 72 P CB 0.821 32.550 31.700 0.050 0.000 0.848 73 L N 1.724 122.950 121.223 0.004 0.000 2.685 73 L HA 0.389 4.746 4.340 0.029 0.000 0.235 73 L C 0.936 177.845 176.870 0.065 0.000 1.070 73 L CA 0.293 55.137 54.840 0.007 0.000 0.888 73 L CB 0.282 42.339 42.059 -0.003 0.000 1.203 73 L HN 0.351 nan 8.230 nan 0.000 0.499 74 A N 0.564 123.407 122.820 0.037 0.000 2.442 74 A HA 0.673 5.010 4.320 0.029 0.000 0.284 74 A C -1.194 176.341 177.584 -0.082 0.000 1.058 74 A CA -0.301 51.714 52.037 -0.037 0.000 0.738 74 A CB 1.438 20.509 19.000 0.118 0.000 1.242 74 A HN -0.144 nan 8.150 nan 0.000 0.421 75 V N 1.699 121.536 119.914 -0.127 0.000 2.531 75 V HA 0.435 4.572 4.120 0.029 0.000 0.301 75 V C 0.501 176.562 176.094 -0.055 0.000 1.034 75 V CA -0.658 61.625 62.300 -0.028 0.000 0.865 75 V CB 1.948 33.825 31.823 0.091 0.000 0.995 75 V HN 0.863 nan 8.190 nan 0.000 0.424 76 S N 3.100 118.726 115.700 -0.123 0.000 2.516 76 S HA 0.313 4.800 4.470 0.029 0.000 0.282 76 S C 0.303 174.974 174.600 0.118 0.000 1.286 76 S CA -0.030 58.087 58.200 -0.138 0.000 1.066 76 S CB 0.303 63.090 63.200 -0.689 0.000 0.884 76 S HN 0.832 nan 8.310 nan 0.000 0.491 77 T N 6.309 120.979 114.554 0.194 0.000 2.792 77 T HA 0.412 4.779 4.350 0.029 0.000 0.280 77 T C -2.678 172.152 174.700 0.216 0.000 0.990 77 T CA -1.529 60.681 62.100 0.184 0.000 0.960 77 T CB 1.499 70.417 68.868 0.083 0.000 0.939 77 T HN 0.216 nan 8.240 nan 0.000 0.439 78 P HA 0.240 nan 4.420 nan 0.000 0.267 78 P C -0.649 176.606 177.300 -0.075 0.000 1.205 78 P CA -0.327 62.735 63.100 -0.063 0.000 0.765 78 P CB 0.411 32.092 31.700 -0.030 0.000 0.828 79 V N 0.327 120.158 119.914 -0.138 0.000 3.040 79 V HA 0.731 4.868 4.120 0.029 0.000 0.312 79 V C -0.469 175.575 176.094 -0.083 0.000 1.115 79 V CA -0.669 61.586 62.300 -0.075 0.000 0.998 79 V CB 2.127 33.930 31.823 -0.033 0.000 1.042 79 V HN 0.321 nan 8.190 nan 0.000 0.433 80 T N 1.733 116.266 114.554 -0.035 0.000 2.779 80 T HA 0.572 4.939 4.350 0.029 0.000 0.280 80 T C -0.148 174.569 174.700 0.029 0.000 0.987 80 T CA -0.122 61.973 62.100 -0.008 0.000 0.966 80 T CB 1.271 70.135 68.868 -0.007 0.000 0.933 80 T HN 0.934 nan 8.240 nan 0.000 0.442 81 T N 4.242 118.840 114.554 0.075 0.000 2.824 81 T HA 0.598 4.965 4.350 0.029 0.000 0.280 81 T C -0.347 174.477 174.700 0.206 0.000 0.995 81 T CA -0.534 61.652 62.100 0.143 0.000 1.009 81 T CB 0.438 69.412 68.868 0.176 0.000 0.955 81 T HN 0.317 nan 8.240 nan 0.000 0.452 82 L N 4.499 125.842 121.223 0.199 0.000 2.341 82 L HA 0.685 5.043 4.340 0.029 0.000 0.278 82 L C -0.223 176.796 176.870 0.249 0.000 1.005 82 L CA -0.967 53.969 54.840 0.160 0.000 0.818 82 L CB 1.173 43.257 42.059 0.041 0.000 1.259 82 L HN 0.659 nan 8.230 nan 0.000 0.418 83 W N 2.525 123.844 121.300 0.031 0.000 2.850 83 W HA 0.943 5.620 4.660 0.029 0.000 0.349 83 W C -1.361 175.085 176.519 -0.121 0.000 1.133 83 W CA -1.261 55.980 57.345 -0.174 0.000 1.117 83 W CB 1.664 30.857 29.460 -0.446 0.000 1.442 83 W HN 0.584 nan 8.180 nan 0.000 0.575 84 A N 1.848 124.655 122.820 -0.022 0.000 2.556 84 A HA 0.420 4.757 4.320 0.029 0.000 0.294 84 A C -1.459 176.191 177.584 0.111 0.000 1.091 84 A CA -0.852 51.122 52.037 -0.105 0.000 0.704 84 A CB 1.857 20.787 19.000 -0.118 0.000 1.300 84 A HN 0.580 nan 8.150 nan 0.000 0.406 85 N N 1.406 120.185 118.700 0.132 0.000 2.527 85 N HA 0.381 5.138 4.740 0.029 0.000 0.236 85 N C -2.217 173.353 175.510 0.100 0.000 0.999 85 N CA -2.279 50.907 53.050 0.226 0.000 0.935 85 N CB 1.331 40.004 38.487 0.309 0.000 1.132 85 N HN 0.127 nan 8.380 nan 0.000 0.511 86 P HA -0.149 nan 4.420 nan 0.000 0.218 86 P C 0.964 178.308 177.300 0.074 0.000 1.146 86 P CA 1.171 64.283 63.100 0.020 0.000 0.813 86 P CB 0.392 32.082 31.700 -0.016 0.000 0.778 87 K N -0.090 120.362 120.400 0.086 0.000 2.147 87 K HA -0.149 4.189 4.320 0.029 0.000 0.205 87 K C 1.816 178.471 176.600 0.092 0.000 1.049 87 K CA 1.351 57.691 56.287 0.087 0.000 0.936 87 K CB -0.305 32.245 32.500 0.084 0.000 0.722 87 K HN 0.387 nan 8.250 nan 0.000 0.446 88 E N 0.505 120.764 120.200 0.097 0.000 2.140 88 E HA 0.042 4.409 4.350 0.029 0.000 0.191 88 E C 2.112 178.771 176.600 0.099 0.000 0.973 88 E CA 0.045 56.495 56.400 0.085 0.000 0.829 88 E CB 0.073 29.821 29.700 0.080 0.000 0.781 88 E HN 0.103 nan 8.360 nan 0.000 0.466 89 L N 0.748 122.043 121.223 0.120 0.000 2.083 89 L HA -0.168 4.189 4.340 0.029 0.000 0.209 89 L C 2.283 179.416 176.870 0.438 0.000 1.083 89 L CA 0.715 55.698 54.840 0.238 0.000 0.752 89 L CB -0.126 42.002 42.059 0.115 0.000 0.899 89 L HN 0.287 nan 8.230 nan 0.000 0.433 90 M N -0.793 118.998 119.600 0.318 0.000 2.446 90 M HA -0.127 4.371 4.480 0.029 0.000 0.263 90 M C 2.183 178.542 176.300 0.097 0.000 1.066 90 M CA 1.743 57.212 55.300 0.282 0.000 1.087 90 M CB -1.280 31.431 32.600 0.185 0.000 1.406 90 M HN 0.386 nan 8.290 nan 0.000 0.459 91 T N -2.733 111.870 114.554 0.081 0.000 3.129 91 T HA 0.356 4.724 4.350 0.029 0.000 0.251 91 T C 0.855 175.543 174.700 -0.021 0.000 1.117 91 T CA 0.552 62.661 62.100 0.016 0.000 1.034 91 T CB -0.043 68.841 68.868 0.025 0.000 0.968 91 T HN 0.288 nan 8.240 nan 0.000 0.526 92 A N 0.595 123.409 122.820 -0.010 0.000 2.992 92 A HA 0.468 4.805 4.320 0.029 0.000 0.263 92 A C 1.344 178.786 177.584 -0.237 0.000 0.928 92 A CA -0.701 51.307 52.037 -0.049 0.000 1.061 92 A CB 0.120 19.150 19.000 0.051 0.000 1.173 92 A HN 0.347 nan 8.150 nan 0.000 0.482 93 K N 1.010 121.058 120.400 -0.587 0.000 2.152 93 K HA -0.186 4.151 4.320 0.029 0.000 0.206 93 K C 1.689 177.867 176.600 -0.703 0.000 1.048 93 K CA 1.520 57.027 56.287 -1.300 0.000 0.933 93 K CB 0.096 31.880 32.500 -1.194 0.000 0.721 93 K HN 0.740 nan 8.250 nan 0.000 0.447 94 E N 1.489 121.488 120.200 -0.335 0.000 2.333 94 E HA -0.195 4.173 4.350 0.029 0.000 0.198 94 E C 1.417 177.974 176.600 -0.071 0.000 1.007 94 E CA 1.049 57.349 56.400 -0.166 0.000 0.845 94 E CB -0.031 29.602 29.700 -0.112 0.000 0.766 94 E HN 0.186 nan 8.360 nan 0.000 0.507 95 R N -0.343 120.140 120.500 -0.029 0.000 2.246 95 R HA 0.020 4.377 4.340 0.029 0.000 0.199 95 R C 1.810 178.249 176.300 0.232 0.000 0.984 95 R CA 0.466 56.617 56.100 0.086 0.000 1.015 95 R CB -0.620 29.742 30.300 0.103 0.000 0.930 95 R HN 0.254 nan 8.270 nan 0.000 0.475 96 W N 1.855 123.192 121.300 0.061 0.000 2.318 96 W HA -0.063 4.615 4.660 0.029 0.000 0.313 96 W C -0.630 175.913 176.519 0.039 0.000 1.221 96 W CA 0.730 58.161 57.345 0.145 0.000 1.266 96 W CB -2.084 27.533 29.460 0.262 0.000 1.150 96 W HN 0.141 nan 8.180 nan 0.000 0.496 97 P HA -0.195 nan 4.420 nan 0.000 0.216 97 P C 1.679 178.984 177.300 0.009 0.000 1.150 97 P CA 2.168 65.332 63.100 0.107 0.000 0.837 97 P CB -0.198 31.553 31.700 0.084 0.000 0.786 98 Q N -1.167 118.638 119.800 0.010 0.000 2.119 98 Q HA -0.153 4.205 4.340 0.029 0.000 0.201 98 Q C 2.080 178.026 176.000 -0.091 0.000 0.972 98 Q CA 1.032 56.815 55.803 -0.033 0.000 0.847 98 Q CB -0.731 27.997 28.738 -0.017 0.000 0.903 98 Q HN 0.180 nan 8.270 nan 0.000 0.433 99 L N 0.607 121.763 121.223 -0.112 0.000 2.017 99 L HA -0.123 4.234 4.340 0.029 0.000 0.208 99 L C 2.203 178.782 176.870 -0.486 0.000 1.073 99 L CA 2.083 56.777 54.840 -0.244 0.000 0.745 99 L CB -0.825 41.125 42.059 -0.182 0.000 0.894 99 L HN 0.104 nan 8.230 nan 0.000 0.432 100 A N -0.229 122.186 122.820 -0.674 0.000 1.873 100 A HA -0.251 4.086 4.320 0.029 0.000 0.218 100 A C 2.474 179.867 177.584 -0.319 0.000 1.193 100 A CA 2.466 54.081 52.037 -0.703 0.000 0.629 100 A CB -1.431 17.339 19.000 -0.383 0.000 0.826 100 A HN 0.620 nan 8.150 nan 0.000 0.447 101 A N -0.456 122.251 122.820 -0.188 0.000 1.908 101 A HA 0.121 4.458 4.320 0.029 0.000 0.218 101 A C 2.483 180.000 177.584 -0.111 0.000 1.181 101 A CA 2.311 54.281 52.037 -0.112 0.000 0.627 101 A CB -0.989 17.968 19.000 -0.071 0.000 0.818 101 A HN 1.197 nan 8.150 nan 0.000 0.445 102 A N -0.789 121.951 122.820 -0.133 0.000 2.014 102 A HA 0.145 4.482 4.320 0.029 0.000 0.218 102 A C 1.975 179.490 177.584 -0.115 0.000 1.163 102 A CA 1.189 53.160 52.037 -0.110 0.000 0.652 102 A CB -0.398 18.538 19.000 -0.107 0.000 0.808 102 A HN 0.463 nan 8.150 nan 0.000 0.449 103 L N -1.948 119.175 121.223 -0.167 0.000 2.509 103 L HA 0.198 4.555 4.340 0.029 0.000 0.222 103 L C 1.954 178.769 176.870 -0.091 0.000 1.123 103 L CA 0.627 55.385 54.840 -0.137 0.000 0.856 103 L CB -0.050 41.887 42.059 -0.203 0.000 0.985 103 L HN 0.579 nan 8.230 nan 0.000 0.456 104 G N -0.862 107.882 108.800 -0.093 0.000 2.399 104 G HA2 -0.275 3.703 3.960 0.029 0.000 0.216 104 G HA3 -0.275 3.703 3.960 0.029 0.000 0.216 104 G C 0.392 175.263 174.900 -0.049 0.000 1.096 104 G CA -0.292 44.775 45.100 -0.055 0.000 0.650 104 G HN 0.353 nan 8.290 nan 0.000 0.512 105 Q N 1.249 121.017 119.800 -0.054 0.000 2.450 105 Q HA 0.313 4.670 4.340 0.029 0.000 0.294 105 Q C 0.137 176.134 176.000 -0.004 0.000 1.129 105 Q CA 0.831 56.628 55.803 -0.010 0.000 0.970 105 Q CB 0.346 29.107 28.738 0.039 0.000 1.294 105 Q HN 0.557 nan 8.270 nan 0.000 0.453 106 D N -0.400 120.027 120.400 0.046 0.000 2.341 106 D HA 0.018 4.675 4.640 0.029 0.000 0.245 106 D C 0.441 176.800 176.300 0.098 0.000 1.106 106 D CA 0.098 54.131 54.000 0.054 0.000 0.905 106 D CB 1.028 41.862 40.800 0.056 0.000 1.202 106 D HN 0.417 nan 8.370 nan 0.000 0.426 107 T N 2.651 117.257 114.554 0.088 0.000 2.622 107 T HA -0.184 4.184 4.350 0.029 0.000 0.266 107 T C 1.572 176.385 174.700 0.188 0.000 1.047 107 T CA 1.368 63.550 62.100 0.136 0.000 1.159 107 T CB -0.148 68.780 68.868 0.100 0.000 0.863 107 T HN 0.444 nan 8.240 nan 0.000 0.422 108 K N 0.642 121.121 120.400 0.132 0.000 2.155 108 K HA 0.142 4.479 4.320 0.029 0.000 0.203 108 K C 2.321 178.983 176.600 0.105 0.000 1.052 108 K CA 0.721 57.080 56.287 0.120 0.000 0.948 108 K CB -0.266 32.284 32.500 0.083 0.000 0.728 108 K HN 0.267 nan 8.250 nan 0.000 0.448 109 L N -0.074 121.208 121.223 0.098 0.000 2.093 109 L HA -0.139 4.219 4.340 0.029 0.000 0.208 109 L C 2.334 179.241 176.870 0.062 0.000 1.085 109 L CA 0.951 55.833 54.840 0.070 0.000 0.755 109 L CB -0.355 41.743 42.059 0.065 0.000 0.904 109 L HN 0.109 nan 8.230 nan 0.000 0.435 110 F N 0.977 120.910 119.950 -0.029 0.000 2.102 110 F HA -0.199 4.345 4.527 0.029 0.000 0.298 110 F C 2.452 178.161 175.800 -0.153 0.000 1.105 110 F CA 1.266 59.211 58.000 -0.092 0.000 1.239 110 F CB -0.262 38.688 39.000 -0.083 0.000 0.991 110 F HN -0.016 nan 8.300 nan 0.000 0.474 111 A N 0.018 122.831 122.820 -0.011 0.000 1.902 111 A HA -0.201 4.136 4.320 0.029 0.000 0.217 111 A C 1.996 179.545 177.584 -0.059 0.000 1.181 111 A CA 2.008 54.068 52.037 0.039 0.000 0.623 111 A CB -1.047 18.183 19.000 0.384 0.000 0.818 111 A HN 0.445 nan 8.150 nan 0.000 0.443 112 D N -0.831 119.550 120.400 -0.031 0.000 2.117 112 D HA -0.151 4.506 4.640 0.029 0.000 0.197 112 D C 2.074 178.302 176.300 -0.120 0.000 0.987 112 D CA 1.305 55.284 54.000 -0.034 0.000 0.829 112 D CB -0.311 40.485 40.800 -0.007 0.000 0.961 112 D HN 0.525 nan 8.370 nan 0.000 0.460 113 R N 0.354 120.724 120.500 -0.218 0.000 2.073 113 R HA -0.121 4.236 4.340 0.029 0.000 0.234 113 R C 2.127 178.218 176.300 -0.348 0.000 1.134 113 R CA 1.017 56.959 56.100 -0.263 0.000 0.952 113 R CB -0.048 30.078 30.300 -0.289 0.000 0.850 113 R HN 0.082 nan 8.270 nan 0.000 0.433 114 I N 1.357 121.565 120.570 -0.604 0.000 2.252 114 I HA -0.196 3.991 4.170 0.029 0.000 0.245 114 I C 2.132 178.103 176.117 -0.243 0.000 1.102 114 I CA 1.309 62.252 61.300 -0.596 0.000 1.385 114 I CB -1.389 35.891 38.000 -1.200 0.000 1.064 114 I HN 0.232 nan 8.210 nan 0.000 0.414 115 E N 0.866 120.997 120.200 -0.115 0.000 2.118 115 E HA -0.245 4.122 4.350 0.029 0.000 0.195 115 E C 2.162 178.761 176.600 -0.002 0.000 0.992 115 E CA 1.137 57.563 56.400 0.043 0.000 0.804 115 E CB -0.226 29.533 29.700 0.100 0.000 0.741 115 E HN 0.603 nan 8.360 nan 0.000 0.458 116 Q N 0.049 119.823 119.800 -0.043 0.000 2.224 116 Q HA -0.093 4.264 4.340 0.029 0.000 0.203 116 Q C 0.708 176.691 176.000 -0.030 0.000 0.970 116 Q CA 1.061 56.844 55.803 -0.032 0.000 0.865 116 Q CB -0.008 28.704 28.738 -0.043 0.000 0.922 116 Q HN 0.216 nan 8.270 nan 0.000 0.445 117 N N -1.054 117.615 118.700 -0.052 0.000 2.234 117 N HA 0.212 4.970 4.740 0.029 0.000 0.227 117 N C 0.605 176.105 175.510 -0.016 0.000 1.151 117 N CA 0.243 53.271 53.050 -0.036 0.000 0.865 117 N CB 0.769 39.219 38.487 -0.062 0.000 1.066 117 N HN 0.122 nan 8.380 nan 0.000 0.515 118 A N 0.951 123.772 122.820 0.002 0.000 1.986 118 A HA -0.189 4.148 4.320 0.029 0.000 0.220 118 A C 1.860 179.467 177.584 0.038 0.000 1.171 118 A CA 1.419 53.476 52.037 0.033 0.000 0.640 118 A CB -0.075 18.956 19.000 0.052 0.000 0.811 118 A HN 0.183 nan 8.150 nan 0.000 0.451 119 E N -0.244 119.974 120.200 0.031 0.000 2.478 119 E HA 0.033 4.400 4.350 0.029 0.000 0.194 119 E C 0.507 177.132 176.600 0.040 0.000 1.045 119 E CA 0.044 56.465 56.400 0.034 0.000 0.868 119 E CB 0.017 29.733 29.700 0.028 0.000 0.885 119 E HN 0.579 nan 8.360 nan 0.000 0.505 120 R N 0.647 121.172 120.500 0.042 0.000 2.582 120 R HA 0.136 4.493 4.340 0.029 0.000 0.271 120 R C 0.899 177.250 176.300 0.085 0.000 1.078 120 R CA -0.016 56.118 56.100 0.058 0.000 1.127 120 R CB 0.639 30.971 30.300 0.053 0.000 1.038 120 R HN -0.076 nan 8.270 nan 0.000 0.500 121 E N 0.614 120.883 120.200 0.115 0.000 2.476 121 E HA 0.110 4.477 4.350 0.029 0.000 0.199 121 E C -1.055 175.709 176.600 0.273 0.000 1.021 121 E CA 0.126 56.622 56.400 0.160 0.000 0.907 121 E CB 0.394 30.167 29.700 0.123 0.000 0.974 121 E HN 0.383 nan 8.360 nan 0.000 0.489 122 F N 0.546 120.531 119.950 0.059 0.000 2.615 122 F HA 0.429 4.974 4.527 0.029 0.000 0.312 122 F C -1.744 174.056 175.800 -0.000 0.000 1.119 122 F CA -1.086 56.940 58.000 0.043 0.000 0.979 122 F CB 1.062 39.937 39.000 -0.208 0.000 1.266 122 F HN -0.101 nan 8.300 nan 0.000 0.444 123 I N 1.855 122.029 120.570 -0.660 0.000 2.918 123 I HA 0.522 4.709 4.170 0.029 0.000 0.301 123 I C -2.205 173.530 176.117 -0.637 0.000 1.312 123 I CA -0.976 60.056 61.300 -0.447 0.000 1.007 123 I CB 2.120 40.032 38.000 -0.148 0.000 1.281 123 I HN 0.516 nan 8.210 nan 0.000 0.440 124 Y N 3.823 123.994 120.300 -0.216 0.000 2.308 124 Y HA 0.506 5.073 4.550 0.030 0.000 0.329 124 Y C 0.801 176.689 175.900 -0.021 0.000 1.111 124 Y CA -0.263 57.794 58.100 -0.072 0.000 1.179 124 Y CB 1.649 40.140 38.460 0.052 0.000 1.201 124 Y HN 0.523 nan 8.280 nan 0.000 0.483 125 L N 2.133 123.468 121.223 0.186 0.000 2.200 125 L HA 0.260 4.617 4.340 0.029 0.000 0.200 125 L C -0.158 176.795 176.870 0.137 0.000 1.072 125 L CA 0.433 55.357 54.840 0.140 0.000 0.787 125 L CB 0.242 42.368 42.059 0.113 0.000 0.957 125 L HN 0.417 nan 8.230 nan 0.000 0.459 126 V N -0.403 119.594 119.914 0.138 0.000 3.098 126 V HA 0.412 4.550 4.120 0.029 0.000 0.294 126 V C -1.482 174.664 176.094 0.086 0.000 1.351 126 V CA -0.638 61.714 62.300 0.087 0.000 0.999 126 V CB 2.641 34.492 31.823 0.047 0.000 1.104 126 V HN 0.152 nan 8.190 nan 0.000 0.438 127 R N 2.974 123.493 120.500 0.033 0.000 2.637 127 R HA 0.649 5.007 4.340 0.029 0.000 0.291 127 R C 0.589 176.896 176.300 0.012 0.000 0.963 127 R CA -0.158 55.947 56.100 0.009 0.000 0.901 127 R CB 1.823 32.087 30.300 -0.061 0.000 1.160 127 R HN 1.495 nan 8.270 nan 0.000 0.457 128 G N 2.256 111.065 108.800 0.014 0.000 2.246 128 G HA2 -0.256 3.721 3.960 0.029 0.000 0.273 128 G HA3 -0.256 3.721 3.960 0.029 0.000 0.273 128 G C 0.037 174.942 174.900 0.008 0.000 1.055 128 G CA -0.128 44.978 45.100 0.011 0.000 0.851 128 G HN 0.360 nan 8.290 nan 0.000 0.500 129 L N 0.585 121.811 121.223 0.006 0.000 2.453 129 L HA 0.451 4.809 4.340 0.029 0.000 0.261 129 L C 1.763 178.627 176.870 -0.010 0.000 1.179 129 L CA -0.001 54.838 54.840 -0.002 0.000 0.813 129 L CB 0.505 42.561 42.059 -0.005 0.000 1.110 129 L HN 0.475 nan 8.230 nan 0.000 0.466 130 T N -1.579 112.967 114.554 -0.014 0.000 2.900 130 T HA 0.171 4.538 4.350 0.029 0.000 0.307 130 T C -2.195 172.491 174.700 -0.024 0.000 1.065 130 T CA -1.464 60.624 62.100 -0.021 0.000 1.105 130 T CB 0.746 69.600 68.868 -0.023 0.000 0.979 130 T HN 0.363 nan 8.240 nan 0.000 0.544 131 P HA 0.289 nan 4.420 nan 0.000 0.254 131 P C -0.035 177.250 177.300 -0.024 0.000 1.631 131 P CA 0.137 63.221 63.100 -0.027 0.000 0.861 131 P CB 0.031 31.713 31.700 -0.029 0.000 1.663 132 E N -0.389 119.797 120.200 -0.025 0.000 2.713 132 E HA -0.031 4.336 4.350 0.029 0.000 0.201 132 E C 1.950 178.535 176.600 -0.025 0.000 0.935 132 E CA 0.448 56.834 56.400 -0.024 0.000 1.273 132 E CB -0.531 29.154 29.700 -0.025 0.000 1.221 132 E HN 0.254 nan 8.360 nan 0.000 0.547 133 Q N 0.332 120.117 119.800 -0.025 0.000 2.230 133 Q HA 0.017 4.375 4.340 0.029 0.000 0.202 133 Q C 1.877 177.859 176.000 -0.031 0.000 0.963 133 Q CA 1.532 57.318 55.803 -0.028 0.000 0.866 133 Q CB -0.267 28.455 28.738 -0.027 0.000 0.931 133 Q HN 0.223 nan 8.270 nan 0.000 0.452 134 G N 1.549 110.334 108.800 -0.026 0.000 2.402 134 G HA2 -0.246 3.732 3.960 0.029 0.000 0.216 134 G HA3 -0.246 3.732 3.960 0.029 0.000 0.216 134 G C 1.166 176.048 174.900 -0.030 0.000 1.162 134 G CA 0.742 45.828 45.100 -0.024 0.000 0.777 134 G HN 0.428 nan 8.290 nan 0.000 0.539 135 E N 0.018 120.202 120.200 -0.028 0.000 2.150 135 E HA 0.005 4.373 4.350 0.029 0.000 0.193 135 E C 2.717 179.297 176.600 -0.034 0.000 0.985 135 E CA 0.578 56.961 56.400 -0.029 0.000 0.814 135 E CB -0.234 29.452 29.700 -0.023 0.000 0.752 135 E HN 0.379 nan 8.360 nan 0.000 0.466 136 G N 0.535 109.314 108.800 -0.035 0.000 2.422 136 G HA2 -0.222 3.755 3.960 0.029 0.000 0.218 136 G HA3 -0.222 3.755 3.960 0.029 0.000 0.218 136 G C 1.687 176.557 174.900 -0.049 0.000 1.146 136 G CA 0.643 45.719 45.100 -0.039 0.000 0.769 136 G HN 0.125 nan 8.290 nan 0.000 0.547 137 V N 1.463 121.344 119.914 -0.056 0.000 2.379 137 V HA -0.086 4.051 4.120 0.029 0.000 0.245 137 V C 2.765 178.814 176.094 -0.075 0.000 1.044 137 V CA 0.899 63.156 62.300 -0.071 0.000 1.036 137 V CB -0.272 31.505 31.823 -0.076 0.000 0.664 137 V HN 0.253 nan 8.190 nan 0.000 0.453 138 I N 0.953 121.482 120.570 -0.068 0.000 2.264 138 I HA -0.210 3.977 4.170 0.029 0.000 0.248 138 I C 2.609 178.688 176.117 -0.064 0.000 1.111 138 I CA 1.939 63.196 61.300 -0.073 0.000 1.382 138 I CB -1.559 36.406 38.000 -0.057 0.000 1.060 138 I HN 0.325 nan 8.210 nan 0.000 0.418 139 A N 0.432 123.222 122.820 -0.050 0.000 2.178 139 A HA -0.089 4.249 4.320 0.029 0.000 0.218 139 A C 2.301 179.858 177.584 -0.044 0.000 1.157 139 A CA 0.785 52.797 52.037 -0.042 0.000 0.689 139 A CB -0.680 18.300 19.000 -0.035 0.000 0.787 139 A HN 0.437 nan 8.150 nan 0.000 0.465 140 L N -1.454 119.738 121.223 -0.052 0.000 2.376 140 L HA -0.053 4.304 4.340 0.029 0.000 0.219 140 L C 0.525 177.365 176.870 -0.049 0.000 1.133 140 L CA 0.718 55.529 54.840 -0.048 0.000 0.816 140 L CB -0.309 41.719 42.059 -0.052 0.000 0.933 140 L HN 0.376 nan 8.230 nan 0.000 0.449 141 K N -0.269 120.093 120.400 -0.064 0.000 3.096 141 K HA -0.152 4.185 4.320 0.029 0.000 0.266 141 K C -0.441 176.115 176.600 -0.073 0.000 1.043 141 K CA -0.070 56.175 56.287 -0.070 0.000 0.758 141 K CB -2.130 30.340 32.500 -0.049 0.000 1.260 141 K HN 0.087 nan 8.250 nan 0.000 0.481 142 V N 1.230 121.092 119.914 -0.086 0.000 2.508 142 V HA 0.122 4.260 4.120 0.029 0.000 0.281 142 V C -1.590 174.432 176.094 -0.120 0.000 1.041 142 V CA -1.385 60.878 62.300 -0.063 0.000 1.016 142 V CB 0.604 32.414 31.823 -0.021 0.000 0.984 142 V HN 0.099 nan 8.190 nan 0.000 0.478 143 P HA 0.267 nan 4.420 nan 0.000 0.268 143 P C 0.926 178.139 177.300 -0.146 0.000 1.204 143 P CA 1.081 64.116 63.100 -0.108 0.000 0.768 143 P CB 0.650 32.331 31.700 -0.031 0.000 0.842 144 G N 1.133 109.755 108.800 -0.296 0.000 2.176 144 G HA2 -0.189 3.789 3.960 0.029 0.000 0.253 144 G HA3 -0.189 3.789 3.960 0.029 0.000 0.253 144 G C -0.048 174.481 174.900 -0.619 0.000 0.979 144 G CA -0.215 44.694 45.100 -0.318 0.000 0.641 144 G HN 0.529 nan 8.290 nan 0.000 0.530 145 V N 1.008 120.464 119.914 -0.764 0.000 2.407 145 V HA 0.720 4.857 4.120 0.029 0.000 0.278 145 V C -0.071 175.394 176.094 -1.047 0.000 1.037 145 V CA -0.550 61.343 62.300 -0.679 0.000 0.900 145 V CB 0.832 32.446 31.823 -0.348 0.000 0.983 145 V HN 0.275 nan 8.190 nan 0.000 0.459 146 Y N 1.753 121.652 120.300 -0.669 0.000 2.605 146 Y HA 0.685 5.252 4.550 0.029 0.000 0.343 146 Y C 0.399 176.036 175.900 -0.438 0.000 1.036 146 Y CA -0.852 56.829 58.100 -0.699 0.000 1.065 146 Y CB 2.341 40.028 38.460 -1.289 0.000 1.288 146 Y HN 0.619 nan 8.280 nan 0.000 0.481 147 S N 1.155 116.870 115.700 0.026 0.000 2.566 147 S HA 0.868 5.356 4.470 0.029 0.000 0.298 147 S C -1.221 173.535 174.600 0.261 0.000 1.083 147 S CA -0.691 57.586 58.200 0.129 0.000 0.978 147 S CB 1.662 64.897 63.200 0.058 0.000 1.073 147 S HN 0.568 nan 8.310 nan 0.000 0.491 148 I N 1.166 121.893 120.570 0.262 0.000 2.533 148 I HA 0.329 4.516 4.170 0.029 0.000 0.290 148 I C -0.815 175.359 176.117 0.095 0.000 1.056 148 I CA -0.632 60.802 61.300 0.223 0.000 1.057 148 I CB 2.360 40.545 38.000 0.308 0.000 1.240 148 I HN 0.708 nan 8.210 nan 0.000 0.423 149 E N 5.667 125.877 120.200 0.017 0.000 2.180 149 E HA 0.269 4.636 4.350 0.029 0.000 0.283 149 E C -0.767 175.699 176.600 -0.222 0.000 1.061 149 E CA -0.131 56.196 56.400 -0.121 0.000 0.861 149 E CB 1.087 30.698 29.700 -0.149 0.000 1.056 149 E HN 0.428 nan 8.360 nan 0.000 0.407 150 E N 1.947 121.981 120.200 -0.277 0.000 2.469 150 E HA 0.551 4.918 4.350 0.029 0.000 0.246 150 E C -0.789 175.470 176.600 -0.570 0.000 0.969 150 E CA -0.905 55.338 56.400 -0.261 0.000 0.881 150 E CB 1.162 30.832 29.700 -0.050 0.000 1.320 150 E HN 0.239 nan 8.360 nan 0.000 0.421 151 F N 0.131 120.100 119.950 0.031 0.000 2.565 151 F HA 0.476 5.020 4.527 0.029 0.000 0.313 151 F C -0.111 175.692 175.800 0.005 0.000 1.091 151 F CA -0.889 57.118 58.000 0.011 0.000 0.915 151 F CB 2.011 40.998 39.000 -0.021 0.000 1.208 151 F HN 0.181 nan 8.300 nan 0.000 0.453 152 R N 2.051 122.659 120.500 0.180 0.000 2.686 152 R HA 0.571 4.928 4.340 0.029 0.000 0.283 152 R C -0.959 175.385 176.300 0.073 0.000 0.978 152 R CA -0.783 55.384 56.100 0.111 0.000 0.897 152 R CB 1.324 31.674 30.300 0.083 0.000 1.192 152 R HN 0.546 nan 8.270 nan 0.000 0.457 153 R N 2.598 123.103 120.500 0.008 0.000 2.539 153 R HA 0.238 4.595 4.340 0.029 0.000 0.275 153 R C -0.869 175.304 176.300 -0.211 0.000 1.077 153 R CA -0.179 55.807 56.100 -0.191 0.000 1.097 153 R CB 0.487 30.554 30.300 -0.389 0.000 1.018 153 R HN 0.526 nan 8.270 nan 0.000 0.483 154 F N 2.231 121.915 119.950 -0.443 0.000 2.507 154 F HA 0.325 4.870 4.527 0.030 0.000 0.325 154 F C -1.260 174.253 175.800 -0.478 0.000 1.116 154 F CA -1.277 56.527 58.000 -0.327 0.000 0.930 154 F CB 1.046 39.966 39.000 -0.133 0.000 1.146 154 F HN 0.325 nan 8.300 nan 0.000 0.447 155 Y N 7.423 127.206 120.300 -0.860 0.000 2.587 155 Y HA 0.364 4.933 4.550 0.031 0.000 0.328 155 Y C -1.919 173.430 175.900 -0.918 0.000 0.980 155 Y CA -2.454 55.265 58.100 -0.636 0.000 1.272 155 Y CB 0.809 39.042 38.460 -0.378 0.000 1.094 155 Y HN 0.461 nan 8.280 nan 0.000 0.503 156 P HA -0.188 nan 4.420 nan 0.000 0.218 156 P C 1.131 178.334 177.300 -0.161 0.000 1.148 156 P CA 1.744 64.634 63.100 -0.350 0.000 0.822 156 P CB 0.446 32.141 31.700 -0.008 0.000 0.784 157 A N -1.475 121.261 122.820 -0.140 0.000 2.275 157 A HA 0.454 4.791 4.320 0.029 0.000 0.212 157 A C 1.585 179.075 177.584 -0.156 0.000 1.201 157 A CA 0.755 52.731 52.037 -0.102 0.000 0.843 157 A CB -1.245 17.656 19.000 -0.165 0.000 0.873 157 A HN 0.257 nan 8.150 nan 0.000 0.492 158 G N 1.318 109.998 108.800 -0.200 0.000 2.672 158 G HA2 -0.502 3.476 3.960 0.029 0.000 0.324 158 G HA3 -0.502 3.476 3.960 0.029 0.000 0.324 158 G C 1.001 175.705 174.900 -0.326 0.000 1.286 158 G CA 1.278 46.236 45.100 -0.236 0.000 1.004 158 G HN 0.979 nan 8.290 nan 0.000 0.548 159 E N 0.129 120.145 120.200 -0.306 0.000 2.265 159 E HA -0.010 4.357 4.350 0.029 0.000 0.196 159 E C 2.439 178.815 176.600 -0.373 0.000 0.996 159 E CA 1.805 57.996 56.400 -0.348 0.000 0.832 159 E CB -0.277 29.312 29.700 -0.184 0.000 0.756 159 E HN 0.440 nan 8.360 nan 0.000 0.491 160 V N 1.127 120.774 119.914 -0.446 0.000 2.392 160 V HA -0.187 3.950 4.120 0.029 0.000 0.249 160 V C 1.781 177.701 176.094 -0.290 0.000 1.059 160 V CA 1.683 63.647 62.300 -0.560 0.000 1.051 160 V CB 0.035 31.611 31.823 -0.411 0.000 0.658 160 V HN 0.376 nan 8.190 nan 0.000 0.455 161 V N -1.403 118.351 119.914 -0.266 0.000 2.991 161 V HA 0.484 4.621 4.120 0.029 0.000 0.355 161 V C 1.643 177.606 176.094 -0.219 0.000 1.384 161 V CA 0.291 62.480 62.300 -0.185 0.000 1.171 161 V CB -0.030 31.695 31.823 -0.165 0.000 1.190 161 V HN 0.304 nan 8.190 nan 0.000 0.540 162 A N 0.255 122.851 122.820 -0.375 0.000 1.902 162 A HA -0.202 4.136 4.320 0.029 0.000 0.217 162 A C 1.941 179.367 177.584 -0.264 0.000 1.181 162 A CA 2.380 54.089 52.037 -0.546 0.000 0.623 162 A CB -0.625 17.733 19.000 -1.069 0.000 0.818 162 A HN 0.702 nan 8.150 nan 0.000 0.443 163 H N -0.723 118.372 119.070 0.042 0.000 2.357 163 H HA 0.131 4.704 4.556 0.028 0.000 0.301 163 H C 2.465 177.876 175.328 0.138 0.000 1.082 163 H CA 1.149 57.290 56.048 0.156 0.000 1.342 163 H CB -0.035 29.816 29.762 0.147 0.000 1.389 163 H HN 0.543 nan 8.280 nan 0.000 0.511 164 A N 0.515 123.449 122.820 0.190 0.000 1.854 164 A HA -0.104 4.233 4.320 0.029 0.000 0.214 164 A C 2.522 180.212 177.584 0.176 0.000 1.192 164 A CA 1.494 53.639 52.037 0.180 0.000 0.611 164 A CB -0.746 18.311 19.000 0.094 0.000 0.832 164 A HN 0.215 nan 8.150 nan 0.000 0.442 165 V N -0.819 119.133 119.914 0.063 0.000 2.358 165 V HA 0.203 4.340 4.120 0.029 0.000 0.246 165 V C 1.835 177.963 176.094 0.057 0.000 1.047 165 V CA 1.349 63.675 62.300 0.044 0.000 1.035 165 V CB -1.736 30.077 31.823 -0.016 0.000 0.658 165 V HN 1.245 nan 8.190 nan 0.000 0.452 166 G N 0.355 109.175 108.800 0.034 0.000 2.542 166 G HA2 -0.161 3.817 3.960 0.029 0.000 0.235 166 G HA3 -0.161 3.817 3.960 0.029 0.000 0.235 166 G C -0.463 174.501 174.900 0.106 0.000 1.286 166 G CA 0.104 45.266 45.100 0.104 0.000 0.904 166 G HN 1.249 nan 8.290 nan 0.000 0.577 167 F N -2.571 117.380 119.950 0.001 0.000 2.877 167 F HA 0.814 5.357 4.527 0.027 0.000 0.319 167 F C -0.025 175.864 175.800 0.147 0.000 1.174 167 F CA -0.221 57.825 58.000 0.076 0.000 0.903 167 F CB 1.014 40.033 39.000 0.031 0.000 1.357 167 F HN 1.231 nan 8.300 nan 0.000 0.472 168 T N -0.615 114.220 114.554 0.469 0.000 2.918 168 T HA 0.583 4.950 4.350 0.029 0.000 0.286 168 T C -0.838 174.044 174.700 0.304 0.000 1.026 168 T CA -0.479 61.776 62.100 0.257 0.000 1.031 168 T CB 1.748 70.761 68.868 0.242 0.000 1.046 168 T HN 0.825 nan 8.240 nan 0.000 0.479 169 D N 0.786 121.271 120.400 0.142 0.000 2.478 169 D HA 0.145 4.802 4.640 0.029 0.000 0.274 169 D C 1.910 178.289 176.300 0.132 0.000 1.234 169 D CA -0.410 53.676 54.000 0.143 0.000 1.069 169 D CB -0.257 40.577 40.800 0.058 0.000 1.113 169 D HN 0.447 nan 8.370 nan 0.000 0.571 170 V N -2.684 117.286 119.914 0.094 0.000 2.568 170 V HA -0.149 3.988 4.120 0.029 0.000 0.253 170 V C 0.845 176.966 176.094 0.046 0.000 1.072 170 V CA 1.841 64.179 62.300 0.064 0.000 1.084 170 V CB -0.758 31.086 31.823 0.035 0.000 0.676 170 V HN 0.399 nan 8.190 nan 0.000 0.469 171 D N -0.212 120.214 120.400 0.043 0.000 2.325 171 D HA 0.119 4.776 4.640 0.029 0.000 0.225 171 D C 0.795 177.129 176.300 0.057 0.000 1.096 171 D CA 0.818 54.839 54.000 0.036 0.000 0.844 171 D CB 0.014 40.827 40.800 0.021 0.000 0.925 171 D HN 0.618 nan 8.370 nan 0.000 0.513 172 D N 0.747 121.194 120.400 0.078 0.000 2.870 172 D HA -0.186 4.471 4.640 0.029 0.000 0.228 172 D C -0.476 175.863 176.300 0.064 0.000 1.147 172 D CA 0.574 54.627 54.000 0.089 0.000 0.757 172 D CB -0.758 40.103 40.800 0.102 0.000 1.091 172 D HN 0.263 nan 8.370 nan 0.000 0.429 173 R N -0.509 120.023 120.500 0.052 0.000 2.604 173 R HA 0.664 5.022 4.340 0.029 0.000 0.287 173 R C 0.913 177.221 176.300 0.014 0.000 0.970 173 R CA -0.345 55.771 56.100 0.026 0.000 0.946 173 R CB 1.402 31.708 30.300 0.010 0.000 1.127 173 R HN 0.105 nan 8.270 nan 0.000 0.473 174 G N 1.136 109.934 108.800 -0.002 0.000 2.340 174 G HA2 -0.043 3.934 3.960 0.029 0.000 0.245 174 G HA3 -0.043 3.934 3.960 0.029 0.000 0.245 174 G C 0.310 175.142 174.900 -0.112 0.000 1.294 174 G CA -0.150 44.926 45.100 -0.039 0.000 0.896 174 G HN 0.520 nan 8.290 nan 0.000 0.522 175 R N 0.775 121.136 120.500 -0.232 0.000 2.310 175 R HA 0.174 4.532 4.340 0.029 0.000 0.199 175 R C -0.019 176.059 176.300 -0.370 0.000 0.891 175 R CA 0.526 56.424 56.100 -0.338 0.000 1.060 175 R CB 0.654 30.605 30.300 -0.582 0.000 1.188 175 R HN 0.655 nan 8.270 nan 0.000 0.607 176 E N -2.056 117.908 120.200 -0.393 0.000 2.433 176 E HA 0.486 4.853 4.350 0.029 0.000 0.278 176 E C -0.412 176.138 176.600 -0.084 0.000 0.976 176 E CA 0.167 56.439 56.400 -0.215 0.000 0.793 176 E CB 1.919 31.488 29.700 -0.218 0.000 1.311 176 E HN 0.215 nan 8.360 nan 0.000 0.460 177 G N 1.419 110.244 108.800 0.041 0.000 2.594 177 G HA2 -0.332 3.645 3.960 0.029 0.000 0.297 177 G HA3 -0.332 3.645 3.960 0.029 0.000 0.297 177 G C 0.953 175.770 174.900 -0.138 0.000 1.273 177 G CA 0.173 45.356 45.100 0.138 0.000 0.974 177 G HN 0.480 nan 8.290 nan 0.000 0.552 178 I N 1.594 122.177 120.570 0.020 0.000 2.286 178 I HA -0.102 4.085 4.170 0.029 0.000 0.248 178 I C 2.758 178.901 176.117 0.043 0.000 1.115 178 I CA 2.156 63.466 61.300 0.018 0.000 1.392 178 I CB -1.143 36.924 38.000 0.112 0.000 1.065 178 I HN 0.551 nan 8.210 nan 0.000 0.418 179 E N 0.415 120.641 120.200 0.042 0.000 2.085 179 E HA -0.253 4.114 4.350 0.029 0.000 0.194 179 E C 2.163 178.760 176.600 -0.004 0.000 0.994 179 E CA 1.225 57.660 56.400 0.058 0.000 0.801 179 E CB -0.326 29.425 29.700 0.086 0.000 0.743 179 E HN 0.350 nan 8.360 nan 0.000 0.453 180 L N 0.654 121.823 121.223 -0.090 0.000 2.049 180 L HA 0.040 4.398 4.340 0.029 0.000 0.203 180 L C 2.260 179.016 176.870 -0.191 0.000 1.074 180 L CA 2.030 56.788 54.840 -0.136 0.000 0.749 180 L CB -0.803 41.156 42.059 -0.168 0.000 0.907 180 L HN 0.006 nan 8.230 nan 0.000 0.439 181 A N -0.929 121.684 122.820 -0.345 0.000 1.940 181 A HA -0.183 4.154 4.320 0.029 0.000 0.219 181 A C 1.576 178.869 177.584 -0.485 0.000 1.176 181 A CA 1.916 53.648 52.037 -0.510 0.000 0.631 181 A CB -0.928 17.494 19.000 -0.963 0.000 0.814 181 A HN 0.487 nan 8.150 nan 0.000 0.446 182 F N -0.630 119.222 119.950 -0.163 0.000 2.750 182 F HA 0.192 4.736 4.527 0.028 0.000 0.297 182 F C 1.244 177.069 175.800 0.042 0.000 1.138 182 F CA -0.389 57.587 58.000 -0.039 0.000 1.346 182 F CB 0.085 39.068 39.000 -0.028 0.000 0.965 182 F HN 0.213 nan 8.300 nan 0.000 0.514 183 D N 1.011 121.455 120.400 0.073 0.000 2.116 183 D HA -0.252 4.405 4.640 0.029 0.000 0.193 183 D C 2.204 178.556 176.300 0.087 0.000 0.998 183 D CA 1.736 55.774 54.000 0.063 0.000 0.836 183 D CB 0.155 40.954 40.800 -0.001 0.000 0.951 183 D HN 0.458 nan 8.370 nan 0.000 0.449 184 E N -0.669 119.579 120.200 0.079 0.000 2.058 184 E HA -0.199 4.168 4.350 0.029 0.000 0.194 184 E C 2.039 178.732 176.600 0.156 0.000 0.997 184 E CA 0.970 57.423 56.400 0.089 0.000 0.801 184 E CB -0.386 29.355 29.700 0.068 0.000 0.746 184 E HN 0.542 nan 8.360 nan 0.000 0.450 185 W N 1.090 122.421 121.300 0.051 0.000 2.335 185 W HA -0.210 4.467 4.660 0.029 0.000 0.311 185 W C 1.719 178.268 176.519 0.050 0.000 1.213 185 W CA 1.149 58.540 57.345 0.078 0.000 1.274 185 W CB -0.267 29.298 29.460 0.175 0.000 1.148 185 W HN 0.144 nan 8.180 nan 0.000 0.498 186 L N 0.613 121.973 121.223 0.230 0.000 2.131 186 L HA -0.105 4.252 4.340 0.029 0.000 0.206 186 L C 2.835 179.694 176.870 -0.018 0.000 1.087 186 L CA 1.169 56.066 54.840 0.095 0.000 0.767 186 L CB -1.190 40.962 42.059 0.155 0.000 0.917 186 L HN -0.101 nan 8.230 nan 0.000 0.441 187 A N -0.202 122.618 122.820 -0.000 0.000 1.930 187 A HA 0.188 4.526 4.320 0.029 0.000 0.217 187 A C 1.632 179.184 177.584 -0.054 0.000 1.175 187 A CA 1.246 53.267 52.037 -0.026 0.000 0.627 187 A CB -0.742 18.258 19.000 -0.001 0.000 0.815 187 A HN 0.496 nan 8.150 nan 0.000 0.443 188 G N -1.978 106.778 108.800 -0.074 0.000 2.528 188 G HA2 -0.026 3.952 3.960 0.029 0.000 0.262 188 G HA3 -0.026 3.952 3.960 0.029 0.000 0.262 188 G C 0.082 174.955 174.900 -0.045 0.000 1.200 188 G CA 0.531 45.583 45.100 -0.080 0.000 0.951 188 G HN 1.798 nan 8.290 nan 0.000 0.566 189 V N 1.998 121.893 119.914 -0.032 0.000 2.711 189 V HA 0.667 4.804 4.120 0.029 0.000 0.304 189 V C -2.391 173.705 176.094 0.002 0.000 1.097 189 V CA -0.985 61.306 62.300 -0.015 0.000 0.906 189 V CB 2.261 34.072 31.823 -0.020 0.000 1.015 189 V HN 0.826 nan 8.190 nan 0.000 0.427 190 P HA 0.409 nan 4.420 nan 0.000 0.272 190 P C 0.057 177.369 177.300 0.019 0.000 1.223 190 P CA 0.337 63.453 63.100 0.028 0.000 0.784 190 P CB 0.915 32.632 31.700 0.027 0.000 0.923 214 K N 3.589 123.985 120.400 -0.006 0.000 2.240 214 K HA 0.536 4.873 4.320 0.029 0.000 0.271 214 K C -2.506 174.070 176.600 -0.040 0.000 1.018 214 K CA -2.007 54.263 56.287 -0.028 0.000 0.874 214 K CB 1.630 34.104 32.500 -0.043 0.000 1.098 214 K HN 0.558 nan 8.250 nan 0.000 0.458 215 P HA -0.010 nan 4.420 nan 0.000 0.269 215 P C 0.130 177.378 177.300 -0.087 0.000 1.215 215 P CA -0.239 62.835 63.100 -0.043 0.000 0.780 215 P CB 0.672 32.350 31.700 -0.036 0.000 0.898 216 G N 1.902 110.645 108.800 -0.095 0.000 2.653 216 G HA2 0.234 4.212 3.960 0.029 0.000 0.265 216 G HA3 0.234 4.212 3.960 0.029 0.000 0.265 216 G C -0.488 174.282 174.900 -0.216 0.000 1.237 216 G CA -0.548 44.453 45.100 -0.165 0.000 0.946 216 G HN 0.424 nan 8.290 nan 0.000 0.522 217 K N -0.361 119.793 120.400 -0.409 0.000 2.156 217 K HA 0.427 4.764 4.320 0.029 0.000 0.254 217 K C 0.058 176.595 176.600 -0.106 0.000 0.950 217 K CA -0.428 55.589 56.287 -0.451 0.000 0.849 217 K CB 1.567 33.384 32.500 -1.138 0.000 1.100 217 K HN 0.388 nan 8.250 nan 0.000 0.434 218 T N 1.851 116.439 114.554 0.057 0.000 2.926 218 T HA 0.177 4.544 4.350 0.029 0.000 0.307 218 T C -0.609 174.300 174.700 0.349 0.000 1.059 218 T CA -0.104 62.092 62.100 0.160 0.000 1.122 218 T CB 0.235 69.165 68.868 0.103 0.000 0.972 218 T HN 0.230 nan 8.240 nan 0.000 0.545 219 L N 2.372 123.716 121.223 0.202 0.000 2.438 219 L HA 0.691 5.048 4.340 0.029 0.000 0.270 219 L C -0.717 176.136 176.870 -0.028 0.000 0.972 219 L CA -0.581 54.305 54.840 0.077 0.000 0.831 219 L CB 1.379 43.418 42.059 -0.033 0.000 1.273 219 L HN 0.735 nan 8.230 nan 0.000 0.405 220 A N 6.019 128.800 122.820 -0.064 0.000 2.260 220 A HA 0.675 5.012 4.320 0.029 0.000 0.308 220 A C -0.451 177.062 177.584 -0.119 0.000 1.254 220 A CA -0.557 51.441 52.037 -0.066 0.000 0.874 220 A CB 0.179 19.157 19.000 -0.036 0.000 1.153 220 A HN 0.754 nan 8.150 nan 0.000 0.527 221 L N 2.029 123.191 121.223 -0.101 0.000 2.475 221 L HA 0.194 4.552 4.340 0.029 0.000 0.253 221 L C 1.785 178.612 176.870 -0.072 0.000 1.198 221 L CA 0.039 54.817 54.840 -0.104 0.000 0.814 221 L CB 1.068 43.085 42.059 -0.071 0.000 1.134 221 L HN 0.944 nan 8.230 nan 0.000 0.478 222 S N -0.097 115.568 115.700 -0.059 0.000 2.461 222 S HA 0.063 4.550 4.470 0.029 0.000 0.228 222 S C 0.875 175.455 174.600 -0.032 0.000 1.005 222 S CA -0.080 58.096 58.200 -0.039 0.000 0.942 222 S CB -0.148 63.035 63.200 -0.030 0.000 0.776 222 S HN 0.335 nan 8.310 nan 0.000 0.514 223 I N 3.561 124.109 120.570 -0.036 0.000 2.775 223 I HA 0.092 4.279 4.170 0.029 0.000 0.290 223 I C 0.192 176.281 176.117 -0.047 0.000 1.203 223 I CA 0.447 61.724 61.300 -0.039 0.000 1.433 223 I CB -0.038 37.935 38.000 -0.046 0.000 1.354 223 I HN 0.268 nan 8.210 nan 0.000 0.579 224 D N 6.241 126.615 120.400 -0.045 0.000 2.373 224 D HA 0.081 4.738 4.640 0.029 0.000 0.227 224 D C 0.808 177.061 176.300 -0.078 0.000 1.091 224 D CA -0.574 53.399 54.000 -0.045 0.000 0.840 224 D CB 1.267 42.054 40.800 -0.022 0.000 1.060 224 D HN 0.372 nan 8.370 nan 0.000 0.502 225 L N 5.457 126.607 121.223 -0.122 0.000 2.129 225 L HA -0.154 4.203 4.340 0.029 0.000 0.212 225 L C 2.123 178.844 176.870 -0.248 0.000 1.087 225 L CA 1.733 56.414 54.840 -0.265 0.000 0.757 225 L CB -0.155 41.715 42.059 -0.314 0.000 0.896 225 L HN 0.382 nan 8.230 nan 0.000 0.434 226 R N -1.373 119.106 120.500 -0.035 0.000 2.081 226 R HA -0.145 4.212 4.340 0.029 0.000 0.235 226 R C 2.113 178.468 176.300 0.092 0.000 1.131 226 R CA 1.507 57.677 56.100 0.116 0.000 0.960 226 R CB -0.550 29.803 30.300 0.088 0.000 0.856 226 R HN 0.269 nan 8.270 nan 0.000 0.436 227 L N 0.612 121.849 121.223 0.025 0.000 2.109 227 L HA -0.121 4.236 4.340 0.029 0.000 0.207 227 L C 2.526 179.409 176.870 0.022 0.000 1.086 227 L CA 1.488 56.340 54.840 0.020 0.000 0.760 227 L CB -0.498 41.559 42.059 -0.003 0.000 0.910 227 L HN 0.094 nan 8.230 nan 0.000 0.437 228 Q N -1.322 118.461 119.800 -0.027 0.000 2.050 228 Q HA -0.237 4.120 4.340 0.029 0.000 0.202 228 Q C 2.165 178.188 176.000 0.039 0.000 0.980 228 Q CA 1.900 57.679 55.803 -0.039 0.000 0.840 228 Q CB -0.350 28.301 28.738 -0.144 0.000 0.898 228 Q HN 0.444 nan 8.270 nan 0.000 0.424 229 Y N -0.150 120.161 120.300 0.020 0.000 2.128 229 Y HA -0.206 4.360 4.550 0.027 0.000 0.284 229 Y C 2.014 177.960 175.900 0.077 0.000 1.154 229 Y CA 1.294 59.415 58.100 0.035 0.000 1.149 229 Y CB -0.805 37.661 38.460 0.010 0.000 0.976 229 Y HN 0.264 nan 8.280 nan 0.000 0.505 230 L N 0.095 121.448 121.223 0.217 0.000 2.017 230 L HA -0.144 4.213 4.340 0.029 0.000 0.208 230 L C 2.362 179.288 176.870 0.093 0.000 1.073 230 L CA 2.177 57.088 54.840 0.119 0.000 0.745 230 L CB -1.166 40.934 42.059 0.068 0.000 0.894 230 L HN 0.114 nan 8.230 nan 0.000 0.432 231 A N -1.340 121.532 122.820 0.087 0.000 1.902 231 A HA -0.300 4.037 4.320 0.029 0.000 0.217 231 A C 2.278 179.915 177.584 0.088 0.000 1.181 231 A CA 1.791 53.866 52.037 0.064 0.000 0.623 231 A CB -1.141 17.891 19.000 0.054 0.000 0.818 231 A HN 0.777 nan 8.150 nan 0.000 0.443 232 H N -0.349 118.749 119.070 0.047 0.000 2.290 232 H HA -0.138 4.439 4.556 0.036 0.000 0.298 232 H C 2.255 177.612 175.328 0.048 0.000 1.087 232 H CA 2.236 58.315 56.048 0.052 0.000 1.291 232 H CB -0.176 29.626 29.762 0.065 0.000 1.369 232 H HN 0.426 nan 8.280 nan 0.000 0.492 233 R N 0.077 120.617 120.500 0.068 0.000 2.073 233 R HA -0.126 4.231 4.340 0.029 0.000 0.234 233 R C 1.982 178.247 176.300 -0.059 0.000 1.134 233 R CA 1.743 57.839 56.100 -0.007 0.000 0.952 233 R CB 0.042 30.391 30.300 0.082 0.000 0.850 233 R HN 0.420 nan 8.270 nan 0.000 0.433 234 E N 0.678 120.863 120.200 -0.024 0.000 2.106 234 E HA -0.176 4.191 4.350 0.029 0.000 0.192 234 E C 1.943 178.517 176.600 -0.044 0.000 0.984 234 E CA 0.681 57.064 56.400 -0.029 0.000 0.806 234 E CB -0.275 29.416 29.700 -0.016 0.000 0.750 234 E HN 0.248 nan 8.360 nan 0.000 0.458 235 L N 1.433 122.624 121.223 -0.053 0.000 2.056 235 L HA -0.081 4.276 4.340 0.029 0.000 0.207 235 L C 2.473 179.293 176.870 -0.083 0.000 1.078 235 L CA 1.615 56.423 54.840 -0.053 0.000 0.749 235 L CB -0.372 41.666 42.059 -0.036 0.000 0.901 235 L HN -0.046 nan 8.230 nan 0.000 0.433 236 R N -0.312 120.094 120.500 -0.157 0.000 2.073 236 R HA -0.189 4.169 4.340 0.029 0.000 0.234 236 R C 2.079 178.330 176.300 -0.083 0.000 1.134 236 R CA 2.140 58.148 56.100 -0.154 0.000 0.952 236 R CB -0.456 29.680 30.300 -0.274 0.000 0.850 236 R HN 0.581 nan 8.270 nan 0.000 0.433 237 N N -0.181 118.477 118.700 -0.071 0.000 2.104 237 N HA -0.179 4.579 4.740 0.029 0.000 0.190 237 N C 1.795 177.286 175.510 -0.033 0.000 1.024 237 N CA 1.113 54.138 53.050 -0.042 0.000 0.853 237 N CB -0.144 38.323 38.487 -0.033 0.000 1.008 237 N HN 0.303 nan 8.380 nan 0.000 0.424 238 A N 0.906 123.706 122.820 -0.034 0.000 1.930 238 A HA -0.065 4.272 4.320 0.029 0.000 0.217 238 A C 2.129 179.701 177.584 -0.020 0.000 1.175 238 A CA 0.912 52.933 52.037 -0.026 0.000 0.627 238 A CB -0.529 18.456 19.000 -0.024 0.000 0.815 238 A HN 0.150 nan 8.150 nan 0.000 0.443 239 L N -0.551 120.658 121.223 -0.023 0.000 2.093 239 L HA -0.101 4.256 4.340 0.029 0.000 0.208 239 L C 2.435 179.299 176.870 -0.010 0.000 1.085 239 L CA 1.249 56.080 54.840 -0.015 0.000 0.755 239 L CB -0.273 41.776 42.059 -0.016 0.000 0.904 239 L HN 0.386 nan 8.230 nan 0.000 0.435 240 L N -1.189 120.025 121.223 -0.015 0.000 2.072 240 L HA -0.188 4.169 4.340 0.029 0.000 0.205 240 L C 2.468 179.334 176.870 -0.007 0.000 1.079 240 L CA 1.217 56.052 54.840 -0.009 0.000 0.752 240 L CB -0.493 41.559 42.059 -0.011 0.000 0.906 240 L HN 0.320 nan 8.230 nan 0.000 0.436 241 E N 0.180 120.374 120.200 -0.011 0.000 2.204 241 E HA -0.182 4.186 4.350 0.029 0.000 0.194 241 E C 1.318 177.914 176.600 -0.008 0.000 0.989 241 E CA 0.839 57.233 56.400 -0.011 0.000 0.824 241 E CB 0.225 29.915 29.700 -0.016 0.000 0.756 241 E HN 0.490 nan 8.360 nan 0.000 0.477 242 N N -0.571 118.126 118.700 -0.004 0.000 2.205 242 N HA 0.038 4.795 4.740 0.029 0.000 0.201 242 N C 0.460 175.976 175.510 0.011 0.000 1.128 242 N CA 0.704 53.757 53.050 0.004 0.000 0.867 242 N CB 1.302 39.793 38.487 0.006 0.000 0.996 242 N HN 0.199 nan 8.380 nan 0.000 0.503 243 G N 1.611 110.415 108.800 0.007 0.000 2.356 243 G HA2 -0.271 3.707 3.960 0.029 0.000 0.296 243 G HA3 -0.271 3.707 3.960 0.029 0.000 0.296 243 G C 0.282 175.190 174.900 0.014 0.000 1.022 243 G CA 0.611 45.717 45.100 0.010 0.000 0.961 243 G HN 0.526 nan 8.290 nan 0.000 0.510 244 A N -0.791 122.036 122.820 0.013 0.000 2.287 244 A HA 0.766 5.103 4.320 0.029 0.000 0.273 244 A C 1.344 178.935 177.584 0.012 0.000 1.091 244 A CA 0.723 52.770 52.037 0.015 0.000 0.817 244 A CB 0.652 19.660 19.000 0.013 0.000 1.069 244 A HN 0.539 nan 8.150 nan 0.000 0.492 245 K N -0.176 120.231 120.400 0.012 0.000 2.076 245 K HA 0.300 4.637 4.320 0.029 0.000 0.204 245 K C 0.474 177.080 176.600 0.011 0.000 1.051 245 K CA 1.419 57.712 56.287 0.011 0.000 0.949 245 K CB -0.046 32.459 32.500 0.009 0.000 0.726 245 K HN 0.924 nan 8.250 nan 0.000 0.443 246 A N -0.773 122.050 122.820 0.005 0.000 2.564 246 A HA 0.661 4.998 4.320 0.029 0.000 0.291 246 A C -1.003 176.574 177.584 -0.012 0.000 1.102 246 A CA -0.418 51.620 52.037 0.002 0.000 0.660 246 A CB 1.435 20.435 19.000 -0.001 0.000 1.283 246 A HN 0.295 nan 8.150 nan 0.000 0.430 247 G N -0.802 107.989 108.800 -0.015 0.000 2.646 247 G HA2 0.654 4.631 3.960 0.029 0.000 0.291 247 G HA3 0.654 4.631 3.960 0.029 0.000 0.291 247 G C -1.253 173.632 174.900 -0.024 0.000 1.445 247 G CA 0.114 45.196 45.100 -0.029 0.000 0.814 247 G HN 1.230 nan 8.290 nan 0.000 0.495 248 S N -0.924 114.756 115.700 -0.034 0.000 2.546 248 S HA 0.794 5.281 4.470 0.029 0.000 0.274 248 S C -1.218 173.385 174.600 0.005 0.000 1.121 248 S CA -0.589 57.606 58.200 -0.009 0.000 0.887 248 S CB 1.888 65.083 63.200 -0.008 0.000 1.094 248 S HN 0.829 nan 8.310 nan 0.000 0.474 249 L N 2.481 123.722 121.223 0.029 0.000 2.505 249 L HA 0.760 5.118 4.340 0.029 0.000 0.266 249 L C -1.813 175.085 176.870 0.048 0.000 0.954 249 L CA -0.493 54.372 54.840 0.042 0.000 0.852 249 L CB 1.487 43.571 42.059 0.041 0.000 1.282 249 L HN 0.522 nan 8.230 nan 0.000 0.403 250 V N 5.487 125.435 119.914 0.057 0.000 2.735 250 V HA 0.553 4.691 4.120 0.029 0.000 0.310 250 V C -0.299 175.831 176.094 0.060 0.000 1.061 250 V CA -0.440 61.891 62.300 0.052 0.000 0.913 250 V CB 2.176 34.032 31.823 0.055 0.000 1.005 250 V HN 0.541 nan 8.190 nan 0.000 0.428 251 I N 4.558 125.154 120.570 0.045 0.000 2.465 251 I HA 0.558 4.745 4.170 0.029 0.000 0.291 251 I C -0.445 175.700 176.117 0.046 0.000 1.014 251 I CA -0.359 60.968 61.300 0.045 0.000 1.093 251 I CB 1.932 39.942 38.000 0.017 0.000 1.267 251 I HN 0.425 nan 8.210 nan 0.000 0.431 252 M N 4.425 124.066 119.600 0.068 0.000 2.530 252 M HA 0.310 4.808 4.480 0.029 0.000 0.307 252 M C -0.996 175.341 176.300 0.062 0.000 1.161 252 M CA -0.725 54.614 55.300 0.065 0.000 0.903 252 M CB 2.430 35.088 32.600 0.097 0.000 1.711 252 M HN 0.438 nan 8.290 nan 0.000 0.451 253 D N 2.217 122.644 120.400 0.045 0.000 2.339 253 D HA 0.148 4.805 4.640 0.029 0.000 0.241 253 D C 1.018 177.346 176.300 0.048 0.000 1.183 253 D CA -0.132 53.892 54.000 0.039 0.000 0.859 253 D CB 1.477 42.292 40.800 0.024 0.000 1.067 253 D HN 0.540 nan 8.370 nan 0.000 0.484 254 V N 2.667 122.609 119.914 0.047 0.000 2.759 254 V HA -0.119 4.019 4.120 0.029 0.000 0.256 254 V C 1.671 177.776 176.094 0.019 0.000 1.080 254 V CA 1.153 63.472 62.300 0.033 0.000 1.101 254 V CB -0.449 31.375 31.823 0.001 0.000 0.698 254 V HN 0.362 nan 8.190 nan 0.000 0.477 255 K N 1.059 121.471 120.400 0.019 0.000 2.314 255 K HA 0.073 4.410 4.320 0.029 0.000 0.198 255 K C 1.972 178.582 176.600 0.017 0.000 1.045 255 K CA 1.327 57.622 56.287 0.013 0.000 0.988 255 K CB 0.063 32.571 32.500 0.014 0.000 0.783 255 K HN 0.750 nan 8.250 nan 0.000 0.484 256 T N -4.403 110.164 114.554 0.022 0.000 2.975 256 T HA 0.226 4.593 4.350 0.029 0.000 0.257 256 T C 1.356 176.069 174.700 0.022 0.000 1.003 256 T CA 0.364 62.475 62.100 0.018 0.000 0.932 256 T CB 0.926 69.801 68.868 0.011 0.000 1.087 256 T HN 0.220 nan 8.240 nan 0.000 0.512 257 G N 1.531 110.353 108.800 0.037 0.000 2.159 257 G HA2 -0.232 3.746 3.960 0.029 0.000 0.256 257 G HA3 -0.232 3.746 3.960 0.029 0.000 0.256 257 G C -0.257 174.649 174.900 0.009 0.000 0.977 257 G CA 0.084 45.209 45.100 0.041 0.000 0.652 257 G HN 0.671 nan 8.290 nan 0.000 0.531 258 E N -0.207 119.998 120.200 0.009 0.000 2.338 258 E HA 0.442 4.809 4.350 0.029 0.000 0.272 258 E C 0.496 177.096 176.600 -0.001 0.000 1.029 258 E CA -0.454 55.944 56.400 -0.003 0.000 0.872 258 E CB 0.989 30.687 29.700 -0.004 0.000 1.015 258 E HN 0.382 nan 8.360 nan 0.000 0.417 259 I N 4.702 125.263 120.570 -0.014 0.000 2.347 259 I HA -0.048 4.139 4.170 0.029 0.000 0.294 259 I C 1.025 177.136 176.117 -0.010 0.000 1.090 259 I CA 0.151 61.443 61.300 -0.013 0.000 1.314 259 I CB 0.297 38.276 38.000 -0.034 0.000 1.423 259 I HN 0.516 nan 8.210 nan 0.000 0.503 260 L N 6.211 127.434 121.223 -0.001 0.000 2.341 260 L HA 0.282 4.639 4.340 0.029 0.000 0.214 260 L C 0.923 177.786 176.870 -0.011 0.000 1.115 260 L CA 0.272 55.108 54.840 -0.007 0.000 0.820 260 L CB -0.142 41.916 42.059 -0.001 0.000 0.944 260 L HN 0.719 nan 8.230 nan 0.000 0.452 261 A N 0.181 123.000 122.820 -0.002 0.000 2.589 261 A HA 0.681 5.018 4.320 0.029 0.000 0.296 261 A C -1.152 176.440 177.584 0.014 0.000 1.062 261 A CA -0.365 51.672 52.037 0.001 0.000 0.686 261 A CB 1.761 20.765 19.000 0.007 0.000 1.282 261 A HN 0.014 nan 8.150 nan 0.000 0.404 262 M N 2.411 122.025 119.600 0.023 0.000 2.215 262 M HA 0.512 5.010 4.480 0.029 0.000 0.251 262 M C -1.286 175.058 176.300 0.073 0.000 0.987 262 M CA 0.135 55.456 55.300 0.035 0.000 1.025 262 M CB 1.704 34.312 32.600 0.013 0.000 2.064 262 M HN 0.919 nan 8.290 nan 0.000 0.473 263 T N 3.254 117.862 114.554 0.089 0.000 2.906 263 T HA 0.774 5.142 4.350 0.029 0.000 0.295 263 T C -1.406 173.374 174.700 0.134 0.000 1.061 263 T CA -0.402 61.787 62.100 0.148 0.000 1.000 263 T CB 1.468 70.429 68.868 0.154 0.000 1.103 263 T HN 0.875 nan 8.240 nan 0.000 0.486 264 N N 1.969 120.794 118.700 0.209 0.000 2.357 264 N HA 0.548 5.305 4.740 0.029 0.000 0.284 264 N C -1.621 173.989 175.510 0.167 0.000 1.236 264 N CA -0.977 52.135 53.050 0.104 0.000 0.774 264 N CB 1.783 40.211 38.487 -0.099 0.000 1.534 264 N HN 0.365 nan 8.380 nan 0.000 0.478 265 Q N 0.813 120.664 119.800 0.085 0.000 2.365 265 Q HA 0.509 4.866 4.340 0.029 0.000 0.269 265 Q C -2.609 173.433 176.000 0.071 0.000 1.061 265 Q CA -1.799 54.060 55.803 0.093 0.000 0.816 265 Q CB 2.466 31.222 28.738 0.031 0.000 1.325 265 Q HN 0.428 nan 8.270 nan 0.000 0.446 266 P HA 0.124 nan 4.420 nan 0.000 0.274 266 P C -0.301 177.172 177.300 0.288 0.000 1.237 266 P CA -0.052 63.135 63.100 0.146 0.000 0.793 266 P CB 1.087 32.855 31.700 0.113 0.000 0.977 267 T N 0.163 114.882 114.554 0.275 0.000 2.807 267 T HA 0.708 5.075 4.350 0.029 0.000 0.277 267 T C -1.364 173.491 174.700 0.258 0.000 1.006 267 T CA -0.426 61.850 62.100 0.293 0.000 1.006 267 T CB 0.556 69.524 68.868 0.167 0.000 1.274 267 T HN 0.473 nan 8.240 nan 0.000 0.569 268 Y N -0.089 120.167 120.300 -0.073 0.000 2.638 268 Y HA 0.682 5.247 4.550 0.025 0.000 0.335 268 Y C -1.019 174.805 175.900 -0.126 0.000 1.155 268 Y CA -1.624 56.430 58.100 -0.076 0.000 1.046 268 Y CB 0.648 39.064 38.460 -0.073 0.000 1.303 268 Y HN 0.469 nan 8.280 nan 0.000 0.460 269 N N 3.556 122.173 118.700 -0.138 0.000 2.437 269 N HA 0.347 5.104 4.740 0.029 0.000 0.243 269 N C -2.069 173.287 175.510 -0.256 0.000 1.041 269 N CA -2.790 50.122 53.050 -0.230 0.000 0.940 269 N CB 1.190 39.632 38.487 -0.075 0.000 1.133 269 N HN 0.571 nan 8.380 nan 0.000 0.506 270 P HA 0.014 nan 4.420 nan 0.000 0.242 270 P C 0.061 177.324 177.300 -0.062 0.000 1.197 270 P CA 0.516 63.390 63.100 -0.376 0.000 0.765 270 P CB 0.520 31.787 31.700 -0.720 0.000 0.936 271 N N -0.338 118.362 118.700 -0.000 0.000 2.422 271 N HA 0.004 4.761 4.740 0.029 0.000 0.181 271 N C 0.469 176.021 175.510 0.069 0.000 1.080 271 N CA 0.373 53.485 53.050 0.104 0.000 0.893 271 N CB -0.121 38.438 38.487 0.119 0.000 0.973 271 N HN 0.161 nan 8.380 nan 0.000 0.456 272 N N 1.288 119.999 118.700 0.020 0.000 2.589 272 N HA 0.162 4.919 4.740 0.029 0.000 0.232 272 N C 0.307 175.814 175.510 -0.005 0.000 1.015 272 N CA -0.076 52.986 53.050 0.020 0.000 0.931 272 N CB 0.682 39.181 38.487 0.021 0.000 1.150 272 N HN 0.075 nan 8.380 nan 0.000 0.512 273 R N 0.933 121.435 120.500 0.003 0.000 2.323 273 R HA 0.095 4.452 4.340 0.029 0.000 0.198 273 R C 0.652 176.953 176.300 0.002 0.000 0.988 273 R CA 0.283 56.377 56.100 -0.008 0.000 1.041 273 R CB 0.311 30.627 30.300 0.026 0.000 0.926 273 R HN 0.337 nan 8.270 nan 0.000 0.476 274 R N 0.470 120.974 120.500 0.007 0.000 2.523 274 R HA 0.170 4.527 4.340 0.029 0.000 0.229 274 R C 0.738 177.041 176.300 0.004 0.000 1.265 274 R CA -0.787 55.320 56.100 0.011 0.000 1.081 274 R CB -0.179 30.131 30.300 0.015 0.000 1.540 274 R HN -0.060 nan 8.270 nan 0.000 0.560 275 N N -0.044 118.661 118.700 0.008 0.000 3.070 275 N HA -0.325 4.432 4.740 0.029 0.000 0.180 275 N C -0.359 175.149 175.510 -0.004 0.000 0.295 275 N CA 2.443 55.497 53.050 0.007 0.000 1.944 275 N CB -0.973 37.523 38.487 0.014 0.000 1.313 275 N HN 0.628 nan 8.380 nan 0.000 0.398 276 L N 0.016 121.226 121.223 -0.020 0.000 3.709 276 L HA -0.232 4.125 4.340 0.029 0.000 0.626 276 L C 0.072 176.911 176.870 -0.051 0.000 1.119 276 L CA 0.630 55.433 54.840 -0.062 0.000 0.996 276 L CB -1.094 40.926 42.059 -0.064 0.000 1.327 276 L HN 0.598 nan 8.230 nan 0.000 0.808 277 Q N 3.791 123.561 119.800 -0.050 0.000 2.307 277 Q HA 0.190 4.548 4.340 0.029 0.000 0.261 277 Q C -1.263 174.706 176.000 -0.051 0.000 1.051 277 Q CA -1.229 54.556 55.803 -0.029 0.000 0.911 277 Q CB 1.103 29.840 28.738 -0.001 0.000 1.227 277 Q HN 0.166 nan 8.270 nan 0.000 0.418 278 P HA -0.232 nan 4.420 nan 0.000 0.216 278 P C 0.342 177.632 177.300 -0.017 0.000 1.150 278 P CA 1.705 64.789 63.100 -0.026 0.000 0.843 278 P CB 0.183 31.879 31.700 -0.007 0.000 0.787 279 A N -0.033 122.786 122.820 -0.002 0.000 1.933 279 A HA -0.064 4.273 4.320 0.029 0.000 0.218 279 A C 2.303 179.909 177.584 0.037 0.000 1.175 279 A CA 1.933 53.978 52.037 0.013 0.000 0.628 279 A CB -1.511 17.500 19.000 0.017 0.000 0.814 279 A HN 0.212 nan 8.150 nan 0.000 0.444 280 A N -0.827 122.021 122.820 0.046 0.000 2.066 280 A HA 0.072 4.409 4.320 0.029 0.000 0.218 280 A C 2.026 179.743 177.584 0.223 0.000 1.157 280 A CA 1.350 53.468 52.037 0.134 0.000 0.670 280 A CB -0.470 18.603 19.000 0.121 0.000 0.804 280 A HN 0.525 nan 8.150 nan 0.000 0.453 281 M N -0.538 119.052 119.600 -0.015 0.000 2.561 281 M HA 0.091 4.588 4.480 0.029 0.000 0.238 281 M C 0.201 176.612 176.300 0.184 0.000 1.131 281 M CA 0.151 55.395 55.300 -0.094 0.000 1.046 281 M CB 0.108 32.492 32.600 -0.360 0.000 1.532 281 M HN 0.153 nan 8.290 nan 0.000 0.497 282 R N 2.226 122.773 120.500 0.078 0.000 2.370 282 R HA 0.063 4.420 4.340 0.029 0.000 0.309 282 R C 0.056 176.235 176.300 -0.202 0.000 1.059 282 R CA 0.035 56.127 56.100 -0.013 0.000 0.981 282 R CB -0.105 30.178 30.300 -0.028 0.000 0.972 282 R HN 0.287 nan 8.270 nan 0.000 0.437 283 N N 3.420 122.067 118.700 -0.088 0.000 2.739 283 N HA -0.015 4.742 4.740 0.029 0.000 0.266 283 N C 0.619 176.057 175.510 -0.120 0.000 1.168 283 N CA -0.269 52.687 53.050 -0.156 0.000 1.055 283 N CB 0.427 38.959 38.487 0.074 0.000 1.393 283 N HN 0.411 nan 8.380 nan 0.000 0.514 284 R N 1.618 122.013 120.500 -0.174 0.000 2.127 284 R HA -0.168 4.190 4.340 0.029 0.000 0.238 284 R C 2.074 178.374 176.300 -0.000 0.000 1.134 284 R CA 1.567 57.630 56.100 -0.062 0.000 0.975 284 R CB -0.177 30.089 30.300 -0.057 0.000 0.865 284 R HN 0.493 nan 8.270 nan 0.000 0.447 285 A N 0.464 123.277 122.820 -0.012 0.000 2.019 285 A HA -0.125 4.212 4.320 0.029 0.000 0.219 285 A C 1.973 179.564 177.584 0.012 0.000 1.164 285 A CA 1.376 53.431 52.037 0.028 0.000 0.644 285 A CB -0.196 18.810 19.000 0.010 0.000 0.805 285 A HN 0.240 nan 8.150 nan 0.000 0.449 286 M N -1.612 117.972 119.600 -0.027 0.000 2.538 286 M HA 0.259 4.756 4.480 0.029 0.000 0.259 286 M C 1.690 177.977 176.300 -0.021 0.000 1.217 286 M CA 0.510 55.776 55.300 -0.055 0.000 1.131 286 M CB 0.348 32.871 32.600 -0.130 0.000 1.382 286 M HN 0.591 nan 8.290 nan 0.000 0.520 287 I N -3.118 117.451 120.570 -0.001 0.000 4.139 287 I HA 0.314 4.501 4.170 0.029 0.000 0.335 287 I C -0.834 175.292 176.117 0.014 0.000 1.327 287 I CA -0.184 61.120 61.300 0.008 0.000 1.112 287 I CB 0.316 38.326 38.000 0.017 0.000 1.058 287 I HN -0.154 nan 8.210 nan 0.000 0.396 288 D N 2.804 123.225 120.400 0.036 0.000 2.256 288 D HA 0.412 5.069 4.640 0.029 0.000 0.240 288 D C -0.130 176.227 176.300 0.096 0.000 1.062 288 D CA -0.095 53.946 54.000 0.067 0.000 0.832 288 D CB 2.475 43.328 40.800 0.088 0.000 1.135 288 D HN 0.148 nan 8.370 nan 0.000 0.484 289 V N 0.226 120.171 119.914 0.051 0.000 2.716 289 V HA 0.886 5.023 4.120 0.029 0.000 0.304 289 V C -0.431 175.709 176.094 0.077 0.000 1.053 289 V CA -0.646 61.633 62.300 -0.034 0.000 0.984 289 V CB 0.908 32.679 31.823 -0.087 0.000 1.021 289 V HN 0.436 nan 8.190 nan 0.000 0.467 290 F N -0.493 119.454 119.950 -0.006 0.000 2.662 290 F HA 0.707 5.260 4.527 0.044 0.000 0.312 290 F C -0.569 175.232 175.800 0.001 0.000 1.113 290 F CA -1.207 56.793 58.000 -0.000 0.000 0.951 290 F CB 1.377 40.385 39.000 0.013 0.000 1.344 290 F HN 0.551 nan 8.300 nan 0.000 0.462 291 E N 2.976 123.302 120.200 0.210 0.000 2.223 291 E HA 0.192 4.559 4.350 0.029 0.000 0.282 291 E C -1.893 174.881 176.600 0.291 0.000 1.046 291 E CA -1.658 54.814 56.400 0.120 0.000 0.857 291 E CB 1.354 31.092 29.700 0.064 0.000 1.055 291 E HN 0.427 nan 8.360 nan 0.000 0.409 292 P HA -0.024 nan 4.420 nan 0.000 0.235 292 P C 0.940 178.387 177.300 0.245 0.000 1.177 292 P CA 0.758 64.036 63.100 0.296 0.000 0.785 292 P CB 0.445 32.250 31.700 0.176 0.000 0.885 293 G N 1.174 110.106 108.800 0.221 0.000 2.634 293 G HA2 -0.372 3.606 3.960 0.029 0.000 0.309 293 G HA3 -0.372 3.606 3.960 0.029 0.000 0.309 293 G C 1.271 176.292 174.900 0.203 0.000 1.265 293 G CA 0.862 46.106 45.100 0.240 0.000 0.998 293 G HN 0.220 nan 8.290 nan 0.000 0.551 294 S N 0.809 116.601 115.700 0.153 0.000 2.465 294 S HA -0.106 4.381 4.470 0.029 0.000 0.241 294 S C 2.537 177.182 174.600 0.075 0.000 1.000 294 S CA 2.519 60.774 58.200 0.091 0.000 0.964 294 S CB -0.613 62.598 63.200 0.019 0.000 0.763 294 S HN 1.573 nan 8.310 nan 0.000 0.512 295 T N 0.136 114.753 114.554 0.105 0.000 3.051 295 T HA -0.029 4.338 4.350 0.029 0.000 0.269 295 T C 1.663 176.530 174.700 0.279 0.000 1.127 295 T CA 0.994 63.181 62.100 0.145 0.000 1.107 295 T CB -0.611 68.321 68.868 0.107 0.000 0.898 295 T HN 0.403 nan 8.240 nan 0.000 0.517 296 V N -1.621 118.435 119.914 0.237 0.000 3.506 296 V HA 0.298 4.436 4.120 0.029 0.000 0.263 296 V C 2.204 178.386 176.094 0.148 0.000 1.203 296 V CA 0.144 62.633 62.300 0.314 0.000 1.133 296 V CB -0.622 31.349 31.823 0.248 0.000 0.802 296 V HN 0.298 nan 8.190 nan 0.000 0.459 297 K N 1.242 121.667 120.400 0.042 0.000 2.152 297 K HA -0.075 4.263 4.320 0.029 0.000 0.206 297 K C -0.279 176.223 176.600 -0.162 0.000 1.048 297 K CA 1.963 58.225 56.287 -0.042 0.000 0.933 297 K CB -1.312 31.163 32.500 -0.041 0.000 0.721 297 K HN 0.491 nan 8.250 nan 0.000 0.447 298 P HA -0.119 nan 4.420 nan 0.000 0.222 298 P C 0.714 177.644 177.300 -0.617 0.000 1.147 298 P CA 1.085 63.880 63.100 -0.507 0.000 0.790 298 P CB 0.036 31.312 31.700 -0.707 0.000 0.780 299 F N -0.762 119.105 119.950 -0.138 0.000 2.270 299 F HA -0.026 4.517 4.527 0.027 0.000 0.295 299 F C 2.397 178.123 175.800 -0.124 0.000 1.087 299 F CA 0.998 58.914 58.000 -0.140 0.000 1.365 299 F CB -1.436 37.478 39.000 -0.142 0.000 1.056 299 F HN -0.174 nan 8.300 nan 0.000 0.506 300 S N 0.179 115.879 115.700 -0.000 0.000 2.368 300 S HA -0.245 4.243 4.470 0.029 0.000 0.225 300 S C 2.017 176.542 174.600 -0.125 0.000 1.030 300 S CA 1.514 59.672 58.200 -0.071 0.000 0.999 300 S CB -0.432 62.714 63.200 -0.091 0.000 0.844 300 S HN 0.266 nan 8.310 nan 0.000 0.459 301 M N 1.831 121.340 119.600 -0.150 0.000 2.175 301 M HA 0.020 4.518 4.480 0.029 0.000 0.264 301 M C 2.051 178.284 176.300 -0.112 0.000 1.063 301 M CA 1.216 56.420 55.300 -0.160 0.000 1.119 301 M CB -0.754 31.748 32.600 -0.164 0.000 1.377 301 M HN 0.116 nan 8.290 nan 0.000 0.415 302 S N 0.232 115.871 115.700 -0.102 0.000 2.368 302 S HA -0.081 4.407 4.470 0.029 0.000 0.225 302 S C 2.026 176.611 174.600 -0.025 0.000 1.030 302 S CA 1.233 59.400 58.200 -0.056 0.000 0.999 302 S CB -0.685 62.496 63.200 -0.031 0.000 0.844 302 S HN 0.664 nan 8.310 nan 0.000 0.459 303 A N 1.523 124.326 122.820 -0.029 0.000 1.902 303 A HA 0.101 4.438 4.320 0.029 0.000 0.217 303 A C 2.344 179.922 177.584 -0.010 0.000 1.181 303 A CA 1.701 53.726 52.037 -0.021 0.000 0.623 303 A CB -1.049 17.927 19.000 -0.041 0.000 0.818 303 A HN 0.512 nan 8.150 nan 0.000 0.443 304 A N -0.108 122.680 122.820 -0.054 0.000 1.877 304 A HA -0.050 4.287 4.320 0.029 0.000 0.216 304 A C 2.145 179.808 177.584 0.131 0.000 1.186 304 A CA 1.534 53.553 52.037 -0.029 0.000 0.620 304 A CB -0.635 18.184 19.000 -0.302 0.000 0.822 304 A HN 0.478 nan 8.150 nan 0.000 0.443 305 L N -0.953 120.312 121.223 0.070 0.000 2.141 305 L HA -0.124 4.233 4.340 0.029 0.000 0.209 305 L C 2.878 179.789 176.870 0.069 0.000 1.094 305 L CA 0.914 55.806 54.840 0.087 0.000 0.763 305 L CB -0.461 41.622 42.059 0.039 0.000 0.908 305 L HN 0.428 nan 8.230 nan 0.000 0.437 306 A N -0.131 122.717 122.820 0.047 0.000 2.119 306 A HA -0.105 4.232 4.320 0.029 0.000 0.216 306 A C 2.463 180.076 177.584 0.048 0.000 1.152 306 A CA 1.204 53.263 52.037 0.036 0.000 0.708 306 A CB -0.388 18.624 19.000 0.020 0.000 0.805 306 A HN 0.482 nan 8.150 nan 0.000 0.460 307 S N -1.531 114.217 115.700 0.079 0.000 2.453 307 S HA 0.266 4.753 4.470 0.029 0.000 0.231 307 S C 1.649 176.288 174.600 0.065 0.000 1.005 307 S CA 1.367 59.619 58.200 0.086 0.000 0.949 307 S CB -0.451 62.837 63.200 0.147 0.000 0.774 307 S HN 1.842 nan 8.310 nan 0.000 0.510 308 G N 1.433 110.270 108.800 0.061 0.000 2.176 308 G HA2 -0.272 3.705 3.960 0.029 0.000 0.253 308 G HA3 -0.272 3.705 3.960 0.029 0.000 0.253 308 G C 0.936 175.829 174.900 -0.012 0.000 0.979 308 G CA 0.310 45.423 45.100 0.023 0.000 0.641 308 G HN 0.558 nan 8.290 nan 0.000 0.530 309 R N -1.550 118.947 120.500 -0.004 0.000 2.308 309 R HA 0.314 4.671 4.340 0.029 0.000 0.202 309 R C 0.092 176.087 176.300 -0.509 0.000 0.898 309 R CA 0.250 56.224 56.100 -0.209 0.000 1.046 309 R CB 0.358 30.554 30.300 -0.174 0.000 1.026 309 R HN 0.408 nan 8.270 nan 0.000 0.512 310 W N 1.675 122.969 121.300 -0.010 0.000 2.915 310 W HA 0.344 5.023 4.660 0.031 0.000 0.337 310 W C -0.544 175.967 176.519 -0.014 0.000 1.102 310 W CA -0.853 56.485 57.345 -0.013 0.000 1.224 310 W CB 1.316 30.766 29.460 -0.018 0.000 1.416 310 W HN -0.230 nan 8.180 nan 0.000 0.503 311 K N 1.237 121.759 120.400 0.203 0.000 2.443 311 K HA 0.615 4.953 4.320 0.029 0.000 0.251 311 K C -2.553 174.129 176.600 0.137 0.000 0.972 311 K CA -1.786 54.575 56.287 0.123 0.000 0.833 311 K CB 2.616 35.148 32.500 0.053 0.000 1.317 311 K HN -0.044 nan 8.250 nan 0.000 0.441 312 P HA -0.222 nan 4.420 nan 0.000 0.218 312 P C 1.091 178.431 177.300 0.067 0.000 1.148 312 P CA 1.532 64.671 63.100 0.065 0.000 0.822 312 P CB 0.124 31.845 31.700 0.034 0.000 0.784 313 S N -2.545 113.191 115.700 0.059 0.000 2.561 313 S HA -0.017 4.471 4.470 0.029 0.000 0.225 313 S C 0.771 175.411 174.600 0.067 0.000 0.977 313 S CA 0.032 58.262 58.200 0.049 0.000 0.926 313 S CB -0.910 62.307 63.200 0.029 0.000 0.769 313 S HN 0.013 nan 8.310 nan 0.000 0.533 314 D N 1.667 122.133 120.400 0.111 0.000 2.378 314 D HA 0.247 4.904 4.640 0.029 0.000 0.238 314 D C 0.025 176.431 176.300 0.176 0.000 1.180 314 D CA 0.198 54.286 54.000 0.145 0.000 0.895 314 D CB 0.515 41.459 40.800 0.239 0.000 1.192 314 D HN 0.168 nan 8.370 nan 0.000 0.438 315 I N 1.172 121.841 120.570 0.165 0.000 2.603 315 I HA 0.306 4.494 4.170 0.029 0.000 0.300 315 I C -0.087 176.149 176.117 0.199 0.000 1.017 315 I CA -0.759 60.624 61.300 0.140 0.000 1.098 315 I CB 1.862 39.909 38.000 0.079 0.000 1.279 315 I HN -0.007 nan 8.210 nan 0.000 0.437 316 V N 3.797 123.796 119.914 0.143 0.000 2.588 316 V HA 0.286 4.423 4.120 0.029 0.000 0.304 316 V C -0.459 175.688 176.094 0.089 0.000 1.042 316 V CA -0.794 61.587 62.300 0.135 0.000 0.877 316 V CB 2.312 34.176 31.823 0.067 0.000 0.996 316 V HN 0.633 nan 8.190 nan 0.000 0.425 317 D N 3.218 123.676 120.400 0.097 0.000 2.339 317 D HA 0.220 4.877 4.640 0.029 0.000 0.241 317 D C 0.664 177.024 176.300 0.100 0.000 1.183 317 D CA -0.093 53.963 54.000 0.093 0.000 0.859 317 D CB 1.881 42.738 40.800 0.095 0.000 1.067 317 D HN 0.446 nan 8.370 nan 0.000 0.484 318 V N 3.220 123.189 119.914 0.093 0.000 3.621 318 V HA 0.258 4.395 4.120 0.029 0.000 0.285 318 V C 0.621 176.770 176.094 0.091 0.000 1.346 318 V CA -0.551 61.789 62.300 0.067 0.000 1.104 318 V CB -1.377 30.457 31.823 0.018 0.000 0.913 318 V HN 0.430 nan 8.190 nan 0.000 0.432 319 Y N 4.059 124.365 120.300 0.010 0.000 2.497 319 Y HA 0.441 5.009 4.550 0.029 0.000 0.334 319 Y C -1.480 174.428 175.900 0.013 0.000 1.199 319 Y CA -1.506 56.600 58.100 0.009 0.000 1.425 319 Y CB 1.233 39.699 38.460 0.011 0.000 1.291 319 Y HN 0.169 nan 8.280 nan 0.000 0.562 320 P HA 0.234 nan 4.420 nan 0.000 0.248 320 P C 0.299 177.396 177.300 -0.337 0.000 1.708 320 P CA 0.730 63.294 63.100 -0.893 0.000 1.062 320 P CB 0.127 31.202 31.700 -1.041 0.000 1.562 321 G N -0.020 108.678 108.800 -0.170 0.000 2.157 321 G HA2 -0.186 3.792 3.960 0.029 0.000 0.248 321 G HA3 -0.186 3.792 3.960 0.029 0.000 0.248 321 G C 0.139 174.978 174.900 -0.102 0.000 0.979 321 G CA 0.281 45.317 45.100 -0.107 0.000 0.650 321 G HN 0.716 nan 8.290 nan 0.000 0.529 322 T N -2.593 111.900 114.554 -0.102 0.000 2.883 322 T HA 0.757 5.125 4.350 0.029 0.000 0.301 322 T C -1.235 173.443 174.700 -0.036 0.000 1.158 322 T CA -0.650 61.404 62.100 -0.077 0.000 1.007 322 T CB 2.743 71.559 68.868 -0.087 0.000 1.186 322 T HN 1.385 nan 8.240 nan 0.000 0.499 323 L N 1.095 122.319 121.223 0.001 0.000 2.528 323 L HA 0.505 4.862 4.340 0.029 0.000 0.267 323 L C -0.671 176.247 176.870 0.079 0.000 0.961 323 L CA -0.372 54.506 54.840 0.062 0.000 0.866 323 L CB 2.167 44.303 42.059 0.128 0.000 1.248 323 L HN 0.955 nan 8.230 nan 0.000 0.404 324 Q N 4.661 124.499 119.800 0.063 0.000 2.279 324 Q HA 0.514 4.871 4.340 0.029 0.000 0.256 324 Q C -1.152 174.904 176.000 0.093 0.000 0.937 324 Q CA -0.452 55.388 55.803 0.061 0.000 0.933 324 Q CB 0.993 29.749 28.738 0.029 0.000 1.189 324 Q HN 0.591 nan 8.270 nan 0.000 0.417 325 I N 5.004 125.655 120.570 0.136 0.000 2.595 325 I HA 0.279 4.466 4.170 0.029 0.000 0.275 325 I C 0.872 177.055 176.117 0.111 0.000 1.092 325 I CA 0.244 61.615 61.300 0.118 0.000 1.145 325 I CB -0.099 38.017 38.000 0.193 0.000 1.276 325 I HN 0.968 nan 8.210 nan 0.000 0.497 326 G N 6.300 115.135 108.800 0.058 0.000 2.561 326 G HA2 -0.346 3.632 3.960 0.029 0.000 0.289 326 G HA3 -0.346 3.632 3.960 0.029 0.000 0.289 326 G C 1.081 176.022 174.900 0.068 0.000 1.169 326 G CA 0.385 45.516 45.100 0.052 0.000 0.980 326 G HN 0.535 nan 8.290 nan 0.000 0.550 327 R N -0.424 120.127 120.500 0.084 0.000 2.299 327 R HA 0.163 4.521 4.340 0.029 0.000 0.197 327 R C 0.520 176.886 176.300 0.108 0.000 0.971 327 R CA 0.247 56.395 56.100 0.079 0.000 1.030 327 R CB -0.133 30.210 30.300 0.073 0.000 0.932 327 R HN 0.468 nan 8.270 nan 0.000 0.477 328 Y N 0.179 120.491 120.300 0.021 0.000 2.308 328 Y HA 0.167 4.733 4.550 0.028 0.000 0.329 328 Y C -0.722 175.196 175.900 0.030 0.000 1.111 328 Y CA 0.111 58.226 58.100 0.025 0.000 1.179 328 Y CB 1.485 39.967 38.460 0.036 0.000 1.201 328 Y HN -0.228 nan 8.280 nan 0.000 0.483 329 T N 7.721 121.992 114.554 -0.472 0.000 2.791 329 T HA 0.448 4.815 4.350 0.029 0.000 0.288 329 T C -0.333 174.133 174.700 -0.389 0.000 0.999 329 T CA -0.499 61.431 62.100 -0.283 0.000 0.952 329 T CB 0.182 68.934 68.868 -0.193 0.000 0.938 329 T HN 0.463 nan 8.240 nan 0.000 0.444 330 I N 3.869 124.392 120.570 -0.078 0.000 2.474 330 I HA 0.414 4.602 4.170 0.029 0.000 0.287 330 I C 0.630 176.683 176.117 -0.105 0.000 1.048 330 I CA -0.295 61.001 61.300 -0.006 0.000 1.383 330 I CB 0.621 38.726 38.000 0.176 0.000 1.412 330 I HN 0.357 nan 8.210 nan 0.000 0.531 331 R N 4.028 124.428 120.500 -0.167 0.000 2.673 331 R HA 0.461 4.818 4.340 0.029 0.000 0.281 331 R C -1.585 174.615 176.300 -0.166 0.000 0.991 331 R CA -1.037 54.977 56.100 -0.144 0.000 0.896 331 R CB 1.944 32.172 30.300 -0.121 0.000 1.201 331 R HN 0.426 nan 8.270 nan 0.000 0.457 332 D N 0.772 121.093 120.400 -0.132 0.000 2.229 332 D HA 0.148 4.806 4.640 0.029 0.000 0.249 332 D C 1.015 177.258 176.300 -0.094 0.000 1.027 332 D CA -0.541 53.380 54.000 -0.130 0.000 0.923 332 D CB 2.145 42.880 40.800 -0.109 0.000 1.174 332 D HN 0.100 nan 8.370 nan 0.000 0.443 333 V N 0.372 120.226 119.914 -0.101 0.000 2.323 333 V HA -0.090 4.047 4.120 0.029 0.000 0.244 333 V C 1.196 177.267 176.094 -0.038 0.000 1.041 333 V CA 1.230 63.495 62.300 -0.059 0.000 1.025 333 V CB 0.014 31.770 31.823 -0.111 0.000 0.656 333 V HN 0.440 nan 8.190 nan 0.000 0.451 334 S N 0.125 115.789 115.700 -0.059 0.000 2.430 334 S HA 0.365 4.852 4.470 0.029 0.000 0.289 334 S C 0.444 175.024 174.600 -0.034 0.000 1.143 334 S CA -0.560 57.620 58.200 -0.034 0.000 1.067 334 S CB 0.096 63.274 63.200 -0.037 0.000 0.964 334 S HN 0.430 nan 8.310 nan 0.000 0.485 335 R N 3.858 124.344 120.500 -0.023 0.000 2.865 335 R HA 0.294 4.651 4.340 0.029 0.000 0.370 335 R C -0.527 175.771 176.300 -0.005 0.000 1.168 335 R CA -0.240 55.841 56.100 -0.032 0.000 1.058 335 R CB 0.048 30.314 30.300 -0.057 0.000 1.419 335 R HN 0.397 nan 8.270 nan 0.000 0.580 336 N N 0.142 118.852 118.700 0.017 0.000 2.480 336 N HA 0.146 4.903 4.740 0.029 0.000 0.281 336 N C -0.993 174.551 175.510 0.057 0.000 1.381 336 N CA 0.015 53.092 53.050 0.045 0.000 0.903 336 N CB 1.386 39.892 38.487 0.033 0.000 1.274 336 N HN -0.005 nan 8.380 nan 0.000 0.505 337 S N -0.492 115.249 115.700 0.068 0.000 2.566 337 S HA 0.543 5.031 4.470 0.029 0.000 0.298 337 S C 0.841 175.519 174.600 0.131 0.000 1.083 337 S CA -0.672 57.570 58.200 0.071 0.000 0.978 337 S CB 3.225 66.446 63.200 0.035 0.000 1.073 337 S HN 0.338 nan 8.310 nan 0.000 0.491 338 R N 0.775 121.335 120.500 0.100 0.000 2.712 338 R HA 0.303 4.660 4.340 0.029 0.000 0.132 338 R C -0.593 175.749 176.300 0.070 0.000 1.923 338 R CA -0.154 56.012 56.100 0.110 0.000 1.539 338 R CB -0.131 30.183 30.300 0.024 0.000 1.362 338 R HN 0.635 nan 8.270 nan 0.000 0.472 339 Q N 1.419 121.243 119.800 0.041 0.000 2.286 339 Q HA 0.374 4.731 4.340 0.029 0.000 0.257 339 Q C -1.054 174.966 176.000 0.034 0.000 0.941 339 Q CA 0.054 55.881 55.803 0.039 0.000 0.912 339 Q CB 1.672 30.428 28.738 0.029 0.000 1.192 339 Q HN 0.313 nan 8.270 nan 0.000 0.410 340 L N 2.574 123.818 121.223 0.035 0.000 2.381 340 L HA 0.364 4.721 4.340 0.029 0.000 0.268 340 L C -0.362 176.526 176.870 0.030 0.000 0.997 340 L CA -1.127 53.726 54.840 0.022 0.000 0.818 340 L CB 1.876 43.938 42.059 0.004 0.000 1.310 340 L HN 0.710 nan 8.230 nan 0.000 0.416 341 D N 1.845 122.261 120.400 0.026 0.000 2.411 341 D HA 0.175 4.832 4.640 0.029 0.000 0.251 341 D C 1.073 177.384 176.300 0.018 0.000 1.201 341 D CA -0.539 53.483 54.000 0.038 0.000 0.996 341 D CB 0.903 41.724 40.800 0.035 0.000 1.101 341 D HN 0.350 nan 8.370 nan 0.000 0.504 342 L N -0.681 120.558 121.223 0.027 0.000 2.079 342 L HA -0.172 4.185 4.340 0.029 0.000 0.210 342 L C 2.254 179.103 176.870 -0.036 0.000 1.081 342 L CA 1.651 56.480 54.840 -0.019 0.000 0.752 342 L CB -1.005 41.050 42.059 -0.006 0.000 0.896 342 L HN 0.496 nan 8.230 nan 0.000 0.433 343 T N -0.037 114.507 114.554 -0.018 0.000 2.746 343 T HA -0.127 4.241 4.350 0.029 0.000 0.267 343 T C 1.911 176.595 174.700 -0.028 0.000 1.039 343 T CA 1.339 63.424 62.100 -0.024 0.000 1.142 343 T CB -0.590 68.271 68.868 -0.012 0.000 0.866 343 T HN 0.564 nan 8.240 nan 0.000 0.444 344 G N 1.310 110.099 108.800 -0.019 0.000 2.442 344 G HA2 -0.151 3.826 3.960 0.029 0.000 0.219 344 G HA3 -0.151 3.826 3.960 0.029 0.000 0.219 344 G C 1.523 176.401 174.900 -0.036 0.000 1.141 344 G CA 0.475 45.563 45.100 -0.020 0.000 0.763 344 G HN 0.496 nan 8.290 nan 0.000 0.554 345 I N 0.288 120.829 120.570 -0.048 0.000 2.208 345 I HA -0.154 4.033 4.170 0.029 0.000 0.245 345 I C 2.654 178.724 176.117 -0.078 0.000 1.097 345 I CA 0.778 62.036 61.300 -0.070 0.000 1.363 345 I CB -0.128 37.815 38.000 -0.094 0.000 1.051 345 I HN 0.152 nan 8.210 nan 0.000 0.413 346 L N -0.037 121.141 121.223 -0.074 0.000 2.072 346 L HA -0.155 4.202 4.340 0.029 0.000 0.205 346 L C 2.485 179.315 176.870 -0.065 0.000 1.079 346 L CA 1.183 55.977 54.840 -0.077 0.000 0.752 346 L CB -0.404 41.607 42.059 -0.080 0.000 0.906 346 L HN 0.180 nan 8.230 nan 0.000 0.436 347 I N -0.048 120.492 120.570 -0.049 0.000 2.127 347 I HA -0.291 3.897 4.170 0.029 0.000 0.241 347 I C 2.336 178.424 176.117 -0.049 0.000 1.075 347 I CA 1.459 62.738 61.300 -0.036 0.000 1.334 347 I CB -0.231 37.758 38.000 -0.018 0.000 1.040 347 I HN 0.176 nan 8.210 nan 0.000 0.405 348 K N 0.219 120.586 120.400 -0.056 0.000 2.459 348 K HA 0.073 4.410 4.320 0.029 0.000 0.193 348 K C 0.842 177.379 176.600 -0.105 0.000 1.030 348 K CA 0.273 56.518 56.287 -0.071 0.000 1.026 348 K CB 0.194 32.661 32.500 -0.055 0.000 0.809 348 K HN 0.170 nan 8.250 nan 0.000 0.504 349 S N 1.761 117.399 115.700 -0.104 0.000 3.524 349 S HA -0.154 4.333 4.470 0.029 0.000 0.377 349 S C -0.067 174.453 174.600 -0.133 0.000 0.949 349 S CA 0.367 58.497 58.200 -0.118 0.000 1.264 349 S CB -1.225 61.892 63.200 -0.138 0.000 0.918 349 S HN 0.435 nan 8.310 nan 0.000 0.517 350 S N 1.416 117.046 115.700 -0.117 0.000 2.422 350 S HA 0.335 4.822 4.470 0.029 0.000 0.283 350 S C 1.347 175.853 174.600 -0.156 0.000 1.163 350 S CA -0.616 57.508 58.200 -0.128 0.000 1.054 350 S CB 0.348 63.491 63.200 -0.095 0.000 0.967 350 S HN 0.609 nan 8.310 nan 0.000 0.499 351 N N 4.270 122.828 118.700 -0.236 0.000 2.188 351 N HA -0.095 4.662 4.740 0.029 0.000 0.184 351 N C 1.774 177.153 175.510 -0.218 0.000 1.018 351 N CA 0.999 53.827 53.050 -0.371 0.000 0.858 351 N CB -0.536 37.486 38.487 -0.775 0.000 0.989 351 N HN 0.480 nan 8.380 nan 0.000 0.426 352 V N 0.915 120.732 119.914 -0.162 0.000 2.295 352 V HA -0.165 3.972 4.120 0.029 0.000 0.246 352 V C 2.436 178.476 176.094 -0.090 0.000 1.049 352 V CA 2.095 64.345 62.300 -0.083 0.000 1.024 352 V CB -1.250 30.542 31.823 -0.052 0.000 0.648 352 V HN 0.346 nan 8.190 nan 0.000 0.447 353 G N -0.411 108.330 108.800 -0.098 0.000 2.421 353 G HA2 -0.256 3.721 3.960 0.029 0.000 0.216 353 G HA3 -0.256 3.721 3.960 0.029 0.000 0.216 353 G C 1.575 176.367 174.900 -0.181 0.000 1.171 353 G CA 1.054 46.087 45.100 -0.112 0.000 0.775 353 G HN 0.454 nan 8.290 nan 0.000 0.543 354 I N 1.053 121.524 120.570 -0.165 0.000 2.394 354 I HA -0.046 4.141 4.170 0.029 0.000 0.251 354 I C 2.799 178.767 176.117 -0.248 0.000 1.136 354 I CA 1.101 62.285 61.300 -0.193 0.000 1.425 354 I CB -0.039 37.898 38.000 -0.106 0.000 1.079 354 I HN 0.080 nan 8.210 nan 0.000 0.425 355 S N 0.309 115.871 115.700 -0.231 0.000 2.368 355 S HA -0.167 4.321 4.470 0.029 0.000 0.224 355 S C 1.965 176.010 174.600 -0.924 0.000 1.029 355 S CA 1.143 59.044 58.200 -0.498 0.000 0.988 355 S CB -0.254 62.770 63.200 -0.292 0.000 0.838 355 S HN 0.427 nan 8.310 nan 0.000 0.462 356 K N 0.800 120.904 120.400 -0.494 0.000 2.097 356 K HA -0.006 4.332 4.320 0.029 0.000 0.206 356 K C 1.960 178.441 176.600 -0.199 0.000 1.049 356 K CA 1.127 57.271 56.287 -0.237 0.000 0.933 356 K CB -0.355 32.141 32.500 -0.005 0.000 0.717 356 K HN 0.350 nan 8.250 nan 0.000 0.442 357 I N 0.914 121.263 120.570 -0.368 0.000 2.252 357 I HA -0.258 3.929 4.170 0.029 0.000 0.245 357 I C 2.510 178.437 176.117 -0.317 0.000 1.102 357 I CA 1.001 61.971 61.300 -0.549 0.000 1.385 357 I CB -0.357 37.109 38.000 -0.889 0.000 1.064 357 I HN 0.127 nan 8.210 nan 0.000 0.414 358 A N 0.865 123.478 122.820 -0.345 0.000 1.902 358 A HA -0.194 4.143 4.320 0.029 0.000 0.217 358 A C 2.206 179.745 177.584 -0.074 0.000 1.181 358 A CA 1.448 53.334 52.037 -0.251 0.000 0.623 358 A CB -1.108 17.701 19.000 -0.318 0.000 0.818 358 A HN 0.399 nan 8.150 nan 0.000 0.443 359 F N -0.265 119.679 119.950 -0.010 0.000 2.171 359 F HA -0.209 4.336 4.527 0.029 0.000 0.300 359 F C 2.229 178.064 175.800 0.058 0.000 1.090 359 F CA 1.176 59.190 58.000 0.023 0.000 1.293 359 F CB -0.290 38.737 39.000 0.044 0.000 1.013 359 F HN 0.354 nan 8.300 nan 0.000 0.486 360 D N 1.098 121.666 120.400 0.280 0.000 2.117 360 D HA -0.173 4.484 4.640 0.029 0.000 0.198 360 D C 1.987 178.430 176.300 0.238 0.000 0.982 360 D CA 1.472 55.650 54.000 0.296 0.000 0.828 360 D CB -0.140 40.962 40.800 0.502 0.000 0.967 360 D HN 0.426 nan 8.370 nan 0.000 0.464 361 I N -3.458 117.228 120.570 0.192 0.000 3.228 361 I HA 0.353 4.540 4.170 0.029 0.000 0.279 361 I C 0.870 177.020 176.117 0.055 0.000 1.221 361 I CA 0.359 61.741 61.300 0.136 0.000 1.458 361 I CB -0.157 37.912 38.000 0.114 0.000 1.105 361 I HN 0.106 nan 8.210 nan 0.000 0.445 362 G N 1.020 109.837 108.800 0.029 0.000 2.785 362 G HA2 -0.017 3.960 3.960 0.029 0.000 0.686 362 G HA3 -0.017 3.960 3.960 0.029 0.000 0.686 362 G C 0.356 175.156 174.900 -0.166 0.000 1.155 362 G CA -0.319 44.764 45.100 -0.028 0.000 0.760 362 G HN 0.548 nan 8.290 nan 0.000 0.624 363 A N 0.850 123.464 122.820 -0.345 0.000 2.015 363 A HA 0.162 4.500 4.320 0.029 0.000 0.219 363 A C 2.050 179.207 177.584 -0.711 0.000 1.163 363 A CA 2.251 53.844 52.037 -0.742 0.000 0.646 363 A CB -0.328 17.803 19.000 -1.447 0.000 0.806 363 A HN 0.927 nan 8.150 nan 0.000 0.448 364 E N 0.710 120.647 120.200 -0.438 0.000 2.097 364 E HA -0.195 4.173 4.350 0.029 0.000 0.196 364 E C 2.378 178.963 176.600 -0.025 0.000 1.000 364 E CA 1.833 58.164 56.400 -0.116 0.000 0.804 364 E CB -0.336 29.378 29.700 0.023 0.000 0.740 364 E HN 0.805 nan 8.360 nan 0.000 0.454 365 S N 0.205 115.870 115.700 -0.059 0.000 2.383 365 S HA -0.120 4.368 4.470 0.029 0.000 0.227 365 S C 2.096 176.672 174.600 -0.039 0.000 1.026 365 S CA 0.898 59.084 58.200 -0.023 0.000 0.981 365 S CB -0.450 62.739 63.200 -0.018 0.000 0.818 365 S HN 0.193 nan 8.310 nan 0.000 0.472 366 I N 0.220 120.731 120.570 -0.098 0.000 2.202 366 I HA -0.106 4.082 4.170 0.029 0.000 0.242 366 I C 2.562 178.634 176.117 -0.076 0.000 1.091 366 I CA 1.695 62.934 61.300 -0.101 0.000 1.368 366 I CB -0.549 37.352 38.000 -0.165 0.000 1.058 366 I HN 0.284 nan 8.210 nan 0.000 0.410 367 Y N 1.319 121.505 120.300 -0.189 0.000 2.165 367 Y HA -0.358 4.210 4.550 0.029 0.000 0.286 367 Y C 2.932 178.813 175.900 -0.032 0.000 1.155 367 Y CA 2.045 60.100 58.100 -0.075 0.000 1.164 367 Y CB -0.344 38.130 38.460 0.023 0.000 0.978 367 Y HN 0.120 nan 8.280 nan 0.000 0.513 368 S N -0.878 114.863 115.700 0.068 0.000 2.368 368 S HA -0.173 4.314 4.470 0.029 0.000 0.225 368 S C 1.998 176.534 174.600 -0.107 0.000 1.030 368 S CA 1.627 59.833 58.200 0.009 0.000 0.999 368 S CB -0.886 62.360 63.200 0.076 0.000 0.844 368 S HN 0.320 nan 8.310 nan 0.000 0.459 369 V N 2.226 122.085 119.914 -0.091 0.000 2.261 369 V HA -0.180 3.957 4.120 0.029 0.000 0.246 369 V C 2.555 178.522 176.094 -0.211 0.000 1.047 369 V CA 2.275 64.517 62.300 -0.097 0.000 1.015 369 V CB -0.693 31.120 31.823 -0.015 0.000 0.642 369 V HN 0.533 nan 8.190 nan 0.000 0.446 370 M N -0.681 118.765 119.600 -0.257 0.000 2.159 370 M HA -0.218 4.280 4.480 0.029 0.000 0.263 370 M C 2.377 178.434 176.300 -0.406 0.000 1.063 370 M CA 1.732 56.808 55.300 -0.373 0.000 1.110 370 M CB -0.538 31.889 32.600 -0.288 0.000 1.374 370 M HN 0.342 nan 8.290 nan 0.000 0.411 371 Q N 0.949 120.474 119.800 -0.459 0.000 2.050 371 Q HA -0.200 4.157 4.340 0.029 0.000 0.202 371 Q C 1.819 177.670 176.000 -0.247 0.000 0.980 371 Q CA 1.773 57.338 55.803 -0.397 0.000 0.840 371 Q CB -0.181 28.267 28.738 -0.483 0.000 0.898 371 Q HN 0.614 nan 8.270 nan 0.000 0.424 372 Q N -0.102 119.570 119.800 -0.213 0.000 2.167 372 Q HA -0.106 4.252 4.340 0.029 0.000 0.202 372 Q C 2.016 177.898 176.000 -0.198 0.000 0.970 372 Q CA 1.613 57.322 55.803 -0.157 0.000 0.855 372 Q CB 0.015 28.684 28.738 -0.115 0.000 0.911 372 Q HN 0.425 nan 8.270 nan 0.000 0.438 373 V N -3.967 115.771 119.914 -0.293 0.000 3.461 373 V HA 0.321 4.458 4.120 0.029 0.000 0.267 373 V C 1.124 177.012 176.094 -0.342 0.000 1.186 373 V CA 0.984 63.058 62.300 -0.377 0.000 1.154 373 V CB -0.109 31.375 31.823 -0.565 0.000 0.802 373 V HN 0.403 nan 8.190 nan 0.000 0.474 374 G N 0.289 108.940 108.800 -0.249 0.000 2.159 374 G HA2 -0.198 3.780 3.960 0.029 0.000 0.227 374 G HA3 -0.198 3.780 3.960 0.029 0.000 0.227 374 G C -0.098 174.716 174.900 -0.143 0.000 0.986 374 G CA 0.021 45.040 45.100 -0.134 0.000 0.651 374 G HN 0.555 nan 8.290 nan 0.000 0.523 375 L N 0.720 121.806 121.223 -0.229 0.000 2.534 375 L HA 0.412 4.769 4.340 0.029 0.000 0.271 375 L C 1.791 178.564 176.870 -0.161 0.000 1.178 375 L CA 1.101 55.821 54.840 -0.201 0.000 0.907 375 L CB 0.432 42.344 42.059 -0.244 0.000 1.164 375 L HN 1.035 nan 8.230 nan 0.000 0.482 376 G N 1.996 110.718 108.800 -0.130 0.000 2.203 376 G HA2 -0.218 3.760 3.960 0.029 0.000 0.263 376 G HA3 -0.218 3.760 3.960 0.029 0.000 0.263 376 G C 0.105 174.959 174.900 -0.077 0.000 1.012 376 G CA -0.169 44.870 45.100 -0.100 0.000 0.749 376 G HN 0.556 nan 8.290 nan 0.000 0.512 377 Q N 0.024 119.779 119.800 -0.076 0.000 2.345 377 Q HA 0.402 4.759 4.340 0.029 0.000 0.268 377 Q C -0.437 175.539 176.000 -0.040 0.000 1.054 377 Q CA -0.986 54.785 55.803 -0.054 0.000 0.835 377 Q CB 1.520 30.223 28.738 -0.059 0.000 1.339 377 Q HN 0.293 nan 8.270 nan 0.000 0.447 378 D N 1.315 121.697 120.400 -0.030 0.000 2.487 378 D HA -0.055 4.602 4.640 0.029 0.000 0.243 378 D C 0.938 177.222 176.300 -0.027 0.000 1.154 378 D CA 0.485 54.469 54.000 -0.027 0.000 0.876 378 D CB 0.981 41.769 40.800 -0.020 0.000 1.161 378 D HN 0.633 nan 8.370 nan 0.000 0.478 379 T N 1.029 115.558 114.554 -0.041 0.000 3.055 379 T HA 0.120 4.487 4.350 0.029 0.000 0.265 379 T C 1.570 176.229 174.700 -0.067 0.000 1.111 379 T CA 0.722 62.780 62.100 -0.070 0.000 1.118 379 T CB -0.111 68.693 68.868 -0.106 0.000 0.909 379 T HN 0.653 nan 8.240 nan 0.000 0.501 380 G N 1.083 109.862 108.800 -0.036 0.000 2.162 380 G HA2 -0.262 3.715 3.960 0.029 0.000 0.260 380 G HA3 -0.262 3.715 3.960 0.029 0.000 0.260 380 G C 0.711 175.607 174.900 -0.008 0.000 0.976 380 G CA 0.425 45.511 45.100 -0.024 0.000 0.655 380 G HN 0.557 nan 8.290 nan 0.000 0.533 381 L N 0.383 121.610 121.223 0.006 0.000 2.291 381 L HA 0.277 4.634 4.340 0.029 0.000 0.214 381 L C 2.292 179.274 176.870 0.187 0.000 1.120 381 L CA 1.034 55.928 54.840 0.090 0.000 0.799 381 L CB -0.343 41.730 42.059 0.023 0.000 0.925 381 L HN 1.096 nan 8.230 nan 0.000 0.446 382 G N 0.233 109.099 108.800 0.110 0.000 2.295 382 G HA2 -0.319 3.659 3.960 0.029 0.000 0.287 382 G HA3 -0.319 3.659 3.960 0.029 0.000 0.287 382 G C -0.031 174.917 174.900 0.079 0.000 1.055 382 G CA -0.286 44.839 45.100 0.043 0.000 0.922 382 G HN 0.235 nan 8.290 nan 0.000 0.503 383 F N 0.886 120.798 119.950 -0.062 0.000 2.375 383 F HA 0.380 4.925 4.527 0.030 0.000 0.362 383 F C -1.399 174.376 175.800 -0.043 0.000 1.129 383 F CA -2.335 55.640 58.000 -0.041 0.000 1.154 383 F CB 1.422 40.416 39.000 -0.010 0.000 1.205 383 F HN -0.051 nan 8.300 nan 0.000 0.513 384 P HA 0.071 nan 4.420 nan 0.000 0.264 384 P C 0.687 178.010 177.300 0.038 0.000 1.183 384 P CA 0.876 63.979 63.100 0.006 0.000 0.763 384 P CB 0.638 32.313 31.700 -0.042 0.000 0.807 385 G N 1.290 110.106 108.800 0.027 0.000 2.176 385 G HA2 -0.279 3.699 3.960 0.029 0.000 0.253 385 G HA3 -0.279 3.699 3.960 0.029 0.000 0.253 385 G C 0.246 175.169 174.900 0.039 0.000 0.979 385 G CA -0.068 45.048 45.100 0.027 0.000 0.641 385 G HN 0.639 nan 8.290 nan 0.000 0.530 386 E N 0.482 120.718 120.200 0.060 0.000 2.414 386 E HA 0.392 4.760 4.350 0.029 0.000 0.263 386 E C 0.478 177.083 176.600 0.007 0.000 1.000 386 E CA -0.327 56.098 56.400 0.041 0.000 0.914 386 E CB 0.301 30.035 29.700 0.057 0.000 0.948 386 E HN 0.241 nan 8.360 nan 0.000 0.444 387 R N 2.422 122.916 120.500 -0.011 0.000 2.428 387 R HA 0.179 4.537 4.340 0.029 0.000 0.294 387 R C 0.539 176.816 176.300 -0.039 0.000 1.000 387 R CA -0.277 55.809 56.100 -0.024 0.000 0.960 387 R CB 1.481 31.766 30.300 -0.026 0.000 1.076 387 R HN 0.373 nan 8.270 nan 0.000 0.475 388 V N 1.644 121.534 119.914 -0.040 0.000 2.825 388 V HA 0.207 4.344 4.120 0.029 0.000 0.246 388 V C 1.271 177.326 176.094 -0.065 0.000 1.068 388 V CA 1.387 63.659 62.300 -0.047 0.000 1.088 388 V CB -0.798 31.004 31.823 -0.035 0.000 0.733 388 V HN 1.093 nan 8.190 nan 0.000 0.468 389 G N 0.952 109.712 108.800 -0.066 0.000 2.562 389 G HA2 -0.282 3.695 3.960 0.029 0.000 0.250 389 G HA3 -0.282 3.695 3.960 0.029 0.000 0.250 389 G C -0.329 174.533 174.900 -0.064 0.000 1.269 389 G CA 0.320 45.371 45.100 -0.082 0.000 0.919 389 G HN 0.768 nan 8.290 nan 0.000 0.574 390 N N -1.890 116.770 118.700 -0.067 0.000 2.431 390 N HA 0.539 5.297 4.740 0.029 0.000 0.275 390 N C -1.621 173.877 175.510 -0.021 0.000 1.091 390 N CA -0.568 52.460 53.050 -0.037 0.000 0.922 390 N CB 1.641 40.107 38.487 -0.035 0.000 1.666 390 N HN 1.071 nan 8.380 nan 0.000 0.484 391 L N 4.599 125.836 121.223 0.023 0.000 2.318 391 L HA 0.704 5.062 4.340 0.029 0.000 0.277 391 L C -2.311 174.688 176.870 0.215 0.000 1.008 391 L CA -1.795 53.096 54.840 0.086 0.000 0.846 391 L CB 0.860 42.923 42.059 0.006 0.000 1.220 391 L HN 0.499 nan 8.230 nan 0.000 0.423 392 P HA 0.179 nan 4.420 nan 0.000 0.269 392 P C -1.126 176.282 177.300 0.179 0.000 1.209 392 P CA -0.031 63.139 63.100 0.116 0.000 0.776 392 P CB 0.789 32.558 31.700 0.114 0.000 0.876 393 N N 0.698 119.234 118.700 -0.273 0.000 2.284 393 N HA 0.382 5.139 4.740 0.029 0.000 0.289 393 N C -1.335 173.556 175.510 -1.033 0.000 1.179 393 N CA -0.482 52.244 53.050 -0.539 0.000 0.774 393 N CB 1.462 39.656 38.487 -0.489 0.000 1.548 393 N HN 0.408 nan 8.380 nan 0.000 0.473 394 H N 0.317 118.775 119.070 -1.020 0.000 2.980 394 H HA 0.298 4.871 4.556 0.028 0.000 0.367 394 H C 0.284 175.287 175.328 -0.542 0.000 1.206 394 H CA -0.531 54.972 56.048 -0.908 0.000 1.126 394 H CB 2.382 31.303 29.762 -1.401 0.000 1.838 394 H HN 0.516 nan 8.280 nan 0.000 0.552 395 R N 0.817 121.198 120.500 -0.198 0.000 2.066 395 R HA 0.067 4.424 4.340 0.029 0.000 0.224 395 R C 0.180 176.478 176.300 -0.002 0.000 1.122 395 R CA 0.932 56.986 56.100 -0.076 0.000 0.974 395 R CB 0.437 30.699 30.300 -0.062 0.000 0.871 395 R HN 0.326 nan 8.270 nan 0.000 0.435 396 K N 0.413 120.794 120.400 -0.033 0.000 2.425 396 K HA 0.101 4.439 4.320 0.029 0.000 0.259 396 K C -1.797 174.777 176.600 -0.043 0.000 0.978 396 K CA -0.613 55.690 56.287 0.026 0.000 0.883 396 K CB 0.749 33.254 32.500 0.008 0.000 1.110 396 K HN -0.009 nan 8.250 nan 0.000 0.436 397 W N 5.727 126.983 121.300 -0.073 0.000 2.345 397 W HA 0.234 4.911 4.660 0.027 0.000 0.308 397 W C -1.818 174.588 176.519 -0.188 0.000 1.273 397 W CA -1.437 55.788 57.345 -0.199 0.000 1.243 397 W CB 0.531 29.924 29.460 -0.112 0.000 1.260 397 W HN 0.499 nan 8.180 nan 0.000 0.509 398 P HA 0.095 nan 4.420 nan 0.000 0.274 398 P C 0.826 178.138 177.300 0.020 0.000 1.246 398 P CA -0.334 62.734 63.100 -0.055 0.000 0.795 398 P CB 1.011 32.639 31.700 -0.120 0.000 1.006 399 K N 0.816 121.210 120.400 -0.011 0.000 2.032 399 K HA -0.189 4.148 4.320 0.029 0.000 0.209 399 K C 1.920 178.596 176.600 0.126 0.000 1.048 399 K CA 1.921 58.208 56.287 -0.001 0.000 0.927 399 K CB -0.640 31.726 32.500 -0.224 0.000 0.712 399 K HN 0.496 nan 8.250 nan 0.000 0.441 400 A N 1.200 124.027 122.820 0.011 0.000 1.902 400 A HA -0.198 4.140 4.320 0.029 0.000 0.217 400 A C 1.861 179.376 177.584 -0.115 0.000 1.181 400 A CA 1.752 53.730 52.037 -0.099 0.000 0.623 400 A CB -0.399 18.442 19.000 -0.264 0.000 0.818 400 A HN 0.249 nan 8.150 nan 0.000 0.443 401 E N -0.538 119.638 120.200 -0.041 0.000 2.150 401 E HA -0.066 4.302 4.350 0.029 0.000 0.193 401 E C 2.058 178.785 176.600 0.211 0.000 0.985 401 E CA 1.511 57.950 56.400 0.065 0.000 0.814 401 E CB -0.547 29.138 29.700 -0.026 0.000 0.752 401 E HN 0.582 nan 8.360 nan 0.000 0.466 402 T N 0.347 115.027 114.554 0.210 0.000 2.708 402 T HA -0.163 4.204 4.350 0.029 0.000 0.266 402 T C 1.925 176.609 174.700 -0.026 0.000 1.037 402 T CA 1.405 63.559 62.100 0.091 0.000 1.146 402 T CB -0.372 68.611 68.868 0.193 0.000 0.865 402 T HN 0.295 nan 8.240 nan 0.000 0.435 403 A N 1.848 124.690 122.820 0.037 0.000 1.858 403 A HA -0.142 4.195 4.320 0.029 0.000 0.216 403 A C 2.659 179.999 177.584 -0.407 0.000 1.190 403 A CA 2.453 54.432 52.037 -0.097 0.000 0.617 403 A CB -1.416 17.671 19.000 0.144 0.000 0.827 403 A HN 0.635 nan 8.150 nan 0.000 0.443 404 T N -1.489 112.785 114.554 -0.467 0.000 2.788 404 T HA -0.170 4.197 4.350 0.029 0.000 0.268 404 T C 1.795 176.264 174.700 -0.385 0.000 1.044 404 T CA 1.526 63.206 62.100 -0.700 0.000 1.139 404 T CB -0.617 68.089 68.868 -0.271 0.000 0.867 404 T HN 0.288 nan 8.240 nan 0.000 0.454 405 L N 2.054 123.200 121.223 -0.129 0.000 1.989 405 L HA 0.133 4.490 4.340 0.029 0.000 0.211 405 L C 2.886 179.702 176.870 -0.090 0.000 1.071 405 L CA 2.105 56.929 54.840 -0.026 0.000 0.749 405 L CB -1.230 40.830 42.059 0.002 0.000 0.890 405 L HN 0.342 nan 8.230 nan 0.000 0.431 406 A N -0.844 121.886 122.820 -0.150 0.000 1.972 406 A HA -0.223 4.115 4.320 0.029 0.000 0.219 406 A C 1.907 179.505 177.584 0.023 0.000 1.169 406 A CA 1.794 53.776 52.037 -0.091 0.000 0.635 406 A CB -1.108 17.812 19.000 -0.133 0.000 0.810 406 A HN 0.823 nan 8.150 nan 0.000 0.446 407 Y N -3.324 116.984 120.300 0.015 0.000 2.555 407 Y HA 0.488 5.054 4.550 0.027 0.000 0.259 407 Y C 1.058 177.025 175.900 0.111 0.000 1.179 407 Y CA -0.156 57.970 58.100 0.043 0.000 1.230 407 Y CB -0.513 37.961 38.460 0.024 0.000 1.146 407 Y HN 0.363 nan 8.280 nan 0.000 0.526 408 G N 0.542 109.413 108.800 0.118 0.000 2.176 408 G HA2 -0.385 3.592 3.960 0.029 0.000 0.252 408 G HA3 -0.385 3.592 3.960 0.029 0.000 0.252 408 G C -0.457 174.552 174.900 0.181 0.000 1.024 408 G CA 0.310 45.496 45.100 0.143 0.000 0.755 408 G HN 0.683 nan 8.290 nan 0.000 0.507 409 Y N 0.137 120.445 120.300 0.013 0.000 2.320 409 Y HA 0.449 5.015 4.550 0.027 0.000 0.334 409 Y C 1.316 177.227 175.900 0.018 0.000 1.055 409 Y CA 0.340 58.477 58.100 0.063 0.000 1.143 409 Y CB 1.446 39.969 38.460 0.105 0.000 1.193 409 Y HN 1.165 nan 8.280 nan 0.000 0.477 410 G N 4.815 113.363 108.800 -0.419 0.000 2.159 410 G HA2 -0.231 3.746 3.960 0.029 0.000 0.256 410 G HA3 -0.231 3.746 3.960 0.029 0.000 0.256 410 G C -0.521 174.326 174.900 -0.089 0.000 0.977 410 G CA 0.210 45.157 45.100 -0.256 0.000 0.652 410 G HN 0.654 nan 8.290 nan 0.000 0.531 411 L N 0.427 121.614 121.223 -0.061 0.000 2.344 411 L HA 0.757 5.115 4.340 0.029 0.000 0.272 411 L C 0.140 176.960 176.870 -0.083 0.000 1.035 411 L CA -0.689 54.129 54.840 -0.037 0.000 0.807 411 L CB 1.941 43.991 42.059 -0.014 0.000 1.237 411 L HN 0.079 nan 8.230 nan 0.000 0.442 412 S N 1.473 117.111 115.700 -0.103 0.000 2.659 412 S HA 0.634 5.122 4.470 0.029 0.000 0.312 412 S C -0.423 174.045 174.600 -0.220 0.000 1.114 412 S CA -0.614 57.494 58.200 -0.154 0.000 1.063 412 S CB 1.932 65.067 63.200 -0.109 0.000 0.996 412 S HN 0.471 nan 8.310 nan 0.000 0.478 413 V N 0.913 120.587 119.914 -0.400 0.000 3.141 413 V HA 0.935 5.073 4.120 0.029 0.000 0.312 413 V C -0.068 175.644 176.094 -0.635 0.000 1.157 413 V CA -0.946 61.092 62.300 -0.437 0.000 1.041 413 V CB 1.558 33.151 31.823 -0.384 0.000 1.071 413 V HN 0.778 nan 8.190 nan 0.000 0.441 414 T N -1.254 113.080 114.554 -0.366 0.000 2.944 414 T HA 0.752 5.119 4.350 0.029 0.000 0.284 414 T C 1.128 175.819 174.700 -0.015 0.000 1.010 414 T CA -0.044 61.943 62.100 -0.188 0.000 1.025 414 T CB 1.556 70.383 68.868 -0.067 0.000 1.079 414 T HN 1.616 nan 8.240 nan 0.000 0.516 415 A N 1.085 124.082 122.820 0.295 0.000 1.933 415 A HA 0.055 4.393 4.320 0.029 0.000 0.218 415 A C 2.246 179.920 177.584 0.149 0.000 1.175 415 A CA 0.854 53.089 52.037 0.331 0.000 0.628 415 A CB -0.899 18.254 19.000 0.255 0.000 0.814 415 A HN 0.831 nan 8.150 nan 0.000 0.444 416 I N -0.235 120.376 120.570 0.068 0.000 2.226 416 I HA -0.269 3.918 4.170 0.029 0.000 0.245 416 I C 2.614 178.762 176.117 0.050 0.000 1.100 416 I CA 1.584 62.899 61.300 0.024 0.000 1.374 416 I CB -1.393 36.572 38.000 -0.058 0.000 1.057 416 I HN 0.500 nan 8.210 nan 0.000 0.413 417 Q N 0.094 119.907 119.800 0.023 0.000 2.084 417 Q HA -0.233 4.124 4.340 0.029 0.000 0.202 417 Q C 2.284 178.330 176.000 0.076 0.000 0.978 417 Q CA 1.352 57.175 55.803 0.034 0.000 0.844 417 Q CB -0.217 28.493 28.738 -0.047 0.000 0.898 417 Q HN 0.305 nan 8.270 nan 0.000 0.426 418 L N 0.462 121.741 121.223 0.094 0.000 2.083 418 L HA -0.114 4.243 4.340 0.029 0.000 0.209 418 L C 2.115 179.146 176.870 0.269 0.000 1.083 418 L CA 1.918 56.870 54.840 0.186 0.000 0.752 418 L CB -0.719 41.476 42.059 0.227 0.000 0.899 418 L HN 0.131 nan 8.230 nan 0.000 0.433 419 A N -1.729 121.215 122.820 0.206 0.000 1.898 419 A HA -0.278 4.060 4.320 0.029 0.000 0.216 419 A C 2.397 180.140 177.584 0.264 0.000 1.181 419 A CA 1.718 53.885 52.037 0.217 0.000 0.620 419 A CB -1.064 18.027 19.000 0.151 0.000 0.819 419 A HN 0.696 nan 8.150 nan 0.000 0.442 420 H N -0.464 118.661 119.070 0.091 0.000 2.387 420 H HA -0.067 4.505 4.556 0.028 0.000 0.299 420 H C 2.289 177.647 175.328 0.050 0.000 1.090 420 H CA 1.147 57.224 56.048 0.048 0.000 1.332 420 H CB 0.043 29.803 29.762 -0.004 0.000 1.386 420 H HN 0.462 nan 8.280 nan 0.000 0.516 421 A N 0.413 123.235 122.820 0.004 0.000 1.902 421 A HA -0.195 4.143 4.320 0.029 0.000 0.217 421 A C 2.058 179.722 177.584 0.133 0.000 1.181 421 A CA 1.282 53.236 52.037 -0.139 0.000 0.623 421 A CB -1.078 17.725 19.000 -0.329 0.000 0.818 421 A HN 0.506 nan 8.150 nan 0.000 0.443 422 Y N -0.047 120.390 120.300 0.228 0.000 2.293 422 Y HA -0.056 4.514 4.550 0.033 0.000 0.291 422 Y C 2.842 178.798 175.900 0.094 0.000 1.137 422 Y CA 0.731 58.984 58.100 0.255 0.000 1.202 422 Y CB -0.414 38.212 38.460 0.276 0.000 0.990 422 Y HN 0.342 nan 8.280 nan 0.000 0.537 423 A N -0.158 122.770 122.820 0.181 0.000 1.898 423 A HA -0.118 4.220 4.320 0.029 0.000 0.216 423 A C 2.448 179.996 177.584 -0.060 0.000 1.181 423 A CA 1.697 53.770 52.037 0.060 0.000 0.620 423 A CB -1.169 17.900 19.000 0.115 0.000 0.819 423 A HN 0.383 nan 8.150 nan 0.000 0.442 424 A N -0.478 122.280 122.820 -0.102 0.000 1.902 424 A HA -0.030 4.307 4.320 0.029 0.000 0.217 424 A C 2.124 179.631 177.584 -0.127 0.000 1.181 424 A CA 1.714 53.669 52.037 -0.135 0.000 0.623 424 A CB -0.636 18.247 19.000 -0.194 0.000 0.818 424 A HN 0.668 nan 8.150 nan 0.000 0.443 425 L N -0.165 120.989 121.223 -0.115 0.000 2.042 425 L HA -0.092 4.265 4.340 0.029 0.000 0.210 425 L C 2.633 179.276 176.870 -0.379 0.000 1.076 425 L CA 2.298 57.027 54.840 -0.186 0.000 0.749 425 L CB -0.747 41.185 42.059 -0.212 0.000 0.893 425 L HN 0.337 nan 8.230 nan 0.000 0.432 426 A N -0.838 121.627 122.820 -0.592 0.000 1.969 426 A HA -0.174 4.163 4.320 0.029 0.000 0.218 426 A C 1.756 179.110 177.584 -0.383 0.000 1.169 426 A CA 1.346 52.851 52.037 -0.887 0.000 0.635 426 A CB -0.790 17.665 19.000 -0.909 0.000 0.810 426 A HN 0.555 nan 8.150 nan 0.000 0.445 427 N N 0.951 119.515 118.700 -0.226 0.000 2.623 427 N HA 0.119 4.876 4.740 0.029 0.000 0.263 427 N C -0.915 174.534 175.510 -0.102 0.000 1.218 427 N CA 0.087 53.064 53.050 -0.122 0.000 0.949 427 N CB -0.665 37.776 38.487 -0.077 0.000 1.270 427 N HN 0.216 nan 8.380 nan 0.000 0.507 428 D N -0.051 120.277 120.400 -0.119 0.000 2.701 428 D HA -0.194 4.463 4.640 0.029 0.000 0.235 428 D C 1.042 177.299 176.300 -0.072 0.000 1.155 428 D CA 1.484 55.434 54.000 -0.083 0.000 0.649 428 D CB -1.438 39.332 40.800 -0.050 0.000 1.050 428 D HN 0.604 nan 8.370 nan 0.000 0.425 429 G N -0.642 108.104 108.800 -0.089 0.000 2.179 429 G HA2 -0.385 3.593 3.960 0.029 0.000 0.260 429 G HA3 -0.385 3.593 3.960 0.029 0.000 0.260 429 G C 0.307 175.168 174.900 -0.065 0.000 0.977 429 G CA 0.561 45.620 45.100 -0.069 0.000 0.641 429 G HN 0.624 nan 8.290 nan 0.000 0.533 430 K N 0.894 121.255 120.400 -0.065 0.000 2.213 430 K HA 0.570 4.907 4.320 0.029 0.000 0.270 430 K C -0.072 176.490 176.600 -0.063 0.000 1.002 430 K CA -0.136 56.119 56.287 -0.053 0.000 0.868 430 K CB 1.007 33.485 32.500 -0.036 0.000 1.093 430 K HN 0.101 nan 8.250 nan 0.000 0.454 431 S N 3.673 119.331 115.700 -0.070 0.000 2.430 431 S HA 0.267 4.754 4.470 0.029 0.000 0.289 431 S C -0.579 174.029 174.600 0.014 0.000 1.143 431 S CA -0.736 57.413 58.200 -0.085 0.000 1.067 431 S CB 0.503 63.608 63.200 -0.158 0.000 0.964 431 S HN 0.368 nan 8.310 nan 0.000 0.485 432 V N 8.218 128.173 119.914 0.069 0.000 2.439 432 V HA 0.401 4.538 4.120 0.029 0.000 0.282 432 V C -2.051 174.137 176.094 0.156 0.000 1.039 432 V CA -2.053 60.297 62.300 0.083 0.000 0.913 432 V CB 1.025 32.880 31.823 0.053 0.000 0.983 432 V HN 0.727 nan 8.190 nan 0.000 0.460 433 P HA 0.064 nan 4.420 nan 0.000 0.264 433 P C -0.163 177.113 177.300 -0.039 0.000 1.183 433 P CA 0.022 63.148 63.100 0.043 0.000 0.763 433 P CB 0.394 32.102 31.700 0.013 0.000 0.807 434 L N 1.961 123.057 121.223 -0.212 0.000 2.485 434 L HA 0.202 4.559 4.340 0.029 0.000 0.275 434 L C 0.928 177.736 176.870 -0.103 0.000 1.207 434 L CA 0.849 55.542 54.840 -0.245 0.000 0.855 434 L CB 0.318 42.137 42.059 -0.400 0.000 1.114 434 L HN 0.406 nan 8.230 nan 0.000 0.485 435 S N 2.792 118.455 115.700 -0.062 0.000 2.548 435 S HA 0.420 4.907 4.470 0.029 0.000 0.276 435 S C 0.263 174.860 174.600 -0.004 0.000 1.129 435 S CA -0.728 57.465 58.200 -0.012 0.000 0.931 435 S CB 1.386 64.581 63.200 -0.009 0.000 1.068 435 S HN 0.584 nan 8.310 nan 0.000 0.480 436 M N 2.905 122.536 119.600 0.052 0.000 2.428 436 M HA 0.148 4.645 4.480 0.029 0.000 0.239 436 M C 0.714 177.005 176.300 -0.015 0.000 1.121 436 M CA 0.397 55.730 55.300 0.055 0.000 1.019 436 M CB -0.423 32.302 32.600 0.209 0.000 1.485 436 M HN 0.832 nan 8.290 nan 0.000 0.484 437 T N -1.638 112.883 114.554 -0.054 0.000 2.918 437 T HA 0.495 4.862 4.350 0.029 0.000 0.286 437 T C 0.098 174.745 174.700 -0.089 0.000 1.026 437 T CA -0.890 61.125 62.100 -0.143 0.000 1.031 437 T CB 2.217 70.936 68.868 -0.248 0.000 1.046 437 T HN 0.222 nan 8.240 nan 0.000 0.479 438 R N 1.278 121.723 120.500 -0.091 0.000 2.538 438 R HA 0.309 4.666 4.340 0.029 0.000 0.282 438 R C -0.927 175.344 176.300 -0.048 0.000 1.009 438 R CA -0.162 55.904 56.100 -0.056 0.000 1.063 438 R CB -0.006 30.265 30.300 -0.048 0.000 0.945 438 R HN 0.569 nan 8.270 nan 0.000 0.414 439 V N 5.750 125.646 119.914 -0.030 0.000 2.350 439 V HA 0.095 4.232 4.120 0.029 0.000 0.276 439 V C 0.114 176.200 176.094 -0.013 0.000 1.028 439 V CA -0.312 61.975 62.300 -0.021 0.000 0.860 439 V CB 1.506 33.321 31.823 -0.013 0.000 0.990 439 V HN 0.881 nan 8.190 nan 0.000 0.453 440 D N 2.937 123.330 120.400 -0.012 0.000 2.338 440 D HA 0.074 4.731 4.640 0.029 0.000 0.224 440 D C 1.060 177.360 176.300 -0.001 0.000 0.967 440 D CA 0.471 54.469 54.000 -0.004 0.000 0.896 440 D CB 0.543 41.342 40.800 -0.002 0.000 1.028 440 D HN 0.348 nan 8.370 nan 0.000 0.493 441 R N 1.628 122.127 120.500 -0.001 0.000 2.288 441 R HA 0.362 4.719 4.340 0.029 0.000 0.326 441 R C -0.969 175.331 176.300 0.001 0.000 0.959 441 R CA -0.340 55.761 56.100 0.002 0.000 0.834 441 R CB 1.134 31.435 30.300 0.003 0.000 1.157 441 R HN -0.230 nan 8.270 nan 0.000 0.470 442 V N 6.939 126.854 119.914 0.003 0.000 2.572 442 V HA 0.143 4.280 4.120 0.029 0.000 0.291 442 V C -1.578 174.519 176.094 0.005 0.000 1.039 442 V CA -1.107 61.195 62.300 0.004 0.000 1.055 442 V CB 0.666 32.492 31.823 0.007 0.000 0.969 442 V HN 0.764 nan 8.190 nan 0.000 0.482 443 P HA 0.217 nan 4.420 nan 0.000 0.272 443 P C -0.603 176.702 177.300 0.008 0.000 1.240 443 P CA -0.573 62.531 63.100 0.006 0.000 0.791 443 P CB 0.410 32.114 31.700 0.007 0.000 0.978 444 D N -0.372 120.032 120.400 0.007 0.000 2.414 444 D HA 0.288 4.945 4.640 0.029 0.000 0.242 444 D C 0.908 177.213 176.300 0.008 0.000 1.129 444 D CA 0.525 54.529 54.000 0.006 0.000 0.885 444 D CB 0.411 41.213 40.800 0.004 0.000 1.198 444 D HN 0.409 nan 8.370 nan 0.000 0.437 445 G N -0.028 108.775 108.800 0.006 0.000 2.502 445 G HA2 0.480 4.457 3.960 0.029 0.000 0.305 445 G HA3 0.480 4.457 3.960 0.029 0.000 0.305 445 G C -0.631 174.268 174.900 -0.002 0.000 1.190 445 G CA -0.495 44.608 45.100 0.005 0.000 0.933 445 G HN 0.318 nan 8.290 nan 0.000 0.503 446 V N 0.547 120.457 119.914 -0.008 0.000 2.417 446 V HA 0.247 4.384 4.120 0.029 0.000 0.291 446 V C -0.001 176.077 176.094 -0.027 0.000 1.024 446 V CA -0.678 61.613 62.300 -0.015 0.000 0.861 446 V CB 1.460 33.275 31.823 -0.014 0.000 0.985 446 V HN 0.731 nan 8.190 nan 0.000 0.436 447 Q N 3.177 122.963 119.800 -0.023 0.000 2.300 447 Q HA 0.192 4.549 4.340 0.029 0.000 0.262 447 Q C 0.543 176.523 176.000 -0.033 0.000 1.109 447 Q CA 0.130 55.916 55.803 -0.028 0.000 0.905 447 Q CB 1.140 29.866 28.738 -0.020 0.000 1.280 447 Q HN 0.782 nan 8.270 nan 0.000 0.426 448 V N 1.976 121.862 119.914 -0.047 0.000 2.949 448 V HA 0.358 4.496 4.120 0.029 0.000 0.245 448 V C 0.646 176.714 176.094 -0.042 0.000 1.086 448 V CA 0.454 62.721 62.300 -0.054 0.000 1.097 448 V CB -0.005 31.765 31.823 -0.087 0.000 0.762 448 V HN 0.550 nan 8.190 nan 0.000 0.470 449 I N 1.875 122.423 120.570 -0.037 0.000 2.509 449 I HA 0.460 4.647 4.170 0.029 0.000 0.293 449 I C 0.350 176.453 176.117 -0.024 0.000 1.020 449 I CA -0.587 60.699 61.300 -0.024 0.000 1.088 449 I CB 2.178 40.168 38.000 -0.017 0.000 1.267 449 I HN 0.254 nan 8.210 nan 0.000 0.430 450 S N 5.592 121.283 115.700 -0.016 0.000 2.558 450 S HA 0.156 4.643 4.470 0.029 0.000 0.288 450 S C -1.828 172.761 174.600 -0.019 0.000 1.318 450 S CA -0.679 57.512 58.200 -0.015 0.000 1.056 450 S CB 0.795 63.990 63.200 -0.007 0.000 0.853 450 S HN 0.413 nan 8.310 nan 0.000 0.505 451 P HA -0.158 nan 4.420 nan 0.000 0.216 451 P C 1.412 178.702 177.300 -0.018 0.000 1.153 451 P CA 1.474 64.561 63.100 -0.021 0.000 0.858 451 P CB 0.043 31.733 31.700 -0.016 0.000 0.789 452 E N -0.394 119.799 120.200 -0.011 0.000 2.051 452 E HA -0.140 4.227 4.350 0.029 0.000 0.192 452 E C 1.830 178.425 176.600 -0.007 0.000 0.991 452 E CA 1.177 57.574 56.400 -0.006 0.000 0.799 452 E CB -0.307 29.392 29.700 -0.002 0.000 0.748 452 E HN -0.047 nan 8.360 nan 0.000 0.449 453 V N 1.274 121.182 119.914 -0.009 0.000 2.295 453 V HA -0.265 3.873 4.120 0.029 0.000 0.246 453 V C 2.482 178.560 176.094 -0.026 0.000 1.049 453 V CA 1.853 64.146 62.300 -0.012 0.000 1.024 453 V CB -0.818 30.999 31.823 -0.010 0.000 0.648 453 V HN 0.426 nan 8.190 nan 0.000 0.447 454 A N -0.723 122.076 122.820 -0.034 0.000 1.902 454 A HA -0.244 4.093 4.320 0.029 0.000 0.217 454 A C 2.558 180.119 177.584 -0.039 0.000 1.181 454 A CA 2.255 54.261 52.037 -0.053 0.000 0.623 454 A CB -0.796 18.163 19.000 -0.068 0.000 0.818 454 A HN 0.481 nan 8.150 nan 0.000 0.443 455 S N -1.032 114.654 115.700 -0.023 0.000 2.382 455 S HA -0.138 4.350 4.470 0.029 0.000 0.228 455 S C 2.057 176.662 174.600 0.008 0.000 1.027 455 S CA 2.168 60.366 58.200 -0.004 0.000 0.991 455 S CB -0.559 62.639 63.200 -0.003 0.000 0.823 455 S HN 0.635 nan 8.310 nan 0.000 0.469 456 T N 1.560 116.113 114.554 -0.001 0.000 2.708 456 T HA -0.044 4.324 4.350 0.029 0.000 0.266 456 T C 1.842 176.541 174.700 -0.002 0.000 1.037 456 T CA 1.516 63.617 62.100 0.001 0.000 1.146 456 T CB -0.474 68.395 68.868 0.001 0.000 0.865 456 T HN 0.274 nan 8.240 nan 0.000 0.435 457 V N 1.636 121.539 119.914 -0.018 0.000 2.407 457 V HA -0.216 3.922 4.120 0.029 0.000 0.248 457 V C 2.602 178.709 176.094 0.022 0.000 1.055 457 V CA 1.608 63.886 62.300 -0.037 0.000 1.049 457 V CB -0.759 31.004 31.823 -0.100 0.000 0.662 457 V HN 0.512 nan 8.190 nan 0.000 0.455 458 Q N 0.213 120.064 119.800 0.085 0.000 2.096 458 Q HA -0.172 4.186 4.340 0.029 0.000 0.204 458 Q C 2.420 178.504 176.000 0.141 0.000 0.982 458 Q CA 1.847 57.795 55.803 0.243 0.000 0.850 458 Q CB -0.623 28.257 28.738 0.236 0.000 0.901 458 Q HN 0.716 nan 8.270 nan 0.000 0.422 459 G N 0.588 109.430 108.800 0.070 0.000 2.418 459 G HA2 -0.247 3.730 3.960 0.029 0.000 0.217 459 G HA3 -0.247 3.730 3.960 0.029 0.000 0.217 459 G C 1.370 176.278 174.900 0.012 0.000 1.158 459 G CA 0.836 45.955 45.100 0.032 0.000 0.771 459 G HN 0.190 nan 8.290 nan 0.000 0.545 460 M N -0.038 119.564 119.600 0.003 0.000 2.159 460 M HA 0.102 4.599 4.480 0.029 0.000 0.263 460 M C 2.460 178.743 176.300 -0.027 0.000 1.063 460 M CA 1.018 56.308 55.300 -0.016 0.000 1.110 460 M CB -0.309 32.272 32.600 -0.032 0.000 1.374 460 M HN 0.117 nan 8.290 nan 0.000 0.411 461 L N -0.459 120.746 121.223 -0.030 0.000 2.217 461 L HA -0.177 4.180 4.340 0.029 0.000 0.211 461 L C 2.571 179.395 176.870 -0.076 0.000 1.107 461 L CA 1.025 55.820 54.840 -0.075 0.000 0.783 461 L CB -0.680 41.313 42.059 -0.111 0.000 0.919 461 L HN 0.453 nan 8.230 nan 0.000 0.442 462 Q N 0.241 120.021 119.800 -0.034 0.000 2.079 462 Q HA -0.224 4.133 4.340 0.029 0.000 0.200 462 Q C 2.152 178.160 176.000 0.013 0.000 0.974 462 Q CA 1.389 57.189 55.803 -0.004 0.000 0.840 462 Q CB 0.103 28.851 28.738 0.017 0.000 0.898 462 Q HN 0.552 nan 8.270 nan 0.000 0.430 463 Q N -0.512 119.291 119.800 0.004 0.000 2.167 463 Q HA -0.118 4.240 4.340 0.029 0.000 0.202 463 Q C 2.155 178.162 176.000 0.011 0.000 0.970 463 Q CA 1.418 57.227 55.803 0.010 0.000 0.855 463 Q CB 0.095 28.834 28.738 0.002 0.000 0.911 463 Q HN 0.239 nan 8.270 nan 0.000 0.438 464 V N 0.272 120.183 119.914 -0.006 0.000 2.324 464 V HA -0.250 3.887 4.120 0.029 0.000 0.250 464 V C 2.108 178.217 176.094 0.025 0.000 1.060 464 V CA 1.569 63.867 62.300 -0.004 0.000 1.042 464 V CB -0.388 31.416 31.823 -0.031 0.000 0.650 464 V HN 0.205 nan 8.190 nan 0.000 0.450 465 V N -0.587 119.347 119.914 0.032 0.000 2.535 465 V HA -0.111 4.027 4.120 0.029 0.000 0.246 465 V C 2.220 178.359 176.094 0.076 0.000 1.045 465 V CA 1.645 63.975 62.300 0.051 0.000 1.058 465 V CB -0.373 31.482 31.823 0.054 0.000 0.689 465 V HN 0.600 nan 8.190 nan 0.000 0.461 466 E N 0.305 120.549 120.200 0.073 0.000 2.276 466 E HA 0.243 4.611 4.350 0.029 0.000 0.193 466 E C 1.103 177.741 176.600 0.064 0.000 0.983 466 E CA 0.489 56.938 56.400 0.082 0.000 0.861 466 E CB 0.129 29.885 29.700 0.093 0.000 0.817 466 E HN 0.558 nan 8.360 nan 0.000 0.485 467 A N 1.758 124.607 122.820 0.048 0.000 2.346 467 A HA 0.012 4.349 4.320 0.029 0.000 0.252 467 A C 0.363 177.968 177.584 0.035 0.000 1.089 467 A CA -0.309 51.748 52.037 0.034 0.000 0.797 467 A CB 0.325 19.338 19.000 0.022 0.000 1.047 467 A HN 0.105 nan 8.150 nan 0.000 0.494 468 Q N 0.042 119.853 119.800 0.018 0.000 2.269 468 Q HA 0.252 4.609 4.340 0.029 0.000 0.300 468 Q C 1.043 177.055 176.000 0.020 0.000 1.070 468 Q CA 1.421 57.229 55.803 0.008 0.000 0.957 468 Q CB 0.027 28.764 28.738 -0.002 0.000 1.131 468 Q HN 1.873 nan 8.270 nan 0.000 0.377 469 G N 2.849 111.667 108.800 0.031 0.000 2.159 469 G HA2 -0.253 3.724 3.960 0.029 0.000 0.256 469 G HA3 -0.253 3.724 3.960 0.029 0.000 0.256 469 G C 0.345 175.288 174.900 0.071 0.000 0.977 469 G CA 0.084 45.213 45.100 0.047 0.000 0.652 469 G HN 0.950 nan 8.290 nan 0.000 0.531 470 G N -1.202 107.653 108.800 0.092 0.000 2.508 470 G HA2 0.540 4.518 3.960 0.029 0.000 0.278 470 G HA3 0.540 4.518 3.960 0.029 0.000 0.278 470 G C 0.443 175.415 174.900 0.120 0.000 1.389 470 G CA 0.145 45.297 45.100 0.086 0.000 1.050 470 G HN 0.892 nan 8.290 nan 0.000 0.522 471 V N 1.780 121.725 119.914 0.052 0.000 2.071 471 V HA 0.090 4.227 4.120 0.029 0.000 0.254 471 V C 1.122 177.163 176.094 -0.088 0.000 1.456 471 V CA -0.130 62.138 62.300 -0.053 0.000 1.383 471 V CB -1.232 30.582 31.823 -0.016 0.000 1.433 471 V HN 0.625 nan 8.190 nan 0.000 0.499 472 F N 1.645 121.567 119.950 -0.046 0.000 2.269 472 F HA -0.059 4.488 4.527 0.034 0.000 0.301 472 F C 1.989 177.753 175.800 -0.061 0.000 1.082 472 F CA 0.955 58.931 58.000 -0.040 0.000 1.360 472 F CB -0.408 38.577 39.000 -0.025 0.000 1.041 472 F HN 0.190 nan 8.300 nan 0.000 0.512 473 R N 0.765 120.845 120.500 -0.700 0.000 2.280 473 R HA 0.123 4.481 4.340 0.029 0.000 0.207 473 R C 2.044 178.159 176.300 -0.310 0.000 1.043 473 R CA 0.651 56.459 56.100 -0.487 0.000 1.006 473 R CB -0.400 29.551 30.300 -0.582 0.000 0.885 473 R HN 0.468 nan 8.270 nan 0.000 0.467 474 A N 0.653 123.262 122.820 -0.353 0.000 2.251 474 A HA 0.024 4.361 4.320 0.029 0.000 0.209 474 A C 0.438 178.014 177.584 -0.014 0.000 1.187 474 A CA -0.112 51.715 52.037 -0.350 0.000 0.823 474 A CB 0.121 18.595 19.000 -0.876 0.000 0.846 474 A HN 0.244 nan 8.150 nan 0.000 0.486 475 Q N -0.083 119.723 119.800 0.011 0.000 2.330 475 Q HA 0.285 4.642 4.340 0.029 0.000 0.279 475 Q C -0.935 175.118 176.000 0.090 0.000 1.024 475 Q CA 0.161 56.015 55.803 0.085 0.000 0.900 475 Q CB 1.175 29.972 28.738 0.098 0.000 1.221 475 Q HN 0.163 nan 8.270 nan 0.000 0.396 476 V N 5.665 125.648 119.914 0.115 0.000 2.293 476 V HA 0.221 4.359 4.120 0.029 0.000 0.275 476 V C -2.198 173.977 176.094 0.135 0.000 1.021 476 V CA -1.979 60.381 62.300 0.099 0.000 0.815 476 V CB 0.921 32.784 31.823 0.065 0.000 1.025 476 V HN 0.676 nan 8.190 nan 0.000 0.448 477 P HA 0.217 nan 4.420 nan 0.000 0.261 477 P C 1.075 178.417 177.300 0.069 0.000 1.183 477 P CA 1.413 64.550 63.100 0.062 0.000 0.761 477 P CB 0.573 32.297 31.700 0.040 0.000 0.785 478 G N 1.470 110.245 108.800 -0.040 0.000 2.232 478 G HA2 -0.209 3.768 3.960 0.029 0.000 0.226 478 G HA3 -0.209 3.768 3.960 0.029 0.000 0.226 478 G C -0.372 174.273 174.900 -0.424 0.000 0.996 478 G CA -0.434 44.526 45.100 -0.234 0.000 0.626 478 G HN 0.469 nan 8.290 nan 0.000 0.509 479 Y N 0.524 120.759 120.300 -0.108 0.000 2.570 479 Y HA 0.719 5.287 4.550 0.030 0.000 0.345 479 Y C 0.292 176.106 175.900 -0.142 0.000 1.014 479 Y CA -1.174 56.857 58.100 -0.114 0.000 1.063 479 Y CB 1.246 39.697 38.460 -0.014 0.000 1.272 479 Y HN 0.108 nan 8.280 nan 0.000 0.477 480 H N 1.195 120.404 119.070 0.231 0.000 2.668 480 H HA 0.653 5.226 4.556 0.028 0.000 0.303 480 H C -0.519 174.912 175.328 0.173 0.000 1.074 480 H CA -0.311 55.833 56.048 0.161 0.000 1.406 480 H CB 0.982 30.821 29.762 0.128 0.000 1.442 480 H HN 0.771 nan 8.280 nan 0.000 0.482 481 A N 2.424 125.397 122.820 0.254 0.000 2.350 481 A HA 0.856 5.193 4.320 0.029 0.000 0.318 481 A C -0.704 176.935 177.584 0.093 0.000 1.132 481 A CA -0.324 51.841 52.037 0.213 0.000 0.811 481 A CB 1.475 20.654 19.000 0.299 0.000 1.313 481 A HN 0.748 nan 8.150 nan 0.000 0.454 482 A N -0.559 122.206 122.820 -0.091 0.000 2.515 482 A HA 0.963 5.301 4.320 0.029 0.000 0.298 482 A C -0.113 177.192 177.584 -0.464 0.000 1.059 482 A CA 0.024 51.865 52.037 -0.327 0.000 0.698 482 A CB 1.534 20.168 19.000 -0.611 0.000 1.289 482 A HN 2.566 nan 8.150 nan 0.000 0.404 483 G N -0.059 108.537 108.800 -0.341 0.000 2.340 483 G HA2 0.568 4.546 3.960 0.029 0.000 0.299 483 G HA3 0.568 4.546 3.960 0.029 0.000 0.299 483 G C -1.856 172.782 174.900 -0.436 0.000 1.291 483 G CA -0.363 44.441 45.100 -0.493 0.000 0.841 483 G HN 1.010 nan 8.290 nan 0.000 0.500 484 K N -0.014 119.892 120.400 -0.824 0.000 2.535 484 K HA 0.676 5.014 4.320 0.029 0.000 0.251 484 K C 0.038 176.235 176.600 -0.671 0.000 0.942 484 K CA -0.143 55.856 56.287 -0.480 0.000 0.798 484 K CB 1.752 34.139 32.500 -0.190 0.000 1.267 484 K HN 1.029 nan 8.250 nan 0.000 0.434 485 S N 1.120 116.680 115.700 -0.233 0.000 2.652 485 S HA 0.882 5.369 4.470 0.029 0.000 0.270 485 S C 0.203 174.760 174.600 -0.071 0.000 1.243 485 S CA -0.369 57.798 58.200 -0.055 0.000 0.999 485 S CB 1.534 64.791 63.200 0.095 0.000 0.973 485 S HN 0.763 nan 8.310 nan 0.000 0.544 486 G N -0.160 108.631 108.800 -0.015 0.000 2.706 486 G HA2 0.598 4.576 3.960 0.029 0.000 0.297 486 G HA3 0.598 4.576 3.960 0.029 0.000 0.297 486 G C -1.481 173.458 174.900 0.066 0.000 1.403 486 G CA -0.747 44.367 45.100 0.024 0.000 0.954 486 G HN 0.770 nan 8.290 nan 0.000 0.500 487 T N 0.330 114.943 114.554 0.098 0.000 2.949 487 T HA 0.678 5.045 4.350 0.029 0.000 0.300 487 T C -0.240 174.609 174.700 0.249 0.000 0.988 487 T CA -0.233 61.981 62.100 0.191 0.000 0.993 487 T CB 1.565 70.570 68.868 0.227 0.000 0.984 487 T HN 1.121 nan 8.240 nan 0.000 0.442 488 A N 3.094 126.086 122.820 0.287 0.000 2.303 488 A HA 0.752 5.090 4.320 0.029 0.000 0.320 488 A C 0.042 177.825 177.584 0.333 0.000 1.192 488 A CA -0.853 51.357 52.037 0.289 0.000 0.821 488 A CB 0.919 20.058 19.000 0.232 0.000 1.188 488 A HN 0.749 nan 8.150 nan 0.000 0.492 489 R N 2.809 123.493 120.500 0.306 0.000 2.216 489 R HA 0.249 4.606 4.340 0.029 0.000 0.332 489 R C -0.234 176.100 176.300 0.056 0.000 1.056 489 R CA -0.208 55.973 56.100 0.135 0.000 0.901 489 R CB 0.435 30.833 30.300 0.162 0.000 1.039 489 R HN 0.803 nan 8.270 nan 0.000 0.456 502 A N 1.773 124.269 122.820 -0.540 0.000 2.324 502 A HA 0.860 5.198 4.320 0.029 0.000 0.330 502 A C -1.396 175.825 177.584 -0.605 0.000 1.165 502 A CA -0.293 51.487 52.037 -0.427 0.000 0.813 502 A CB 0.783 19.668 19.000 -0.192 0.000 1.197 502 A HN 0.512 nan 8.150 nan 0.000 0.484 503 Y N -0.109 120.162 120.300 -0.047 0.000 2.602 503 Y HA 0.725 5.275 4.550 -0.000 0.000 0.342 503 Y C 0.350 176.271 175.900 0.036 0.000 1.029 503 Y CA -0.726 57.380 58.100 0.010 0.000 1.080 503 Y CB 1.920 40.400 38.460 0.032 0.000 1.284 503 Y HN 0.746 nan 8.280 nan 0.000 0.485 504 R N 0.953 121.598 120.500 0.242 0.000 2.480 504 R HA 0.578 4.935 4.340 0.029 0.000 0.306 504 R C -1.199 175.182 176.300 0.134 0.000 0.958 504 R CA -0.507 55.663 56.100 0.116 0.000 0.861 504 R CB 1.466 31.790 30.300 0.041 0.000 1.171 504 R HN 0.718 nan 8.270 nan 0.000 0.445 505 S N 5.991 121.740 115.700 0.083 0.000 2.429 505 S HA 0.517 5.005 4.470 0.029 0.000 0.302 505 S C -0.591 174.019 174.600 0.017 0.000 1.115 505 S CA -0.659 57.591 58.200 0.083 0.000 1.095 505 S CB 0.486 63.736 63.200 0.084 0.000 0.987 505 S HN 0.520 nan 8.310 nan 0.000 0.474 506 L N 4.313 125.555 121.223 0.031 0.000 2.341 506 L HA 0.744 5.102 4.340 0.029 0.000 0.267 506 L C -1.069 175.833 176.870 0.053 0.000 1.009 506 L CA -0.983 53.855 54.840 -0.003 0.000 0.819 506 L CB 1.941 43.987 42.059 -0.022 0.000 1.323 506 L HN 0.750 nan 8.230 nan 0.000 0.425 507 F N 1.472 121.346 119.950 -0.127 0.000 2.588 507 F HA 0.752 5.294 4.527 0.024 0.000 0.314 507 F C -1.029 174.616 175.800 -0.259 0.000 1.134 507 F CA -0.362 57.511 58.000 -0.210 0.000 0.961 507 F CB 1.816 40.677 39.000 -0.231 0.000 1.239 507 F HN 0.484 nan 8.300 nan 0.000 0.448 508 A N 3.581 125.712 122.820 -1.148 0.000 2.393 508 A HA 0.966 5.303 4.320 0.029 0.000 0.306 508 A C -0.701 176.180 177.584 -1.173 0.000 1.050 508 A CA -0.043 51.396 52.037 -0.997 0.000 0.724 508 A CB 1.458 19.626 19.000 -1.387 0.000 1.248 508 A HN 1.491 nan 8.150 nan 0.000 0.424 509 G N -0.097 108.427 108.800 -0.459 0.000 2.490 509 G HA2 0.796 4.773 3.960 0.029 0.000 0.308 509 G HA3 0.796 4.773 3.960 0.029 0.000 0.308 509 G C -1.250 173.910 174.900 0.433 0.000 1.286 509 G CA 0.099 45.109 45.100 -0.150 0.000 0.825 509 G HN 1.813 nan 8.290 nan 0.000 0.479 510 F N -2.387 117.824 119.950 0.436 0.000 2.713 510 F HA 0.949 5.494 4.527 0.029 0.000 0.311 510 F C -0.293 175.681 175.800 0.290 0.000 1.141 510 F CA -1.078 57.119 58.000 0.328 0.000 0.939 510 F CB 1.437 40.573 39.000 0.227 0.000 1.325 510 F HN 1.472 nan 8.300 nan 0.000 0.453 511 A N 0.620 123.683 122.820 0.405 0.000 2.601 511 A HA 0.874 5.212 4.320 0.029 0.000 0.291 511 A C -3.423 174.269 177.584 0.180 0.000 1.075 511 A CA -1.751 50.435 52.037 0.249 0.000 0.671 511 A CB 1.494 20.536 19.000 0.070 0.000 1.277 511 A HN 0.487 nan 8.150 nan 0.000 0.417 512 P HA 0.433 nan 4.420 nan 0.000 0.279 512 P C 0.811 178.288 177.300 0.295 0.000 1.239 512 P CA 0.383 63.639 63.100 0.260 0.000 0.789 512 P CB 1.286 33.177 31.700 0.318 0.000 0.933 513 A N 2.615 125.624 122.820 0.316 0.000 2.024 513 A HA -0.192 4.145 4.320 0.029 0.000 0.220 513 A C 1.887 179.594 177.584 0.203 0.000 1.164 513 A CA 2.492 54.701 52.037 0.286 0.000 0.643 513 A CB -1.920 17.207 19.000 0.212 0.000 0.806 513 A HN 0.642 nan 8.150 nan 0.000 0.451 514 T N -3.495 111.177 114.554 0.195 0.000 2.951 514 T HA -0.001 4.366 4.350 0.029 0.000 0.268 514 T C 0.448 175.214 174.700 0.111 0.000 1.073 514 T CA 1.327 63.507 62.100 0.134 0.000 1.134 514 T CB -0.056 68.900 68.868 0.145 0.000 0.884 514 T HN 0.349 nan 8.240 nan 0.000 0.479 515 D N 1.292 121.768 120.400 0.128 0.000 2.634 515 D HA 0.330 4.987 4.640 0.029 0.000 0.236 515 D C -3.257 173.108 176.300 0.108 0.000 1.323 515 D CA -1.914 52.142 54.000 0.093 0.000 0.884 515 D CB 1.247 42.094 40.800 0.078 0.000 1.496 515 D HN 0.023 nan 8.370 nan 0.000 0.525 516 P HA 0.152 nan 4.420 nan 0.000 0.264 516 P C 0.580 177.927 177.300 0.080 0.000 1.183 516 P CA -0.118 63.059 63.100 0.129 0.000 0.763 516 P CB 0.923 32.651 31.700 0.047 0.000 0.807 517 R N 2.124 122.682 120.500 0.096 0.000 2.276 517 R HA 0.366 4.724 4.340 0.029 0.000 0.195 517 R C 0.526 176.864 176.300 0.062 0.000 0.908 517 R CA 0.509 56.646 56.100 0.062 0.000 1.083 517 R CB 0.337 30.667 30.300 0.050 0.000 1.182 517 R HN 0.435 nan 8.270 nan 0.000 0.608 518 I N 0.657 121.281 120.570 0.090 0.000 2.545 518 I HA 0.457 4.644 4.170 0.029 0.000 0.292 518 I C -0.693 175.536 176.117 0.188 0.000 1.040 518 I CA -1.058 60.297 61.300 0.090 0.000 1.068 518 I CB 2.250 40.263 38.000 0.021 0.000 1.251 518 I HN -0.072 nan 8.210 nan 0.000 0.424 519 A N 7.075 130.013 122.820 0.197 0.000 2.340 519 A HA 0.948 5.285 4.320 0.029 0.000 0.331 519 A C -0.784 176.935 177.584 0.226 0.000 1.140 519 A CA -0.584 51.633 52.037 0.299 0.000 0.801 519 A CB 1.853 21.030 19.000 0.294 0.000 1.234 519 A HN 0.797 nan 8.150 nan 0.000 0.469 520 M N 2.220 121.985 119.600 0.274 0.000 2.421 520 M HA 0.592 5.090 4.480 0.029 0.000 0.287 520 M C -2.212 174.207 176.300 0.199 0.000 1.183 520 M CA -0.482 54.948 55.300 0.216 0.000 0.916 520 M CB 2.160 34.878 32.600 0.196 0.000 1.701 520 M HN 0.443 nan 8.290 nan 0.000 0.470 521 V N 4.153 124.145 119.914 0.130 0.000 2.588 521 V HA 0.632 4.769 4.120 0.029 0.000 0.304 521 V C -1.060 175.088 176.094 0.090 0.000 1.042 521 V CA -0.643 61.696 62.300 0.066 0.000 0.877 521 V CB 2.189 34.043 31.823 0.051 0.000 0.996 521 V HN 0.677 nan 8.190 nan 0.000 0.425 522 V N 5.577 125.545 119.914 0.090 0.000 2.407 522 V HA 0.548 4.685 4.120 0.029 0.000 0.291 522 V C -0.499 175.587 176.094 -0.012 0.000 1.018 522 V CA -0.568 61.772 62.300 0.067 0.000 0.842 522 V CB 1.882 33.781 31.823 0.127 0.000 0.996 522 V HN 0.580 nan 8.190 nan 0.000 0.426 523 V N 6.640 126.507 119.914 -0.079 0.000 2.407 523 V HA 0.541 4.678 4.120 0.029 0.000 0.291 523 V C -0.368 175.648 176.094 -0.129 0.000 1.018 523 V CA -0.360 61.822 62.300 -0.197 0.000 0.842 523 V CB 1.832 33.400 31.823 -0.425 0.000 0.996 523 V HN 0.713 nan 8.190 nan 0.000 0.426 524 I N 3.593 124.109 120.570 -0.090 0.000 2.389 524 I HA 0.403 4.590 4.170 0.029 0.000 0.288 524 I C -0.708 175.389 176.117 -0.033 0.000 0.999 524 I CA -0.360 60.914 61.300 -0.043 0.000 1.129 524 I CB 1.905 39.899 38.000 -0.011 0.000 1.288 524 I HN 0.512 nan 8.210 nan 0.000 0.444 525 D N 7.031 127.413 120.400 -0.030 0.000 2.280 525 D HA 0.173 4.830 4.640 0.029 0.000 0.243 525 D C -0.180 176.130 176.300 0.017 0.000 1.129 525 D CA 0.221 54.213 54.000 -0.013 0.000 0.848 525 D CB 0.657 41.443 40.800 -0.023 0.000 1.107 525 D HN 0.514 nan 8.370 nan 0.000 0.471 526 E N 1.689 121.915 120.200 0.043 0.000 2.246 526 E HA -0.144 4.224 4.350 0.029 0.000 0.211 526 E C -2.129 174.507 176.600 0.061 0.000 1.278 526 E CA -0.075 56.356 56.400 0.052 0.000 0.694 526 E CB -1.130 28.581 29.700 0.018 0.000 1.166 526 E HN 0.454 nan 8.360 nan 0.000 0.370 527 P HA -0.049 nan 4.420 nan 0.000 0.268 527 P C 0.470 177.822 177.300 0.087 0.000 1.205 527 P CA 0.303 63.450 63.100 0.078 0.000 0.771 527 P CB 1.165 32.921 31.700 0.093 0.000 0.858 528 S N 0.794 116.529 115.700 0.057 0.000 2.629 528 S HA 0.190 4.677 4.470 0.029 0.000 0.236 528 S C 0.505 175.132 174.600 0.044 0.000 1.010 528 S CA -0.333 57.896 58.200 0.049 0.000 0.981 528 S CB 0.031 63.248 63.200 0.029 0.000 0.919 528 S HN 0.279 nan 8.310 nan 0.000 0.514 529 K N 0.470 120.896 120.400 0.044 0.000 2.240 529 K HA 0.708 5.045 4.320 0.029 0.000 0.237 529 K C 1.445 178.068 176.600 0.039 0.000 1.027 529 K CA -0.129 56.175 56.287 0.028 0.000 0.937 529 K CB 0.499 33.005 32.500 0.009 0.000 1.171 529 K HN 0.082 nan 8.250 nan 0.000 0.479 530 A N 1.015 123.842 122.820 0.011 0.000 1.903 530 A HA -0.122 4.215 4.320 0.029 0.000 0.219 530 A C 1.178 178.732 177.584 -0.050 0.000 1.191 530 A CA 2.042 54.077 52.037 -0.005 0.000 0.638 530 A CB -1.159 17.820 19.000 -0.036 0.000 0.823 530 A HN 0.722 nan 8.150 nan 0.000 0.451 531 G N -1.989 106.746 108.800 -0.107 0.000 2.355 531 G HA2 0.418 4.395 3.960 0.029 0.000 0.276 531 G HA3 0.418 4.395 3.960 0.029 0.000 0.276 531 G C 0.086 174.889 174.900 -0.162 0.000 1.198 531 G CA 0.341 45.291 45.100 -0.251 0.000 0.876 531 G HN 0.761 nan 8.290 nan 0.000 0.478 532 Y N 0.853 120.958 120.300 -0.324 0.000 2.476 532 Y HA 0.469 5.027 4.550 0.012 0.000 0.261 532 Y C 0.101 175.929 175.900 -0.121 0.000 1.077 532 Y CA -1.388 56.569 58.100 -0.238 0.000 1.240 532 Y CB 0.041 38.283 38.460 -0.363 0.000 1.317 532 Y HN 0.230 nan 8.280 nan 0.000 0.540 533 F N 2.631 122.292 119.950 -0.482 0.000 2.563 533 F HA 0.385 4.932 4.527 0.033 0.000 0.363 533 F C 1.859 177.580 175.800 -0.131 0.000 1.123 533 F CA -0.129 57.698 58.000 -0.287 0.000 1.307 533 F CB 0.650 39.457 39.000 -0.321 0.000 1.115 533 F HN 0.253 nan 8.300 nan 0.000 0.592 534 G N 1.784 110.667 108.800 0.139 0.000 2.469 534 G HA2 -0.222 3.756 3.960 0.029 0.000 0.220 534 G HA3 -0.222 3.756 3.960 0.029 0.000 0.220 534 G C 1.723 176.657 174.900 0.056 0.000 1.136 534 G CA 0.794 45.947 45.100 0.088 0.000 0.759 534 G HN 0.904 nan 8.290 nan 0.000 0.562 535 G N -0.131 108.687 108.800 0.030 0.000 2.598 535 G HA2 0.079 4.056 3.960 0.029 0.000 0.215 535 G HA3 0.079 4.056 3.960 0.029 0.000 0.215 535 G C 1.541 176.349 174.900 -0.153 0.000 1.131 535 G CA 0.924 45.984 45.100 -0.067 0.000 0.785 535 G HN 0.419 nan 8.290 nan 0.000 0.539 536 L N -0.258 120.912 121.223 -0.089 0.000 2.362 536 L HA 0.350 4.707 4.340 0.029 0.000 0.204 536 L C 2.587 179.390 176.870 -0.111 0.000 1.060 536 L CA 1.115 55.878 54.840 -0.129 0.000 0.827 536 L CB -0.083 41.904 42.059 -0.120 0.000 1.027 536 L HN -0.010 nan 8.230 nan 0.000 0.474 537 V N -1.243 118.632 119.914 -0.066 0.000 2.426 537 V HA -0.019 4.119 4.120 0.029 0.000 0.242 537 V C 2.247 178.318 176.094 -0.038 0.000 1.036 537 V CA 1.683 63.958 62.300 -0.041 0.000 1.044 537 V CB 0.042 31.862 31.823 -0.004 0.000 0.688 537 V HN 0.401 nan 8.190 nan 0.000 0.462 538 S N -0.092 115.595 115.700 -0.022 0.000 2.456 538 S HA 0.170 4.657 4.470 0.029 0.000 0.224 538 S C 2.157 176.721 174.600 -0.060 0.000 1.035 538 S CA 0.801 59.003 58.200 0.003 0.000 0.940 538 S CB 0.020 63.261 63.200 0.068 0.000 0.799 538 S HN 0.539 nan 8.310 nan 0.000 0.508 539 A N 2.892 125.579 122.820 -0.222 0.000 1.908 539 A HA -0.054 4.283 4.320 0.029 0.000 0.218 539 A C -0.225 177.160 177.584 -0.333 0.000 1.181 539 A CA 1.591 53.267 52.037 -0.603 0.000 0.627 539 A CB -1.808 16.749 19.000 -0.739 0.000 0.818 539 A HN 0.403 nan 8.150 nan 0.000 0.445 540 P HA -0.074 nan 4.420 nan 0.000 0.218 540 P C 1.577 178.838 177.300 -0.066 0.000 1.149 540 P CA 1.266 64.289 63.100 -0.130 0.000 0.817 540 P CB -0.253 31.380 31.700 -0.111 0.000 0.785 541 V N -0.380 119.510 119.914 -0.040 0.000 2.307 541 V HA -0.224 3.913 4.120 0.029 0.000 0.245 541 V C 2.331 178.438 176.094 0.023 0.000 1.045 541 V CA 1.701 63.997 62.300 -0.007 0.000 1.024 541 V CB -1.552 30.276 31.823 0.009 0.000 0.651 541 V HN -0.013 nan 8.190 nan 0.000 0.449 542 F N 1.346 121.230 119.950 -0.110 0.000 2.065 542 F HA -0.280 4.262 4.527 0.025 0.000 0.298 542 F C 2.776 178.512 175.800 -0.106 0.000 1.112 542 F CA 2.134 60.084 58.000 -0.083 0.000 1.212 542 F CB -0.559 38.375 39.000 -0.110 0.000 0.975 542 F HN 0.115 nan 8.300 nan 0.000 0.476 543 S N -0.044 115.683 115.700 0.045 0.000 2.359 543 S HA -0.245 4.242 4.470 0.029 0.000 0.224 543 S C 2.123 176.652 174.600 -0.117 0.000 1.035 543 S CA 1.821 59.991 58.200 -0.050 0.000 1.018 543 S CB -0.419 62.774 63.200 -0.012 0.000 0.876 543 S HN 0.523 nan 8.310 nan 0.000 0.448 544 K N 0.147 120.498 120.400 -0.081 0.000 2.026 544 K HA -0.043 4.294 4.320 0.029 0.000 0.208 544 K C 2.108 178.653 176.600 -0.092 0.000 1.048 544 K CA 1.614 57.861 56.287 -0.067 0.000 0.929 544 K CB -0.417 32.057 32.500 -0.043 0.000 0.713 544 K HN 0.281 nan 8.250 nan 0.000 0.439 545 V N 1.167 121.012 119.914 -0.116 0.000 2.358 545 V HA -0.231 3.906 4.120 0.029 0.000 0.246 545 V C 2.270 178.247 176.094 -0.194 0.000 1.047 545 V CA 1.491 63.718 62.300 -0.121 0.000 1.035 545 V CB -0.330 31.441 31.823 -0.088 0.000 0.658 545 V HN 0.308 nan 8.190 nan 0.000 0.452 546 M N 0.986 120.381 119.600 -0.342 0.000 2.117 546 M HA -0.064 4.434 4.480 0.029 0.000 0.262 546 M C 2.092 178.209 176.300 -0.304 0.000 1.065 546 M CA 2.077 57.123 55.300 -0.424 0.000 1.114 546 M CB -0.839 31.316 32.600 -0.742 0.000 1.361 546 M HN 0.269 nan 8.290 nan 0.000 0.408 547 A N -0.682 122.010 122.820 -0.213 0.000 1.908 547 A HA -0.033 4.305 4.320 0.029 0.000 0.218 547 A C 2.335 179.871 177.584 -0.079 0.000 1.181 547 A CA 1.947 53.917 52.037 -0.112 0.000 0.627 547 A CB -1.734 17.244 19.000 -0.037 0.000 0.818 547 A HN 0.604 nan 8.150 nan 0.000 0.445 548 G N -1.005 107.751 108.800 -0.074 0.000 2.396 548 G HA2 0.124 4.102 3.960 0.029 0.000 0.214 548 G HA3 0.124 4.102 3.960 0.029 0.000 0.214 548 G C 1.730 176.601 174.900 -0.049 0.000 1.166 548 G CA 1.212 46.289 45.100 -0.039 0.000 0.793 548 G HN 0.776 nan 8.290 nan 0.000 0.533 549 A N 0.660 123.428 122.820 -0.086 0.000 1.902 549 A HA 0.116 4.453 4.320 0.029 0.000 0.217 549 A C 2.406 179.935 177.584 -0.091 0.000 1.181 549 A CA 1.145 53.135 52.037 -0.078 0.000 0.623 549 A CB -0.401 18.543 19.000 -0.093 0.000 0.818 549 A HN 0.339 nan 8.150 nan 0.000 0.443 550 L N -1.144 119.976 121.223 -0.172 0.000 2.083 550 L HA -0.169 4.189 4.340 0.029 0.000 0.209 550 L C 2.839 179.685 176.870 -0.041 0.000 1.083 550 L CA 1.363 56.084 54.840 -0.199 0.000 0.752 550 L CB -0.396 41.305 42.059 -0.597 0.000 0.899 550 L HN 0.339 nan 8.230 nan 0.000 0.433 551 R N -0.245 120.254 120.500 -0.003 0.000 2.090 551 R HA -0.045 4.312 4.340 0.029 0.000 0.228 551 R C 2.270 178.593 176.300 0.038 0.000 1.110 551 R CA 0.889 57.027 56.100 0.064 0.000 0.973 551 R CB -0.250 30.095 30.300 0.074 0.000 0.869 551 R HN 0.305 nan 8.270 nan 0.000 0.440 552 L N 0.135 121.368 121.223 0.016 0.000 2.131 552 L HA -0.103 4.255 4.340 0.029 0.000 0.210 552 L C 2.089 178.971 176.870 0.020 0.000 1.092 552 L CA 1.166 56.017 54.840 0.020 0.000 0.759 552 L CB -0.125 41.944 42.059 0.017 0.000 0.903 552 L HN 0.217 nan 8.230 nan 0.000 0.435 553 M N -0.612 118.996 119.600 0.014 0.000 2.495 553 M HA 0.072 4.569 4.480 0.029 0.000 0.237 553 M C 0.022 176.342 176.300 0.033 0.000 1.131 553 M CA 0.064 55.374 55.300 0.017 0.000 1.032 553 M CB 0.207 32.810 32.600 0.005 0.000 1.513 553 M HN 0.192 nan 8.290 nan 0.000 0.488 554 N N 0.360 119.087 118.700 0.045 0.000 2.721 554 N HA -0.124 4.633 4.740 0.029 0.000 0.249 554 N C -0.870 174.688 175.510 0.079 0.000 1.072 554 N CA 0.356 53.442 53.050 0.059 0.000 0.710 554 N CB -1.782 36.731 38.487 0.043 0.000 0.993 554 N HN 0.175 nan 8.380 nan 0.000 0.547 555 V N 1.224 121.201 119.914 0.105 0.000 2.508 555 V HA 0.177 4.314 4.120 0.029 0.000 0.281 555 V C -1.578 174.649 176.094 0.222 0.000 1.041 555 V CA -0.982 61.406 62.300 0.146 0.000 1.016 555 V CB 0.823 32.722 31.823 0.127 0.000 0.984 555 V HN 0.035 nan 8.190 nan 0.000 0.478 556 P HA 0.227 nan 4.420 nan 0.000 0.267 556 P C -2.601 174.721 177.300 0.036 0.000 1.205 556 P CA -1.243 61.907 63.100 0.084 0.000 0.765 556 P CB -0.191 31.538 31.700 0.050 0.000 0.828 557 P HA -0.007 nan 4.420 nan 0.000 0.264 557 P C 0.312 177.407 177.300 -0.342 0.000 1.193 557 P CA 0.430 63.084 63.100 -0.743 0.000 0.763 557 P CB 0.329 31.608 31.700 -0.703 0.000 0.810 558 D N 1.248 121.491 120.400 -0.261 0.000 2.398 558 D HA -0.059 4.599 4.640 0.029 0.000 0.210 558 D C -0.032 176.201 176.300 -0.112 0.000 1.094 558 D CA 0.081 54.057 54.000 -0.041 0.000 0.839 558 D CB -0.676 40.220 40.800 0.159 0.000 0.963 558 D HN 0.306 nan 8.370 nan 0.000 0.506 559 N N 0.929 119.429 118.700 -0.333 0.000 2.968 559 N HA 0.204 4.961 4.740 0.029 0.000 0.271 559 N C -0.744 174.672 175.510 -0.157 0.000 1.174 559 N CA -0.205 52.593 53.050 -0.420 0.000 1.096 559 N CB 0.168 38.368 38.487 -0.479 0.000 1.403 559 N HN 0.103 nan 8.380 nan 0.000 0.522 560 L N 2.017 123.220 121.223 -0.035 0.000 2.303 560 L HA 0.632 4.989 4.340 0.029 0.000 0.266 560 L C -1.386 175.500 176.870 0.027 0.000 1.011 560 L CA -1.630 53.203 54.840 -0.010 0.000 0.818 560 L CB 1.097 43.154 42.059 -0.003 0.000 1.326 560 L HN 0.420 nan 8.230 nan 0.000 0.435 561 P HA 0.000 nan 4.420 nan 0.000 0.216 561 P CA 0.000 63.112 63.100 0.020 0.000 0.800 561 P CB 0.000 31.705 31.700 0.008 0.000 0.726