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 1tu5_1_B DATA FIRST_RESID 57 DATA SEQUENCE QLFADLSREE LTTVMSFLTQ QLGPDLVDAA QARPSDNCVF SVELQLPPKA DATA SEQUENCE AALAHLDRGS PPPAREALAI VFFGGQPQPN VTELVVGPLP QPSYMRDVTV DATA SEQUENCE ERHGGPLPYY RRPVLLREYL DIDQMIFNRE LPQAAGVLHH CCSYKQGGQK DATA SEQUENCE LLTMNSAPRG VQSGDRSTWF GIYYNITKGG PYLHPVGLEL LVDHKALDPA DATA SEQUENCE DWTVQKVFFQ GRYYENLAQL EEQFEAGQVN VVVIPDXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXRFSVQG NRVASSLWTF SFGLGAFSGP RVFDVRFQGE DATA SEQUENCE RLAYEISLQE AGAVYGGNTP AAMLTRYMDS GFGMGYFATP LIRGVDcPYL DATA SEQUENCE ATYMDWHFVV ESQTPKTLHD AFcVFEQNKG LPLRRHHSDF LSHYFGGVAQ DATA SEQUENCE TVLVFRSVST MLNXDYVWDM VFYPNGAIEV KLHATGYISS AFLFGAARRY DATA SEQUENCE GNQVGEHTLG PVHTHSAHYK VDLDVGGLEN WVWAEDMAFV PTAIPWSPEH DATA SEQUENCE QIQRLQVTRK QLETEEQAAF PLGGASPRYL YLASKQSNKW GHPRGYRIQT DATA SEQUENCE VSFAGGPMPQ NSPMERAFSW GRYQLAITQR KETEPSSSSV FNQNDPWTPT DATA SEQUENCE VDFSDFINNE TIAGKDLVAW VTAGFLHIPH AEDIPNTVTV GNGVGFFLRP DATA SEQUENCE YNFFDQEPSM D 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 57 Q HA 0.000 nan 4.340 nan 0.000 0.214 57 Q C 0.000 175.911 176.000 -0.149 0.000 1.003 57 Q CA 0.000 55.762 55.803 -0.068 0.000 1.022 57 Q CB 0.000 28.704 28.738 -0.056 0.000 1.108 58 L N -2.679 118.373 121.223 -0.285 0.000 2.591 58 L HA 0.326 4.668 4.340 0.004 0.000 0.228 58 L C 0.313 176.872 176.870 -0.519 0.000 1.133 58 L CA 0.649 55.229 54.840 -0.433 0.000 0.880 58 L CB -0.103 41.621 42.059 -0.558 0.000 1.033 58 L HN 0.249 nan 8.230 nan 0.000 0.450 59 F N 1.329 121.165 119.950 -0.191 0.000 2.682 59 F HA 0.500 5.030 4.527 0.004 0.000 0.308 59 F C 1.603 177.289 175.800 -0.191 0.000 1.093 59 F CA -0.673 57.135 58.000 -0.321 0.000 1.244 59 F CB -0.134 38.608 39.000 -0.431 0.000 1.052 59 F HN 0.037 nan 8.300 nan 0.000 0.573 60 A N 0.357 123.175 122.820 -0.004 0.000 2.462 60 A HA 0.203 4.526 4.320 0.004 0.000 0.243 60 A C 0.159 177.761 177.584 0.031 0.000 1.076 60 A CA -0.443 51.574 52.037 -0.032 0.000 0.773 60 A CB -0.031 18.926 19.000 -0.072 0.000 1.010 60 A HN 0.074 nan 8.150 nan 0.000 0.493 61 D N 1.013 121.474 120.400 0.103 0.000 2.423 61 D HA 0.169 4.811 4.640 0.004 0.000 0.238 61 D C 0.511 176.873 176.300 0.104 0.000 1.142 61 D CA 0.333 54.447 54.000 0.190 0.000 0.884 61 D CB 0.404 41.442 40.800 0.397 0.000 1.199 61 D HN 0.438 nan 8.370 nan 0.000 0.438 62 L N 1.391 122.658 121.223 0.072 0.000 2.514 62 L HA -0.041 4.301 4.340 0.004 0.000 0.280 62 L C 1.311 178.168 176.870 -0.021 0.000 1.223 62 L CA 0.184 55.026 54.840 0.004 0.000 0.864 62 L CB 0.121 42.172 42.059 -0.014 0.000 1.118 62 L HN 0.421 nan 8.230 nan 0.000 0.494 63 S N 2.616 118.271 115.700 -0.074 0.000 2.669 63 S HA 0.256 4.728 4.470 0.004 0.000 0.270 63 S C 0.910 175.374 174.600 -0.228 0.000 1.225 63 S CA -0.748 57.349 58.200 -0.172 0.000 0.991 63 S CB 1.591 64.690 63.200 -0.168 0.000 0.987 63 S HN 0.663 nan 8.310 nan 0.000 0.552 64 R N 0.768 121.025 120.500 -0.404 0.000 2.119 64 R HA -0.196 4.146 4.340 0.004 0.000 0.246 64 R C 2.236 178.429 176.300 -0.178 0.000 1.146 64 R CA 2.327 58.252 56.100 -0.292 0.000 0.962 64 R CB -0.641 29.455 30.300 -0.340 0.000 0.863 64 R HN 0.926 nan 8.270 nan 0.000 0.442 65 E N 0.008 120.110 120.200 -0.162 0.000 2.072 65 E HA -0.204 4.148 4.350 0.004 0.000 0.191 65 E C 1.509 178.051 176.600 -0.096 0.000 0.985 65 E CA 1.437 57.771 56.400 -0.110 0.000 0.801 65 E CB 0.016 29.659 29.700 -0.095 0.000 0.750 65 E HN 0.553 nan 8.360 nan 0.000 0.452 66 E N 0.206 120.344 120.200 -0.102 0.000 2.106 66 E HA -0.165 4.187 4.350 0.004 0.000 0.192 66 E C 2.110 178.660 176.600 -0.083 0.000 0.984 66 E CA 0.476 56.822 56.400 -0.090 0.000 0.806 66 E CB 0.035 29.683 29.700 -0.087 0.000 0.750 66 E HN 0.198 nan 8.360 nan 0.000 0.458 67 L N 0.915 122.082 121.223 -0.094 0.000 2.046 67 L HA -0.158 4.184 4.340 0.004 0.000 0.208 67 L C 2.332 179.154 176.870 -0.079 0.000 1.077 67 L CA 1.837 56.622 54.840 -0.093 0.000 0.747 67 L CB -1.086 40.896 42.059 -0.129 0.000 0.896 67 L HN 0.119 nan 8.230 nan 0.000 0.432 68 T N -1.441 113.065 114.554 -0.080 0.000 2.777 68 T HA -0.148 4.204 4.350 0.004 0.000 0.266 68 T C 1.808 176.489 174.700 -0.032 0.000 1.040 68 T CA 1.729 63.794 62.100 -0.059 0.000 1.141 68 T CB -0.204 68.628 68.868 -0.060 0.000 0.868 68 T HN 0.350 nan 8.240 nan 0.000 0.444 69 T N 1.961 116.492 114.554 -0.038 0.000 2.652 69 T HA -0.097 4.255 4.350 0.004 0.000 0.267 69 T C 2.177 176.885 174.700 0.013 0.000 1.039 69 T CA 1.150 63.238 62.100 -0.020 0.000 1.153 69 T CB -0.622 68.212 68.868 -0.056 0.000 0.863 69 T HN 0.134 nan 8.240 nan 0.000 0.428 70 V N 1.171 121.076 119.914 -0.015 0.000 2.332 70 V HA -0.213 3.909 4.120 0.004 0.000 0.248 70 V C 2.476 178.624 176.094 0.090 0.000 1.055 70 V CA 1.783 64.097 62.300 0.024 0.000 1.038 70 V CB -0.599 31.218 31.823 -0.011 0.000 0.651 70 V HN 0.360 nan 8.190 nan 0.000 0.450 71 M N 0.095 119.716 119.600 0.036 0.000 2.086 71 M HA -0.149 4.333 4.480 0.004 0.000 0.261 71 M C 2.389 178.721 176.300 0.053 0.000 1.067 71 M CA 1.932 57.250 55.300 0.030 0.000 1.116 71 M CB -0.681 31.911 32.600 -0.013 0.000 1.348 71 M HN 0.289 nan 8.290 nan 0.000 0.407 72 S N -0.433 115.301 115.700 0.055 0.000 2.370 72 S HA -0.175 4.298 4.470 0.004 0.000 0.226 72 S C 1.785 176.442 174.600 0.094 0.000 1.033 72 S CA 1.574 59.809 58.200 0.058 0.000 1.011 72 S CB -0.704 62.528 63.200 0.054 0.000 0.852 72 S HN 0.583 nan 8.310 nan 0.000 0.457 73 F N 1.751 121.689 119.950 -0.020 0.000 2.171 73 F HA -0.037 4.493 4.527 0.005 0.000 0.300 73 F C 1.806 177.609 175.800 0.004 0.000 1.090 73 F CA 1.104 59.096 58.000 -0.014 0.000 1.293 73 F CB -0.132 38.850 39.000 -0.031 0.000 1.013 73 F HN 0.109 nan 8.300 nan 0.000 0.486 74 L N -0.784 120.515 121.223 0.126 0.000 2.056 74 L HA -0.197 4.146 4.340 0.004 0.000 0.207 74 L C 2.323 179.184 176.870 -0.015 0.000 1.078 74 L CA 1.647 56.518 54.840 0.051 0.000 0.749 74 L CB -1.014 41.099 42.059 0.091 0.000 0.901 74 L HN 0.083 nan 8.230 nan 0.000 0.433 75 T N -1.094 113.455 114.554 -0.007 0.000 2.746 75 T HA -0.269 4.083 4.350 0.004 0.000 0.267 75 T C 1.783 176.457 174.700 -0.043 0.000 1.039 75 T CA 1.518 63.611 62.100 -0.012 0.000 1.142 75 T CB -0.138 68.729 68.868 -0.003 0.000 0.866 75 T HN 0.381 nan 8.240 nan 0.000 0.444 76 Q N 0.276 120.023 119.800 -0.087 0.000 2.046 76 Q HA -0.137 4.206 4.340 0.004 0.000 0.200 76 Q C 2.256 178.152 176.000 -0.173 0.000 0.975 76 Q CA 1.062 56.790 55.803 -0.125 0.000 0.836 76 Q CB -0.002 28.643 28.738 -0.155 0.000 0.896 76 Q HN 0.352 nan 8.270 nan 0.000 0.428 77 Q N 0.193 119.820 119.800 -0.288 0.000 2.245 77 Q HA 0.098 4.441 4.340 0.004 0.000 0.201 77 Q C 0.429 176.369 176.000 -0.099 0.000 0.955 77 Q CA 0.407 56.049 55.803 -0.268 0.000 0.870 77 Q CB 0.134 28.576 28.738 -0.493 0.000 0.945 77 Q HN 0.390 nan 8.270 nan 0.000 0.461 78 L N 1.217 122.418 121.223 -0.036 0.000 2.385 78 L HA 0.125 4.467 4.340 0.004 0.000 0.281 78 L C 1.586 178.484 176.870 0.047 0.000 1.106 78 L CA -0.349 54.525 54.840 0.056 0.000 0.856 78 L CB 0.744 42.875 42.059 0.119 0.000 1.186 78 L HN 0.138 nan 8.230 nan 0.000 0.453 79 G N 4.784 113.608 108.800 0.040 0.000 2.453 79 G HA2 -0.106 3.857 3.960 0.004 0.000 0.215 79 G HA3 -0.106 3.857 3.960 0.004 0.000 0.215 79 G C -1.210 173.720 174.900 0.049 0.000 1.201 79 G CA 0.139 45.254 45.100 0.025 0.000 0.784 79 G HN 0.531 nan 8.290 nan 0.000 0.545 80 P HA 0.111 nan 4.420 nan 0.000 0.263 80 P C -0.605 176.766 177.300 0.118 0.000 1.195 80 P CA -0.176 62.989 63.100 0.108 0.000 0.762 80 P CB 0.755 32.559 31.700 0.173 0.000 0.799 81 D N 2.587 123.037 120.400 0.084 0.000 2.648 81 D HA -0.029 4.614 4.640 0.004 0.000 0.229 81 D C -0.374 175.977 176.300 0.085 0.000 1.119 81 D CA 0.671 54.714 54.000 0.070 0.000 0.850 81 D CB 0.254 41.088 40.800 0.057 0.000 1.169 81 D HN 0.230 nan 8.370 nan 0.000 0.489 82 L N 3.190 124.452 121.223 0.065 0.000 2.330 82 L HA 0.627 4.969 4.340 0.004 0.000 0.271 82 L C -0.459 176.441 176.870 0.050 0.000 1.013 82 L CA -1.203 53.672 54.840 0.058 0.000 0.816 82 L CB 1.912 43.995 42.059 0.041 0.000 1.287 82 L HN 0.215 nan 8.230 nan 0.000 0.435 83 V N 0.195 120.141 119.914 0.054 0.000 2.823 83 V HA 0.217 4.339 4.120 0.004 0.000 0.312 83 V C -0.611 175.512 176.094 0.049 0.000 1.072 83 V CA -0.798 61.536 62.300 0.056 0.000 0.937 83 V CB 2.231 34.099 31.823 0.075 0.000 1.013 83 V HN 0.686 nan 8.190 nan 0.000 0.430 84 D N 2.711 123.138 120.400 0.044 0.000 2.472 84 D HA 0.133 4.775 4.640 0.004 0.000 0.248 84 D C 1.091 177.427 176.300 0.060 0.000 1.174 84 D CA 0.643 54.666 54.000 0.038 0.000 0.883 84 D CB 1.817 42.638 40.800 0.036 0.000 1.149 84 D HN 0.679 nan 8.370 nan 0.000 0.488 85 A N 4.230 127.081 122.820 0.051 0.000 2.024 85 A HA -0.063 4.259 4.320 0.004 0.000 0.220 85 A C 2.082 179.743 177.584 0.128 0.000 1.164 85 A CA 1.704 53.794 52.037 0.087 0.000 0.643 85 A CB -0.491 18.540 19.000 0.052 0.000 0.806 85 A HN 0.683 nan 8.150 nan 0.000 0.451 86 A N -1.887 120.994 122.820 0.103 0.000 2.172 86 A HA -0.047 4.275 4.320 0.004 0.000 0.216 86 A C 1.799 179.463 177.584 0.133 0.000 1.154 86 A CA 1.372 53.485 52.037 0.126 0.000 0.701 86 A CB -0.087 18.969 19.000 0.093 0.000 0.789 86 A HN 0.454 nan 8.150 nan 0.000 0.465 87 Q N -1.473 118.399 119.800 0.119 0.000 2.103 87 Q HA 0.355 4.698 4.340 0.004 0.000 0.219 87 Q C 0.275 176.349 176.000 0.123 0.000 0.784 87 Q CA 0.443 56.315 55.803 0.114 0.000 1.014 87 Q CB 0.433 29.222 28.738 0.085 0.000 1.183 87 Q HN 0.536 nan 8.270 nan 0.000 0.469 88 A N 1.278 124.185 122.820 0.145 0.000 2.386 88 A HA 0.478 4.801 4.320 0.004 0.000 0.248 88 A C 0.066 177.761 177.584 0.185 0.000 1.082 88 A CA 0.044 52.178 52.037 0.161 0.000 0.789 88 A CB 0.434 19.545 19.000 0.185 0.000 1.025 88 A HN 0.042 nan 8.150 nan 0.000 0.490 89 R N 1.040 121.644 120.500 0.173 0.000 2.787 89 R HA 0.506 4.848 4.340 0.004 0.000 0.271 89 R C -2.031 174.406 176.300 0.228 0.000 0.993 89 R CA -2.033 54.171 56.100 0.173 0.000 0.993 89 R CB 0.697 31.056 30.300 0.098 0.000 1.155 89 R HN 0.387 nan 8.270 nan 0.000 0.486 90 P HA -0.263 nan 4.420 nan 0.000 0.219 90 P C 0.530 178.010 177.300 0.299 0.000 1.158 90 P CA 1.952 65.260 63.100 0.346 0.000 0.895 90 P CB 0.165 32.083 31.700 0.363 0.000 0.792 91 S N -2.767 113.036 115.700 0.172 0.000 2.561 91 S HA -0.015 4.457 4.470 0.004 0.000 0.225 91 S C 0.756 175.415 174.600 0.097 0.000 0.977 91 S CA 0.187 58.442 58.200 0.092 0.000 0.926 91 S CB -0.773 62.458 63.200 0.053 0.000 0.769 91 S HN 0.038 nan 8.310 nan 0.000 0.533 92 D N 2.453 122.940 120.400 0.146 0.000 2.383 92 D HA 0.307 4.949 4.640 0.004 0.000 0.248 92 D C -0.381 176.025 176.300 0.177 0.000 1.170 92 D CA -0.127 53.958 54.000 0.141 0.000 0.977 92 D CB 0.425 41.309 40.800 0.139 0.000 1.120 92 D HN 0.198 nan 8.370 nan 0.000 0.481 93 N N 0.003 118.794 118.700 0.152 0.000 2.400 93 N HA 0.390 5.132 4.740 0.004 0.000 0.288 93 N C -0.463 175.103 175.510 0.093 0.000 1.024 93 N CA -0.331 52.808 53.050 0.148 0.000 0.894 93 N CB 1.395 39.992 38.487 0.184 0.000 1.173 93 N HN 0.449 nan 8.380 nan 0.000 0.487 94 C N -1.038 118.294 119.300 0.053 0.000 3.239 94 C HA 0.558 5.020 4.460 0.004 0.000 0.317 94 C C -0.439 174.498 174.990 -0.088 0.000 1.310 94 C CA -0.899 58.124 59.018 0.008 0.000 1.371 94 C CB 0.541 28.315 27.740 0.058 0.000 1.714 94 C HN 0.367 nan 8.230 nan 0.000 0.473 95 V N 2.772 122.640 119.914 -0.077 0.000 2.389 95 V HA 0.192 4.315 4.120 0.004 0.000 0.264 95 V C 0.728 176.757 176.094 -0.108 0.000 1.049 95 V CA 0.242 62.489 62.300 -0.088 0.000 0.932 95 V CB 0.404 32.199 31.823 -0.048 0.000 1.011 95 V HN 0.941 nan 8.190 nan 0.000 0.475 96 F N 4.145 123.854 119.950 -0.402 0.000 2.259 96 F HA 0.024 4.554 4.527 0.004 0.000 0.298 96 F C 1.165 176.856 175.800 -0.183 0.000 1.088 96 F CA 1.060 58.765 58.000 -0.491 0.000 1.358 96 F CB 0.536 38.973 39.000 -0.938 0.000 1.040 96 F HN 0.639 nan 8.300 nan 0.000 0.505 97 S N -0.662 114.940 115.700 -0.163 0.000 2.586 97 S HA 0.491 4.964 4.470 0.004 0.000 0.277 97 S C -1.275 173.322 174.600 -0.006 0.000 1.131 97 S CA -0.433 57.657 58.200 -0.184 0.000 0.848 97 S CB 1.256 64.340 63.200 -0.194 0.000 1.091 97 S HN 0.623 nan 8.310 nan 0.000 0.453 98 V N 0.267 120.167 119.914 -0.022 0.000 2.808 98 V HA 0.979 5.101 4.120 0.004 0.000 0.308 98 V C -1.143 174.966 176.094 0.026 0.000 1.099 98 V CA -0.005 62.312 62.300 0.029 0.000 0.920 98 V CB 1.258 33.086 31.823 0.008 0.000 1.014 98 V HN 1.432 nan 8.190 nan 0.000 0.425 99 E N 4.698 124.946 120.200 0.079 0.000 2.449 99 E HA 0.507 4.860 4.350 0.004 0.000 0.278 99 E C -1.366 175.299 176.600 0.108 0.000 1.059 99 E CA -1.249 55.206 56.400 0.093 0.000 0.854 99 E CB 1.816 31.603 29.700 0.144 0.000 1.465 99 E HN 0.935 nan 8.360 nan 0.000 0.462 100 L N 1.386 122.680 121.223 0.117 0.000 2.543 100 L HA 0.070 4.412 4.340 0.004 0.000 0.285 100 L C -0.270 176.673 176.870 0.122 0.000 1.236 100 L CA 0.685 55.586 54.840 0.100 0.000 0.871 100 L CB 0.527 42.651 42.059 0.108 0.000 1.121 100 L HN 0.640 nan 8.230 nan 0.000 0.501 101 Q N 4.367 124.224 119.800 0.095 0.000 2.340 101 Q HA 0.379 4.721 4.340 0.004 0.000 0.259 101 Q C -1.290 174.764 176.000 0.090 0.000 0.964 101 Q CA -0.493 55.378 55.803 0.113 0.000 0.900 101 Q CB 0.805 29.606 28.738 0.105 0.000 1.228 101 Q HN 0.628 nan 8.270 nan 0.000 0.449 102 L N 6.637 127.929 121.223 0.116 0.000 2.485 102 L HA 0.274 4.616 4.340 0.004 0.000 0.275 102 L C -1.750 175.172 176.870 0.088 0.000 1.207 102 L CA -0.977 53.919 54.840 0.093 0.000 0.855 102 L CB -0.269 41.885 42.059 0.158 0.000 1.114 102 L HN 0.744 nan 8.230 nan 0.000 0.485 103 P HA 0.305 nan 4.420 nan 0.000 0.276 103 P C -2.669 174.688 177.300 0.095 0.000 1.261 103 P CA -1.584 61.541 63.100 0.041 0.000 0.800 103 P CB -0.172 31.503 31.700 -0.042 0.000 1.066 104 P HA 0.147 nan 4.420 nan 0.000 0.271 104 P C 1.042 178.372 177.300 0.050 0.000 1.216 104 P CA -0.116 63.014 63.100 0.050 0.000 0.776 104 P CB 0.517 32.228 31.700 0.019 0.000 0.881 105 K N 2.695 123.094 120.400 -0.001 0.000 2.026 105 K HA -0.195 4.127 4.320 0.004 0.000 0.208 105 K C 1.770 178.297 176.600 -0.123 0.000 1.048 105 K CA 1.698 57.885 56.287 -0.167 0.000 0.929 105 K CB -0.531 31.741 32.500 -0.379 0.000 0.713 105 K HN 0.484 nan 8.250 nan 0.000 0.439 106 A N 1.080 123.854 122.820 -0.076 0.000 1.883 106 A HA -0.154 4.168 4.320 0.004 0.000 0.217 106 A C 2.334 179.916 177.584 -0.003 0.000 1.186 106 A CA 2.089 54.101 52.037 -0.042 0.000 0.624 106 A CB -0.887 18.094 19.000 -0.032 0.000 0.822 106 A HN 0.497 nan 8.150 nan 0.000 0.444 107 A N -0.372 122.451 122.820 0.004 0.000 1.930 107 A HA 0.198 4.521 4.320 0.004 0.000 0.217 107 A C 2.485 180.095 177.584 0.043 0.000 1.175 107 A CA 2.004 54.051 52.037 0.016 0.000 0.627 107 A CB -0.943 18.055 19.000 -0.002 0.000 0.815 107 A HN 1.069 nan 8.150 nan 0.000 0.443 108 A N -0.307 122.547 122.820 0.057 0.000 1.930 108 A HA 0.013 4.335 4.320 0.004 0.000 0.217 108 A C 2.132 179.824 177.584 0.179 0.000 1.175 108 A CA 1.421 53.520 52.037 0.102 0.000 0.627 108 A CB -0.516 18.605 19.000 0.201 0.000 0.815 108 A HN 0.469 nan 8.150 nan 0.000 0.443 109 L N -0.965 120.342 121.223 0.140 0.000 2.109 109 L HA -0.100 4.242 4.340 0.004 0.000 0.207 109 L C 3.052 179.976 176.870 0.091 0.000 1.086 109 L CA 0.816 55.734 54.840 0.131 0.000 0.760 109 L CB -0.540 41.557 42.059 0.063 0.000 0.910 109 L HN 0.410 nan 8.230 nan 0.000 0.437 110 A N -0.264 122.600 122.820 0.073 0.000 1.940 110 A HA -0.304 4.018 4.320 0.004 0.000 0.219 110 A C 2.127 179.759 177.584 0.080 0.000 1.176 110 A CA 2.138 54.212 52.037 0.060 0.000 0.631 110 A CB -0.757 18.273 19.000 0.049 0.000 0.814 110 A HN 0.527 nan 8.150 nan 0.000 0.446 111 H N -0.223 118.851 119.070 0.007 0.000 2.307 111 H HA 0.072 4.629 4.556 0.002 0.000 0.303 111 H C 1.748 177.083 175.328 0.011 0.000 1.073 111 H CA 1.871 57.915 56.048 -0.006 0.000 1.338 111 H CB -0.324 29.414 29.762 -0.039 0.000 1.389 111 H HN 0.323 nan 8.280 nan 0.000 0.503 112 L N -0.034 121.146 121.223 -0.072 0.000 2.046 112 L HA -0.141 4.202 4.340 0.004 0.000 0.208 112 L C 1.624 178.464 176.870 -0.050 0.000 1.077 112 L CA 1.574 56.362 54.840 -0.086 0.000 0.747 112 L CB -0.201 41.928 42.059 0.117 0.000 0.896 112 L HN 0.381 nan 8.230 nan 0.000 0.432 113 D N -0.694 119.709 120.400 0.004 0.000 2.324 113 D HA 0.011 4.654 4.640 0.004 0.000 0.212 113 D C 1.824 178.123 176.300 -0.003 0.000 0.984 113 D CA 0.721 54.731 54.000 0.015 0.000 0.885 113 D CB 0.242 41.071 40.800 0.049 0.000 0.996 113 D HN 0.249 nan 8.370 nan 0.000 0.505 114 R N -0.220 120.276 120.500 -0.007 0.000 2.472 114 R HA 0.311 4.653 4.340 0.004 0.000 0.279 114 R C 0.904 177.195 176.300 -0.015 0.000 0.953 114 R CA 0.302 56.400 56.100 -0.003 0.000 1.088 114 R CB 1.093 31.401 30.300 0.012 0.000 1.197 114 R HN 0.022 nan 8.270 nan 0.000 0.536 115 G N 1.539 110.307 108.800 -0.054 0.000 2.225 115 G HA2 -0.308 3.654 3.960 0.004 0.000 0.267 115 G HA3 -0.308 3.654 3.960 0.004 0.000 0.267 115 G C 0.040 174.952 174.900 0.020 0.000 1.024 115 G CA 0.482 45.547 45.100 -0.059 0.000 0.784 115 G HN 0.312 nan 8.290 nan 0.000 0.507 116 S N 1.278 117.013 115.700 0.059 0.000 2.608 116 S HA 0.538 5.011 4.470 0.004 0.000 0.261 116 S C -1.319 173.385 174.600 0.172 0.000 1.314 116 S CA -0.504 57.747 58.200 0.086 0.000 0.992 116 S CB 1.213 64.455 63.200 0.070 0.000 0.935 116 S HN 0.418 nan 8.310 nan 0.000 0.564 117 P HA 0.214 nan 4.420 nan 0.000 0.272 117 P C -2.623 174.663 177.300 -0.023 0.000 1.223 117 P CA -1.392 61.753 63.100 0.075 0.000 0.784 117 P CB -0.734 30.974 31.700 0.014 0.000 0.923 118 P HA 0.200 nan 4.420 nan 0.000 0.269 118 P C -2.434 174.704 177.300 -0.271 0.000 1.215 118 P CA -1.036 61.696 63.100 -0.613 0.000 0.780 118 P CB -1.082 30.175 31.700 -0.739 0.000 0.898 119 P HA 0.159 nan 4.420 nan 0.000 0.274 119 P C -0.375 176.858 177.300 -0.112 0.000 1.231 119 P CA -0.175 62.851 63.100 -0.122 0.000 0.790 119 P CB 0.181 31.820 31.700 -0.102 0.000 0.951 120 A N 2.701 125.490 122.820 -0.051 0.000 2.566 120 A HA -0.015 4.308 4.320 0.004 0.000 0.245 120 A C 0.572 178.130 177.584 -0.045 0.000 1.056 120 A CA 0.175 52.197 52.037 -0.025 0.000 0.757 120 A CB -0.578 18.462 19.000 0.066 0.000 0.979 120 A HN 0.550 nan 8.150 nan 0.000 0.508 121 R N 2.528 122.981 120.500 -0.079 0.000 2.248 121 R HA 0.309 4.652 4.340 0.004 0.000 0.328 121 R C -0.389 175.870 176.300 -0.069 0.000 1.067 121 R CA 0.243 56.291 56.100 -0.088 0.000 0.924 121 R CB 0.268 30.502 30.300 -0.110 0.000 1.013 121 R HN 0.855 nan 8.270 nan 0.000 0.454 122 E N 2.058 122.239 120.200 -0.033 0.000 2.359 122 E HA 0.625 4.977 4.350 0.004 0.000 0.266 122 E C -1.291 175.312 176.600 0.005 0.000 0.920 122 E CA -1.220 55.171 56.400 -0.014 0.000 0.788 122 E CB 2.090 31.826 29.700 0.061 0.000 1.279 122 E HN 0.660 nan 8.360 nan 0.000 0.438 123 A N 1.165 123.991 122.820 0.010 0.000 2.380 123 A HA 0.678 5.000 4.320 0.004 0.000 0.315 123 A C -1.568 176.068 177.584 0.087 0.000 1.101 123 A CA -0.599 51.463 52.037 0.041 0.000 0.771 123 A CB 0.985 19.992 19.000 0.011 0.000 1.287 123 A HN 0.408 nan 8.150 nan 0.000 0.436 124 L N 1.504 122.799 121.223 0.120 0.000 2.313 124 L HA 0.793 5.135 4.340 0.004 0.000 0.283 124 L C 0.019 176.987 176.870 0.164 0.000 1.013 124 L CA -0.040 54.895 54.840 0.160 0.000 0.816 124 L CB 1.386 43.562 42.059 0.194 0.000 1.236 124 L HN 0.908 nan 8.230 nan 0.000 0.419 125 A N 6.249 129.170 122.820 0.168 0.000 2.331 125 A HA 0.747 5.069 4.320 0.004 0.000 0.320 125 A C -0.782 176.919 177.584 0.195 0.000 1.138 125 A CA -0.492 51.639 52.037 0.156 0.000 0.790 125 A CB 0.624 19.698 19.000 0.123 0.000 1.206 125 A HN 0.690 nan 8.150 nan 0.000 0.470 126 I N 2.998 123.699 120.570 0.218 0.000 2.330 126 I HA 0.345 4.518 4.170 0.004 0.000 0.289 126 I C -0.734 175.487 176.117 0.172 0.000 1.001 126 I CA -0.599 60.876 61.300 0.291 0.000 1.193 126 I CB 1.613 39.891 38.000 0.463 0.000 1.345 126 I HN 0.292 nan 8.210 nan 0.000 0.461 127 V N 7.046 127.025 119.914 0.109 0.000 2.459 127 V HA 0.370 4.492 4.120 0.004 0.000 0.295 127 V C -0.179 175.930 176.094 0.025 0.000 1.029 127 V CA -0.514 61.714 62.300 -0.120 0.000 0.874 127 V CB 1.800 33.335 31.823 -0.479 0.000 0.985 127 V HN 0.446 nan 8.190 nan 0.000 0.438 128 F N 4.467 124.321 119.950 -0.160 0.000 2.375 128 F HA 0.404 4.934 4.527 0.004 0.000 0.362 128 F C 0.102 175.895 175.800 -0.012 0.000 1.129 128 F CA -0.453 57.564 58.000 0.027 0.000 1.154 128 F CB 0.588 39.656 39.000 0.114 0.000 1.205 128 F HN 0.443 nan 8.300 nan 0.000 0.513 129 F N 2.172 122.335 119.950 0.354 0.000 2.541 129 F HA 0.201 4.730 4.527 0.003 0.000 0.351 129 F C 1.327 177.069 175.800 -0.097 0.000 1.209 129 F CA -0.335 57.744 58.000 0.131 0.000 1.277 129 F CB 0.640 39.680 39.000 0.067 0.000 1.632 129 F HN 0.573 nan 8.300 nan 0.000 0.619 130 G N 0.988 109.811 108.800 0.038 0.000 2.603 130 G HA2 -0.010 3.952 3.960 0.004 0.000 0.214 130 G HA3 -0.010 3.952 3.960 0.004 0.000 0.214 130 G C 1.314 176.134 174.900 -0.132 0.000 1.140 130 G CA 0.165 45.065 45.100 -0.333 0.000 0.800 130 G HN 0.646 nan 8.290 nan 0.000 0.533 131 G N 0.597 109.410 108.800 0.021 0.000 3.458 131 G HA2 0.493 4.455 3.960 0.004 0.000 0.256 131 G HA3 0.493 4.455 3.960 0.004 0.000 0.256 131 G C -0.030 174.871 174.900 0.002 0.000 0.938 131 G CA -0.274 44.840 45.100 0.023 0.000 1.890 131 G HN 0.606 nan 8.290 nan 0.000 0.639 132 Q N -0.657 119.116 119.800 -0.047 0.000 2.633 132 Q HA 0.322 4.665 4.340 0.004 0.000 0.289 132 Q C -2.661 173.299 176.000 -0.067 0.000 0.940 132 Q CA -1.588 54.184 55.803 -0.050 0.000 0.785 132 Q CB 0.988 29.692 28.738 -0.058 0.000 1.467 132 Q HN -0.041 nan 8.270 nan 0.000 0.401 133 P HA -0.206 nan 4.420 nan 0.000 0.217 133 P C -0.457 176.812 177.300 -0.051 0.000 1.151 133 P CA 1.605 64.678 63.100 -0.044 0.000 0.849 133 P CB 0.187 31.864 31.700 -0.037 0.000 0.787 134 Q N -0.778 118.983 119.800 -0.064 0.000 2.932 134 Q HA 0.249 4.591 4.340 0.004 0.000 0.248 134 Q C -2.504 173.438 176.000 -0.097 0.000 0.982 134 Q CA -1.990 53.774 55.803 -0.064 0.000 0.730 134 Q CB 1.403 30.115 28.738 -0.043 0.000 1.249 134 Q HN 0.200 nan 8.270 nan 0.000 0.476 135 P HA -0.069 nan 4.420 nan 0.000 0.267 135 P C -0.879 176.342 177.300 -0.132 0.000 1.200 135 P CA 0.250 63.159 63.100 -0.317 0.000 0.772 135 P CB 0.752 31.926 31.700 -0.876 0.000 0.855 136 N N 0.196 118.915 118.700 0.032 0.000 2.853 136 N HA 0.475 5.218 4.740 0.004 0.000 0.258 136 N C -1.770 173.903 175.510 0.271 0.000 1.444 136 N CA -0.994 52.136 53.050 0.133 0.000 0.837 136 N CB 0.855 39.380 38.487 0.063 0.000 1.489 136 N HN 0.061 nan 8.380 nan 0.000 0.529 137 V N -0.261 119.710 119.914 0.095 0.000 2.555 137 V HA 0.705 4.827 4.120 0.004 0.000 0.302 137 V C -0.542 175.615 176.094 0.105 0.000 1.038 137 V CA -0.351 62.000 62.300 0.084 0.000 0.887 137 V CB 1.558 33.250 31.823 -0.218 0.000 0.991 137 V HN 0.852 nan 8.190 nan 0.000 0.434 138 T N 3.712 118.404 114.554 0.229 0.000 2.861 138 T HA 0.459 4.811 4.350 0.004 0.000 0.287 138 T C -0.709 174.139 174.700 0.247 0.000 1.003 138 T CA -0.582 61.675 62.100 0.261 0.000 0.977 138 T CB 1.611 70.755 68.868 0.461 0.000 0.996 138 T HN 0.711 nan 8.240 nan 0.000 0.448 139 E N 2.287 122.633 120.200 0.243 0.000 2.174 139 E HA 0.520 4.872 4.350 0.004 0.000 0.282 139 E C -0.838 175.898 176.600 0.226 0.000 0.992 139 E CA -0.472 56.082 56.400 0.257 0.000 0.803 139 E CB 1.164 31.038 29.700 0.289 0.000 1.090 139 E HN 0.384 nan 8.360 nan 0.000 0.396 140 L N 3.073 124.426 121.223 0.217 0.000 2.356 140 L HA 0.439 4.782 4.340 0.004 0.000 0.277 140 L C -0.667 176.319 176.870 0.193 0.000 0.996 140 L CA -1.172 53.792 54.840 0.207 0.000 0.822 140 L CB 1.683 43.872 42.059 0.216 0.000 1.256 140 L HN 0.266 nan 8.230 nan 0.000 0.413 141 V N 4.224 124.255 119.914 0.195 0.000 2.461 141 V HA 0.346 4.469 4.120 0.004 0.000 0.275 141 V C 0.101 176.322 176.094 0.212 0.000 1.047 141 V CA -0.376 62.039 62.300 0.192 0.000 0.955 141 V CB 1.753 33.694 31.823 0.197 0.000 0.988 141 V HN 0.439 nan 8.190 nan 0.000 0.471 142 V N 4.096 124.077 119.914 0.112 0.000 2.604 142 V HA 1.019 5.142 4.120 0.004 0.000 0.305 142 V C 0.432 176.366 176.094 -0.267 0.000 1.043 142 V CA 0.121 62.398 62.300 -0.037 0.000 0.888 142 V CB 1.534 33.333 31.823 -0.039 0.000 0.995 142 V HN 1.102 nan 8.190 nan 0.000 0.429 143 G N 4.551 112.892 108.800 -0.763 0.000 2.441 143 G HA2 0.610 4.572 3.960 0.004 0.000 0.294 143 G HA3 0.610 4.572 3.960 0.004 0.000 0.294 143 G C -3.553 170.620 174.900 -1.211 0.000 1.393 143 G CA -0.806 43.840 45.100 -0.755 0.000 0.796 143 G HN 0.472 nan 8.290 nan 0.000 0.494 144 P HA 0.486 nan 4.420 nan 0.000 0.290 144 P C -0.081 177.066 177.300 -0.256 0.000 1.276 144 P CA -0.444 62.501 63.100 -0.258 0.000 0.808 144 P CB 1.505 33.139 31.700 -0.110 0.000 0.966 145 L N 5.693 126.798 121.223 -0.197 0.000 2.453 145 L HA 0.192 4.535 4.340 0.004 0.000 0.261 145 L C -0.621 176.168 176.870 -0.136 0.000 1.179 145 L CA -1.536 53.200 54.840 -0.173 0.000 0.813 145 L CB 0.393 42.368 42.059 -0.140 0.000 1.110 145 L HN 0.341 nan 8.230 nan 0.000 0.466 146 P HA -0.131 nan 4.420 nan 0.000 0.218 146 P C -0.156 177.066 177.300 -0.130 0.000 1.149 146 P CA 0.884 63.918 63.100 -0.110 0.000 0.817 146 P CB 0.209 31.860 31.700 -0.081 0.000 0.785 147 Q N 0.124 119.836 119.800 -0.147 0.000 2.454 147 Q HA 0.401 4.743 4.340 0.004 0.000 0.255 147 Q C -2.729 173.104 176.000 -0.278 0.000 1.034 147 Q CA -2.982 52.722 55.803 -0.166 0.000 0.736 147 Q CB 0.618 29.301 28.738 -0.093 0.000 1.210 147 Q HN -0.006 nan 8.270 nan 0.000 0.500 148 P HA 0.034 nan 4.420 nan 0.000 0.267 148 P C -0.191 176.644 177.300 -0.775 0.000 1.201 148 P CA 0.299 62.896 63.100 -0.840 0.000 0.775 148 P CB 0.975 31.887 31.700 -1.314 0.000 0.854 149 S N -0.104 115.227 115.700 -0.616 0.000 2.733 149 S HA 0.168 4.640 4.470 0.004 0.000 0.270 149 S C -0.223 174.464 174.600 0.145 0.000 1.062 149 S CA -0.352 57.793 58.200 -0.092 0.000 1.256 149 S CB -0.311 62.889 63.200 0.000 0.000 1.187 149 S HN 0.454 nan 8.310 nan 0.000 0.666 150 Y N -0.276 120.051 120.300 0.043 0.000 2.576 150 Y HA 0.839 5.390 4.550 0.003 0.000 0.346 150 Y C -0.762 175.267 175.900 0.215 0.000 1.018 150 Y CA -1.797 56.398 58.100 0.159 0.000 1.050 150 Y CB 1.373 39.878 38.460 0.074 0.000 1.280 150 Y HN 0.117 nan 8.280 nan 0.000 0.474 151 M N 3.391 123.285 119.600 0.490 0.000 2.060 151 M HA 0.514 4.996 4.480 0.004 0.000 0.275 151 M C -1.986 174.495 176.300 0.301 0.000 0.919 151 M CA -0.483 55.052 55.300 0.391 0.000 0.970 151 M CB 1.051 33.869 32.600 0.364 0.000 1.670 151 M HN 0.941 nan 8.290 nan 0.000 0.440 152 R N 2.223 122.894 120.500 0.285 0.000 2.295 152 R HA 0.278 4.620 4.340 0.004 0.000 0.324 152 R C -0.801 175.596 176.300 0.162 0.000 0.968 152 R CA -0.573 55.635 56.100 0.180 0.000 0.837 152 R CB 0.977 31.348 30.300 0.118 0.000 1.133 152 R HN 0.468 nan 8.270 nan 0.000 0.450 153 D N 3.336 123.819 120.400 0.138 0.000 2.344 153 D HA 0.016 4.658 4.640 0.004 0.000 0.253 153 D C 0.682 177.050 176.300 0.113 0.000 1.255 153 D CA -0.242 53.843 54.000 0.141 0.000 0.894 153 D CB 1.226 42.100 40.800 0.124 0.000 1.067 153 D HN 0.355 nan 8.370 nan 0.000 0.492 154 V N 1.242 121.231 119.914 0.125 0.000 3.483 154 V HA 0.106 4.228 4.120 0.004 0.000 0.301 154 V C 1.618 177.773 176.094 0.102 0.000 1.389 154 V CA 0.180 62.537 62.300 0.096 0.000 1.101 154 V CB -0.291 31.588 31.823 0.093 0.000 0.971 154 V HN 0.410 nan 8.190 nan 0.000 0.434 155 T N 1.518 116.159 114.554 0.145 0.000 2.635 155 T HA -0.209 4.143 4.350 0.004 0.000 0.267 155 T C 1.908 176.707 174.700 0.165 0.000 1.040 155 T CA 2.314 64.533 62.100 0.198 0.000 1.156 155 T CB -0.373 68.596 68.868 0.169 0.000 0.863 155 T HN 0.397 nan 8.240 nan 0.000 0.430 156 V N 2.253 122.228 119.914 0.102 0.000 2.427 156 V HA -0.171 3.951 4.120 0.004 0.000 0.248 156 V C 2.607 178.727 176.094 0.043 0.000 1.051 156 V CA 2.125 64.469 62.300 0.074 0.000 1.048 156 V CB -0.758 31.094 31.823 0.048 0.000 0.666 156 V HN 0.732 nan 8.190 nan 0.000 0.456 157 E N 0.257 120.471 120.200 0.024 0.000 2.418 157 E HA -0.163 4.189 4.350 0.004 0.000 0.197 157 E C 2.085 178.659 176.600 -0.044 0.000 1.026 157 E CA 0.901 57.300 56.400 -0.001 0.000 0.862 157 E CB -0.123 29.579 29.700 0.002 0.000 0.799 157 E HN 0.540 nan 8.360 nan 0.000 0.518 158 R N -0.800 119.633 120.500 -0.112 0.000 2.282 158 R HA 0.157 4.500 4.340 0.004 0.000 0.195 158 R C 0.947 176.961 176.300 -0.477 0.000 0.909 158 R CA 0.481 56.398 56.100 -0.306 0.000 1.039 158 R CB 0.372 30.418 30.300 -0.425 0.000 1.015 158 R HN 0.344 nan 8.270 nan 0.000 0.513 159 H N -1.575 117.534 119.070 0.065 0.000 3.233 159 H HA 0.249 4.808 4.556 0.004 0.000 0.263 159 H C 1.062 176.414 175.328 0.040 0.000 1.168 159 H CA 0.660 56.744 56.048 0.059 0.000 1.159 159 H CB 1.703 31.493 29.762 0.047 0.000 1.593 159 H HN 0.376 nan 8.280 nan 0.000 0.580 160 G N 0.719 109.580 108.800 0.102 0.000 2.179 160 G HA2 -0.181 3.782 3.960 0.004 0.000 0.260 160 G HA3 -0.181 3.782 3.960 0.004 0.000 0.260 160 G C 0.633 175.570 174.900 0.063 0.000 0.977 160 G CA 0.425 45.566 45.100 0.070 0.000 0.641 160 G HN 0.903 nan 8.290 nan 0.000 0.533 161 G N -1.397 107.451 108.800 0.079 0.000 2.321 161 G HA2 0.649 4.611 3.960 0.004 0.000 0.296 161 G HA3 0.649 4.611 3.960 0.004 0.000 0.296 161 G C -3.205 171.720 174.900 0.042 0.000 1.287 161 G CA 0.141 45.270 45.100 0.048 0.000 0.846 161 G HN 0.417 nan 8.290 nan 0.000 0.508 162 P HA 0.431 nan 4.420 nan 0.000 0.272 162 P C -0.349 176.897 177.300 -0.089 0.000 1.223 162 P CA -0.359 62.728 63.100 -0.022 0.000 0.784 162 P CB 0.680 32.364 31.700 -0.026 0.000 0.923 163 L N 4.107 125.232 121.223 -0.163 0.000 2.261 163 L HA 0.312 4.654 4.340 0.004 0.000 0.289 163 L C -1.921 174.749 176.870 -0.333 0.000 1.059 163 L CA -2.104 52.535 54.840 -0.335 0.000 0.816 163 L CB 0.759 42.478 42.059 -0.566 0.000 1.191 163 L HN 0.217 nan 8.230 nan 0.000 0.431 164 P HA -0.120 nan 4.420 nan 0.000 0.266 164 P C 0.328 177.265 177.300 -0.605 0.000 1.195 164 P CA 0.163 62.935 63.100 -0.548 0.000 0.768 164 P CB 0.649 31.787 31.700 -0.937 0.000 0.838 165 Y N 2.720 122.698 120.300 -0.536 0.000 2.207 165 Y HA -0.281 4.272 4.550 0.004 0.000 0.287 165 Y C 2.157 177.823 175.900 -0.390 0.000 1.156 165 Y CA 1.292 59.152 58.100 -0.401 0.000 1.182 165 Y CB -0.476 37.863 38.460 -0.201 0.000 0.979 165 Y HN 0.360 nan 8.280 nan 0.000 0.521 166 Y N -1.593 118.638 120.300 -0.115 0.000 2.680 166 Y HA 0.072 4.625 4.550 0.004 0.000 0.303 166 Y C 1.703 177.491 175.900 -0.187 0.000 1.166 166 Y CA -0.005 57.996 58.100 -0.165 0.000 1.344 166 Y CB -0.911 37.506 38.460 -0.071 0.000 1.002 166 Y HN -0.056 nan 8.280 nan 0.000 0.537 167 R N 1.362 121.650 120.500 -0.353 0.000 2.223 167 R HA 0.090 4.433 4.340 0.004 0.000 0.198 167 R C 0.759 176.963 176.300 -0.162 0.000 0.984 167 R CA -0.006 55.990 56.100 -0.174 0.000 1.018 167 R CB 0.053 30.209 30.300 -0.239 0.000 0.945 167 R HN 0.424 nan 8.270 nan 0.000 0.479 168 R N 2.962 123.195 120.500 -0.446 0.000 2.698 168 R HA 0.096 4.438 4.340 0.004 0.000 0.266 168 R C -2.404 173.667 176.300 -0.382 0.000 1.026 168 R CA -1.213 54.535 56.100 -0.587 0.000 1.102 168 R CB -0.309 29.021 30.300 -1.616 0.000 0.978 168 R HN -0.160 nan 8.270 nan 0.000 0.436 169 P HA 0.002 nan 4.420 nan 0.000 0.274 169 P C -0.227 177.053 177.300 -0.034 0.000 1.231 169 P CA -0.449 62.575 63.100 -0.127 0.000 0.790 169 P CB 0.695 32.366 31.700 -0.047 0.000 0.951 170 V N 3.395 123.331 119.914 0.036 0.000 2.529 170 V HA -0.076 4.047 4.120 0.004 0.000 0.292 170 V C 1.107 177.287 176.094 0.144 0.000 1.028 170 V CA 0.216 62.507 62.300 -0.014 0.000 1.074 170 V CB -0.214 31.458 31.823 -0.252 0.000 0.958 170 V HN 0.370 nan 8.190 nan 0.000 0.481 171 L N 4.516 125.856 121.223 0.196 0.000 2.436 171 L HA 0.169 4.511 4.340 0.004 0.000 0.265 171 L C 0.984 178.096 176.870 0.403 0.000 1.168 171 L CA 0.204 55.272 54.840 0.381 0.000 0.815 171 L CB 0.555 42.833 42.059 0.364 0.000 1.109 171 L HN 0.628 nan 8.230 nan 0.000 0.462 172 L N 2.367 123.908 121.223 0.530 0.000 2.046 172 L HA -0.157 4.185 4.340 0.004 0.000 0.208 172 L C 2.456 179.572 176.870 0.411 0.000 1.077 172 L CA 1.697 56.870 54.840 0.554 0.000 0.747 172 L CB -0.650 41.665 42.059 0.426 0.000 0.896 172 L HN 0.818 nan 8.230 nan 0.000 0.432 173 R N -0.317 120.377 120.500 0.322 0.000 2.148 173 R HA -0.184 4.158 4.340 0.004 0.000 0.227 173 R C 2.275 178.742 176.300 0.278 0.000 1.103 173 R CA 1.588 57.847 56.100 0.265 0.000 0.983 173 R CB -0.288 30.148 30.300 0.226 0.000 0.874 173 R HN 0.643 nan 8.270 nan 0.000 0.451 174 E N -0.985 119.379 120.200 0.274 0.000 2.072 174 E HA -0.204 4.148 4.350 0.004 0.000 0.191 174 E C 1.393 178.095 176.600 0.170 0.000 0.985 174 E CA 1.232 57.783 56.400 0.251 0.000 0.801 174 E CB -0.154 29.629 29.700 0.137 0.000 0.750 174 E HN 0.516 nan 8.360 nan 0.000 0.452 175 Y N 0.639 121.067 120.300 0.213 0.000 2.145 175 Y HA -0.202 4.350 4.550 0.004 0.000 0.286 175 Y C 2.289 178.255 175.900 0.110 0.000 1.145 175 Y CA 1.022 59.205 58.100 0.138 0.000 1.148 175 Y CB -0.047 38.543 38.460 0.216 0.000 0.981 175 Y HN 0.066 nan 8.280 nan 0.000 0.507 176 L N -0.371 121.049 121.223 0.328 0.000 2.079 176 L HA -0.258 4.084 4.340 0.004 0.000 0.210 176 L C 1.741 178.739 176.870 0.214 0.000 1.081 176 L CA 1.265 56.250 54.840 0.241 0.000 0.752 176 L CB -0.500 41.687 42.059 0.215 0.000 0.896 176 L HN 0.238 nan 8.230 nan 0.000 0.433 177 D N 0.139 120.686 120.400 0.244 0.000 2.149 177 D HA -0.093 4.549 4.640 0.004 0.000 0.201 177 D C 2.307 178.798 176.300 0.319 0.000 0.972 177 D CA 1.066 55.222 54.000 0.260 0.000 0.835 177 D CB -0.043 40.923 40.800 0.278 0.000 0.966 177 D HN 0.301 nan 8.370 nan 0.000 0.476 178 I N 0.994 121.722 120.570 0.263 0.000 2.286 178 I HA -0.242 3.931 4.170 0.004 0.000 0.248 178 I C 1.770 177.847 176.117 -0.067 0.000 1.115 178 I CA 1.051 62.364 61.300 0.022 0.000 1.392 178 I CB -0.082 37.668 38.000 -0.417 0.000 1.065 178 I HN -0.136 nan 8.210 nan 0.000 0.418 179 D N 0.260 120.659 120.400 -0.001 0.000 2.117 179 D HA -0.159 4.484 4.640 0.004 0.000 0.198 179 D C 2.303 178.725 176.300 0.204 0.000 0.982 179 D CA 0.926 54.978 54.000 0.086 0.000 0.828 179 D CB -0.182 40.781 40.800 0.272 0.000 0.967 179 D HN 0.222 nan 8.370 nan 0.000 0.464 180 Q N -0.112 119.807 119.800 0.197 0.000 2.096 180 Q HA -0.137 4.206 4.340 0.004 0.000 0.204 180 Q C 2.198 178.280 176.000 0.137 0.000 0.982 180 Q CA 0.765 56.681 55.803 0.190 0.000 0.850 180 Q CB -0.438 28.385 28.738 0.141 0.000 0.901 180 Q HN 0.407 nan 8.270 nan 0.000 0.422 181 M N -0.177 119.486 119.600 0.105 0.000 2.086 181 M HA -0.171 4.311 4.480 0.004 0.000 0.261 181 M C 1.974 178.273 176.300 -0.002 0.000 1.067 181 M CA 1.431 56.777 55.300 0.077 0.000 1.116 181 M CB -0.061 32.627 32.600 0.147 0.000 1.348 181 M HN 0.131 nan 8.290 nan 0.000 0.407 182 I N -0.513 119.987 120.570 -0.116 0.000 2.252 182 I HA -0.280 3.892 4.170 0.004 0.000 0.245 182 I C 1.752 177.667 176.117 -0.336 0.000 1.102 182 I CA 1.407 62.525 61.300 -0.303 0.000 1.385 182 I CB -0.334 37.327 38.000 -0.565 0.000 1.064 182 I HN 0.244 nan 8.210 nan 0.000 0.414 183 F N 0.379 120.363 119.950 0.057 0.000 2.569 183 F HA 0.006 4.535 4.527 0.004 0.000 0.295 183 F C 2.024 177.879 175.800 0.092 0.000 1.115 183 F CA 0.832 58.885 58.000 0.089 0.000 1.450 183 F CB -0.242 38.814 39.000 0.093 0.000 1.107 183 F HN 0.076 nan 8.300 nan 0.000 0.563 184 N N -0.573 118.248 118.700 0.202 0.000 2.482 184 N HA 0.034 4.777 4.740 0.004 0.000 0.179 184 N C 1.736 177.303 175.510 0.095 0.000 1.039 184 N CA 0.127 53.264 53.050 0.146 0.000 0.884 184 N CB 0.186 38.746 38.487 0.121 0.000 1.113 184 N HN 0.086 nan 8.380 nan 0.000 0.440 185 R N 0.506 121.044 120.500 0.064 0.000 2.287 185 R HA 0.168 4.511 4.340 0.004 0.000 0.197 185 R C 1.239 177.547 176.300 0.014 0.000 0.900 185 R CA 0.438 56.562 56.100 0.040 0.000 1.052 185 R CB 0.536 30.859 30.300 0.037 0.000 1.117 185 R HN 0.016 nan 8.270 nan 0.000 0.568 186 E N 0.902 121.093 120.200 -0.014 0.000 2.052 186 E HA -0.020 4.332 4.350 0.004 0.000 0.192 186 E C 2.011 178.558 176.600 -0.089 0.000 0.958 186 E CA 0.610 56.978 56.400 -0.054 0.000 0.835 186 E CB -0.343 29.308 29.700 -0.081 0.000 0.811 186 E HN 0.226 nan 8.360 nan 0.000 0.462 187 L N 1.238 122.388 121.223 -0.121 0.000 2.081 187 L HA -0.170 4.172 4.340 0.004 0.000 0.212 187 L C -0.480 176.285 176.870 -0.175 0.000 1.080 187 L CA 1.448 56.167 54.840 -0.202 0.000 0.754 187 L CB -1.760 40.172 42.059 -0.211 0.000 0.893 187 L HN 0.106 nan 8.230 nan 0.000 0.433 188 P HA -0.187 nan 4.420 nan 0.000 0.219 188 P C 1.380 178.679 177.300 -0.002 0.000 1.146 188 P CA 1.165 64.325 63.100 0.101 0.000 0.808 188 P CB -0.023 31.762 31.700 0.143 0.000 0.779 189 Q N -1.121 118.650 119.800 -0.047 0.000 2.364 189 Q HA -0.008 4.334 4.340 0.004 0.000 0.209 189 Q C 1.122 177.048 176.000 -0.122 0.000 0.977 189 Q CA 1.044 56.810 55.803 -0.063 0.000 0.885 189 Q CB -0.245 28.456 28.738 -0.062 0.000 0.941 189 Q HN 0.171 nan 8.270 nan 0.000 0.464 190 A N -0.400 122.295 122.820 -0.209 0.000 2.749 190 A HA 0.563 4.886 4.320 0.004 0.000 0.299 190 A C 1.290 178.636 177.584 -0.396 0.000 1.105 190 A CA 0.230 52.077 52.037 -0.317 0.000 0.987 190 A CB 0.126 18.871 19.000 -0.425 0.000 1.180 190 A HN 0.242 nan 8.150 nan 0.000 0.528 191 A N -0.002 122.655 122.820 -0.271 0.000 1.933 191 A HA 0.100 4.423 4.320 0.004 0.000 0.218 191 A C 2.205 179.425 177.584 -0.606 0.000 1.175 191 A CA 2.106 53.927 52.037 -0.359 0.000 0.628 191 A CB -0.879 18.115 19.000 -0.011 0.000 0.814 191 A HN 0.865 nan 8.150 nan 0.000 0.444 192 G N -0.813 107.873 108.800 -0.191 0.000 2.433 192 G HA2 -0.148 3.815 3.960 0.004 0.000 0.216 192 G HA3 -0.148 3.815 3.960 0.004 0.000 0.216 192 G C 1.649 176.504 174.900 -0.076 0.000 1.186 192 G CA 1.293 46.438 45.100 0.075 0.000 0.779 192 G HN 0.671 nan 8.290 nan 0.000 0.543 193 V N 0.054 119.680 119.914 -0.480 0.000 2.515 193 V HA -0.008 4.115 4.120 0.004 0.000 0.250 193 V C 2.630 178.365 176.094 -0.597 0.000 1.058 193 V CA 1.418 63.090 62.300 -1.046 0.000 1.064 193 V CB -0.159 30.947 31.823 -1.195 0.000 0.675 193 V HN 0.206 nan 8.190 nan 0.000 0.461 194 L N -0.082 120.843 121.223 -0.498 0.000 2.240 194 L HA 0.036 4.378 4.340 0.004 0.000 0.211 194 L C 2.441 179.287 176.870 -0.041 0.000 1.106 194 L CA 1.649 56.275 54.840 -0.357 0.000 0.793 194 L CB -1.143 40.514 42.059 -0.670 0.000 0.927 194 L HN 0.445 nan 8.230 nan 0.000 0.446 195 H N -2.536 116.587 119.070 0.089 0.000 2.403 195 H HA -0.095 4.463 4.556 0.004 0.000 0.298 195 H C 2.068 177.463 175.328 0.111 0.000 1.059 195 H CA 1.472 57.609 56.048 0.147 0.000 1.363 195 H CB -0.274 29.573 29.762 0.141 0.000 1.410 195 H HN 0.463 nan 8.280 nan 0.000 0.528 196 H N 0.180 119.310 119.070 0.100 0.000 2.353 196 H HA -0.121 4.437 4.556 0.004 0.000 0.300 196 H C 2.453 177.806 175.328 0.041 0.000 1.090 196 H CA 2.269 58.356 56.048 0.065 0.000 1.327 196 H CB 0.185 29.948 29.762 0.002 0.000 1.383 196 H HN 0.442 nan 8.280 nan 0.000 0.508 197 C N -1.598 117.809 119.300 0.178 0.000 2.512 197 C HA 0.207 4.669 4.460 0.004 0.000 0.276 197 C C 1.798 176.892 174.990 0.174 0.000 1.368 197 C CA 0.116 59.221 59.018 0.145 0.000 1.755 197 C CB -0.753 27.037 27.740 0.083 0.000 2.008 197 C HN 0.657 nan 8.230 nan 0.000 0.511 198 C N 0.731 120.151 119.300 0.200 0.000 3.722 198 C HA 0.454 4.916 4.460 0.004 0.000 0.279 198 C C 1.058 176.231 174.990 0.306 0.000 1.819 198 C CA 0.188 59.399 59.018 0.320 0.000 1.744 198 C CB -1.698 26.216 27.740 0.290 0.000 3.247 198 C HN 0.638 nan 8.230 nan 0.000 0.549 199 S N 0.506 116.351 115.700 0.242 0.000 3.581 199 S HA -0.262 4.210 4.470 0.004 0.000 0.354 199 S C -0.010 174.758 174.600 0.279 0.000 1.059 199 S CA 0.392 58.713 58.200 0.202 0.000 1.060 199 S CB -1.622 61.638 63.200 0.100 0.000 0.908 199 S HN 0.796 nan 8.310 nan 0.000 0.475 200 Y N 2.681 123.133 120.300 0.254 0.000 2.802 200 Y HA 0.160 4.712 4.550 0.004 0.000 0.333 200 Y C 0.992 177.076 175.900 0.308 0.000 1.244 200 Y CA 0.650 58.895 58.100 0.242 0.000 1.558 200 Y CB -0.029 38.497 38.460 0.109 0.000 1.233 200 Y HN 0.346 nan 8.280 nan 0.000 0.547 201 K N 3.504 123.776 120.400 -0.214 0.000 3.069 201 K HA -0.285 4.038 4.320 0.004 0.000 0.267 201 K C 0.105 176.637 176.600 -0.114 0.000 1.082 201 K CA 1.089 57.229 56.287 -0.245 0.000 0.782 201 K CB -0.703 31.542 32.500 -0.424 0.000 1.230 201 K HN 0.799 nan 8.250 nan 0.000 0.488 202 Q N -0.593 119.176 119.800 -0.051 0.000 2.088 202 Q HA 0.157 4.499 4.340 0.004 0.000 0.270 202 Q C 0.734 176.711 176.000 -0.039 0.000 0.854 202 Q CA 0.778 56.541 55.803 -0.066 0.000 1.104 202 Q CB 1.207 29.893 28.738 -0.086 0.000 1.251 202 Q HN 0.545 nan 8.270 nan 0.000 0.436 203 G N -0.453 108.325 108.800 -0.037 0.000 2.234 203 G HA2 -0.248 3.715 3.960 0.004 0.000 0.235 203 G HA3 -0.248 3.715 3.960 0.004 0.000 0.235 203 G C 0.519 175.399 174.900 -0.033 0.000 0.997 203 G CA -0.159 44.919 45.100 -0.036 0.000 0.623 203 G HN 0.564 nan 8.290 nan 0.000 0.514 204 G N -0.203 108.593 108.800 -0.005 0.000 2.636 204 G HA2 0.447 4.409 3.960 0.004 0.000 0.246 204 G HA3 0.447 4.409 3.960 0.004 0.000 0.246 204 G C 0.286 175.169 174.900 -0.028 0.000 1.216 204 G CA 0.053 45.145 45.100 -0.014 0.000 0.854 204 G HN 0.324 nan 8.290 nan 0.000 0.572 205 Q N -0.111 119.617 119.800 -0.120 0.000 2.479 205 Q HA 0.061 4.404 4.340 0.004 0.000 0.267 205 Q C 0.620 176.671 176.000 0.086 0.000 1.071 205 Q CA 0.468 56.223 55.803 -0.079 0.000 0.935 205 Q CB 0.622 29.224 28.738 -0.226 0.000 1.295 205 Q HN 0.460 nan 8.270 nan 0.000 0.476 206 K N 1.096 121.536 120.400 0.067 0.000 2.276 206 K HA 0.265 4.587 4.320 0.004 0.000 0.259 206 K C -0.078 176.637 176.600 0.193 0.000 1.001 206 K CA -0.111 56.227 56.287 0.085 0.000 0.927 206 K CB 0.444 32.946 32.500 0.003 0.000 0.969 206 K HN 0.377 nan 8.250 nan 0.000 0.490 207 L N 2.621 123.967 121.223 0.204 0.000 2.334 207 L HA 0.581 4.924 4.340 0.004 0.000 0.270 207 L C -0.728 176.312 176.870 0.282 0.000 1.018 207 L CA -1.194 53.832 54.840 0.311 0.000 0.811 207 L CB 0.959 43.273 42.059 0.426 0.000 1.271 207 L HN 0.467 nan 8.230 nan 0.000 0.443 208 L N -1.249 120.208 121.223 0.389 0.000 2.479 208 L HA 0.820 5.162 4.340 0.004 0.000 0.255 208 L C -0.257 176.917 176.870 0.506 0.000 1.026 208 L CA -0.533 54.561 54.840 0.424 0.000 0.842 208 L CB 1.539 43.737 42.059 0.233 0.000 1.444 208 L HN 0.580 nan 8.230 nan 0.000 0.409 209 T N -1.348 113.490 114.554 0.474 0.000 2.944 209 T HA 0.760 5.112 4.350 0.004 0.000 0.284 209 T C -0.296 174.687 174.700 0.472 0.000 1.010 209 T CA -0.608 61.755 62.100 0.439 0.000 1.025 209 T CB 1.437 70.466 68.868 0.269 0.000 1.079 209 T HN 0.940 nan 8.240 nan 0.000 0.516 210 M N 2.539 122.404 119.600 0.442 0.000 2.204 210 M HA 0.410 4.892 4.480 0.004 0.000 0.293 210 M C -0.762 175.644 176.300 0.178 0.000 0.994 210 M CA -0.711 54.657 55.300 0.113 0.000 0.925 210 M CB 1.681 34.066 32.600 -0.359 0.000 1.577 210 M HN 0.864 nan 8.290 nan 0.000 0.439 211 N N 2.126 120.885 118.700 0.100 0.000 2.326 211 N HA 0.483 5.225 4.740 0.004 0.000 0.239 211 N C -1.204 174.251 175.510 -0.091 0.000 1.301 211 N CA 0.358 53.417 53.050 0.016 0.000 0.909 211 N CB 0.869 39.457 38.487 0.169 0.000 1.156 211 N HN 0.737 nan 8.380 nan 0.000 0.462 212 S N -0.381 115.258 115.700 -0.101 0.000 2.588 212 S HA 0.882 5.354 4.470 0.004 0.000 0.269 212 S C -1.584 173.023 174.600 0.011 0.000 1.157 212 S CA -0.412 57.742 58.200 -0.077 0.000 0.824 212 S CB 1.121 64.235 63.200 -0.143 0.000 1.126 212 S HN 0.958 nan 8.310 nan 0.000 0.464 213 A N 0.922 123.698 122.820 -0.074 0.000 2.597 213 A HA 0.877 5.199 4.320 0.004 0.000 0.292 213 A C -3.247 174.271 177.584 -0.111 0.000 1.057 213 A CA -1.303 50.750 52.037 0.027 0.000 0.674 213 A CB 0.568 19.738 19.000 0.284 0.000 1.278 213 A HN 0.653 nan 8.150 nan 0.000 0.416 214 P HA 0.221 nan 4.420 nan 0.000 0.281 214 P C -0.757 176.602 177.300 0.097 0.000 1.274 214 P CA 0.124 63.218 63.100 -0.010 0.000 0.794 214 P CB 0.308 31.894 31.700 -0.191 0.000 1.201 215 R N -0.342 120.263 120.500 0.174 0.000 2.564 215 R HA 0.647 4.989 4.340 0.004 0.000 0.282 215 R C 0.421 176.822 176.300 0.168 0.000 1.573 215 R CA -0.340 55.842 56.100 0.136 0.000 1.588 215 R CB 0.630 30.963 30.300 0.055 0.000 1.154 215 R HN 0.849 nan 8.270 nan 0.000 0.606 216 G N -0.324 108.598 108.800 0.204 0.000 2.291 216 G HA2 -0.031 3.931 3.960 0.004 0.000 0.249 216 G HA3 -0.031 3.931 3.960 0.004 0.000 0.249 216 G C -0.306 174.622 174.900 0.046 0.000 1.340 216 G CA -0.229 44.896 45.100 0.041 0.000 1.017 216 G HN 0.374 nan 8.290 nan 0.000 0.470 217 V N -2.613 117.090 119.914 -0.351 0.000 3.392 217 V HA 0.604 4.727 4.120 0.004 0.000 0.294 217 V C -0.132 175.222 176.094 -1.233 0.000 1.561 217 V CA 1.285 63.331 62.300 -0.423 0.000 1.056 217 V CB -0.136 31.564 31.823 -0.205 0.000 0.882 217 V HN 1.516 nan 8.190 nan 0.000 0.440 218 Q N -1.109 117.566 119.800 -1.875 0.000 2.687 218 Q HA 0.532 4.874 4.340 0.004 0.000 0.295 218 Q C -1.119 174.170 176.000 -1.186 0.000 0.920 218 Q CA -0.656 54.104 55.803 -1.738 0.000 0.766 218 Q CB 1.161 29.434 28.738 -0.775 0.000 1.467 218 Q HN 0.025 nan 8.270 nan 0.000 0.415 219 S N -0.017 115.428 115.700 -0.426 0.000 2.544 219 S HA 0.407 4.879 4.470 0.004 0.000 0.290 219 S C 0.994 175.304 174.600 -0.483 0.000 1.276 219 S CA 1.154 59.297 58.200 -0.094 0.000 1.075 219 S CB 0.279 63.531 63.200 0.087 0.000 0.849 219 S HN 1.080 nan 8.310 nan 0.000 0.494 220 G N 3.268 111.493 108.800 -0.957 0.000 2.278 220 G HA2 -0.171 3.791 3.960 0.004 0.000 0.210 220 G HA3 -0.171 3.791 3.960 0.004 0.000 0.210 220 G C -0.371 174.108 174.900 -0.702 0.000 1.000 220 G CA -0.412 43.832 45.100 -1.427 0.000 0.635 220 G HN 0.616 nan 8.290 nan 0.000 0.495 221 D N 0.234 120.378 120.400 -0.426 0.000 2.372 221 D HA 0.562 5.204 4.640 0.004 0.000 0.243 221 D C 0.861 177.071 176.300 -0.150 0.000 1.121 221 D CA 0.193 54.039 54.000 -0.257 0.000 0.898 221 D CB 0.992 41.639 40.800 -0.255 0.000 1.202 221 D HN 0.356 nan 8.370 nan 0.000 0.428 222 R N 0.698 121.075 120.500 -0.205 0.000 2.593 222 R HA 0.192 4.535 4.340 0.004 0.000 0.258 222 R C -1.313 174.732 176.300 -0.425 0.000 1.410 222 R CA -0.269 55.632 56.100 -0.332 0.000 1.537 222 R CB 0.038 30.079 30.300 -0.432 0.000 1.362 222 R HN 0.199 nan 8.270 nan 0.000 0.734 223 S N 0.537 116.111 115.700 -0.210 0.000 2.596 223 S HA 0.392 4.864 4.470 0.004 0.000 0.318 223 S C -0.561 173.979 174.600 -0.100 0.000 1.097 223 S CA -0.404 57.705 58.200 -0.151 0.000 1.080 223 S CB 2.012 65.106 63.200 -0.176 0.000 0.991 223 S HN 0.177 nan 8.310 nan 0.000 0.471 224 T N 2.743 117.274 114.554 -0.038 0.000 2.807 224 T HA 0.338 4.691 4.350 0.004 0.000 0.279 224 T C -0.748 173.818 174.700 -0.223 0.000 0.993 224 T CA -0.462 61.558 62.100 -0.134 0.000 0.970 224 T CB 0.497 69.209 68.868 -0.259 0.000 0.950 224 T HN 0.560 nan 8.240 nan 0.000 0.441 225 W N 3.226 124.422 121.300 -0.174 0.000 2.437 225 W HA 0.460 5.122 4.660 0.004 0.000 0.312 225 W C -0.493 175.895 176.519 -0.218 0.000 1.242 225 W CA -0.715 56.566 57.345 -0.106 0.000 1.340 225 W CB 0.114 29.527 29.460 -0.079 0.000 1.327 225 W HN 0.513 nan 8.180 nan 0.000 0.476 226 F N 2.725 122.833 119.950 0.263 0.000 2.415 226 F HA 0.538 5.067 4.527 0.004 0.000 0.348 226 F C 1.042 176.977 175.800 0.226 0.000 1.119 226 F CA -0.668 57.449 58.000 0.195 0.000 1.069 226 F CB 0.997 40.067 39.000 0.117 0.000 1.124 226 F HN 0.275 nan 8.300 nan 0.000 0.472 227 G N 3.786 112.834 108.800 0.413 0.000 2.412 227 G HA2 0.578 4.540 3.960 0.004 0.000 0.318 227 G HA3 0.578 4.540 3.960 0.004 0.000 0.318 227 G C -0.986 174.177 174.900 0.437 0.000 1.146 227 G CA -0.544 44.790 45.100 0.390 0.000 0.882 227 G HN 0.368 nan 8.290 nan 0.000 0.501 228 I N 1.094 121.762 120.570 0.163 0.000 2.354 228 I HA 0.420 4.593 4.170 0.004 0.000 0.292 228 I C -0.919 175.174 176.117 -0.040 0.000 0.989 228 I CA -1.289 60.105 61.300 0.156 0.000 1.188 228 I CB 0.624 38.640 38.000 0.026 0.000 1.342 228 I HN 0.311 nan 8.210 nan 0.000 0.457 229 Y N 4.580 124.972 120.300 0.154 0.000 2.576 229 Y HA 0.426 4.979 4.550 0.004 0.000 0.346 229 Y C -0.263 175.717 175.900 0.133 0.000 1.018 229 Y CA -1.132 57.040 58.100 0.121 0.000 1.050 229 Y CB 1.195 39.805 38.460 0.250 0.000 1.280 229 Y HN 0.324 nan 8.280 nan 0.000 0.474 230 Y N 1.421 121.903 120.300 0.302 0.000 2.526 230 Y HA -0.037 4.515 4.550 0.004 0.000 0.330 230 Y C 1.205 177.179 175.900 0.125 0.000 1.156 230 Y CA -0.035 58.165 58.100 0.166 0.000 1.419 230 Y CB 0.543 39.048 38.460 0.075 0.000 1.250 230 Y HN 0.596 nan 8.280 nan 0.000 0.540 231 N N 5.904 124.752 118.700 0.248 0.000 3.254 231 N HA 0.031 4.773 4.740 0.004 0.000 0.308 231 N C -0.906 174.627 175.510 0.039 0.000 1.281 231 N CA -0.449 52.665 53.050 0.106 0.000 1.212 231 N CB -0.312 38.215 38.487 0.065 0.000 1.478 231 N HN 0.576 nan 8.380 nan 0.000 0.548 232 I N 0.079 120.663 120.570 0.022 0.000 2.421 232 I HA 0.094 4.266 4.170 0.004 0.000 0.291 232 I C 1.613 177.707 176.117 -0.039 0.000 1.089 232 I CA -0.505 60.749 61.300 -0.077 0.000 1.354 232 I CB 0.583 38.426 38.000 -0.262 0.000 1.413 232 I HN 0.070 nan 8.210 nan 0.000 0.513 233 T N 2.370 116.899 114.554 -0.041 0.000 3.179 233 T HA -0.078 4.275 4.350 0.004 0.000 0.269 233 T C 0.716 175.406 174.700 -0.017 0.000 1.187 233 T CA 0.883 62.968 62.100 -0.026 0.000 1.054 233 T CB -0.702 68.149 68.868 -0.028 0.000 0.874 233 T HN 0.771 nan 8.240 nan 0.000 0.568 234 K N 0.322 120.708 120.400 -0.024 0.000 2.642 234 K HA 0.529 4.851 4.320 0.004 0.000 0.273 234 K C 0.963 177.528 176.600 -0.058 0.000 1.029 234 K CA -0.723 55.550 56.287 -0.024 0.000 1.071 234 K CB 0.165 32.650 32.500 -0.025 0.000 1.451 234 K HN 0.063 nan 8.250 nan 0.000 0.559 235 G N 0.443 109.150 108.800 -0.155 0.000 2.764 235 G HA2 0.342 4.305 3.960 0.004 0.000 0.278 235 G HA3 0.342 4.305 3.960 0.004 0.000 0.278 235 G C 0.307 174.526 174.900 -1.134 0.000 0.686 235 G CA 0.519 45.274 45.100 -0.576 0.000 2.105 235 G HN 0.738 nan 8.290 nan 0.000 0.562 236 G N 3.245 111.709 108.800 -0.560 0.000 2.798 236 G HA2 -0.055 3.907 3.960 0.004 0.000 0.658 236 G HA3 -0.055 3.907 3.960 0.004 0.000 0.658 236 G C -1.093 173.746 174.900 -0.102 0.000 1.148 236 G CA -0.174 44.759 45.100 -0.278 0.000 1.200 236 G HN 0.308 nan 8.290 nan 0.000 0.519 237 P HA -0.130 nan 4.420 nan 0.000 0.220 237 P C 1.013 178.300 177.300 -0.021 0.000 1.148 237 P CA 1.105 64.153 63.100 -0.087 0.000 0.803 237 P CB 0.041 31.559 31.700 -0.303 0.000 0.782 238 Y N -0.866 119.403 120.300 -0.052 0.000 2.553 238 Y HA 0.086 4.639 4.550 0.004 0.000 0.303 238 Y C 2.001 177.908 175.900 0.012 0.000 1.194 238 Y CA -0.131 57.779 58.100 -0.317 0.000 1.305 238 Y CB -1.033 37.157 38.460 -0.450 0.000 1.045 238 Y HN -0.081 nan 8.280 nan 0.000 0.514 239 L N -0.335 120.936 121.223 0.081 0.000 2.592 239 L HA 0.125 4.467 4.340 0.004 0.000 0.227 239 L C 0.137 176.799 176.870 -0.347 0.000 1.127 239 L CA 0.594 55.344 54.840 -0.150 0.000 0.884 239 L CB -0.256 41.587 42.059 -0.359 0.000 1.065 239 L HN 0.175 nan 8.230 nan 0.000 0.457 240 H N 0.421 119.698 119.070 0.344 0.000 2.348 240 H HA 0.379 4.937 4.556 0.004 0.000 0.232 240 H C -2.471 172.982 175.328 0.209 0.000 1.419 240 H CA -1.765 54.465 56.048 0.304 0.000 1.416 240 H CB 0.279 30.249 29.762 0.347 0.000 1.510 240 H HN 0.119 nan 8.280 nan 0.000 0.507 241 P HA 0.028 nan 4.420 nan 0.000 0.275 241 P C 0.938 178.082 177.300 -0.261 0.000 1.228 241 P CA -0.232 62.625 63.100 -0.406 0.000 0.786 241 P CB 2.547 34.092 31.700 -0.258 0.000 0.927 242 V N 1.503 121.158 119.914 -0.432 0.000 3.471 242 V HA 0.164 4.286 4.120 0.004 0.000 0.258 242 V C 1.832 177.643 176.094 -0.472 0.000 1.192 242 V CA 1.542 63.605 62.300 -0.394 0.000 1.116 242 V CB -0.810 30.779 31.823 -0.391 0.000 0.792 242 V HN 0.980 nan 8.190 nan 0.000 0.459 243 G N 0.490 109.033 108.800 -0.429 0.000 2.175 243 G HA2 -0.210 3.752 3.960 0.004 0.000 0.244 243 G HA3 -0.210 3.752 3.960 0.004 0.000 0.244 243 G C -0.170 174.464 174.900 -0.443 0.000 0.982 243 G CA 0.255 44.981 45.100 -0.623 0.000 0.641 243 G HN 0.405 nan 8.290 nan 0.000 0.527 244 L N 1.283 122.388 121.223 -0.197 0.000 2.287 244 L HA 0.827 5.169 4.340 0.004 0.000 0.287 244 L C -0.237 176.693 176.870 0.100 0.000 1.022 244 L CA -0.900 53.961 54.840 0.036 0.000 0.814 244 L CB 1.079 43.182 42.059 0.073 0.000 1.217 244 L HN 0.227 nan 8.230 nan 0.000 0.420 245 E N 5.574 125.922 120.200 0.247 0.000 2.293 245 E HA 0.563 4.916 4.350 0.004 0.000 0.270 245 E C -1.517 175.407 176.600 0.539 0.000 0.879 245 E CA -0.755 55.857 56.400 0.354 0.000 0.756 245 E CB 2.517 32.368 29.700 0.251 0.000 1.208 245 E HN 0.522 nan 8.360 nan 0.000 0.428 246 L N 2.677 124.188 121.223 0.480 0.000 2.362 246 L HA 0.463 4.805 4.340 0.004 0.000 0.275 246 L C -0.510 176.361 176.870 0.001 0.000 0.998 246 L CA -0.783 54.215 54.840 0.263 0.000 0.820 246 L CB 1.693 43.828 42.059 0.127 0.000 1.270 246 L HN 0.371 nan 8.230 nan 0.000 0.415 247 L N 4.834 125.715 121.223 -0.570 0.000 2.282 247 L HA 0.360 4.702 4.340 0.004 0.000 0.287 247 L C -0.191 176.474 176.870 -0.342 0.000 1.075 247 L CA -0.485 53.811 54.840 -0.907 0.000 0.839 247 L CB 1.286 42.497 42.059 -1.413 0.000 1.219 247 L HN 0.482 nan 8.230 nan 0.000 0.434 248 V N 2.929 122.784 119.914 -0.098 0.000 2.481 248 V HA 0.378 4.500 4.120 0.004 0.000 0.286 248 V C -0.310 175.783 176.094 -0.002 0.000 1.042 248 V CA -0.613 61.681 62.300 -0.010 0.000 0.928 248 V CB 1.773 33.627 31.823 0.052 0.000 0.986 248 V HN 0.623 nan 8.190 nan 0.000 0.462 249 D N 4.296 124.670 120.400 -0.042 0.000 2.380 249 D HA 0.290 4.932 4.640 0.004 0.000 0.230 249 D C 0.216 176.419 176.300 -0.161 0.000 1.154 249 D CA -0.044 53.906 54.000 -0.084 0.000 0.859 249 D CB 0.474 41.241 40.800 -0.054 0.000 1.045 249 D HN 0.991 nan 8.370 nan 0.000 0.495 250 H N 1.208 119.981 119.070 -0.495 0.000 2.505 250 H HA 0.286 4.845 4.556 0.004 0.000 0.260 250 H C 1.095 176.165 175.328 -0.430 0.000 1.168 250 H CA -0.597 54.772 56.048 -1.133 0.000 0.945 250 H CB 0.577 29.317 29.762 -1.703 0.000 1.800 250 H HN 0.216 nan 8.280 nan 0.000 0.586 251 K N 1.134 121.399 120.400 -0.225 0.000 2.228 251 K HA 0.184 4.506 4.320 0.004 0.000 0.202 251 K C 0.822 177.527 176.600 0.174 0.000 1.051 251 K CA 0.535 56.785 56.287 -0.062 0.000 0.960 251 K CB 0.064 32.523 32.500 -0.068 0.000 0.743 251 K HN 0.397 nan 8.250 nan 0.000 0.458 252 A N 1.047 124.060 122.820 0.322 0.000 2.462 252 A HA 0.124 4.446 4.320 0.004 0.000 0.243 252 A C 0.741 178.563 177.584 0.397 0.000 1.076 252 A CA -0.350 51.889 52.037 0.337 0.000 0.773 252 A CB 0.270 19.460 19.000 0.317 0.000 1.010 252 A HN 0.289 nan 8.150 nan 0.000 0.493 253 L N 0.888 122.250 121.223 0.232 0.000 2.275 253 L HA 0.002 4.344 4.340 0.004 0.000 0.215 253 L C 0.820 177.747 176.870 0.094 0.000 1.119 253 L CA 1.492 56.449 54.840 0.196 0.000 0.790 253 L CB -0.791 41.339 42.059 0.117 0.000 0.919 253 L HN 0.760 nan 8.230 nan 0.000 0.443 254 D N -0.856 119.549 120.400 0.008 0.000 2.427 254 D HA 0.191 4.834 4.640 0.004 0.000 0.226 254 D C -1.819 174.238 176.300 -0.406 0.000 1.076 254 D CA -2.421 51.498 54.000 -0.135 0.000 0.849 254 D CB 1.749 42.498 40.800 -0.085 0.000 1.052 254 D HN -0.109 nan 8.370 nan 0.000 0.515 255 P HA -0.169 nan 4.420 nan 0.000 0.218 255 P C 0.959 177.726 177.300 -0.889 0.000 1.146 255 P CA 1.261 63.312 63.100 -1.748 0.000 0.820 255 P CB 0.228 31.062 31.700 -1.443 0.000 0.778 256 A N -0.617 121.944 122.820 -0.432 0.000 2.125 256 A HA -0.170 4.153 4.320 0.004 0.000 0.219 256 A C 1.603 179.123 177.584 -0.108 0.000 1.156 256 A CA 1.630 53.545 52.037 -0.204 0.000 0.671 256 A CB -0.868 18.056 19.000 -0.127 0.000 0.794 256 A HN 0.109 nan 8.150 nan 0.000 0.459 257 D N -1.671 118.666 120.400 -0.106 0.000 2.340 257 D HA 0.052 4.694 4.640 0.004 0.000 0.217 257 D C -0.295 176.126 176.300 0.202 0.000 1.081 257 D CA -0.216 53.808 54.000 0.041 0.000 0.842 257 D CB -0.009 40.823 40.800 0.053 0.000 0.934 257 D HN 0.446 nan 8.370 nan 0.000 0.511 258 W N 2.223 123.547 121.300 0.040 0.000 2.170 258 W HA 0.302 4.964 4.660 0.004 0.000 0.336 258 W C 1.196 177.731 176.519 0.027 0.000 1.283 258 W CA -0.570 56.804 57.345 0.049 0.000 1.224 258 W CB 0.207 29.709 29.460 0.070 0.000 1.132 258 W HN -0.231 nan 8.180 nan 0.000 0.571 259 T N -1.375 113.321 114.554 0.236 0.000 2.843 259 T HA 0.509 4.861 4.350 0.004 0.000 0.302 259 T C -1.187 173.545 174.700 0.053 0.000 1.232 259 T CA -0.997 61.174 62.100 0.118 0.000 1.009 259 T CB 1.731 70.643 68.868 0.074 0.000 1.254 259 T HN 0.405 nan 8.240 nan 0.000 0.504 260 V N 2.247 122.174 119.914 0.021 0.000 2.364 260 V HA 0.394 4.516 4.120 0.004 0.000 0.272 260 V C 0.529 176.598 176.094 -0.042 0.000 1.036 260 V CA -0.248 62.037 62.300 -0.026 0.000 0.880 260 V CB 1.015 32.827 31.823 -0.018 0.000 0.991 260 V HN 0.918 nan 8.190 nan 0.000 0.460 261 Q N 4.267 124.008 119.800 -0.099 0.000 2.424 261 Q HA 0.269 4.611 4.340 0.004 0.000 0.204 261 Q C 0.340 176.302 176.000 -0.063 0.000 0.933 261 Q CA 0.569 56.320 55.803 -0.086 0.000 0.929 261 Q CB 0.344 29.010 28.738 -0.120 0.000 1.037 261 Q HN 0.845 nan 8.270 nan 0.000 0.511 262 K N -1.147 119.202 120.400 -0.084 0.000 2.675 262 K HA 0.344 4.666 4.320 0.004 0.000 0.280 262 K C -1.941 174.746 176.600 0.145 0.000 0.993 262 K CA -0.524 55.804 56.287 0.068 0.000 0.863 262 K CB 1.527 34.105 32.500 0.131 0.000 1.438 262 K HN -0.116 nan 8.250 nan 0.000 0.389 263 V N 1.978 122.120 119.914 0.380 0.000 2.876 263 V HA 0.804 4.926 4.120 0.004 0.000 0.312 263 V C -1.825 174.618 176.094 0.582 0.000 1.085 263 V CA -0.612 61.966 62.300 0.465 0.000 0.945 263 V CB 1.618 33.573 31.823 0.221 0.000 1.017 263 V HN 0.720 nan 8.190 nan 0.000 0.428 264 F N 6.465 126.604 119.950 0.315 0.000 2.467 264 F HA 0.793 5.322 4.527 0.004 0.000 0.336 264 F C -1.449 174.331 175.800 -0.034 0.000 1.123 264 F CA -1.162 56.775 58.000 -0.105 0.000 0.964 264 F CB 1.682 40.370 39.000 -0.519 0.000 1.136 264 F HN 0.670 nan 8.300 nan 0.000 0.447 265 F N 6.385 125.869 119.950 -0.776 0.000 2.539 265 F HA 0.291 4.820 4.527 0.004 0.000 0.328 265 F C -0.055 175.137 175.800 -1.012 0.000 1.148 265 F CA -0.501 57.066 58.000 -0.723 0.000 0.940 265 F CB 1.243 39.944 39.000 -0.499 0.000 1.194 265 F HN 0.691 nan 8.300 nan 0.000 0.438 266 Q N 4.633 123.402 119.800 -1.719 0.000 2.395 266 Q HA -0.258 4.084 4.340 0.004 0.000 0.326 266 Q C 1.045 176.379 176.000 -1.109 0.000 1.302 266 Q CA 1.134 56.010 55.803 -1.544 0.000 0.949 266 Q CB -1.595 26.114 28.738 -1.714 0.000 1.204 266 Q HN 1.325 nan 8.270 nan 0.000 0.444 267 G N -0.840 106.932 108.800 -1.713 0.000 2.259 267 G HA2 -0.256 3.706 3.960 0.004 0.000 0.217 267 G HA3 -0.256 3.706 3.960 0.004 0.000 0.217 267 G C 0.108 174.389 174.900 -1.032 0.000 1.001 267 G CA 0.064 44.065 45.100 -1.832 0.000 0.627 267 G HN 0.266 nan 8.290 nan 0.000 0.501 268 R N -0.493 119.464 120.500 -0.905 0.000 2.778 268 R HA 0.644 4.986 4.340 0.004 0.000 0.277 268 R C -1.030 174.946 176.300 -0.540 0.000 0.977 268 R CA -0.686 55.115 56.100 -0.498 0.000 0.950 268 R CB 1.263 31.370 30.300 -0.322 0.000 1.165 268 R HN 0.167 nan 8.270 nan 0.000 0.474 269 Y N 0.752 120.869 120.300 -0.305 0.000 2.387 269 Y HA 0.380 4.932 4.550 0.004 0.000 0.330 269 Y C -0.356 175.306 175.900 -0.397 0.000 1.133 269 Y CA -0.160 57.885 58.100 -0.093 0.000 1.152 269 Y CB 1.183 39.674 38.460 0.052 0.000 1.215 269 Y HN 0.402 nan 8.280 nan 0.000 0.466 270 Y N -0.575 119.864 120.300 0.231 0.000 2.609 270 Y HA 0.266 4.818 4.550 0.004 0.000 0.342 270 Y C 0.868 176.851 175.900 0.139 0.000 1.058 270 Y CA -1.207 56.972 58.100 0.131 0.000 1.055 270 Y CB 1.357 39.847 38.460 0.050 0.000 1.292 270 Y HN 0.450 nan 8.280 nan 0.000 0.476 271 E N 1.090 121.437 120.200 0.244 0.000 2.107 271 E HA -0.027 4.325 4.350 0.004 0.000 0.191 271 E C -0.578 176.096 176.600 0.122 0.000 0.982 271 E CA 1.282 57.771 56.400 0.149 0.000 0.809 271 E CB 0.094 29.853 29.700 0.099 0.000 0.756 271 E HN 0.739 nan 8.360 nan 0.000 0.459 272 N N -3.255 115.517 118.700 0.119 0.000 3.227 272 N HA 0.115 4.857 4.740 0.004 0.000 0.241 272 N C -0.160 175.353 175.510 0.005 0.000 1.480 272 N CA -0.571 52.512 53.050 0.054 0.000 0.886 272 N CB 0.103 38.607 38.487 0.029 0.000 1.406 272 N HN -0.145 nan 8.380 nan 0.000 0.514 273 L N -0.635 120.558 121.223 -0.050 0.000 2.201 273 L HA 0.017 4.360 4.340 0.004 0.000 0.212 273 L C 2.237 179.026 176.870 -0.134 0.000 1.105 273 L CA 1.638 56.397 54.840 -0.135 0.000 0.775 273 L CB -0.616 41.359 42.059 -0.141 0.000 0.913 273 L HN 0.844 nan 8.230 nan 0.000 0.440 274 A N -0.501 122.278 122.820 -0.069 0.000 1.969 274 A HA -0.244 4.079 4.320 0.004 0.000 0.218 274 A C 2.268 179.827 177.584 -0.042 0.000 1.169 274 A CA 1.498 53.504 52.037 -0.051 0.000 0.635 274 A CB -0.379 18.608 19.000 -0.020 0.000 0.810 274 A HN 0.478 nan 8.150 nan 0.000 0.445 275 Q N -0.849 118.940 119.800 -0.018 0.000 2.123 275 Q HA -0.116 4.226 4.340 0.004 0.000 0.199 275 Q C 1.963 177.946 176.000 -0.030 0.000 0.966 275 Q CA 1.384 57.205 55.803 0.030 0.000 0.845 275 Q CB -0.196 28.611 28.738 0.116 0.000 0.907 275 Q HN 0.529 nan 8.270 nan 0.000 0.439 276 L N 1.259 122.350 121.223 -0.220 0.000 1.994 276 L HA -0.180 4.163 4.340 0.004 0.000 0.208 276 L C 2.192 178.868 176.870 -0.323 0.000 1.071 276 L CA 2.368 56.860 54.840 -0.580 0.000 0.745 276 L CB -0.699 40.862 42.059 -0.830 0.000 0.892 276 L HN 0.231 nan 8.230 nan 0.000 0.431 277 E N 0.225 120.286 120.200 -0.232 0.000 2.051 277 E HA -0.281 4.072 4.350 0.004 0.000 0.192 277 E C 2.113 178.717 176.600 0.007 0.000 0.991 277 E CA 1.910 58.247 56.400 -0.105 0.000 0.799 277 E CB -0.364 29.274 29.700 -0.103 0.000 0.748 277 E HN 0.771 nan 8.360 nan 0.000 0.449 278 E N -0.067 120.124 120.200 -0.015 0.000 2.150 278 E HA -0.238 4.115 4.350 0.004 0.000 0.193 278 E C 2.065 178.672 176.600 0.012 0.000 0.985 278 E CA 1.046 57.447 56.400 0.002 0.000 0.814 278 E CB -0.327 29.374 29.700 0.002 0.000 0.752 278 E HN 0.373 nan 8.360 nan 0.000 0.466 279 Q N -0.343 119.477 119.800 0.033 0.000 2.172 279 Q HA -0.099 4.243 4.340 0.004 0.000 0.200 279 Q C 1.871 177.909 176.000 0.062 0.000 0.964 279 Q CA 1.204 57.044 55.803 0.061 0.000 0.855 279 Q CB -0.180 28.638 28.738 0.134 0.000 0.918 279 Q HN 0.341 nan 8.270 nan 0.000 0.444 280 F N 2.118 122.008 119.950 -0.099 0.000 2.206 280 F HA -0.115 4.414 4.527 0.004 0.000 0.298 280 F C 1.871 177.627 175.800 -0.072 0.000 1.090 280 F CA 1.094 59.025 58.000 -0.115 0.000 1.323 280 F CB 0.105 38.987 39.000 -0.197 0.000 1.028 280 F HN -0.056 nan 8.300 nan 0.000 0.492 281 E N 0.862 120.940 120.200 -0.203 0.000 2.051 281 E HA -0.149 4.204 4.350 0.004 0.000 0.192 281 E C 2.171 178.639 176.600 -0.220 0.000 0.991 281 E CA 1.225 57.471 56.400 -0.257 0.000 0.799 281 E CB -1.005 28.638 29.700 -0.095 0.000 0.748 281 E HN 0.417 nan 8.360 nan 0.000 0.449 282 A N 0.629 123.375 122.820 -0.124 0.000 2.250 282 A HA 0.215 4.537 4.320 0.004 0.000 0.208 282 A C 1.510 179.037 177.584 -0.095 0.000 1.254 282 A CA 0.895 52.882 52.037 -0.083 0.000 0.858 282 A CB -0.931 18.049 19.000 -0.033 0.000 0.820 282 A HN 0.277 nan 8.150 nan 0.000 0.484 283 G N -0.897 107.799 108.800 -0.174 0.000 2.283 283 G HA2 -0.320 3.642 3.960 0.004 0.000 0.280 283 G HA3 -0.320 3.642 3.960 0.004 0.000 0.280 283 G C 0.489 175.360 174.900 -0.049 0.000 1.029 283 G CA 0.748 45.761 45.100 -0.145 0.000 0.840 283 G HN 0.677 nan 8.290 nan 0.000 0.505 284 Q N -1.595 118.200 119.800 -0.009 0.000 2.247 284 Q HA 0.326 4.668 4.340 0.004 0.000 0.211 284 Q C 0.407 176.464 176.000 0.094 0.000 0.861 284 Q CA 0.229 56.058 55.803 0.043 0.000 0.949 284 Q CB 1.483 30.251 28.738 0.050 0.000 1.115 284 Q HN 0.412 nan 8.270 nan 0.000 0.507 285 V N 2.168 122.166 119.914 0.141 0.000 2.407 285 V HA 0.185 4.307 4.120 0.004 0.000 0.291 285 V C -0.305 175.889 176.094 0.167 0.000 1.018 285 V CA -0.982 61.426 62.300 0.180 0.000 0.842 285 V CB 1.551 33.494 31.823 0.199 0.000 0.996 285 V HN 0.221 nan 8.190 nan 0.000 0.426 286 N N 4.023 122.781 118.700 0.096 0.000 2.430 286 N HA 0.253 4.995 4.740 0.004 0.000 0.265 286 N C -0.889 174.631 175.510 0.015 0.000 1.100 286 N CA -0.066 53.017 53.050 0.055 0.000 0.961 286 N CB 1.640 40.155 38.487 0.047 0.000 1.075 286 N HN 0.425 nan 8.380 nan 0.000 0.478 287 V N 4.200 124.085 119.914 -0.049 0.000 2.370 287 V HA 0.245 4.367 4.120 0.004 0.000 0.283 287 V C 0.358 176.422 176.094 -0.051 0.000 1.023 287 V CA -0.910 61.336 62.300 -0.090 0.000 0.857 287 V CB 1.520 33.164 31.823 -0.300 0.000 0.985 287 V HN 0.315 nan 8.190 nan 0.000 0.443 288 V N 5.952 125.806 119.914 -0.101 0.000 2.488 288 V HA 0.226 4.349 4.120 0.004 0.000 0.277 288 V C 0.391 176.450 176.094 -0.059 0.000 1.046 288 V CA -0.352 61.895 62.300 -0.089 0.000 0.986 288 V CB 1.597 33.319 31.823 -0.168 0.000 0.989 288 V HN 0.775 nan 8.190 nan 0.000 0.475 289 V N 4.713 124.651 119.914 0.040 0.000 2.530 289 V HA 0.546 4.669 4.120 0.004 0.000 0.282 289 V C -0.262 175.878 176.094 0.076 0.000 1.048 289 V CA -0.237 62.123 62.300 0.100 0.000 0.997 289 V CB 0.977 32.884 31.823 0.140 0.000 0.987 289 V HN 0.594 nan 8.190 nan 0.000 0.477 290 I N 8.845 129.500 120.570 0.141 0.000 2.307 290 I HA 0.462 4.634 4.170 0.004 0.000 0.289 290 I C -1.457 174.872 176.117 0.353 0.000 1.021 290 I CA -1.877 59.571 61.300 0.247 0.000 1.224 290 I CB 1.315 39.437 38.000 0.202 0.000 1.376 290 I HN 0.665 nan 8.210 nan 0.000 0.470 291 P HA 0.160 nan 4.420 nan 0.000 0.278 291 P C -0.514 176.849 177.300 0.105 0.000 1.270 291 P CA -0.046 63.156 63.100 0.170 0.000 0.800 291 P CB 0.465 32.258 31.700 0.155 0.000 1.142 322 F N -1.085 118.875 119.950 0.016 0.000 2.807 322 F HA 0.720 5.249 4.527 0.003 0.000 0.316 322 F C -1.377 174.417 175.800 -0.011 0.000 1.162 322 F CA -0.695 57.302 58.000 -0.004 0.000 0.910 322 F CB 1.013 40.005 39.000 -0.013 0.000 1.314 322 F HN -0.106 nan 8.300 nan 0.000 0.454 323 S N 0.809 116.582 115.700 0.121 0.000 2.579 323 S HA 0.818 5.290 4.470 0.004 0.000 0.272 323 S C -2.094 172.567 174.600 0.101 0.000 1.141 323 S CA -0.509 57.694 58.200 0.005 0.000 0.843 323 S CB 1.564 64.751 63.200 -0.021 0.000 1.122 323 S HN 1.955 nan 8.310 nan 0.000 0.468 324 V N 1.676 121.638 119.914 0.079 0.000 2.482 324 V HA 0.634 4.756 4.120 0.004 0.000 0.295 324 V C -1.667 174.486 176.094 0.097 0.000 1.026 324 V CA -0.094 62.265 62.300 0.098 0.000 0.856 324 V CB 1.374 33.273 31.823 0.127 0.000 1.001 324 V HN 1.031 nan 8.190 nan 0.000 0.424 325 Q N 4.767 124.617 119.800 0.084 0.000 2.304 325 Q HA 0.668 5.010 4.340 0.004 0.000 0.270 325 Q C 0.597 176.634 176.000 0.062 0.000 1.035 325 Q CA -0.041 55.803 55.803 0.069 0.000 0.781 325 Q CB 2.132 30.890 28.738 0.034 0.000 1.261 325 Q HN 1.367 nan 8.270 nan 0.000 0.444 326 G N 3.198 112.039 108.800 0.068 0.000 2.622 326 G HA2 -0.395 3.568 3.960 0.004 0.000 0.307 326 G HA3 -0.395 3.568 3.960 0.004 0.000 0.307 326 G C 0.309 175.179 174.900 -0.049 0.000 1.226 326 G CA 0.525 45.637 45.100 0.019 0.000 0.997 326 G HN 0.852 nan 8.290 nan 0.000 0.551 327 N N 1.228 119.796 118.700 -0.219 0.000 2.251 327 N HA 0.149 4.891 4.740 0.004 0.000 0.217 327 N C 0.605 175.850 175.510 -0.442 0.000 1.124 327 N CA 0.715 53.354 53.050 -0.685 0.000 0.843 327 N CB 0.292 38.436 38.487 -0.573 0.000 1.024 327 N HN 1.027 nan 8.380 nan 0.000 0.501 328 R N -0.774 119.668 120.500 -0.097 0.000 2.514 328 R HA 0.657 4.999 4.340 0.004 0.000 0.301 328 R C -1.257 174.998 176.300 -0.076 0.000 0.962 328 R CA -0.765 55.290 56.100 -0.074 0.000 0.882 328 R CB 1.474 31.738 30.300 -0.059 0.000 1.143 328 R HN -0.194 nan 8.270 nan 0.000 0.452 329 V N 2.114 121.809 119.914 -0.366 0.000 2.483 329 V HA 0.838 4.960 4.120 0.004 0.000 0.295 329 V C -0.342 175.505 176.094 -0.411 0.000 1.035 329 V CA -0.445 61.568 62.300 -0.479 0.000 0.896 329 V CB 1.518 32.711 31.823 -1.051 0.000 0.986 329 V HN 1.014 nan 8.190 nan 0.000 0.447 330 A N 3.511 126.234 122.820 -0.162 0.000 2.374 330 A HA 0.920 5.243 4.320 0.004 0.000 0.305 330 A C -0.340 177.269 177.584 0.041 0.000 1.053 330 A CA -0.218 51.779 52.037 -0.066 0.000 0.726 330 A CB 1.982 20.965 19.000 -0.028 0.000 1.229 330 A HN 1.083 nan 8.150 nan 0.000 0.431 331 S N 0.636 116.376 115.700 0.067 0.000 2.661 331 S HA 0.579 5.051 4.470 0.004 0.000 0.285 331 S C 1.055 175.703 174.600 0.079 0.000 1.138 331 S CA 0.292 58.573 58.200 0.135 0.000 0.855 331 S CB 1.044 64.356 63.200 0.187 0.000 1.136 331 S HN 1.432 nan 8.310 nan 0.000 0.484 332 S N 1.300 117.045 115.700 0.074 0.000 2.380 332 S HA -0.124 4.349 4.470 0.004 0.000 0.229 332 S C 1.623 176.185 174.600 -0.064 0.000 1.043 332 S CA 1.654 59.860 58.200 0.011 0.000 1.038 332 S CB -0.915 62.299 63.200 0.023 0.000 0.872 332 S HN 0.649 nan 8.310 nan 0.000 0.456 333 L N -2.196 118.994 121.223 -0.055 0.000 2.425 333 L HA 0.341 4.683 4.340 0.004 0.000 0.215 333 L C 0.497 177.128 176.870 -0.400 0.000 1.065 333 L CA 0.005 54.654 54.840 -0.318 0.000 0.842 333 L CB 0.033 41.934 42.059 -0.263 0.000 1.033 333 L HN 0.304 nan 8.230 nan 0.000 0.474 334 W N -0.848 120.449 121.300 -0.005 0.000 2.736 334 W HA 0.563 5.226 4.660 0.004 0.000 0.355 334 W C -0.375 176.117 176.519 -0.045 0.000 1.102 334 W CA -0.391 56.976 57.345 0.037 0.000 1.164 334 W CB 1.713 31.210 29.460 0.063 0.000 1.422 334 W HN -0.429 nan 8.180 nan 0.000 0.572 335 T N 2.412 117.166 114.554 0.333 0.000 3.193 335 T HA 0.567 4.919 4.350 0.004 0.000 0.332 335 T C -1.500 173.317 174.700 0.194 0.000 1.208 335 T CA -0.618 61.536 62.100 0.091 0.000 1.080 335 T CB 0.695 69.606 68.868 0.070 0.000 1.180 335 T HN 0.303 nan 8.240 nan 0.000 0.469 336 F N -0.729 119.185 119.950 -0.060 0.000 2.741 336 F HA 0.815 5.344 4.527 0.003 0.000 0.311 336 F C -0.944 174.824 175.800 -0.054 0.000 1.149 336 F CA -1.122 56.830 58.000 -0.079 0.000 0.930 336 F CB 0.906 39.789 39.000 -0.195 0.000 1.312 336 F HN 0.326 nan 8.300 nan 0.000 0.450 337 S N 1.538 117.353 115.700 0.192 0.000 2.451 337 S HA 0.750 5.222 4.470 0.004 0.000 0.301 337 S C -1.016 173.680 174.600 0.161 0.000 1.116 337 S CA -0.616 57.640 58.200 0.094 0.000 1.093 337 S CB 0.863 64.158 63.200 0.159 0.000 1.017 337 S HN 0.643 nan 8.310 nan 0.000 0.482 338 F N 0.374 120.288 119.950 -0.060 0.000 2.575 338 F HA 1.030 5.560 4.527 0.005 0.000 0.330 338 F C 0.306 176.082 175.800 -0.040 0.000 1.056 338 F CA -0.731 57.162 58.000 -0.179 0.000 0.964 338 F CB 1.092 39.681 39.000 -0.685 0.000 1.258 338 F HN 0.716 nan 8.300 nan 0.000 0.484 339 G N 0.748 109.708 108.800 0.266 0.000 2.488 339 G HA2 0.533 4.496 3.960 0.004 0.000 0.301 339 G HA3 0.533 4.496 3.960 0.004 0.000 0.301 339 G C -2.855 172.344 174.900 0.498 0.000 1.339 339 G CA -0.923 44.367 45.100 0.316 0.000 0.803 339 G HN 0.857 nan 8.290 nan 0.000 0.482 340 L N 0.754 122.220 121.223 0.405 0.000 2.439 340 L HA 0.751 5.094 4.340 0.004 0.000 0.270 340 L C 0.503 177.429 176.870 0.094 0.000 0.972 340 L CA -0.190 54.690 54.840 0.066 0.000 0.836 340 L CB 1.598 43.304 42.059 -0.588 0.000 1.255 340 L HN 1.006 nan 8.230 nan 0.000 0.404 341 G N 2.728 111.557 108.800 0.047 0.000 2.370 341 G HA2 0.454 4.416 3.960 0.004 0.000 0.272 341 G HA3 0.454 4.416 3.960 0.004 0.000 0.272 341 G C 0.843 175.746 174.900 0.005 0.000 1.208 341 G CA 0.069 45.235 45.100 0.111 0.000 0.856 341 G HN 1.048 nan 8.290 nan 0.000 0.500 342 A N 2.229 125.077 122.820 0.047 0.000 1.948 342 A HA -0.016 4.306 4.320 0.004 0.000 0.220 342 A C 1.685 178.937 177.584 -0.552 0.000 1.177 342 A CA 1.585 53.487 52.037 -0.226 0.000 0.636 342 A CB -0.272 18.409 19.000 -0.533 0.000 0.815 342 A HN 0.611 nan 8.150 nan 0.000 0.449 343 F N -1.715 118.327 119.950 0.153 0.000 2.592 343 F HA 0.160 4.689 4.527 0.003 0.000 0.280 343 F C 2.581 178.405 175.800 0.039 0.000 1.083 343 F CA 0.720 58.794 58.000 0.123 0.000 1.365 343 F CB -0.509 38.550 39.000 0.098 0.000 1.100 343 F HN 0.020 nan 8.300 nan 0.000 0.633 344 S N -0.425 115.359 115.700 0.140 0.000 2.402 344 S HA 0.297 4.770 4.470 0.004 0.000 0.229 344 S C 1.241 175.736 174.600 -0.176 0.000 1.021 344 S CA 1.002 59.200 58.200 -0.003 0.000 0.974 344 S CB -0.661 62.561 63.200 0.037 0.000 0.800 344 S HN 0.631 nan 8.310 nan 0.000 0.484 345 G N 0.830 109.519 108.800 -0.186 0.000 2.548 345 G HA2 -0.128 3.834 3.960 0.004 0.000 0.208 345 G HA3 -0.128 3.834 3.960 0.004 0.000 0.208 345 G C -3.245 171.487 174.900 -0.279 0.000 1.308 345 G CA -1.111 43.782 45.100 -0.345 0.000 0.924 345 G HN 0.169 nan 8.290 nan 0.000 0.540 346 P HA 0.291 nan 4.420 nan 0.000 0.265 346 P C 0.002 177.289 177.300 -0.021 0.000 1.187 346 P CA 0.622 63.681 63.100 -0.068 0.000 0.766 346 P CB 0.395 32.030 31.700 -0.108 0.000 0.820 347 R N 0.753 121.330 120.500 0.129 0.000 2.710 347 R HA 0.799 5.141 4.340 0.004 0.000 0.270 347 R C -2.265 173.995 176.300 -0.067 0.000 1.021 347 R CA -0.965 55.098 56.100 -0.062 0.000 0.889 347 R CB 0.983 31.220 30.300 -0.105 0.000 1.243 347 R HN 0.266 nan 8.270 nan 0.000 0.464 348 V N 2.101 121.785 119.914 -0.384 0.000 2.888 348 V HA 0.702 4.824 4.120 0.004 0.000 0.309 348 V C -1.594 174.071 176.094 -0.715 0.000 1.114 348 V CA -0.565 61.541 62.300 -0.323 0.000 0.940 348 V CB 2.234 33.904 31.823 -0.255 0.000 1.021 348 V HN 0.697 nan 8.190 nan 0.000 0.426 349 F N 1.982 121.738 119.950 -0.324 0.000 2.613 349 F HA 0.514 5.044 4.527 0.004 0.000 0.314 349 F C 0.378 175.896 175.800 -0.469 0.000 1.075 349 F CA -0.596 56.994 58.000 -0.683 0.000 0.945 349 F CB 1.635 39.697 39.000 -1.565 0.000 1.310 349 F HN 0.573 nan 8.300 nan 0.000 0.467 350 D N 1.209 121.446 120.400 -0.271 0.000 2.699 350 D HA -0.146 4.496 4.640 0.004 0.000 0.239 350 D C -0.955 175.417 176.300 0.120 0.000 1.136 350 D CA 0.293 54.295 54.000 0.003 0.000 0.668 350 D CB -0.660 40.220 40.800 0.134 0.000 1.060 350 D HN 0.172 nan 8.370 nan 0.000 0.429 351 V N 1.796 121.779 119.914 0.115 0.000 2.470 351 V HA 0.281 4.404 4.120 0.004 0.000 0.276 351 V C 1.213 177.492 176.094 0.308 0.000 1.040 351 V CA 0.320 62.767 62.300 0.246 0.000 1.008 351 V CB 1.017 32.965 31.823 0.209 0.000 0.990 351 V HN 0.129 nan 8.190 nan 0.000 0.477 352 R N 3.987 124.714 120.500 0.378 0.000 2.599 352 R HA 0.553 4.895 4.340 0.004 0.000 0.295 352 R C -1.349 175.136 176.300 0.307 0.000 0.963 352 R CA -0.637 55.646 56.100 0.304 0.000 0.883 352 R CB 2.369 32.786 30.300 0.194 0.000 1.171 352 R HN 0.591 nan 8.270 nan 0.000 0.450 353 F N 2.609 122.564 119.950 0.008 0.000 2.426 353 F HA 0.160 4.689 4.527 0.004 0.000 0.348 353 F C 0.194 175.955 175.800 -0.064 0.000 1.124 353 F CA -0.298 57.529 58.000 -0.289 0.000 1.008 353 F CB 1.167 39.945 39.000 -0.370 0.000 1.139 353 F HN 0.612 nan 8.300 nan 0.000 0.452 354 Q N 4.463 123.865 119.800 -0.663 0.000 2.435 354 Q HA -0.253 4.089 4.340 0.004 0.000 0.312 354 Q C 1.149 177.091 176.000 -0.096 0.000 1.333 354 Q CA 0.942 56.517 55.803 -0.381 0.000 0.883 354 Q CB -1.699 26.813 28.738 -0.378 0.000 1.170 354 Q HN 1.334 nan 8.270 nan 0.000 0.443 355 G N -0.203 108.570 108.800 -0.045 0.000 2.267 355 G HA2 -0.377 3.585 3.960 0.004 0.000 0.257 355 G HA3 -0.377 3.585 3.960 0.004 0.000 0.257 355 G C -0.051 174.903 174.900 0.090 0.000 0.998 355 G CA 0.465 45.581 45.100 0.027 0.000 0.620 355 G HN 0.492 nan 8.290 nan 0.000 0.529 356 E N 0.725 121.014 120.200 0.147 0.000 2.174 356 E HA 0.494 4.847 4.350 0.004 0.000 0.282 356 E C 0.620 177.362 176.600 0.238 0.000 0.992 356 E CA -0.941 55.585 56.400 0.210 0.000 0.803 356 E CB 0.488 30.364 29.700 0.293 0.000 1.090 356 E HN 0.380 nan 8.360 nan 0.000 0.396 357 R N 4.845 125.468 120.500 0.204 0.000 2.401 357 R HA 0.073 4.416 4.340 0.004 0.000 0.299 357 R C 0.344 176.745 176.300 0.168 0.000 1.064 357 R CA 0.082 56.297 56.100 0.193 0.000 1.000 357 R CB 0.408 30.819 30.300 0.185 0.000 0.973 357 R HN 0.697 nan 8.270 nan 0.000 0.438 358 L N 3.174 124.448 121.223 0.085 0.000 2.470 358 L HA 0.380 4.722 4.340 0.004 0.000 0.219 358 L C 0.473 177.289 176.870 -0.090 0.000 1.071 358 L CA 0.124 54.883 54.840 -0.134 0.000 0.850 358 L CB 0.394 42.196 42.059 -0.428 0.000 1.040 358 L HN 0.670 nan 8.230 nan 0.000 0.475 359 A N -1.931 120.893 122.820 0.006 0.000 2.517 359 A HA 0.345 4.667 4.320 0.004 0.000 0.297 359 A C -0.598 177.026 177.584 0.066 0.000 1.050 359 A CA -0.531 51.513 52.037 0.012 0.000 0.694 359 A CB 0.718 19.680 19.000 -0.063 0.000 1.277 359 A HN 0.136 nan 8.150 nan 0.000 0.400 360 Y N 1.492 121.788 120.300 -0.007 0.000 2.263 360 Y HA 0.169 4.722 4.550 0.003 0.000 0.292 360 Y C 0.738 176.620 175.900 -0.031 0.000 1.130 360 Y CA 2.331 60.449 58.100 0.030 0.000 1.179 360 Y CB 0.356 38.858 38.460 0.069 0.000 0.998 360 Y HN 0.743 nan 8.280 nan 0.000 0.532 361 E N -0.080 120.021 120.200 -0.165 0.000 2.363 361 E HA 0.428 4.780 4.350 0.004 0.000 0.281 361 E C -1.935 174.452 176.600 -0.355 0.000 0.953 361 E CA -0.618 55.509 56.400 -0.455 0.000 0.778 361 E CB 1.410 30.883 29.700 -0.378 0.000 1.220 361 E HN 0.134 nan 8.360 nan 0.000 0.431 362 I N 3.346 123.655 120.570 -0.436 0.000 2.500 362 I HA 0.342 4.515 4.170 0.004 0.000 0.286 362 I C -0.944 175.006 176.117 -0.278 0.000 1.063 362 I CA -0.475 60.666 61.300 -0.265 0.000 1.062 362 I CB 1.858 39.742 38.000 -0.193 0.000 1.223 362 I HN 0.612 nan 8.210 nan 0.000 0.435 363 S N 5.607 121.199 115.700 -0.180 0.000 2.570 363 S HA 0.627 5.099 4.470 0.004 0.000 0.270 363 S C -1.119 173.413 174.600 -0.112 0.000 1.149 363 S CA -0.877 57.229 58.200 -0.156 0.000 0.837 363 S CB 2.125 65.179 63.200 -0.244 0.000 1.124 363 S HN 0.433 nan 8.310 nan 0.000 0.465 364 L N 1.945 123.021 121.223 -0.246 0.000 2.416 364 L HA 0.448 4.790 4.340 0.004 0.000 0.272 364 L C 0.972 177.596 176.870 -0.409 0.000 1.161 364 L CA 0.666 55.160 54.840 -0.576 0.000 0.845 364 L CB 0.312 41.864 42.059 -0.845 0.000 1.119 364 L HN 0.848 nan 8.230 nan 0.000 0.464 365 Q N 2.100 121.631 119.800 -0.448 0.000 2.511 365 Q HA 0.268 4.611 4.340 0.004 0.000 0.236 365 Q C -0.190 175.623 176.000 -0.312 0.000 0.893 365 Q CA 0.344 55.999 55.803 -0.246 0.000 0.947 365 Q CB 0.842 29.517 28.738 -0.106 0.000 1.110 365 Q HN 0.727 nan 8.270 nan 0.000 0.591 366 E N -0.996 118.906 120.200 -0.496 0.000 2.407 366 E HA 0.668 5.021 4.350 0.004 0.000 0.279 366 E C -2.046 174.324 176.600 -0.384 0.000 1.012 366 E CA -0.465 55.687 56.400 -0.413 0.000 0.800 366 E CB 1.900 31.291 29.700 -0.514 0.000 1.276 366 E HN 0.089 nan 8.360 nan 0.000 0.452 367 A N 1.045 123.797 122.820 -0.114 0.000 2.486 367 A HA 0.913 5.235 4.320 0.004 0.000 0.300 367 A C -0.534 177.144 177.584 0.157 0.000 1.048 367 A CA -0.052 51.981 52.037 -0.006 0.000 0.696 367 A CB 1.737 20.691 19.000 -0.076 0.000 1.278 367 A HN 0.726 nan 8.150 nan 0.000 0.405 368 G N -0.655 108.281 108.800 0.226 0.000 2.695 368 G HA2 0.864 4.826 3.960 0.004 0.000 0.290 368 G HA3 0.864 4.826 3.960 0.004 0.000 0.290 368 G C -1.044 173.930 174.900 0.124 0.000 1.410 368 G CA 0.068 45.283 45.100 0.192 0.000 0.844 368 G HN 1.975 nan 8.290 nan 0.000 0.478 369 A N -0.180 122.687 122.820 0.077 0.000 2.437 369 A HA 0.707 5.029 4.320 0.004 0.000 0.293 369 A C -1.282 176.223 177.584 -0.132 0.000 1.038 369 A CA -0.467 51.541 52.037 -0.049 0.000 0.708 369 A CB 1.927 20.989 19.000 0.105 0.000 1.251 369 A HN 1.267 nan 8.150 nan 0.000 0.409 370 V N 3.274 123.029 119.914 -0.266 0.000 2.384 370 V HA 0.428 4.551 4.120 0.004 0.000 0.287 370 V C -0.892 175.052 176.094 -0.251 0.000 1.020 370 V CA -0.290 61.875 62.300 -0.225 0.000 0.850 370 V CB 0.883 32.570 31.823 -0.227 0.000 0.987 370 V HN 0.821 nan 8.190 nan 0.000 0.436 371 Y N 2.240 122.460 120.300 -0.133 0.000 2.488 371 Y HA 0.795 5.348 4.550 0.004 0.000 0.325 371 Y C 0.826 176.684 175.900 -0.071 0.000 1.204 371 Y CA -0.087 57.958 58.100 -0.091 0.000 1.229 371 Y CB 2.087 40.451 38.460 -0.160 0.000 1.274 371 Y HN 0.694 nan 8.280 nan 0.000 0.493 372 G N -0.791 108.095 108.800 0.143 0.000 2.619 372 G HA2 0.657 4.619 3.960 0.004 0.000 0.296 372 G HA3 0.657 4.619 3.960 0.004 0.000 0.296 372 G C -0.887 174.032 174.900 0.033 0.000 1.334 372 G CA -0.354 44.799 45.100 0.089 0.000 0.934 372 G HN 0.975 nan 8.290 nan 0.000 0.476 373 G N -0.212 108.445 108.800 -0.239 0.000 2.324 373 G HA2 0.422 4.385 3.960 0.004 0.000 0.293 373 G HA3 0.422 4.385 3.960 0.004 0.000 0.293 373 G C -0.514 173.817 174.900 -0.949 0.000 1.297 373 G CA 0.161 45.001 45.100 -0.434 0.000 0.853 373 G HN 1.253 nan 8.290 nan 0.000 0.535 374 N N -1.088 117.241 118.700 -0.620 0.000 2.238 374 N HA 0.216 4.958 4.740 0.004 0.000 0.235 374 N C 0.275 175.695 175.510 -0.149 0.000 1.209 374 N CA 0.611 53.387 53.050 -0.457 0.000 0.879 374 N CB 0.742 38.989 38.487 -0.400 0.000 1.136 374 N HN 0.849 nan 8.380 nan 0.000 0.517 375 T N -3.104 111.263 114.554 -0.312 0.000 2.885 375 T HA 0.484 4.836 4.350 0.004 0.000 0.285 375 T C -2.114 172.146 174.700 -0.733 0.000 1.019 375 T CA -1.780 59.914 62.100 -0.677 0.000 1.010 375 T CB 2.669 71.266 68.868 -0.451 0.000 1.022 375 T HN -0.352 nan 8.240 nan 0.000 0.466 376 P HA -0.281 nan 4.420 nan 0.000 0.216 376 P C 1.748 178.658 177.300 -0.650 0.000 1.151 376 P CA 2.356 64.826 63.100 -1.050 0.000 0.953 376 P CB -0.264 30.178 31.700 -2.095 0.000 0.789 377 A N -0.690 121.825 122.820 -0.509 0.000 1.908 377 A HA -0.150 4.172 4.320 0.004 0.000 0.218 377 A C 2.352 179.748 177.584 -0.313 0.000 1.181 377 A CA 2.468 54.326 52.037 -0.298 0.000 0.627 377 A CB -1.694 17.186 19.000 -0.200 0.000 0.818 377 A HN 0.240 nan 8.150 nan 0.000 0.445 378 A N 0.027 122.665 122.820 -0.304 0.000 1.969 378 A HA -0.052 4.270 4.320 0.004 0.000 0.218 378 A C 2.224 179.716 177.584 -0.153 0.000 1.169 378 A CA 1.790 53.689 52.037 -0.229 0.000 0.635 378 A CB -0.605 18.303 19.000 -0.153 0.000 0.810 378 A HN 0.864 nan 8.150 nan 0.000 0.445 379 M N -2.318 117.147 119.600 -0.226 0.000 2.541 379 M HA 0.306 4.789 4.480 0.004 0.000 0.252 379 M C 1.429 177.657 176.300 -0.119 0.000 1.125 379 M CA 1.126 56.315 55.300 -0.186 0.000 1.091 379 M CB 0.129 32.576 32.600 -0.255 0.000 1.420 379 M HN 0.180 nan 8.290 nan 0.000 0.486 380 L N 0.481 121.624 121.223 -0.133 0.000 2.537 380 L HA 0.389 4.732 4.340 0.004 0.000 0.224 380 L C 0.147 176.960 176.870 -0.094 0.000 1.065 380 L CA 0.694 55.492 54.840 -0.070 0.000 0.860 380 L CB 0.303 42.346 42.059 -0.027 0.000 1.086 380 L HN 0.099 nan 8.230 nan 0.000 0.482 381 T N 2.242 116.686 114.554 -0.183 0.000 2.902 381 T HA 0.253 4.605 4.350 0.004 0.000 0.301 381 T C -0.149 174.404 174.700 -0.245 0.000 1.012 381 T CA 0.386 62.293 62.100 -0.322 0.000 1.151 381 T CB 0.098 68.619 68.868 -0.578 0.000 0.946 381 T HN 0.118 nan 8.240 nan 0.000 0.542 382 R N 2.310 122.623 120.500 -0.311 0.000 2.575 382 R HA 0.308 4.650 4.340 0.004 0.000 0.292 382 R C -1.541 174.638 176.300 -0.202 0.000 1.246 382 R CA -0.500 55.440 56.100 -0.267 0.000 0.973 382 R CB 0.636 30.805 30.300 -0.219 0.000 1.187 382 R HN 0.517 nan 8.270 nan 0.000 0.478 383 Y N 2.423 122.691 120.300 -0.053 0.000 2.308 383 Y HA 0.435 4.988 4.550 0.004 0.000 0.329 383 Y C 0.512 176.428 175.900 0.027 0.000 1.111 383 Y CA -0.625 57.508 58.100 0.054 0.000 1.179 383 Y CB 1.327 39.862 38.460 0.125 0.000 1.201 383 Y HN 0.348 nan 8.280 nan 0.000 0.483 384 M N 3.292 123.070 119.600 0.298 0.000 1.960 384 M HA 0.196 4.678 4.480 0.004 0.000 0.271 384 M C 0.012 176.449 176.300 0.229 0.000 0.862 384 M CA -0.368 55.063 55.300 0.218 0.000 0.854 384 M CB 0.970 33.675 32.600 0.176 0.000 1.575 384 M HN 0.584 nan 8.290 nan 0.000 0.375 385 D N 0.273 120.828 120.400 0.258 0.000 2.239 385 D HA -0.166 4.476 4.640 0.004 0.000 0.202 385 D C 1.914 178.368 176.300 0.256 0.000 0.993 385 D CA 1.836 56.015 54.000 0.298 0.000 0.874 385 D CB 0.062 40.976 40.800 0.190 0.000 0.922 385 D HN 0.601 nan 8.370 nan 0.000 0.464 386 S N -0.552 115.241 115.700 0.155 0.000 2.469 386 S HA -0.067 4.405 4.470 0.004 0.000 0.238 386 S C 2.132 176.826 174.600 0.156 0.000 0.998 386 S CA 0.991 59.299 58.200 0.180 0.000 0.957 386 S CB -0.664 62.604 63.200 0.113 0.000 0.764 386 S HN 0.283 nan 8.310 nan 0.000 0.514 387 G N -0.008 108.780 108.800 -0.020 0.000 2.509 387 G HA2 0.077 4.039 3.960 0.004 0.000 0.218 387 G HA3 0.077 4.039 3.960 0.004 0.000 0.218 387 G C 0.864 175.596 174.900 -0.281 0.000 1.124 387 G CA 0.562 45.501 45.100 -0.269 0.000 0.776 387 G HN 0.618 nan 8.290 nan 0.000 0.547 388 F N -0.076 120.028 119.950 0.257 0.000 2.480 388 F HA 0.439 4.968 4.527 0.004 0.000 0.280 388 F C 1.445 177.670 175.800 0.708 0.000 1.002 388 F CA 0.678 58.891 58.000 0.354 0.000 1.325 388 F CB 0.353 39.172 39.000 -0.302 0.000 1.134 388 F HN 0.240 nan 8.300 nan 0.000 0.646 389 G N 0.599 109.793 108.800 0.658 0.000 3.220 389 G HA2 -0.059 3.903 3.960 0.004 0.000 0.636 389 G HA3 -0.059 3.903 3.960 0.004 0.000 0.636 389 G C -0.189 174.960 174.900 0.414 0.000 1.226 389 G CA -0.709 44.754 45.100 0.604 0.000 1.177 389 G HN 0.018 nan 8.290 nan 0.000 0.527 390 M N 1.793 121.517 119.600 0.206 0.000 2.460 390 M HA 0.136 4.618 4.480 0.004 0.000 0.263 390 M C 2.357 178.651 176.300 -0.010 0.000 1.071 390 M CA 2.549 57.926 55.300 0.128 0.000 1.096 390 M CB -0.054 32.541 32.600 -0.008 0.000 1.408 390 M HN 0.740 nan 8.290 nan 0.000 0.463 391 G N -1.609 107.121 108.800 -0.116 0.000 2.471 391 G HA2 -0.186 3.776 3.960 0.004 0.000 0.211 391 G HA3 -0.186 3.776 3.960 0.004 0.000 0.211 391 G C 1.373 176.094 174.900 -0.297 0.000 1.194 391 G CA 0.059 44.885 45.100 -0.458 0.000 0.816 391 G HN 0.364 nan 8.290 nan 0.000 0.545 392 Y N 1.279 121.478 120.300 -0.168 0.000 2.151 392 Y HA -0.072 4.481 4.550 0.004 0.000 0.284 392 Y C 1.759 177.512 175.900 -0.246 0.000 1.166 392 Y CA 0.822 58.800 58.100 -0.203 0.000 1.163 392 Y CB -0.568 37.866 38.460 -0.043 0.000 0.974 392 Y HN 0.169 nan 8.280 nan 0.000 0.511 393 F N 0.491 120.362 119.950 -0.132 0.000 2.731 393 F HA 0.365 4.894 4.527 0.004 0.000 0.304 393 F C 1.282 176.995 175.800 -0.145 0.000 1.133 393 F CA 0.033 57.917 58.000 -0.193 0.000 1.380 393 F CB -0.605 38.341 39.000 -0.090 0.000 1.079 393 F HN 0.055 nan 8.300 nan 0.000 0.550 394 A N 0.468 123.239 122.820 -0.083 0.000 2.407 394 A HA 0.485 4.807 4.320 0.004 0.000 0.248 394 A C 0.555 178.071 177.584 -0.113 0.000 1.082 394 A CA 0.003 51.967 52.037 -0.121 0.000 0.785 394 A CB -0.014 18.800 19.000 -0.309 0.000 1.020 394 A HN 0.261 nan 8.150 nan 0.000 0.489 395 T N -0.200 114.305 114.554 -0.083 0.000 2.940 395 T HA 0.701 5.053 4.350 0.004 0.000 0.288 395 T C -3.055 171.617 174.700 -0.045 0.000 1.045 395 T CA -2.142 59.923 62.100 -0.059 0.000 1.018 395 T CB 1.241 70.077 68.868 -0.053 0.000 1.151 395 T HN 0.342 nan 8.240 nan 0.000 0.529 396 P HA 0.265 nan 4.420 nan 0.000 0.271 396 P C -0.510 176.792 177.300 0.004 0.000 1.226 396 P CA -0.362 62.749 63.100 0.018 0.000 0.765 396 P CB 0.185 31.911 31.700 0.044 0.000 0.835 397 L N 4.422 125.668 121.223 0.038 0.000 2.462 397 L HA 0.145 4.488 4.340 0.004 0.000 0.272 397 L C 0.737 177.621 176.870 0.024 0.000 1.166 397 L CA -0.128 54.745 54.840 0.054 0.000 0.880 397 L CB -0.149 42.010 42.059 0.166 0.000 1.142 397 L HN 0.283 nan 8.230 nan 0.000 0.473 398 I N 4.828 125.380 120.570 -0.030 0.000 2.421 398 I HA 0.074 4.247 4.170 0.004 0.000 0.291 398 I C 0.633 176.674 176.117 -0.125 0.000 1.089 398 I CA -0.221 61.031 61.300 -0.081 0.000 1.354 398 I CB -0.046 37.900 38.000 -0.090 0.000 1.413 398 I HN 0.533 nan 8.210 nan 0.000 0.513 399 R N 5.341 125.724 120.500 -0.194 0.000 2.484 399 R HA 0.180 4.522 4.340 0.004 0.000 0.293 399 R C 1.225 177.147 176.300 -0.629 0.000 1.023 399 R CA 0.723 56.651 56.100 -0.288 0.000 1.037 399 R CB 0.166 30.282 30.300 -0.307 0.000 0.951 399 R HN 1.042 nan 8.270 nan 0.000 0.418 400 G N 1.203 109.515 108.800 -0.815 0.000 2.268 400 G HA2 -0.303 3.660 3.960 0.004 0.000 0.240 400 G HA3 -0.303 3.660 3.960 0.004 0.000 0.240 400 G C 0.591 175.196 174.900 -0.492 0.000 1.010 400 G CA 0.278 44.664 45.100 -1.189 0.000 0.618 400 G HN 0.445 nan 8.290 nan 0.000 0.516 401 V N 0.517 120.234 119.914 -0.328 0.000 2.735 401 V HA 0.157 4.279 4.120 0.004 0.000 0.234 401 V C 2.173 178.160 176.094 -0.178 0.000 1.121 401 V CA 1.839 64.019 62.300 -0.200 0.000 1.160 401 V CB -0.209 31.528 31.823 -0.144 0.000 0.908 401 V HN 0.245 nan 8.190 nan 0.000 0.495 402 D N -0.473 119.837 120.400 -0.150 0.000 2.194 402 D HA 0.025 4.668 4.640 0.004 0.000 0.204 402 D C 0.486 176.689 176.300 -0.161 0.000 0.964 402 D CA 0.943 54.868 54.000 -0.123 0.000 0.846 402 D CB 0.213 40.971 40.800 -0.070 0.000 0.962 402 D HN 0.403 nan 8.370 nan 0.000 0.490 403 c N -0.377 118.100 118.600 -0.205 0.000 3.171 403 c HA 0.411 4.983 4.570 0.004 0.000 0.308 403 c C -2.480 171.359 174.090 -0.419 0.000 1.334 403 c CA -1.634 54.436 56.329 -0.432 0.000 1.473 403 c CB 1.963 44.270 42.510 -0.339 0.000 1.866 403 c HN -0.016 nan 8.230 nan 0.000 0.465 404 P HA 0.107 nan 4.420 nan 0.000 0.269 404 P C -0.041 177.216 177.300 -0.072 0.000 1.215 404 P CA 0.218 63.125 63.100 -0.321 0.000 0.780 404 P CB 0.252 31.755 31.700 -0.328 0.000 0.898 405 Y N 1.018 121.328 120.300 0.016 0.000 2.207 405 Y HA -0.155 4.397 4.550 0.004 0.000 0.287 405 Y C 1.778 177.769 175.900 0.150 0.000 1.156 405 Y CA 1.581 59.728 58.100 0.079 0.000 1.182 405 Y CB -0.726 37.751 38.460 0.028 0.000 0.979 405 Y HN 0.245 nan 8.280 nan 0.000 0.521 406 L N -0.536 120.843 121.223 0.261 0.000 2.645 406 L HA 0.247 4.589 4.340 0.004 0.000 0.234 406 L C 1.085 178.083 176.870 0.213 0.000 1.165 406 L CA -0.453 54.517 54.840 0.216 0.000 0.944 406 L CB -0.729 41.423 42.059 0.155 0.000 1.149 406 L HN 0.035 nan 8.230 nan 0.000 0.446 407 A N -0.186 122.745 122.820 0.185 0.000 2.327 407 A HA 0.421 4.743 4.320 0.004 0.000 0.255 407 A C 0.348 177.983 177.584 0.086 0.000 1.099 407 A CA -0.040 52.052 52.037 0.093 0.000 0.801 407 A CB 0.188 19.047 19.000 -0.236 0.000 1.062 407 A HN 0.156 nan 8.150 nan 0.000 0.496 408 T N 1.409 116.024 114.554 0.102 0.000 2.771 408 T HA 0.497 4.849 4.350 0.004 0.000 0.291 408 T C -1.055 173.647 174.700 0.003 0.000 0.954 408 T CA 0.530 62.723 62.100 0.155 0.000 1.045 408 T CB -0.121 68.892 68.868 0.242 0.000 0.917 408 T HN 0.355 nan 8.240 nan 0.000 0.484 409 Y N 2.282 122.695 120.300 0.189 0.000 2.420 409 Y HA 0.687 5.239 4.550 0.004 0.000 0.334 409 Y C 0.128 176.175 175.900 0.245 0.000 1.094 409 Y CA -1.350 56.873 58.100 0.204 0.000 1.126 409 Y CB 1.354 39.912 38.460 0.163 0.000 1.217 409 Y HN 0.462 nan 8.280 nan 0.000 0.462 410 M N 1.759 121.641 119.600 0.469 0.000 2.530 410 M HA 0.373 4.855 4.480 0.004 0.000 0.307 410 M C -1.201 175.461 176.300 0.604 0.000 1.161 410 M CA -0.633 54.979 55.300 0.521 0.000 0.903 410 M CB 1.692 34.611 32.600 0.532 0.000 1.711 410 M HN 0.459 nan 8.290 nan 0.000 0.451 411 D N 0.164 120.861 120.400 0.495 0.000 2.388 411 D HA 0.529 5.171 4.640 0.004 0.000 0.254 411 D C -1.587 174.991 176.300 0.462 0.000 1.111 411 D CA 0.124 54.321 54.000 0.328 0.000 0.993 411 D CB 1.128 42.009 40.800 0.134 0.000 1.118 411 D HN 0.559 nan 8.370 nan 0.000 0.502 412 W N 0.254 121.511 121.300 -0.071 0.000 3.032 412 W HA 0.380 5.042 4.660 0.003 0.000 0.335 412 W C -1.353 175.006 176.519 -0.266 0.000 1.154 412 W CA -0.462 56.902 57.345 0.033 0.000 1.204 412 W CB 0.865 30.340 29.460 0.026 0.000 1.416 412 W HN 0.320 nan 8.180 nan 0.000 0.521 413 H N 4.739 123.559 119.070 -0.417 0.000 2.637 413 H HA 0.700 5.259 4.556 0.004 0.000 0.363 413 H C -0.702 174.133 175.328 -0.821 0.000 1.131 413 H CA -0.519 55.258 56.048 -0.453 0.000 1.183 413 H CB 1.569 31.180 29.762 -0.251 0.000 1.637 413 H HN 0.285 nan 8.280 nan 0.000 0.531 414 F N -0.334 119.163 119.950 -0.756 0.000 2.686 414 F HA 0.630 5.160 4.527 0.003 0.000 0.311 414 F C -1.704 173.865 175.800 -0.384 0.000 1.128 414 F CA -1.324 56.231 58.000 -0.741 0.000 0.946 414 F CB 1.339 39.647 39.000 -1.154 0.000 1.336 414 F HN 0.440 nan 8.300 nan 0.000 0.457 415 V N 2.988 122.726 119.914 -0.293 0.000 2.445 415 V HA 0.788 4.910 4.120 0.004 0.000 0.283 415 V C -2.026 173.929 176.094 -0.231 0.000 1.014 415 V CA -0.364 61.752 62.300 -0.306 0.000 0.852 415 V CB 1.257 32.946 31.823 -0.222 0.000 1.021 415 V HN 0.849 nan 8.190 nan 0.000 0.435 416 V N 5.489 125.251 119.914 -0.254 0.000 2.612 416 V HA 0.567 4.689 4.120 0.004 0.000 0.301 416 V C 0.325 176.186 176.094 -0.389 0.000 1.059 416 V CA -0.470 61.525 62.300 -0.508 0.000 0.886 416 V CB 1.548 32.844 31.823 -0.878 0.000 1.007 416 V HN 0.983 nan 8.190 nan 0.000 0.426 417 E N 1.325 121.314 120.200 -0.352 0.000 2.586 417 E HA -0.199 4.154 4.350 0.004 0.000 0.259 417 E C 0.098 176.695 176.600 -0.006 0.000 1.107 417 E CA 1.040 57.403 56.400 -0.062 0.000 0.754 417 E CB -0.665 29.108 29.700 0.122 0.000 1.335 417 E HN 0.731 nan 8.360 nan 0.000 0.411 418 S N -0.743 114.912 115.700 -0.075 0.000 2.547 418 S HA 0.286 4.758 4.470 0.004 0.000 0.270 418 S C 0.110 174.658 174.600 -0.086 0.000 1.150 418 S CA -0.320 57.843 58.200 -0.063 0.000 0.850 418 S CB 1.792 64.936 63.200 -0.094 0.000 1.118 418 S HN 0.259 nan 8.310 nan 0.000 0.461 419 Q N 1.112 120.877 119.800 -0.059 0.000 2.280 419 Q HA 0.246 4.588 4.340 0.004 0.000 0.201 419 Q C 0.005 175.962 176.000 -0.072 0.000 0.890 419 Q CA -0.145 55.623 55.803 -0.058 0.000 0.947 419 Q CB 0.027 28.748 28.738 -0.028 0.000 1.081 419 Q HN 0.647 nan 8.270 nan 0.000 0.502 420 T N -1.504 112.991 114.554 -0.099 0.000 2.886 420 T HA 0.532 4.884 4.350 0.004 0.000 0.292 420 T C -2.979 171.610 174.700 -0.185 0.000 1.012 420 T CA -2.431 59.602 62.100 -0.112 0.000 0.982 420 T CB 1.868 70.687 68.868 -0.082 0.000 1.018 420 T HN -0.172 nan 8.240 nan 0.000 0.451 421 P HA 0.365 nan 4.420 nan 0.000 0.266 421 P C -0.602 176.486 177.300 -0.353 0.000 1.195 421 P CA -0.305 62.618 63.100 -0.295 0.000 0.768 421 P CB 0.389 31.966 31.700 -0.205 0.000 0.838 422 K N 0.834 120.849 120.400 -0.643 0.000 2.267 422 K HA 0.662 4.984 4.320 0.004 0.000 0.246 422 K C -0.310 176.012 176.600 -0.464 0.000 0.954 422 K CA -0.568 55.354 56.287 -0.608 0.000 0.824 422 K CB 1.476 33.385 32.500 -0.985 0.000 1.167 422 K HN 0.360 nan 8.250 nan 0.000 0.431 423 T N 0.980 115.407 114.554 -0.212 0.000 2.856 423 T HA 0.472 4.824 4.350 0.004 0.000 0.283 423 T C -1.096 173.476 174.700 -0.214 0.000 1.008 423 T CA -0.851 61.106 62.100 -0.238 0.000 0.997 423 T CB 0.478 69.204 68.868 -0.238 0.000 0.992 423 T HN 0.407 nan 8.240 nan 0.000 0.454 424 L N 5.134 126.307 121.223 -0.083 0.000 2.283 424 L HA 0.440 4.782 4.340 0.004 0.000 0.281 424 L C -0.468 176.343 176.870 -0.098 0.000 1.033 424 L CA -0.780 54.078 54.840 0.030 0.000 0.848 424 L CB 0.187 42.399 42.059 0.255 0.000 1.226 424 L HN 0.911 nan 8.230 nan 0.000 0.429 425 H N 3.581 122.709 119.070 0.096 0.000 2.848 425 H HA 0.071 4.630 4.556 0.004 0.000 0.341 425 H C -0.210 175.170 175.328 0.087 0.000 1.060 425 H CA 0.090 56.190 56.048 0.087 0.000 1.444 425 H CB 0.409 30.207 29.762 0.060 0.000 1.446 425 H HN 0.520 nan 8.280 nan 0.000 0.583 426 D N 1.293 121.837 120.400 0.241 0.000 2.705 426 D HA -0.189 4.453 4.640 0.004 0.000 0.240 426 D C 0.812 177.205 176.300 0.156 0.000 1.137 426 D CA 0.867 55.020 54.000 0.254 0.000 0.677 426 D CB -1.154 39.741 40.800 0.158 0.000 1.049 426 D HN 0.759 nan 8.370 nan 0.000 0.427 427 A N -0.967 121.884 122.820 0.053 0.000 2.021 427 A HA 0.271 4.593 4.320 0.004 0.000 0.216 427 A C 0.632 177.943 177.584 -0.455 0.000 1.163 427 A CA 0.758 52.620 52.037 -0.291 0.000 0.676 427 A CB 0.262 18.950 19.000 -0.519 0.000 0.818 427 A HN 0.246 nan 8.150 nan 0.000 0.453 428 F N -1.907 118.129 119.950 0.144 0.000 2.640 428 F HA 0.603 5.133 4.527 0.005 0.000 0.324 428 F C 0.046 175.865 175.800 0.033 0.000 1.077 428 F CA -1.247 56.784 58.000 0.051 0.000 0.965 428 F CB 1.419 40.510 39.000 0.152 0.000 1.351 428 F HN 0.216 nan 8.300 nan 0.000 0.487 429 c N -0.067 118.616 118.600 0.139 0.000 3.171 429 c HA 0.929 5.502 4.570 0.004 0.000 0.336 429 c C -1.684 172.447 174.090 0.069 0.000 1.198 429 c CA -0.863 55.425 56.329 -0.068 0.000 1.319 429 c CB 0.900 43.200 42.510 -0.351 0.000 1.682 429 c HN 0.754 nan 8.230 nan 0.000 0.497 430 V N 3.464 123.422 119.914 0.073 0.000 2.709 430 V HA 0.950 5.072 4.120 0.004 0.000 0.308 430 V C -0.435 175.739 176.094 0.133 0.000 1.062 430 V CA -0.114 62.197 62.300 0.018 0.000 0.901 430 V CB 1.626 33.415 31.823 -0.057 0.000 1.003 430 V HN 1.180 nan 8.190 nan 0.000 0.425 431 F N 0.863 120.678 119.950 -0.224 0.000 2.773 431 F HA 0.684 5.213 4.527 0.004 0.000 0.314 431 F C -0.900 174.791 175.800 -0.182 0.000 1.160 431 F CA -1.188 56.761 58.000 -0.085 0.000 0.920 431 F CB 1.355 40.352 39.000 -0.004 0.000 1.323 431 F HN 0.379 nan 8.300 nan 0.000 0.457 432 E N 1.055 121.317 120.200 0.104 0.000 2.175 432 E HA 0.409 4.762 4.350 0.004 0.000 0.278 432 E C -1.401 175.288 176.600 0.149 0.000 0.969 432 E CA -0.947 55.454 56.400 0.001 0.000 0.796 432 E CB 1.986 31.758 29.700 0.120 0.000 1.104 432 E HN 0.536 nan 8.360 nan 0.000 0.395 433 Q N 2.813 122.625 119.800 0.019 0.000 2.312 433 Q HA 0.198 4.540 4.340 0.004 0.000 0.263 433 Q C -1.167 174.858 176.000 0.042 0.000 0.995 433 Q CA -0.696 55.168 55.803 0.102 0.000 0.853 433 Q CB 1.204 29.987 28.738 0.076 0.000 1.300 433 Q HN 0.354 nan 8.270 nan 0.000 0.448 434 N N 3.522 122.263 118.700 0.068 0.000 2.439 434 N HA 0.123 4.865 4.740 0.004 0.000 0.249 434 N C -0.121 175.417 175.510 0.045 0.000 1.003 434 N CA -0.057 53.025 53.050 0.053 0.000 0.942 434 N CB 0.791 39.315 38.487 0.062 0.000 1.115 434 N HN 0.613 nan 8.380 nan 0.000 0.505 435 K N 2.262 122.684 120.400 0.037 0.000 2.442 435 K HA -0.032 4.290 4.320 0.004 0.000 0.198 435 K C 0.860 177.489 176.600 0.049 0.000 1.042 435 K CA 0.658 56.972 56.287 0.046 0.000 0.958 435 K CB -0.147 32.392 32.500 0.066 0.000 0.766 435 K HN 0.844 nan 8.250 nan 0.000 0.474 436 G N 1.773 110.602 108.800 0.047 0.000 2.168 436 G HA2 -0.263 3.700 3.960 0.004 0.000 0.257 436 G HA3 -0.263 3.700 3.960 0.004 0.000 0.257 436 G C -0.258 174.667 174.900 0.042 0.000 0.997 436 G CA 0.351 45.476 45.100 0.042 0.000 0.708 436 G HN 0.268 nan 8.290 nan 0.000 0.520 437 L N 1.416 122.671 121.223 0.052 0.000 2.381 437 L HA 0.693 5.036 4.340 0.004 0.000 0.274 437 L C -2.029 174.877 176.870 0.060 0.000 0.988 437 L CA -2.532 52.339 54.840 0.052 0.000 0.824 437 L CB 1.741 43.836 42.059 0.060 0.000 1.263 437 L HN -0.057 nan 8.230 nan 0.000 0.410 438 P HA -0.020 nan 4.420 nan 0.000 0.267 438 P C 0.547 177.889 177.300 0.070 0.000 1.205 438 P CA -0.219 62.917 63.100 0.060 0.000 0.765 438 P CB 1.177 32.908 31.700 0.052 0.000 0.828 439 L N 4.051 125.323 121.223 0.082 0.000 2.005 439 L HA -0.052 4.290 4.340 0.004 0.000 0.207 439 L C 1.219 178.135 176.870 0.078 0.000 1.072 439 L CA 1.716 56.613 54.840 0.094 0.000 0.744 439 L CB -0.286 41.839 42.059 0.110 0.000 0.895 439 L HN 0.500 nan 8.230 nan 0.000 0.433 440 R N -0.129 120.416 120.500 0.075 0.000 2.673 440 R HA 0.673 5.015 4.340 0.004 0.000 0.281 440 R C -1.354 174.994 176.300 0.081 0.000 0.991 440 R CA -0.758 55.387 56.100 0.074 0.000 0.896 440 R CB 1.891 32.235 30.300 0.072 0.000 1.201 440 R HN 0.335 nan 8.270 nan 0.000 0.457 441 R N 0.782 121.338 120.500 0.094 0.000 2.833 441 R HA 0.409 4.752 4.340 0.004 0.000 0.259 441 R C -1.861 174.536 176.300 0.162 0.000 1.047 441 R CA -1.000 55.166 56.100 0.111 0.000 0.916 441 R CB 1.199 31.547 30.300 0.080 0.000 1.259 441 R HN 0.848 nan 8.270 nan 0.000 0.482 442 H N 1.603 120.709 119.070 0.060 0.000 3.085 442 H HA 0.376 4.934 4.556 0.004 0.000 0.356 442 H C -1.601 173.767 175.328 0.066 0.000 1.178 442 H CA -0.476 55.605 56.048 0.054 0.000 1.214 442 H CB 2.124 31.912 29.762 0.044 0.000 1.881 442 H HN 0.749 nan 8.280 nan 0.000 0.538 443 H N 1.701 120.297 119.070 -0.789 0.000 2.864 443 H HA 0.633 5.191 4.556 0.004 0.000 0.354 443 H C -1.014 173.906 175.328 -0.680 0.000 1.208 443 H CA -0.167 55.499 56.048 -0.637 0.000 1.191 443 H CB 2.619 32.032 29.762 -0.580 0.000 1.889 443 H HN 0.700 nan 8.280 nan 0.000 0.574 444 S N -0.073 115.442 115.700 -0.308 0.000 2.843 444 S HA 0.220 4.693 4.470 0.004 0.000 0.301 444 S C -0.841 173.776 174.600 0.028 0.000 1.206 444 S CA -0.781 57.407 58.200 -0.021 0.000 0.875 444 S CB 1.194 64.468 63.200 0.123 0.000 1.248 444 S HN 0.642 nan 8.310 nan 0.000 0.555 445 D N 0.139 120.569 120.400 0.049 0.000 2.360 445 D HA 0.395 5.038 4.640 0.004 0.000 0.289 445 D C -0.559 175.881 176.300 0.234 0.000 1.183 445 D CA -0.042 53.929 54.000 -0.048 0.000 1.082 445 D CB -0.022 40.769 40.800 -0.015 0.000 1.146 445 D HN 0.352 nan 8.370 nan 0.000 0.545 446 F N 0.083 120.111 119.950 0.130 0.000 2.421 446 F HA 0.182 4.711 4.527 0.004 0.000 0.337 446 F C 0.335 176.218 175.800 0.138 0.000 1.105 446 F CA -1.034 57.058 58.000 0.153 0.000 1.049 446 F CB 1.073 40.141 39.000 0.113 0.000 1.139 446 F HN -0.136 nan 8.300 nan 0.000 0.479 447 L N 2.538 123.959 121.223 0.331 0.000 3.610 447 L HA -0.204 4.139 4.340 0.004 0.000 0.425 447 L C -0.656 176.346 176.870 0.219 0.000 1.254 447 L CA 0.393 55.325 54.840 0.152 0.000 0.874 447 L CB -2.697 39.401 42.059 0.065 0.000 1.932 447 L HN 0.601 nan 8.230 nan 0.000 0.790 448 S N -0.419 115.474 115.700 0.322 0.000 2.389 448 S HA 0.336 4.808 4.470 0.004 0.000 0.201 448 S C -0.096 174.644 174.600 0.234 0.000 1.422 448 S CA -0.429 58.026 58.200 0.426 0.000 1.216 448 S CB 0.736 64.159 63.200 0.372 0.000 1.130 448 S HN 0.350 nan 8.310 nan 0.000 0.465 449 H N 2.799 121.924 119.070 0.091 0.000 2.726 449 H HA 0.401 4.959 4.556 0.004 0.000 0.244 449 H C -0.511 174.674 175.328 -0.239 0.000 1.669 449 H CA -0.518 55.354 56.048 -0.293 0.000 1.293 449 H CB -0.301 29.364 29.762 -0.161 0.000 1.640 449 H HN 0.685 nan 8.280 nan 0.000 0.553 450 Y N 1.298 121.108 120.300 -0.818 0.000 3.212 450 Y HA 0.186 4.738 4.550 0.004 0.000 0.236 450 Y C -1.772 173.913 175.900 -0.358 0.000 0.985 450 Y CA -1.620 56.194 58.100 -0.476 0.000 1.205 450 Y CB -1.898 36.445 38.460 -0.195 0.000 1.268 450 Y HN 0.039 nan 8.280 nan 0.000 0.679 451 F N 0.335 120.082 119.950 -0.339 0.000 2.421 451 F HA 1.047 5.577 4.527 0.004 0.000 0.337 451 F C 0.528 176.233 175.800 -0.158 0.000 1.105 451 F CA -1.247 56.581 58.000 -0.286 0.000 1.049 451 F CB 1.326 40.039 39.000 -0.479 0.000 1.139 451 F HN 0.348 nan 8.300 nan 0.000 0.479 452 G N 0.188 109.084 108.800 0.161 0.000 2.485 452 G HA2 0.618 4.581 3.960 0.004 0.000 0.182 452 G HA3 0.618 4.581 3.960 0.004 0.000 0.182 452 G C -0.718 174.245 174.900 0.104 0.000 1.172 452 G CA 0.036 45.211 45.100 0.125 0.000 0.996 452 G HN 1.519 nan 8.290 nan 0.000 0.496 453 G N -2.192 106.657 108.800 0.082 0.000 2.336 453 G HA2 0.609 4.572 3.960 0.004 0.000 0.286 453 G HA3 0.609 4.572 3.960 0.004 0.000 0.286 453 G C -1.850 173.090 174.900 0.067 0.000 1.269 453 G CA 0.718 45.864 45.100 0.077 0.000 0.873 453 G HN 1.878 nan 8.290 nan 0.000 0.494 454 V N -0.392 119.563 119.914 0.068 0.000 3.007 454 V HA 0.851 4.973 4.120 0.004 0.000 0.311 454 V C 0.308 176.443 176.094 0.068 0.000 1.120 454 V CA 0.220 62.559 62.300 0.065 0.000 0.980 454 V CB 1.599 33.462 31.823 0.067 0.000 1.033 454 V HN 2.235 nan 8.190 nan 0.000 0.429 455 A N 3.554 126.413 122.820 0.066 0.000 2.313 455 A HA 0.560 4.882 4.320 0.004 0.000 0.261 455 A C -0.083 177.547 177.584 0.076 0.000 1.090 455 A CA -0.232 51.844 52.037 0.066 0.000 0.807 455 A CB 0.484 19.520 19.000 0.060 0.000 1.055 455 A HN 0.939 nan 8.150 nan 0.000 0.492 456 Q N 0.726 120.573 119.800 0.079 0.000 2.421 456 Q HA 0.359 4.702 4.340 0.004 0.000 0.242 456 Q C -0.576 175.461 176.000 0.062 0.000 1.024 456 Q CA -0.119 55.738 55.803 0.090 0.000 0.891 456 Q CB 0.588 29.396 28.738 0.116 0.000 1.222 456 Q HN 0.713 nan 8.270 nan 0.000 0.483 457 T N 2.755 117.345 114.554 0.061 0.000 2.795 457 T HA 0.494 4.846 4.350 0.004 0.000 0.282 457 T C -1.192 173.503 174.700 -0.009 0.000 0.980 457 T CA -0.438 61.683 62.100 0.034 0.000 1.012 457 T CB 1.207 70.113 68.868 0.064 0.000 0.936 457 T HN 0.415 nan 8.240 nan 0.000 0.457 458 V N 5.811 125.662 119.914 -0.104 0.000 2.864 458 V HA 0.701 4.823 4.120 0.004 0.000 0.314 458 V C -0.799 175.154 176.094 -0.236 0.000 1.073 458 V CA -1.051 61.107 62.300 -0.236 0.000 0.956 458 V CB 2.036 33.547 31.823 -0.521 0.000 1.023 458 V HN 0.877 nan 8.190 nan 0.000 0.435 459 L N 6.102 127.196 121.223 -0.216 0.000 2.264 459 L HA 0.631 4.973 4.340 0.004 0.000 0.289 459 L C -0.593 176.090 176.870 -0.312 0.000 1.044 459 L CA 0.327 54.995 54.840 -0.287 0.000 0.807 459 L CB 1.446 43.386 42.059 -0.198 0.000 1.192 459 L HN 0.453 nan 8.230 nan 0.000 0.425 460 V N 5.771 125.337 119.914 -0.580 0.000 2.459 460 V HA 0.403 4.525 4.120 0.004 0.000 0.295 460 V C -0.650 175.247 176.094 -0.329 0.000 1.029 460 V CA -0.554 61.403 62.300 -0.573 0.000 0.874 460 V CB 1.328 32.518 31.823 -1.055 0.000 0.985 460 V HN 0.611 nan 8.190 nan 0.000 0.438 461 F N 5.904 125.730 119.950 -0.207 0.000 2.427 461 F HA 0.733 5.263 4.527 0.005 0.000 0.348 461 F C -0.246 175.541 175.800 -0.021 0.000 1.125 461 F CA -0.690 57.266 58.000 -0.072 0.000 0.989 461 F CB 0.874 39.919 39.000 0.074 0.000 1.165 461 F HN 0.435 nan 8.300 nan 0.000 0.442 462 R N 3.503 123.745 120.500 -0.429 0.000 2.795 462 R HA 0.786 5.128 4.340 0.004 0.000 0.275 462 R C -1.419 174.675 176.300 -0.343 0.000 0.981 462 R CA -0.525 55.373 56.100 -0.336 0.000 0.917 462 R CB 2.190 32.468 30.300 -0.036 0.000 1.202 462 R HN 0.861 nan 8.270 nan 0.000 0.469 463 S N 0.203 115.785 115.700 -0.197 0.000 2.588 463 S HA 0.562 5.035 4.470 0.004 0.000 0.269 463 S C -1.521 173.075 174.600 -0.007 0.000 1.157 463 S CA -0.784 57.343 58.200 -0.123 0.000 0.824 463 S CB 2.032 65.125 63.200 -0.178 0.000 1.126 463 S HN 0.231 nan 8.310 nan 0.000 0.464 464 V N 1.626 121.521 119.914 -0.032 0.000 2.577 464 V HA 0.650 4.772 4.120 0.004 0.000 0.303 464 V C -0.375 175.726 176.094 0.012 0.000 1.042 464 V CA -0.547 61.721 62.300 -0.053 0.000 0.872 464 V CB 1.938 33.700 31.823 -0.102 0.000 0.998 464 V HN 0.978 nan 8.190 nan 0.000 0.423 465 S N 2.435 118.188 115.700 0.089 0.000 2.489 465 S HA 0.561 5.033 4.470 0.004 0.000 0.291 465 S C 0.047 174.682 174.600 0.058 0.000 1.151 465 S CA -0.408 57.904 58.200 0.186 0.000 1.082 465 S CB 1.412 64.907 63.200 0.491 0.000 1.019 465 S HN 0.774 nan 8.310 nan 0.000 0.492 466 T N 4.893 119.476 114.554 0.049 0.000 2.963 466 T HA 0.305 4.658 4.350 0.004 0.000 0.343 466 T C -0.332 174.382 174.700 0.023 0.000 1.146 466 T CA -0.525 61.556 62.100 -0.031 0.000 1.016 466 T CB 0.128 68.964 68.868 -0.053 0.000 1.046 466 T HN 0.399 nan 8.240 nan 0.000 0.496 467 M N 5.324 124.865 119.600 -0.097 0.000 2.206 467 M HA 0.302 4.784 4.480 0.004 0.000 0.353 467 M C 0.524 176.645 176.300 -0.299 0.000 1.242 467 M CA -0.391 54.753 55.300 -0.260 0.000 1.179 467 M CB -0.163 32.287 32.600 -0.250 0.000 1.374 467 M HN 0.616 nan 8.290 nan 0.000 0.427 468 L N 2.525 123.621 121.223 -0.211 0.000 4.698 468 L HA -0.373 3.969 4.340 0.004 0.000 0.053 468 L C 0.445 177.298 176.870 -0.028 0.000 3.624 468 L CA 2.478 57.242 54.840 -0.128 0.000 1.214 468 L CB -0.886 40.986 42.059 -0.311 0.000 3.190 468 L HN 0.962 nan 8.230 nan 0.000 0.946 472 Y N 0.961 121.053 120.300 -0.346 0.000 2.369 472 Y HA 0.455 5.007 4.550 0.004 0.000 0.337 472 Y C 0.220 175.597 175.900 -0.872 0.000 0.961 472 Y CA -1.238 56.467 58.100 -0.660 0.000 1.186 472 Y CB 1.618 39.547 38.460 -0.886 0.000 1.139 472 Y HN 0.248 nan 8.280 nan 0.000 0.494 473 V N 4.543 124.161 119.914 -0.492 0.000 2.383 473 V HA 0.365 4.487 4.120 0.004 0.000 0.275 473 V C -1.171 174.677 176.094 -0.411 0.000 1.036 473 V CA -0.847 61.219 62.300 -0.389 0.000 0.889 473 V CB 0.107 31.834 31.823 -0.159 0.000 0.985 473 V HN 0.717 nan 8.190 nan 0.000 0.459 474 W N 4.888 126.177 121.300 -0.019 0.000 2.316 474 W HA 0.618 5.280 4.660 0.005 0.000 0.308 474 W C -0.336 176.106 176.519 -0.128 0.000 1.106 474 W CA -0.521 56.790 57.345 -0.057 0.000 1.262 474 W CB 0.910 30.327 29.460 -0.071 0.000 1.233 474 W HN 0.503 nan 8.180 nan 0.000 0.447 475 D N 3.194 123.633 120.400 0.065 0.000 2.350 475 D HA 0.512 5.154 4.640 0.004 0.000 0.245 475 D C -0.396 175.775 176.300 -0.215 0.000 1.036 475 D CA -0.540 53.410 54.000 -0.083 0.000 0.848 475 D CB 1.633 42.389 40.800 -0.074 0.000 1.307 475 D HN 0.206 nan 8.370 nan 0.000 0.469 476 M N 1.909 121.362 119.600 -0.244 0.000 2.106 476 M HA 0.308 4.790 4.480 0.004 0.000 0.288 476 M C -0.961 175.012 176.300 -0.545 0.000 0.941 476 M CA -1.117 53.909 55.300 -0.456 0.000 0.934 476 M CB 2.124 34.555 32.600 -0.282 0.000 1.551 476 M HN 0.190 nan 8.290 nan 0.000 0.437 477 V N 0.689 120.168 119.914 -0.726 0.000 2.495 477 V HA 0.716 4.838 4.120 0.004 0.000 0.298 477 V C -1.398 174.227 176.094 -0.782 0.000 1.031 477 V CA -0.490 61.454 62.300 -0.593 0.000 0.871 477 V CB 1.473 33.042 31.823 -0.424 0.000 0.988 477 V HN 0.625 nan 8.190 nan 0.000 0.432 478 F N 4.952 124.585 119.950 -0.530 0.000 2.411 478 F HA 0.690 5.219 4.527 0.004 0.000 0.352 478 F C -0.119 175.567 175.800 -0.190 0.000 1.123 478 F CA -0.700 56.916 58.000 -0.640 0.000 1.044 478 F CB 1.048 39.152 39.000 -1.493 0.000 1.135 478 F HN 0.504 nan 8.300 nan 0.000 0.461 479 Y N 3.946 124.398 120.300 0.255 0.000 2.316 479 Y HA 0.263 4.816 4.550 0.003 0.000 0.324 479 Y C -1.229 175.046 175.900 0.625 0.000 1.267 479 Y CA -2.175 56.140 58.100 0.358 0.000 1.311 479 Y CB 0.487 39.089 38.460 0.237 0.000 1.267 479 Y HN 0.360 nan 8.280 nan 0.000 0.516 480 P HA -0.112 nan 4.420 nan 0.000 0.237 480 P C 0.189 177.742 177.300 0.421 0.000 1.178 480 P CA 1.250 64.641 63.100 0.485 0.000 0.766 480 P CB 0.293 32.174 31.700 0.302 0.000 0.876 481 N N -0.633 118.260 118.700 0.322 0.000 2.230 481 N HA 0.073 4.815 4.740 0.004 0.000 0.202 481 N C 1.248 176.673 175.510 -0.141 0.000 1.119 481 N CA 0.564 53.688 53.050 0.123 0.000 0.851 481 N CB -0.389 38.159 38.487 0.101 0.000 0.990 481 N HN 0.165 nan 8.380 nan 0.000 0.497 482 G N -0.874 107.701 108.800 -0.375 0.000 2.176 482 G HA2 -0.141 3.822 3.960 0.004 0.000 0.232 482 G HA3 -0.141 3.822 3.960 0.004 0.000 0.232 482 G C 0.165 175.159 174.900 0.156 0.000 0.986 482 G CA 0.061 44.633 45.100 -0.880 0.000 0.643 482 G HN 0.775 nan 8.290 nan 0.000 0.522 483 A N -0.117 122.872 122.820 0.282 0.000 2.302 483 A HA 0.842 5.164 4.320 0.004 0.000 0.285 483 A C 0.105 177.861 177.584 0.287 0.000 1.105 483 A CA -0.119 52.061 52.037 0.239 0.000 0.816 483 A CB 0.598 19.585 19.000 -0.021 0.000 1.067 483 A HN 0.807 nan 8.150 nan 0.000 0.489 484 I N 0.476 121.096 120.570 0.084 0.000 2.545 484 I HA 0.388 4.561 4.170 0.004 0.000 0.292 484 I C -0.199 175.684 176.117 -0.390 0.000 1.040 484 I CA -0.292 60.862 61.300 -0.243 0.000 1.068 484 I CB 2.144 39.885 38.000 -0.433 0.000 1.251 484 I HN 0.811 nan 8.210 nan 0.000 0.424 485 E N 5.336 125.186 120.200 -0.582 0.000 2.199 485 E HA 0.603 4.955 4.350 0.004 0.000 0.265 485 E C -1.845 174.189 176.600 -0.943 0.000 0.882 485 E CA -0.597 55.220 56.400 -0.971 0.000 0.759 485 E CB 2.268 31.471 29.700 -0.829 0.000 1.148 485 E HN 0.361 nan 8.360 nan 0.000 0.412 486 V N 5.325 124.512 119.914 -1.212 0.000 2.444 486 V HA 0.483 4.605 4.120 0.004 0.000 0.294 486 V C -0.366 175.139 176.094 -0.981 0.000 1.022 486 V CA -0.777 60.819 62.300 -1.174 0.000 0.850 486 V CB 1.563 32.367 31.823 -1.698 0.000 0.992 486 V HN 0.581 nan 8.190 nan 0.000 0.426 487 K N 3.638 123.687 120.400 -0.585 0.000 2.482 487 K HA 0.697 5.019 4.320 0.004 0.000 0.257 487 K C -1.462 175.002 176.600 -0.227 0.000 0.969 487 K CA -0.875 55.156 56.287 -0.427 0.000 0.842 487 K CB 3.029 35.252 32.500 -0.462 0.000 1.359 487 K HN 0.520 nan 8.250 nan 0.000 0.441 488 L N 1.523 122.605 121.223 -0.234 0.000 2.356 488 L HA 0.491 4.833 4.340 0.004 0.000 0.277 488 L C -1.252 175.398 176.870 -0.367 0.000 0.996 488 L CA -0.033 54.715 54.840 -0.153 0.000 0.822 488 L CB 1.270 43.398 42.059 0.116 0.000 1.256 488 L HN 0.485 nan 8.230 nan 0.000 0.413 489 H N 4.416 123.407 119.070 -0.131 0.000 2.589 489 H HA 0.710 5.268 4.556 0.004 0.000 0.335 489 H C -0.777 174.473 175.328 -0.130 0.000 1.019 489 H CA -0.431 55.545 56.048 -0.119 0.000 1.213 489 H CB 1.963 31.640 29.762 -0.141 0.000 1.472 489 H HN 0.906 nan 8.280 nan 0.000 0.508 490 A N 2.900 125.735 122.820 0.026 0.000 2.301 490 A HA 0.579 4.901 4.320 0.004 0.000 0.312 490 A C 0.386 177.893 177.584 -0.127 0.000 1.182 490 A CA -0.340 51.655 52.037 -0.069 0.000 0.826 490 A CB 1.228 20.204 19.000 -0.040 0.000 1.134 490 A HN 0.666 nan 8.150 nan 0.000 0.501 491 T N 0.189 114.623 114.554 -0.200 0.000 2.671 491 T HA 0.773 5.125 4.350 0.004 0.000 0.300 491 T C 0.256 174.832 174.700 -0.207 0.000 1.238 491 T CA 1.030 63.033 62.100 -0.162 0.000 1.020 491 T CB 0.921 69.697 68.868 -0.154 0.000 1.503 491 T HN 2.642 nan 8.240 nan 0.000 0.497 492 G N 0.078 108.762 108.800 -0.194 0.000 2.460 492 G HA2 0.006 3.969 3.960 0.004 0.000 0.207 492 G HA3 0.006 3.969 3.960 0.004 0.000 0.207 492 G C -1.514 173.318 174.900 -0.112 0.000 1.170 492 G CA -0.183 44.717 45.100 -0.333 0.000 1.151 492 G HN 0.914 nan 8.290 nan 0.000 0.575 493 Y N 0.414 120.705 120.300 -0.015 0.000 2.499 493 Y HA 0.650 5.203 4.550 0.004 0.000 0.347 493 Y C 1.009 176.942 175.900 0.056 0.000 0.987 493 Y CA -1.102 57.010 58.100 0.020 0.000 1.044 493 Y CB 1.891 40.361 38.460 0.016 0.000 1.245 493 Y HN 0.742 nan 8.280 nan 0.000 0.461 494 I N 0.119 120.839 120.570 0.250 0.000 2.612 494 I HA 0.531 4.703 4.170 0.004 0.000 0.295 494 I C -0.084 176.113 176.117 0.133 0.000 1.011 494 I CA -0.548 60.864 61.300 0.187 0.000 1.326 494 I CB 1.576 39.677 38.000 0.168 0.000 1.427 494 I HN 0.562 nan 8.210 nan 0.000 0.537 495 S N 3.879 119.621 115.700 0.071 0.000 2.513 495 S HA 0.471 4.944 4.470 0.004 0.000 0.276 495 S C -0.065 174.566 174.600 0.052 0.000 1.254 495 S CA -0.666 57.538 58.200 0.006 0.000 1.053 495 S CB 1.139 64.227 63.200 -0.187 0.000 0.958 495 S HN 0.722 nan 8.310 nan 0.000 0.491 496 S N 1.478 117.258 115.700 0.134 0.000 2.722 496 S HA 0.898 5.370 4.470 0.004 0.000 0.292 496 S C -0.144 174.573 174.600 0.194 0.000 1.135 496 S CA -0.622 57.669 58.200 0.151 0.000 1.003 496 S CB 1.396 64.683 63.200 0.145 0.000 1.067 496 S HN 1.218 nan 8.310 nan 0.000 0.546 497 A N 0.891 123.788 122.820 0.128 0.000 2.435 497 A HA 0.713 5.035 4.320 0.004 0.000 0.304 497 A C -0.945 176.724 177.584 0.142 0.000 1.064 497 A CA -0.706 51.402 52.037 0.117 0.000 0.727 497 A CB 0.583 19.618 19.000 0.059 0.000 1.284 497 A HN 0.690 nan 8.150 nan 0.000 0.415 498 F N 1.797 121.771 119.950 0.040 0.000 2.578 498 F HA 0.401 4.931 4.527 0.004 0.000 0.376 498 F C -0.034 175.868 175.800 0.171 0.000 1.085 498 F CA -0.195 57.844 58.000 0.065 0.000 1.260 498 F CB 0.429 39.424 39.000 -0.007 0.000 1.095 498 F HN 0.504 nan 8.300 nan 0.000 0.573 499 L N 9.060 129.902 121.223 -0.636 0.000 2.290 499 L HA 0.514 4.856 4.340 0.004 0.000 0.284 499 L C -1.051 175.543 176.870 -0.461 0.000 1.078 499 L CA -0.197 54.398 54.840 -0.407 0.000 0.815 499 L CB 0.352 42.248 42.059 -0.271 0.000 1.162 499 L HN 0.640 nan 8.230 nan 0.000 0.435 500 F N 3.592 123.389 119.950 -0.255 0.000 2.770 500 F HA 0.771 5.300 4.527 0.004 0.000 0.313 500 F C 0.306 176.111 175.800 0.009 0.000 1.154 500 F CA -0.270 57.672 58.000 -0.095 0.000 0.923 500 F CB 0.116 39.154 39.000 0.063 0.000 1.301 500 F HN 0.890 nan 8.300 nan 0.000 0.449 501 G N 1.001 109.718 108.800 -0.138 0.000 2.602 501 G HA2 0.036 3.998 3.960 0.004 0.000 0.306 501 G HA3 0.036 3.998 3.960 0.004 0.000 0.306 501 G C 0.532 175.277 174.900 -0.258 0.000 1.301 501 G CA 0.851 45.804 45.100 -0.245 0.000 0.974 501 G HN 2.168 nan 8.290 nan 0.000 0.547 502 A N 0.387 123.069 122.820 -0.230 0.000 2.728 502 A HA 0.675 4.997 4.320 0.004 0.000 0.258 502 A C 2.135 179.663 177.584 -0.093 0.000 1.454 502 A CA 1.158 53.121 52.037 -0.123 0.000 1.146 502 A CB -0.964 18.003 19.000 -0.056 0.000 0.985 502 A HN 2.154 nan 8.150 nan 0.000 0.603 503 A N 1.031 123.752 122.820 -0.164 0.000 1.908 503 A HA -0.196 4.126 4.320 0.004 0.000 0.218 503 A C 2.124 179.707 177.584 -0.002 0.000 1.181 503 A CA 1.441 53.443 52.037 -0.059 0.000 0.627 503 A CB -0.403 18.513 19.000 -0.140 0.000 0.818 503 A HN 0.643 nan 8.150 nan 0.000 0.445 504 R N -1.039 119.415 120.500 -0.076 0.000 2.355 504 R HA -0.099 4.244 4.340 0.004 0.000 0.219 504 R C 2.095 178.297 176.300 -0.163 0.000 1.107 504 R CA 1.179 57.226 56.100 -0.088 0.000 1.021 504 R CB -0.273 29.979 30.300 -0.081 0.000 0.852 504 R HN 0.543 nan 8.270 nan 0.000 0.475 505 R N 0.000 120.323 120.500 -0.296 0.000 2.236 505 R HA -0.090 4.252 4.340 0.004 0.000 0.208 505 R C 0.330 176.167 176.300 -0.772 0.000 1.036 505 R CA 1.070 56.827 56.100 -0.571 0.000 1.001 505 R CB 0.273 30.100 30.300 -0.788 0.000 0.896 505 R HN 0.212 nan 8.270 nan 0.000 0.464 506 Y N -1.481 118.782 120.300 -0.062 0.000 2.696 506 Y HA 0.503 5.055 4.550 0.004 0.000 0.260 506 Y C 0.616 176.499 175.900 -0.029 0.000 1.165 506 Y CA 0.011 58.084 58.100 -0.045 0.000 1.189 506 Y CB 1.369 39.799 38.460 -0.050 0.000 1.180 506 Y HN 0.168 nan 8.280 nan 0.000 0.538 507 G N -0.131 108.693 108.800 0.039 0.000 2.350 507 G HA2 0.030 3.993 3.960 0.004 0.000 0.276 507 G HA3 0.030 3.993 3.960 0.004 0.000 0.276 507 G C -1.841 173.066 174.900 0.011 0.000 1.313 507 G CA -1.110 44.011 45.100 0.036 0.000 0.903 507 G HN -0.048 nan 8.290 nan 0.000 0.490 508 N N 0.309 119.021 118.700 0.019 0.000 2.272 508 N HA 0.439 5.182 4.740 0.004 0.000 0.305 508 N C -0.623 174.890 175.510 0.006 0.000 1.103 508 N CA -0.588 52.469 53.050 0.013 0.000 0.791 508 N CB 2.226 40.735 38.487 0.037 0.000 1.356 508 N HN 0.726 nan 8.380 nan 0.000 0.486 509 Q N 0.839 120.633 119.800 -0.010 0.000 2.313 509 Q HA 0.232 4.574 4.340 0.004 0.000 0.266 509 Q C 0.427 176.422 176.000 -0.009 0.000 0.989 509 Q CA -0.142 55.647 55.803 -0.022 0.000 0.890 509 Q CB 0.621 29.334 28.738 -0.041 0.000 1.200 509 Q HN 0.583 nan 8.270 nan 0.000 0.396 510 V N 0.424 120.332 119.914 -0.009 0.000 3.330 510 V HA 0.657 4.779 4.120 0.004 0.000 0.309 510 V C 0.225 176.312 176.094 -0.011 0.000 1.481 510 V CA 0.430 62.728 62.300 -0.003 0.000 1.068 510 V CB 0.349 32.172 31.823 0.001 0.000 0.935 510 V HN 0.719 nan 8.190 nan 0.000 0.453 511 G N 0.308 109.095 108.800 -0.021 0.000 2.428 511 G HA2 0.523 4.486 3.960 0.004 0.000 0.304 511 G HA3 0.523 4.486 3.960 0.004 0.000 0.304 511 G C -1.915 172.953 174.900 -0.052 0.000 1.303 511 G CA -0.739 44.349 45.100 -0.020 0.000 0.825 511 G HN 0.264 nan 8.290 nan 0.000 0.484 512 E N 0.876 121.046 120.200 -0.049 0.000 2.316 512 E HA 0.447 4.799 4.350 0.004 0.000 0.275 512 E C 0.150 176.678 176.600 -0.121 0.000 1.029 512 E CA -0.416 55.883 56.400 -0.169 0.000 0.871 512 E CB 0.306 29.930 29.700 -0.126 0.000 1.022 512 E HN 0.569 nan 8.360 nan 0.000 0.418 513 H N -0.195 118.855 119.070 -0.034 0.000 3.100 513 H HA -0.170 4.388 4.556 0.004 0.000 0.271 513 H C -0.552 174.682 175.328 -0.157 0.000 1.116 513 H CA 1.476 57.442 56.048 -0.136 0.000 1.177 513 H CB -1.930 27.850 29.762 0.031 0.000 1.294 513 H HN 0.442 nan 8.280 nan 0.000 0.334 514 T N 1.151 115.694 114.554 -0.019 0.000 2.812 514 T HA 0.551 4.903 4.350 0.004 0.000 0.282 514 T C 0.308 174.995 174.700 -0.021 0.000 0.990 514 T CA -0.708 61.395 62.100 0.004 0.000 0.960 514 T CB 2.393 71.283 68.868 0.037 0.000 0.948 514 T HN 0.144 nan 8.240 nan 0.000 0.438 515 L N 2.615 123.835 121.223 -0.005 0.000 2.334 515 L HA 0.824 5.166 4.340 0.004 0.000 0.276 515 L C 0.274 177.165 176.870 0.034 0.000 1.014 515 L CA -0.129 54.712 54.840 0.003 0.000 0.815 515 L CB 1.383 43.442 42.059 -0.001 0.000 1.268 515 L HN 0.750 nan 8.230 nan 0.000 0.428 516 G N 4.675 113.495 108.800 0.033 0.000 2.504 516 G HA2 0.498 4.460 3.960 0.004 0.000 0.326 516 G HA3 0.498 4.460 3.960 0.004 0.000 0.326 516 G C -2.754 172.185 174.900 0.065 0.000 1.073 516 G CA -1.085 44.042 45.100 0.044 0.000 1.030 516 G HN 0.497 nan 8.290 nan 0.000 0.448 517 P HA 0.151 nan 4.420 nan 0.000 0.275 517 P C 0.585 178.008 177.300 0.205 0.000 1.227 517 P CA -0.185 63.014 63.100 0.164 0.000 0.781 517 P CB 1.579 33.394 31.700 0.191 0.000 0.906 518 V N 3.441 123.430 119.914 0.125 0.000 2.901 518 V HA 0.198 4.320 4.120 0.004 0.000 0.307 518 V C 0.749 176.826 176.094 -0.029 0.000 1.084 518 V CA 0.495 62.807 62.300 0.019 0.000 1.184 518 V CB -0.834 30.992 31.823 0.005 0.000 0.941 518 V HN 0.894 nan 8.190 nan 0.000 0.493 519 H N 0.650 119.512 119.070 -0.347 0.000 3.024 519 H HA 0.540 5.098 4.556 0.004 0.000 0.324 519 H C -0.797 174.272 175.328 -0.432 0.000 1.347 519 H CA -0.329 55.356 56.048 -0.605 0.000 1.182 519 H CB 1.320 30.276 29.762 -1.343 0.000 1.889 519 H HN 0.745 nan 8.280 nan 0.000 0.528 520 T N -0.612 113.710 114.554 -0.387 0.000 2.940 520 T HA 0.429 4.781 4.350 0.004 0.000 0.288 520 T C -0.544 173.881 174.700 -0.459 0.000 1.033 520 T CA -0.770 61.115 62.100 -0.358 0.000 1.033 520 T CB 2.016 70.755 68.868 -0.215 0.000 1.079 520 T HN 0.654 nan 8.240 nan 0.000 0.496 521 H N 0.609 119.444 119.070 -0.392 0.000 2.547 521 H HA 0.644 5.202 4.556 0.004 0.000 0.342 521 H C -0.691 174.532 175.328 -0.175 0.000 1.048 521 H CA -0.561 55.303 56.048 -0.307 0.000 1.204 521 H CB 2.074 31.460 29.762 -0.627 0.000 1.493 521 H HN 0.648 nan 8.280 nan 0.000 0.511 522 S N 1.091 116.867 115.700 0.126 0.000 2.570 522 S HA 0.829 5.301 4.470 0.004 0.000 0.286 522 S C -0.778 174.023 174.600 0.335 0.000 1.099 522 S CA -0.654 57.697 58.200 0.252 0.000 0.913 522 S CB 2.439 65.786 63.200 0.246 0.000 1.085 522 S HN 0.803 nan 8.310 nan 0.000 0.480 523 A N 1.649 124.688 122.820 0.365 0.000 2.539 523 A HA 0.753 5.075 4.320 0.004 0.000 0.296 523 A C -1.546 176.061 177.584 0.038 0.000 1.073 523 A CA -0.515 51.592 52.037 0.116 0.000 0.700 523 A CB 1.339 20.442 19.000 0.171 0.000 1.296 523 A HN 0.862 nan 8.150 nan 0.000 0.405 524 H N 0.509 119.196 119.070 -0.638 0.000 2.600 524 H HA 0.620 5.179 4.556 0.004 0.000 0.357 524 H C -1.874 173.101 175.328 -0.588 0.000 1.106 524 H CA -0.227 55.450 56.048 -0.618 0.000 1.193 524 H CB 1.402 30.344 29.762 -1.367 0.000 1.594 524 H HN 0.643 nan 8.280 nan 0.000 0.526 525 Y N 2.064 122.097 120.300 -0.444 0.000 2.485 525 Y HA 0.235 4.787 4.550 0.003 0.000 0.345 525 Y C -0.050 175.614 175.900 -0.393 0.000 0.998 525 Y CA -0.853 57.068 58.100 -0.299 0.000 1.059 525 Y CB 1.848 40.282 38.460 -0.043 0.000 1.234 525 Y HN 0.390 nan 8.280 nan 0.000 0.461 526 K N 2.304 122.597 120.400 -0.178 0.000 2.240 526 K HA 0.638 4.961 4.320 0.004 0.000 0.271 526 K C -1.711 174.654 176.600 -0.393 0.000 1.018 526 K CA -0.465 55.548 56.287 -0.455 0.000 0.874 526 K CB 0.773 33.019 32.500 -0.424 0.000 1.098 526 K HN 0.544 nan 8.250 nan 0.000 0.458 527 V N 4.195 123.817 119.914 -0.488 0.000 2.289 527 V HA 0.071 4.193 4.120 0.004 0.000 0.272 527 V C -0.520 175.391 176.094 -0.305 0.000 1.026 527 V CA -0.862 61.234 62.300 -0.339 0.000 0.807 527 V CB 0.964 32.566 31.823 -0.368 0.000 1.044 527 V HN 0.734 nan 8.190 nan 0.000 0.443 528 D N 4.689 124.949 120.400 -0.234 0.000 2.619 528 D HA 0.251 4.894 4.640 0.004 0.000 0.224 528 D C 0.143 176.414 176.300 -0.048 0.000 1.133 528 D CA -0.027 53.893 54.000 -0.133 0.000 1.017 528 D CB 0.195 40.972 40.800 -0.037 0.000 1.077 528 D HN 0.423 nan 8.370 nan 0.000 0.503 529 L N 1.916 123.103 121.223 -0.060 0.000 2.416 529 L HA 0.158 4.500 4.340 0.004 0.000 0.272 529 L C 0.318 177.208 176.870 0.033 0.000 1.161 529 L CA 0.180 55.006 54.840 -0.024 0.000 0.845 529 L CB 0.675 42.729 42.059 -0.009 0.000 1.119 529 L HN 0.101 nan 8.230 nan 0.000 0.464 530 D N 2.565 123.001 120.400 0.060 0.000 2.456 530 D HA 0.181 4.824 4.640 0.004 0.000 0.287 530 D C -0.540 175.847 176.300 0.144 0.000 1.186 530 D CA -0.201 53.860 54.000 0.101 0.000 0.916 530 D CB 1.209 42.080 40.800 0.118 0.000 1.029 530 D HN 0.019 nan 8.370 nan 0.000 0.498 531 V N 1.047 121.073 119.914 0.186 0.000 2.409 531 V HA 0.307 4.429 4.120 0.004 0.000 0.270 531 V C 1.660 177.949 176.094 0.325 0.000 1.019 531 V CA 0.337 62.822 62.300 0.307 0.000 1.066 531 V CB 0.427 32.477 31.823 0.377 0.000 1.021 531 V HN 0.771 nan 8.190 nan 0.000 0.476 532 G N 3.451 112.461 108.800 0.349 0.000 2.203 532 G HA2 0.129 4.091 3.960 0.004 0.000 0.263 532 G HA3 0.129 4.091 3.960 0.004 0.000 0.263 532 G C 0.735 175.730 174.900 0.158 0.000 1.012 532 G CA 0.242 45.461 45.100 0.197 0.000 0.749 532 G HN 2.174 nan 8.290 nan 0.000 0.512 533 G N -2.574 106.324 108.800 0.165 0.000 2.331 533 G HA2 0.253 4.215 3.960 0.004 0.000 0.402 533 G HA3 0.253 4.215 3.960 0.004 0.000 0.402 533 G C 0.313 175.282 174.900 0.115 0.000 1.275 533 G CA 0.009 45.185 45.100 0.126 0.000 1.003 533 G HN 1.022 nan 8.290 nan 0.000 0.500 534 L N 0.658 121.927 121.223 0.076 0.000 2.005 534 L HA 0.230 4.572 4.340 0.004 0.000 0.207 534 L C 1.755 178.636 176.870 0.018 0.000 1.072 534 L CA 1.788 56.650 54.840 0.037 0.000 0.744 534 L CB -0.545 41.516 42.059 0.004 0.000 0.895 534 L HN 0.667 nan 8.230 nan 0.000 0.433 535 E N 0.939 121.151 120.200 0.020 0.000 2.383 535 E HA 0.018 4.370 4.350 0.004 0.000 0.257 535 E C -0.501 176.095 176.600 -0.007 0.000 1.079 535 E CA 0.193 56.556 56.400 -0.061 0.000 0.934 535 E CB -0.089 29.597 29.700 -0.024 0.000 0.978 535 E HN 0.418 nan 8.360 nan 0.000 0.462 536 N N 2.396 121.013 118.700 -0.137 0.000 2.380 536 N HA 0.442 5.184 4.740 0.004 0.000 0.290 536 N C -1.088 174.347 175.510 -0.124 0.000 1.236 536 N CA -0.839 52.249 53.050 0.064 0.000 0.780 536 N CB 1.689 40.248 38.487 0.120 0.000 1.438 536 N HN 0.280 nan 8.380 nan 0.000 0.491 537 W N 0.784 122.131 121.300 0.079 0.000 2.864 537 W HA 0.504 5.166 4.660 0.002 0.000 0.343 537 W C -1.061 175.438 176.519 -0.033 0.000 1.109 537 W CA -0.531 56.803 57.345 -0.018 0.000 1.192 537 W CB 1.735 31.168 29.460 -0.044 0.000 1.426 537 W HN 0.067 nan 8.180 nan 0.000 0.529 538 V N 1.773 121.718 119.914 0.051 0.000 2.398 538 V HA 0.299 4.421 4.120 0.004 0.000 0.286 538 V C -1.022 174.946 176.094 -0.210 0.000 1.026 538 V CA -0.364 61.929 62.300 -0.012 0.000 0.868 538 V CB 1.027 32.865 31.823 0.024 0.000 0.982 538 V HN 0.405 nan 8.190 nan 0.000 0.443 539 W N 2.784 123.911 121.300 -0.288 0.000 2.573 539 W HA 0.742 5.403 4.660 0.003 0.000 0.326 539 W C -0.036 176.334 176.519 -0.248 0.000 1.049 539 W CA -0.539 56.575 57.345 -0.385 0.000 1.220 539 W CB 1.944 30.879 29.460 -0.874 0.000 1.373 539 W HN 0.599 nan 8.180 nan 0.000 0.507 540 A N 3.309 126.248 122.820 0.198 0.000 2.267 540 A HA 0.639 4.962 4.320 0.004 0.000 0.315 540 A C -0.622 177.106 177.584 0.240 0.000 1.297 540 A CA -0.586 51.562 52.037 0.185 0.000 0.865 540 A CB 0.467 19.567 19.000 0.166 0.000 1.165 540 A HN 0.659 nan 8.150 nan 0.000 0.513 541 E N 1.770 122.119 120.200 0.247 0.000 2.256 541 E HA 0.575 4.928 4.350 0.004 0.000 0.267 541 E C -1.240 175.440 176.600 0.134 0.000 0.892 541 E CA -0.778 55.742 56.400 0.201 0.000 0.775 541 E CB 2.385 32.214 29.700 0.214 0.000 1.207 541 E HN 0.691 nan 8.360 nan 0.000 0.420 542 D N 0.613 121.050 120.400 0.061 0.000 3.103 542 D HA 0.356 4.998 4.640 0.004 0.000 0.337 542 D C -1.285 174.995 176.300 -0.033 0.000 1.356 542 D CA -0.435 53.587 54.000 0.035 0.000 0.951 542 D CB 1.686 42.515 40.800 0.049 0.000 1.438 542 D HN 0.449 nan 8.370 nan 0.000 0.562 543 M N -0.100 119.469 119.600 -0.052 0.000 2.716 543 M HA 0.892 5.374 4.480 0.004 0.000 0.307 543 M C -1.241 174.972 176.300 -0.145 0.000 1.223 543 M CA -0.724 54.494 55.300 -0.137 0.000 0.871 543 M CB 2.638 35.122 32.600 -0.193 0.000 1.739 543 M HN 0.313 nan 8.290 nan 0.000 0.475 544 A N 1.103 123.773 122.820 -0.250 0.000 2.612 544 A HA 0.840 5.162 4.320 0.004 0.000 0.293 544 A C -2.163 175.215 177.584 -0.344 0.000 1.075 544 A CA -0.650 51.278 52.037 -0.182 0.000 0.680 544 A CB 1.402 20.371 19.000 -0.052 0.000 1.279 544 A HN 0.812 nan 8.150 nan 0.000 0.411 545 F N 0.646 120.608 119.950 0.019 0.000 2.467 545 F HA 0.612 5.141 4.527 0.004 0.000 0.336 545 F C -0.151 175.658 175.800 0.014 0.000 1.123 545 F CA -0.539 57.471 58.000 0.016 0.000 0.964 545 F CB 2.498 41.507 39.000 0.015 0.000 1.136 545 F HN 0.319 nan 8.300 nan 0.000 0.447 546 V N 5.037 125.060 119.914 0.181 0.000 2.525 546 V HA 0.396 4.519 4.120 0.004 0.000 0.299 546 V C -2.315 173.836 176.094 0.095 0.000 1.034 546 V CA -1.950 60.414 62.300 0.108 0.000 0.863 546 V CB 2.169 34.029 31.823 0.062 0.000 0.999 546 V HN 0.467 nan 8.190 nan 0.000 0.423 547 P HA 0.303 nan 4.420 nan 0.000 0.276 547 P C -0.504 176.810 177.300 0.023 0.000 1.235 547 P CA 0.235 63.360 63.100 0.043 0.000 0.772 547 P CB 1.184 32.898 31.700 0.025 0.000 0.871 548 T N -0.683 113.877 114.554 0.009 0.000 2.894 548 T HA 0.659 5.011 4.350 0.004 0.000 0.309 548 T C -0.284 174.391 174.700 -0.041 0.000 1.208 548 T CA -0.927 61.167 62.100 -0.010 0.000 1.016 548 T CB 1.257 70.124 68.868 -0.002 0.000 1.192 548 T HN 0.419 nan 8.240 nan 0.000 0.491 549 A N 2.220 125.007 122.820 -0.054 0.000 2.466 549 A HA 0.566 4.889 4.320 0.004 0.000 0.238 549 A C 0.476 177.968 177.584 -0.154 0.000 1.074 549 A CA -0.574 51.409 52.037 -0.090 0.000 0.774 549 A CB -0.450 18.504 19.000 -0.076 0.000 1.015 549 A HN 0.864 nan 8.150 nan 0.000 0.498 550 I N 3.265 123.685 120.570 -0.251 0.000 2.352 550 I HA 0.142 4.314 4.170 0.004 0.000 0.290 550 I C -1.511 174.310 176.117 -0.494 0.000 1.036 550 I CA -1.661 59.321 61.300 -0.531 0.000 1.336 550 I CB 1.464 39.009 38.000 -0.759 0.000 1.407 550 I HN 0.518 nan 8.210 nan 0.000 0.497 551 P HA -0.191 nan 4.420 nan 0.000 0.215 551 P C 1.022 178.321 177.300 -0.001 0.000 1.163 551 P CA 1.708 64.763 63.100 -0.075 0.000 0.894 551 P CB -0.025 31.763 31.700 0.147 0.000 0.791 552 W N -1.875 119.440 121.300 0.025 0.000 3.292 552 W HA 0.457 5.119 4.660 0.004 0.000 0.263 552 W C 0.081 176.621 176.519 0.035 0.000 1.318 552 W CA 0.035 57.394 57.345 0.023 0.000 1.663 552 W CB -0.445 29.023 29.460 0.013 0.000 1.114 552 W HN -0.139 nan 8.180 nan 0.000 0.706 553 S N 0.388 115.934 115.700 -0.257 0.000 2.787 553 S HA 0.204 4.676 4.470 0.004 0.000 0.140 553 S C -1.881 172.658 174.600 -0.101 0.000 1.240 553 S CA -0.683 57.450 58.200 -0.112 0.000 1.163 553 S CB 0.025 63.141 63.200 -0.141 0.000 1.652 553 S HN -0.212 nan 8.310 nan 0.000 0.443 554 P HA -0.140 nan 4.420 nan 0.000 0.218 554 P C 0.733 177.979 177.300 -0.090 0.000 1.146 554 P CA 1.259 64.311 63.100 -0.081 0.000 0.820 554 P CB 0.081 31.751 31.700 -0.049 0.000 0.778 555 E N -2.357 117.783 120.200 -0.100 0.000 2.418 555 E HA -0.079 4.274 4.350 0.004 0.000 0.197 555 E C 0.125 176.468 176.600 -0.428 0.000 1.026 555 E CA 0.775 57.029 56.400 -0.244 0.000 0.862 555 E CB -0.841 28.679 29.700 -0.300 0.000 0.799 555 E HN 0.509 nan 8.360 nan 0.000 0.518 556 H N -0.139 118.865 119.070 -0.109 0.000 2.529 556 H HA 0.401 4.959 4.556 0.004 0.000 0.348 556 H C -0.137 175.112 175.328 -0.132 0.000 1.152 556 H CA -0.720 55.261 56.048 -0.111 0.000 1.202 556 H CB 1.172 30.863 29.762 -0.117 0.000 1.562 556 H HN -0.098 nan 8.280 nan 0.000 0.515 557 Q N 1.269 121.077 119.800 0.013 0.000 2.240 557 Q HA 0.587 4.930 4.340 0.004 0.000 0.260 557 Q C -0.863 175.127 176.000 -0.017 0.000 1.018 557 Q CA -1.074 54.714 55.803 -0.025 0.000 0.898 557 Q CB 2.991 31.715 28.738 -0.023 0.000 1.301 557 Q HN 0.543 nan 8.270 nan 0.000 0.469 558 I N 0.364 120.922 120.570 -0.019 0.000 2.685 558 I HA 0.088 4.260 4.170 0.004 0.000 0.289 558 I C -1.324 174.815 176.117 0.037 0.000 1.292 558 I CA -0.621 60.680 61.300 0.002 0.000 1.050 558 I CB 1.940 39.931 38.000 -0.015 0.000 1.301 558 I HN 0.472 nan 8.210 nan 0.000 0.425 559 Q N 6.922 126.752 119.800 0.049 0.000 2.301 559 Q HA 0.181 4.524 4.340 0.004 0.000 0.262 559 Q C -0.655 175.496 176.000 0.250 0.000 1.168 559 Q CA -0.032 55.839 55.803 0.114 0.000 0.908 559 Q CB 0.349 29.076 28.738 -0.019 0.000 1.348 559 Q HN 0.375 nan 8.270 nan 0.000 0.441 560 R N 2.575 123.199 120.500 0.207 0.000 2.242 560 R HA 0.165 4.508 4.340 0.004 0.000 0.334 560 R C 0.107 176.485 176.300 0.130 0.000 1.071 560 R CA -0.731 55.465 56.100 0.159 0.000 0.922 560 R CB -0.005 30.344 30.300 0.081 0.000 1.023 560 R HN 0.394 nan 8.270 nan 0.000 0.458 561 L N 4.183 125.449 121.223 0.071 0.000 2.416 561 L HA 0.084 4.427 4.340 0.004 0.000 0.272 561 L C 0.157 176.926 176.870 -0.169 0.000 1.161 561 L CA 0.726 55.419 54.840 -0.245 0.000 0.845 561 L CB 0.508 42.458 42.059 -0.182 0.000 1.119 561 L HN 0.665 nan 8.230 nan 0.000 0.464 562 Q N 2.930 122.593 119.800 -0.229 0.000 2.648 562 Q HA 0.637 4.980 4.340 0.004 0.000 0.300 562 Q C -1.761 174.157 176.000 -0.136 0.000 0.954 562 Q CA -1.181 54.545 55.803 -0.128 0.000 0.757 562 Q CB 1.524 30.221 28.738 -0.068 0.000 1.482 562 Q HN 0.352 nan 8.270 nan 0.000 0.437 563 V N 1.357 121.218 119.914 -0.088 0.000 2.532 563 V HA 0.601 4.723 4.120 0.004 0.000 0.295 563 V C -0.020 176.057 176.094 -0.028 0.000 1.041 563 V CA -0.140 62.114 62.300 -0.076 0.000 0.926 563 V CB 1.459 33.238 31.823 -0.073 0.000 0.992 563 V HN 0.942 nan 8.190 nan 0.000 0.457 564 T N 2.525 117.077 114.554 -0.003 0.000 2.885 564 T HA 0.804 5.156 4.350 0.004 0.000 0.285 564 T C -0.605 174.151 174.700 0.094 0.000 1.019 564 T CA -0.982 61.143 62.100 0.042 0.000 1.010 564 T CB 1.676 70.569 68.868 0.042 0.000 1.022 564 T HN 0.644 nan 8.240 nan 0.000 0.466 565 R N 1.216 121.802 120.500 0.144 0.000 2.621 565 R HA 0.649 4.992 4.340 0.004 0.000 0.284 565 R C -1.146 175.338 176.300 0.307 0.000 0.998 565 R CA -1.021 55.233 56.100 0.257 0.000 0.895 565 R CB 2.405 32.863 30.300 0.262 0.000 1.195 565 R HN 0.651 nan 8.270 nan 0.000 0.450 566 K N 2.342 122.944 120.400 0.336 0.000 2.535 566 K HA 0.131 4.453 4.320 0.004 0.000 0.250 566 K C -1.410 175.181 176.600 -0.015 0.000 0.948 566 K CA -0.536 55.854 56.287 0.172 0.000 0.796 566 K CB 2.475 35.037 32.500 0.104 0.000 1.216 566 K HN 0.646 nan 8.250 nan 0.000 0.432 567 Q N 5.262 124.829 119.800 -0.389 0.000 2.337 567 Q HA 0.155 4.497 4.340 0.004 0.000 0.255 567 Q C -0.709 175.084 176.000 -0.346 0.000 0.997 567 Q CA -0.705 54.588 55.803 -0.851 0.000 0.925 567 Q CB 0.573 28.613 28.738 -1.163 0.000 1.212 567 Q HN 0.425 nan 8.270 nan 0.000 0.436 568 L N 3.994 125.079 121.223 -0.231 0.000 2.456 568 L HA -0.018 4.324 4.340 0.004 0.000 0.272 568 L C 1.215 178.032 176.870 -0.089 0.000 1.189 568 L CA 0.853 55.636 54.840 -0.095 0.000 0.846 568 L CB 0.642 42.686 42.059 -0.026 0.000 1.111 568 L HN 0.757 nan 8.230 nan 0.000 0.475 569 E N 0.188 120.352 120.200 -0.060 0.000 2.330 569 E HA 0.097 4.449 4.350 0.004 0.000 0.200 569 E C 0.307 176.875 176.600 -0.054 0.000 0.922 569 E CA 0.630 57.001 56.400 -0.048 0.000 0.935 569 E CB 0.561 30.242 29.700 -0.032 0.000 0.917 569 E HN 0.780 nan 8.360 nan 0.000 0.491 570 T N -2.429 112.091 114.554 -0.056 0.000 2.916 570 T HA 0.364 4.716 4.350 0.004 0.000 0.292 570 T C 0.866 175.520 174.700 -0.077 0.000 1.055 570 T CA -0.711 61.352 62.100 -0.062 0.000 1.009 570 T CB 2.190 71.026 68.868 -0.054 0.000 1.118 570 T HN -0.208 nan 8.240 nan 0.000 0.497 571 E N 0.451 120.605 120.200 -0.077 0.000 2.130 571 E HA -0.235 4.117 4.350 0.004 0.000 0.196 571 E C 1.608 178.128 176.600 -0.134 0.000 0.998 571 E CA 1.517 57.862 56.400 -0.092 0.000 0.806 571 E CB -0.089 29.561 29.700 -0.082 0.000 0.738 571 E HN 0.725 nan 8.360 nan 0.000 0.459 572 E N 0.830 120.961 120.200 -0.114 0.000 2.118 572 E HA -0.184 4.168 4.350 0.004 0.000 0.195 572 E C 1.840 178.344 176.600 -0.159 0.000 0.992 572 E CA 1.109 57.438 56.400 -0.119 0.000 0.804 572 E CB 0.024 29.678 29.700 -0.076 0.000 0.741 572 E HN 0.287 nan 8.360 nan 0.000 0.458 573 Q N -1.276 118.435 119.800 -0.149 0.000 2.378 573 Q HA 0.100 4.442 4.340 0.004 0.000 0.205 573 Q C 1.025 176.811 176.000 -0.356 0.000 0.954 573 Q CA 0.927 56.628 55.803 -0.170 0.000 0.901 573 Q CB 0.370 29.061 28.738 -0.079 0.000 0.981 573 Q HN 0.187 nan 8.270 nan 0.000 0.483 574 A N 0.177 122.770 122.820 -0.378 0.000 2.500 574 A HA 0.512 4.835 4.320 0.004 0.000 0.267 574 A C 0.420 177.585 177.584 -0.698 0.000 1.290 574 A CA -0.187 51.533 52.037 -0.528 0.000 0.928 574 A CB 0.437 19.380 19.000 -0.095 0.000 1.066 574 A HN 0.159 nan 8.150 nan 0.000 0.516 575 A N 0.514 122.940 122.820 -0.657 0.000 2.582 575 A HA 0.653 4.975 4.320 0.004 0.000 0.336 575 A C -0.849 176.560 177.584 -0.292 0.000 1.445 575 A CA -0.380 51.425 52.037 -0.386 0.000 0.997 575 A CB -0.645 18.177 19.000 -0.297 0.000 1.148 575 A HN 0.262 nan 8.150 nan 0.000 0.514 576 F N 2.943 123.029 119.950 0.228 0.000 2.421 576 F HA 0.361 4.890 4.527 0.003 0.000 0.358 576 F C -2.106 173.850 175.800 0.261 0.000 1.115 576 F CA -2.422 55.705 58.000 0.210 0.000 1.160 576 F CB 0.720 39.808 39.000 0.147 0.000 1.123 576 F HN 0.341 nan 8.300 nan 0.000 0.508 577 P HA -0.056 nan 4.420 nan 0.000 0.264 577 P C -0.192 177.187 177.300 0.132 0.000 1.193 577 P CA -0.161 63.028 63.100 0.149 0.000 0.763 577 P CB 0.526 32.277 31.700 0.085 0.000 0.810 578 L N 3.892 125.153 121.223 0.064 0.000 2.578 578 L HA 0.171 4.513 4.340 0.004 0.000 0.279 578 L C 1.533 178.434 176.870 0.052 0.000 1.227 578 L CA 2.019 56.900 54.840 0.069 0.000 0.900 578 L CB -0.947 41.126 42.059 0.023 0.000 1.144 578 L HN 0.790 nan 8.230 nan 0.000 0.496 579 G N 2.400 111.236 108.800 0.060 0.000 2.212 579 G HA2 -0.257 3.706 3.960 0.004 0.000 0.266 579 G HA3 -0.257 3.706 3.960 0.004 0.000 0.266 579 G C 0.588 175.519 174.900 0.052 0.000 0.978 579 G CA 0.396 45.524 45.100 0.047 0.000 0.632 579 G HN 1.204 nan 8.290 nan 0.000 0.537 580 G N -0.241 108.602 108.800 0.072 0.000 2.510 580 G HA2 0.759 4.721 3.960 0.004 0.000 0.280 580 G HA3 0.759 4.721 3.960 0.004 0.000 0.280 580 G C 0.374 175.324 174.900 0.084 0.000 1.386 580 G CA 0.276 45.425 45.100 0.082 0.000 1.047 580 G HN 1.487 nan 8.290 nan 0.000 0.527 581 A N -0.573 122.304 122.820 0.094 0.000 2.327 581 A HA 0.695 5.017 4.320 0.004 0.000 0.283 581 A C 0.349 177.987 177.584 0.090 0.000 1.127 581 A CA 0.275 52.357 52.037 0.075 0.000 0.810 581 A CB 0.623 19.667 19.000 0.073 0.000 1.066 581 A HN 1.819 nan 8.150 nan 0.000 0.492 582 S N 1.515 117.204 115.700 -0.018 0.000 2.537 582 S HA 0.727 5.200 4.470 0.004 0.000 0.270 582 S C -3.242 171.226 174.600 -0.221 0.000 1.142 582 S CA -1.296 56.773 58.200 -0.219 0.000 0.870 582 S CB 0.945 63.872 63.200 -0.454 0.000 1.112 582 S HN 0.462 nan 8.310 nan 0.000 0.466 583 P HA 0.185 nan 4.420 nan 0.000 0.263 583 P C 0.530 177.772 177.300 -0.098 0.000 1.175 583 P CA -0.233 62.801 63.100 -0.109 0.000 0.761 583 P CB 0.367 32.021 31.700 -0.078 0.000 0.794 584 R N 1.418 121.920 120.500 0.003 0.000 2.115 584 R HA -0.061 4.282 4.340 0.004 0.000 0.230 584 R C 0.113 176.385 176.300 -0.046 0.000 1.111 584 R CA 1.219 57.321 56.100 0.003 0.000 0.976 584 R CB -0.156 30.205 30.300 0.102 0.000 0.870 584 R HN 0.549 nan 8.270 nan 0.000 0.445 585 Y N 0.465 120.713 120.300 -0.086 0.000 2.464 585 Y HA 0.315 4.867 4.550 0.004 0.000 0.326 585 Y C -0.740 175.172 175.900 0.020 0.000 0.969 585 Y CA -0.786 57.256 58.100 -0.096 0.000 1.270 585 Y CB 1.353 39.716 38.460 -0.162 0.000 1.103 585 Y HN -0.073 nan 8.280 nan 0.000 0.491 586 L N 6.424 127.693 121.223 0.077 0.000 2.333 586 L HA 0.633 4.975 4.340 0.004 0.000 0.280 586 L C -1.443 175.574 176.870 0.246 0.000 1.004 586 L CA -0.614 54.296 54.840 0.117 0.000 0.820 586 L CB 0.721 42.760 42.059 -0.033 0.000 1.247 586 L HN 0.516 nan 8.230 nan 0.000 0.416 587 Y N 3.024 123.426 120.300 0.171 0.000 2.615 587 Y HA 0.777 5.329 4.550 0.003 0.000 0.341 587 Y C -1.873 174.202 175.900 0.292 0.000 1.089 587 Y CA -1.648 56.574 58.100 0.204 0.000 1.049 587 Y CB 0.955 39.547 38.460 0.220 0.000 1.296 587 Y HN 0.350 nan 8.280 nan 0.000 0.470 588 L N 2.539 124.030 121.223 0.446 0.000 2.309 588 L HA 0.895 5.237 4.340 0.004 0.000 0.282 588 L C -0.164 177.030 176.870 0.540 0.000 1.036 588 L CA -0.515 54.543 54.840 0.362 0.000 0.806 588 L CB 1.537 43.750 42.059 0.257 0.000 1.220 588 L HN 0.972 nan 8.230 nan 0.000 0.429 589 A N 1.432 124.582 122.820 0.551 0.000 2.454 589 A HA 0.832 5.154 4.320 0.004 0.000 0.302 589 A C -0.320 177.596 177.584 0.553 0.000 1.079 589 A CA -0.353 52.051 52.037 0.612 0.000 0.731 589 A CB 1.546 21.000 19.000 0.756 0.000 1.299 589 A HN 0.682 nan 8.150 nan 0.000 0.413 590 S N 0.444 116.414 115.700 0.449 0.000 2.686 590 S HA 0.398 4.870 4.470 0.004 0.000 0.270 590 S C 0.608 175.415 174.600 0.344 0.000 1.194 590 S CA -0.131 58.317 58.200 0.413 0.000 0.990 590 S CB 0.633 63.996 63.200 0.270 0.000 1.029 590 S HN 0.598 nan 8.310 nan 0.000 0.560 591 K N 0.334 120.913 120.400 0.298 0.000 2.103 591 K HA 0.001 4.323 4.320 0.004 0.000 0.204 591 K C 0.993 177.587 176.600 -0.011 0.000 1.052 591 K CA 0.886 57.177 56.287 0.007 0.000 0.945 591 K CB -0.929 31.645 32.500 0.123 0.000 0.722 591 K HN 0.842 nan 8.250 nan 0.000 0.443 592 Q N 0.736 120.561 119.800 0.042 0.000 2.340 592 Q HA 0.383 4.726 4.340 0.004 0.000 0.249 592 Q C -0.544 175.445 176.000 -0.018 0.000 0.957 592 Q CA -0.373 55.428 55.803 -0.004 0.000 0.882 592 Q CB 1.333 30.063 28.738 -0.012 0.000 1.235 592 Q HN -0.061 nan 8.270 nan 0.000 0.439 593 S N 1.558 117.227 115.700 -0.051 0.000 2.730 593 S HA 0.303 4.775 4.470 0.004 0.000 0.284 593 S C -0.117 174.426 174.600 -0.096 0.000 1.153 593 S CA -0.834 57.329 58.200 -0.061 0.000 0.995 593 S CB 0.771 63.924 63.200 -0.079 0.000 1.058 593 S HN 0.893 nan 8.310 nan 0.000 0.552 594 N N 0.939 119.584 118.700 -0.092 0.000 2.431 594 N HA 0.169 4.911 4.740 0.004 0.000 0.289 594 N C 0.686 176.062 175.510 -0.224 0.000 1.277 594 N CA -0.554 52.411 53.050 -0.142 0.000 0.972 594 N CB 0.043 38.482 38.487 -0.079 0.000 1.143 594 N HN 0.567 nan 8.380 nan 0.000 0.578 595 K N -0.695 119.460 120.400 -0.408 0.000 2.152 595 K HA -0.091 4.231 4.320 0.004 0.000 0.206 595 K C 0.716 176.899 176.600 -0.694 0.000 1.048 595 K CA 1.301 57.180 56.287 -0.681 0.000 0.933 595 K CB -0.178 31.668 32.500 -1.090 0.000 0.721 595 K HN 0.652 nan 8.250 nan 0.000 0.447 596 W N 0.066 121.356 121.300 -0.016 0.000 3.405 596 W HA 0.226 4.889 4.660 0.006 0.000 0.300 596 W C 0.965 177.438 176.519 -0.076 0.000 1.286 596 W CA 0.004 57.344 57.345 -0.008 0.000 1.762 596 W CB 0.408 29.901 29.460 0.055 0.000 1.087 596 W HN 0.286 nan 8.180 nan 0.000 0.703 597 G N 0.320 109.116 108.800 -0.008 0.000 2.136 597 G HA2 -0.257 3.705 3.960 0.004 0.000 0.242 597 G HA3 -0.257 3.705 3.960 0.004 0.000 0.242 597 G C -0.069 174.662 174.900 -0.282 0.000 0.989 597 G CA -0.356 44.660 45.100 -0.140 0.000 0.682 597 G HN 0.428 nan 8.290 nan 0.000 0.522 598 H N 0.200 119.235 119.070 -0.058 0.000 2.472 598 H HA 0.362 4.920 4.556 0.004 0.000 0.338 598 H C -2.395 172.858 175.328 -0.124 0.000 1.133 598 H CA -1.831 54.139 56.048 -0.129 0.000 1.216 598 H CB 1.824 31.477 29.762 -0.181 0.000 1.497 598 H HN 0.022 nan 8.280 nan 0.000 0.500 599 P HA -0.013 nan 4.420 nan 0.000 0.262 599 P C -0.065 177.292 177.300 0.095 0.000 1.182 599 P CA 0.316 63.447 63.100 0.052 0.000 0.761 599 P CB 0.544 32.290 31.700 0.076 0.000 0.795 600 R N 2.343 122.905 120.500 0.103 0.000 2.401 600 R HA 0.513 4.855 4.340 0.004 0.000 0.299 600 R C 0.777 177.268 176.300 0.317 0.000 1.064 600 R CA 0.225 56.388 56.100 0.106 0.000 1.000 600 R CB 0.268 30.551 30.300 -0.029 0.000 0.973 600 R HN 0.621 nan 8.270 nan 0.000 0.438 601 G N 1.660 110.643 108.800 0.306 0.000 2.692 601 G HA2 0.423 4.385 3.960 0.004 0.000 0.291 601 G HA3 0.423 4.385 3.960 0.004 0.000 0.291 601 G C -2.043 173.003 174.900 0.244 0.000 1.423 601 G CA -0.449 44.901 45.100 0.417 0.000 0.843 601 G HN 0.398 nan 8.290 nan 0.000 0.486 602 Y N 0.814 121.253 120.300 0.230 0.000 2.326 602 Y HA 0.505 5.058 4.550 0.004 0.000 0.331 602 Y C 0.852 176.853 175.900 0.167 0.000 0.962 602 Y CA -0.793 57.358 58.100 0.085 0.000 1.167 602 Y CB 1.627 40.072 38.460 -0.024 0.000 1.148 602 Y HN 0.725 nan 8.280 nan 0.000 0.463 603 R N 3.544 124.112 120.500 0.114 0.000 2.573 603 R HA 0.785 5.127 4.340 0.004 0.000 0.272 603 R C -1.384 174.964 176.300 0.081 0.000 1.009 603 R CA -0.674 55.499 56.100 0.122 0.000 1.059 603 R CB 1.370 31.638 30.300 -0.052 0.000 1.112 603 R HN 0.590 nan 8.270 nan 0.000 0.517 604 I N 1.544 122.146 120.570 0.054 0.000 2.362 604 I HA 0.210 4.383 4.170 0.004 0.000 0.289 604 I C -0.471 175.641 176.117 -0.009 0.000 0.994 604 I CA -0.633 60.688 61.300 0.036 0.000 1.158 604 I CB 1.789 39.777 38.000 -0.019 0.000 1.315 604 I HN 0.634 nan 8.210 nan 0.000 0.451 605 Q N 6.262 126.090 119.800 0.046 0.000 2.363 605 Q HA 0.333 4.675 4.340 0.004 0.000 0.265 605 Q C -0.562 175.501 176.000 0.105 0.000 1.032 605 Q CA -0.662 55.142 55.803 0.002 0.000 0.746 605 Q CB 1.501 30.202 28.738 -0.062 0.000 1.237 605 Q HN 0.793 nan 8.270 nan 0.000 0.475 606 T N -0.526 114.060 114.554 0.053 0.000 2.910 606 T HA 0.496 4.849 4.350 0.004 0.000 0.293 606 T C -0.064 174.656 174.700 0.033 0.000 1.015 606 T CA -0.566 61.589 62.100 0.093 0.000 1.094 606 T CB 1.335 70.242 68.868 0.065 0.000 0.968 606 T HN 0.279 nan 8.240 nan 0.000 0.521 607 V N 3.371 123.305 119.914 0.032 0.000 2.398 607 V HA 0.650 4.773 4.120 0.004 0.000 0.282 607 V C -0.149 175.850 176.094 -0.160 0.000 1.014 607 V CA -0.509 61.746 62.300 -0.075 0.000 0.838 607 V CB 0.624 32.466 31.823 0.033 0.000 1.018 607 V HN 1.346 nan 8.190 nan 0.000 0.432 608 S N 3.284 118.744 115.700 -0.400 0.000 2.615 608 S HA 0.800 5.273 4.470 0.004 0.000 0.269 608 S C -1.091 173.042 174.600 -0.778 0.000 1.161 608 S CA -0.643 57.337 58.200 -0.368 0.000 0.817 608 S CB 1.867 65.072 63.200 0.008 0.000 1.131 608 S HN 0.248 nan 8.310 nan 0.000 0.467 609 F N 0.686 120.733 119.950 0.162 0.000 2.619 609 F HA 0.659 5.189 4.527 0.004 0.000 0.382 609 F C 0.934 176.833 175.800 0.166 0.000 1.466 609 F CA -0.538 57.547 58.000 0.141 0.000 1.137 609 F CB 0.271 39.349 39.000 0.130 0.000 1.205 609 F HN 0.923 nan 8.300 nan 0.000 0.525 610 A N 0.415 123.359 122.820 0.208 0.000 2.577 610 A HA 0.374 4.697 4.320 0.004 0.000 0.233 610 A C 1.667 179.325 177.584 0.123 0.000 1.076 610 A CA 0.726 52.859 52.037 0.159 0.000 0.767 610 A CB -0.011 19.055 19.000 0.110 0.000 1.017 610 A HN 0.691 nan 8.150 nan 0.000 0.511 611 G N -0.252 108.590 108.800 0.070 0.000 3.042 611 G HA2 0.517 4.479 3.960 0.004 0.000 0.212 611 G HA3 0.517 4.479 3.960 0.004 0.000 0.212 611 G C 0.775 175.685 174.900 0.016 0.000 1.166 611 G CA 0.728 45.853 45.100 0.041 0.000 0.767 611 G HN 2.245 nan 8.290 nan 0.000 0.546 612 G N 0.785 109.589 108.800 0.006 0.000 3.326 612 G HA2 0.172 4.134 3.960 0.004 0.000 0.681 612 G HA3 0.172 4.134 3.960 0.004 0.000 0.681 612 G C -2.350 172.531 174.900 -0.031 0.000 1.255 612 G CA -0.558 44.537 45.100 -0.008 0.000 0.976 612 G HN 0.271 nan 8.290 nan 0.000 0.563 613 P HA 0.391 nan 4.420 nan 0.000 0.268 613 P C 0.370 177.637 177.300 -0.055 0.000 1.208 613 P CA -0.364 62.691 63.100 -0.075 0.000 0.777 613 P CB 0.758 32.389 31.700 -0.114 0.000 0.875 614 M N 3.853 123.432 119.600 -0.034 0.000 2.239 614 M HA 0.254 4.736 4.480 0.004 0.000 0.348 614 M C -2.311 173.957 176.300 -0.052 0.000 1.239 614 M CA -1.566 53.737 55.300 0.004 0.000 1.114 614 M CB -0.495 32.192 32.600 0.145 0.000 1.641 614 M HN 0.153 nan 8.290 nan 0.000 0.453 615 P HA 0.019 nan 4.420 nan 0.000 0.265 615 P C -0.493 176.755 177.300 -0.085 0.000 1.193 615 P CA 0.189 63.255 63.100 -0.056 0.000 0.765 615 P CB 0.369 32.049 31.700 -0.033 0.000 0.823 616 Q N 1.320 121.061 119.800 -0.099 0.000 2.437 616 Q HA -0.137 4.205 4.340 0.004 0.000 0.210 616 Q C 1.137 177.082 176.000 -0.091 0.000 0.972 616 Q CA 0.724 56.455 55.803 -0.120 0.000 0.903 616 Q CB -0.230 28.441 28.738 -0.113 0.000 0.967 616 Q HN 0.428 nan 8.270 nan 0.000 0.486 617 N N 0.311 118.975 118.700 -0.061 0.000 2.381 617 N HA -0.075 4.667 4.740 0.004 0.000 0.182 617 N C 0.480 175.973 175.510 -0.029 0.000 1.025 617 N CA 0.372 53.400 53.050 -0.038 0.000 0.888 617 N CB -0.041 38.431 38.487 -0.025 0.000 0.965 617 N HN 0.026 nan 8.380 nan 0.000 0.438 618 S N 2.194 117.870 115.700 -0.040 0.000 2.525 618 S HA 0.068 4.541 4.470 0.004 0.000 0.285 618 S C -1.272 173.319 174.600 -0.015 0.000 1.283 618 S CA -1.206 56.986 58.200 -0.015 0.000 1.072 618 S CB 0.889 64.078 63.200 -0.018 0.000 0.867 618 S HN 0.121 nan 8.310 nan 0.000 0.492 619 P HA -0.113 nan 4.420 nan 0.000 0.229 619 P C 0.808 178.175 177.300 0.112 0.000 1.150 619 P CA 1.074 64.249 63.100 0.125 0.000 0.765 619 P CB -0.150 31.685 31.700 0.225 0.000 0.783 620 M N -2.464 117.120 119.600 -0.026 0.000 2.300 620 M HA 0.275 4.757 4.480 0.004 0.000 0.313 620 M C 1.393 177.421 176.300 -0.453 0.000 0.988 620 M CA 0.132 55.297 55.300 -0.225 0.000 1.012 620 M CB 0.071 32.472 32.600 -0.332 0.000 1.586 620 M HN -0.300 nan 8.290 nan 0.000 0.562 621 E N 2.036 121.920 120.200 -0.527 0.000 2.268 621 E HA -0.113 4.239 4.350 0.004 0.000 0.195 621 E C 1.647 177.653 176.600 -0.989 0.000 0.995 621 E CA 1.424 57.170 56.400 -1.090 0.000 0.836 621 E CB -0.447 28.872 29.700 -0.634 0.000 0.763 621 E HN 0.587 nan 8.360 nan 0.000 0.491 622 R N 0.409 120.596 120.500 -0.523 0.000 2.127 622 R HA -0.014 4.328 4.340 0.004 0.000 0.238 622 R C 2.332 178.441 176.300 -0.319 0.000 1.134 622 R CA 1.244 57.137 56.100 -0.345 0.000 0.975 622 R CB -0.520 29.665 30.300 -0.191 0.000 0.865 622 R HN 0.359 nan 8.270 nan 0.000 0.447 623 A N 1.348 123.960 122.820 -0.347 0.000 2.070 623 A HA -0.134 4.189 4.320 0.004 0.000 0.220 623 A C 1.081 178.676 177.584 0.018 0.000 1.159 623 A CA 1.006 52.969 52.037 -0.123 0.000 0.656 623 A CB -0.346 18.623 19.000 -0.052 0.000 0.800 623 A HN 0.447 nan 8.150 nan 0.000 0.453 624 F N -1.649 118.205 119.950 -0.160 0.000 2.818 624 F HA 0.351 4.880 4.527 0.004 0.000 0.369 624 F C 1.139 176.534 175.800 -0.675 0.000 1.327 624 F CA -0.251 57.514 58.000 -0.391 0.000 1.211 624 F CB -0.764 37.949 39.000 -0.479 0.000 1.036 624 F HN 0.050 nan 8.300 nan 0.000 0.510 625 S N -0.029 115.445 115.700 -0.377 0.000 2.537 625 S HA -0.169 4.303 4.470 0.004 0.000 0.240 625 S C 1.502 176.063 174.600 -0.065 0.000 0.981 625 S CA 0.600 58.641 58.200 -0.265 0.000 0.948 625 S CB -0.972 62.153 63.200 -0.125 0.000 0.759 625 S HN 0.758 nan 8.310 nan 0.000 0.531 626 W N 1.447 122.711 121.300 -0.059 0.000 2.465 626 W HA 0.237 4.899 4.660 0.005 0.000 0.268 626 W C 1.714 178.169 176.519 -0.107 0.000 1.242 626 W CA 0.286 57.463 57.345 -0.279 0.000 1.248 626 W CB -1.484 27.138 29.460 -1.396 0.000 1.118 626 W HN 0.398 nan 8.180 nan 0.000 0.587 627 G N 1.520 109.869 108.800 -0.751 0.000 2.535 627 G HA2 -0.229 3.733 3.960 0.004 0.000 0.218 627 G HA3 -0.229 3.733 3.960 0.004 0.000 0.218 627 G C 1.781 176.512 174.900 -0.282 0.000 1.122 627 G CA 0.304 45.072 45.100 -0.553 0.000 0.769 627 G HN 0.272 nan 8.290 nan 0.000 0.549 628 R N -1.112 119.157 120.500 -0.386 0.000 2.189 628 R HA 0.055 4.398 4.340 0.004 0.000 0.218 628 R C -0.180 175.733 176.300 -0.646 0.000 1.074 628 R CA 0.440 56.171 56.100 -0.615 0.000 0.991 628 R CB -0.048 29.630 30.300 -1.036 0.000 0.883 628 R HN 0.481 nan 8.270 nan 0.000 0.457 629 Y N -1.035 119.334 120.300 0.116 0.000 2.468 629 Y HA 0.192 4.745 4.550 0.005 0.000 0.342 629 Y C 1.077 177.111 175.900 0.225 0.000 1.021 629 Y CA -1.077 57.136 58.100 0.188 0.000 1.079 629 Y CB 1.345 39.959 38.460 0.256 0.000 1.226 629 Y HN -0.303 nan 8.280 nan 0.000 0.460 630 Q N 1.313 121.334 119.800 0.369 0.000 2.163 630 Q HA 0.181 4.523 4.340 0.004 0.000 0.198 630 Q C -0.932 175.256 176.000 0.313 0.000 0.954 630 Q CA 0.985 56.959 55.803 0.285 0.000 0.851 630 Q CB 0.394 29.257 28.738 0.209 0.000 0.928 630 Q HN 0.664 nan 8.270 nan 0.000 0.459 631 L N -0.733 120.733 121.223 0.405 0.000 2.545 631 L HA 0.787 5.130 4.340 0.004 0.000 0.258 631 L C -2.210 174.921 176.870 0.435 0.000 0.942 631 L CA -0.244 54.821 54.840 0.375 0.000 0.855 631 L CB 2.019 44.256 42.059 0.296 0.000 1.374 631 L HN -0.048 nan 8.230 nan 0.000 0.411 632 A N 4.753 127.794 122.820 0.368 0.000 2.488 632 A HA 0.848 5.170 4.320 0.004 0.000 0.298 632 A C -1.761 176.045 177.584 0.369 0.000 1.044 632 A CA -0.465 51.733 52.037 0.269 0.000 0.693 632 A CB 1.325 20.417 19.000 0.153 0.000 1.272 632 A HN 0.498 nan 8.150 nan 0.000 0.402 633 I N 2.424 123.131 120.570 0.227 0.000 2.433 633 I HA 0.672 4.845 4.170 0.004 0.000 0.292 633 I C 0.510 176.736 176.117 0.182 0.000 1.001 633 I CA -0.161 61.272 61.300 0.221 0.000 1.119 633 I CB 1.049 39.128 38.000 0.132 0.000 1.289 633 I HN 0.873 nan 8.210 nan 0.000 0.438 634 T N 2.070 116.779 114.554 0.258 0.000 2.804 634 T HA 0.500 4.852 4.350 0.004 0.000 0.290 634 T C -0.428 174.347 174.700 0.125 0.000 1.099 634 T CA -0.917 61.291 62.100 0.180 0.000 1.011 634 T CB 1.785 70.816 68.868 0.273 0.000 1.291 634 T HN 0.483 nan 8.240 nan 0.000 0.523 635 Q N 0.669 120.504 119.800 0.059 0.000 2.286 635 Q HA 0.388 4.731 4.340 0.004 0.000 0.257 635 Q C -0.115 175.907 176.000 0.037 0.000 0.941 635 Q CA -0.689 55.120 55.803 0.010 0.000 0.912 635 Q CB 1.069 29.787 28.738 -0.033 0.000 1.192 635 Q HN 0.503 nan 8.270 nan 0.000 0.410 636 R N 2.771 123.280 120.500 0.014 0.000 2.484 636 R HA 0.049 4.391 4.340 0.004 0.000 0.293 636 R C -1.054 175.239 176.300 -0.012 0.000 1.023 636 R CA 0.834 56.942 56.100 0.014 0.000 1.037 636 R CB 0.323 30.609 30.300 -0.024 0.000 0.951 636 R HN 0.375 nan 8.270 nan 0.000 0.418 637 K N 3.257 123.648 120.400 -0.014 0.000 2.427 637 K HA 0.107 4.430 4.320 0.004 0.000 0.252 637 K C -0.108 176.473 176.600 -0.032 0.000 0.931 637 K CA -0.836 55.420 56.287 -0.052 0.000 0.793 637 K CB 1.927 34.360 32.500 -0.112 0.000 1.211 637 K HN 0.509 nan 8.250 nan 0.000 0.426 638 E N 0.506 120.692 120.200 -0.023 0.000 2.153 638 E HA -0.141 4.212 4.350 0.004 0.000 0.194 638 E C 1.287 177.886 176.600 -0.001 0.000 0.988 638 E CA 1.898 58.300 56.400 0.004 0.000 0.811 638 E CB 0.112 29.811 29.700 -0.002 0.000 0.746 638 E HN 0.711 nan 8.360 nan 0.000 0.466 639 T N -2.347 112.182 114.554 -0.042 0.000 3.148 639 T HA 0.070 4.423 4.350 0.004 0.000 0.253 639 T C 0.309 174.944 174.700 -0.109 0.000 1.134 639 T CA 0.174 62.239 62.100 -0.058 0.000 1.051 639 T CB -0.087 68.740 68.868 -0.068 0.000 0.959 639 T HN 0.044 nan 8.240 nan 0.000 0.525 640 E N 1.748 121.853 120.200 -0.159 0.000 3.651 640 E HA 0.190 4.542 4.350 0.004 0.000 0.220 640 E C -1.979 174.655 176.600 0.056 0.000 1.222 640 E CA -1.706 54.499 56.400 -0.325 0.000 1.114 640 E CB 1.460 30.513 29.700 -1.079 0.000 1.278 640 E HN 0.280 nan 8.360 nan 0.000 0.412 641 P HA -0.066 nan 4.420 nan 0.000 0.222 641 P C 0.023 177.572 177.300 0.415 0.000 1.153 641 P CA 0.685 63.950 63.100 0.274 0.000 0.798 641 P CB 0.462 32.294 31.700 0.221 0.000 0.796 642 S N -0.845 115.138 115.700 0.472 0.000 2.549 642 S HA 0.313 4.785 4.470 0.004 0.000 0.280 642 S C 0.622 175.531 174.600 0.516 0.000 1.109 642 S CA -0.429 58.069 58.200 0.496 0.000 0.905 642 S CB 1.694 65.086 63.200 0.319 0.000 1.081 642 S HN 0.064 nan 8.310 nan 0.000 0.477 643 S N 0.040 115.941 115.700 0.335 0.000 2.603 643 S HA 0.287 4.759 4.470 0.004 0.000 0.220 643 S C 0.673 175.267 174.600 -0.010 0.000 0.967 643 S CA 0.178 58.386 58.200 0.015 0.000 0.920 643 S CB -0.039 62.968 63.200 -0.321 0.000 0.773 643 S HN 0.595 nan 8.310 nan 0.000 0.529 644 S N -0.367 115.376 115.700 0.072 0.000 2.880 644 S HA 0.775 5.247 4.470 0.004 0.000 0.308 644 S C -1.521 173.151 174.600 0.120 0.000 1.195 644 S CA -0.282 57.969 58.200 0.086 0.000 0.866 644 S CB 1.593 64.811 63.200 0.030 0.000 1.254 644 S HN 0.394 nan 8.310 nan 0.000 0.571 645 S N -0.191 115.559 115.700 0.085 0.000 2.537 645 S HA 0.420 4.892 4.470 0.004 0.000 0.271 645 S C 0.543 175.082 174.600 -0.102 0.000 1.148 645 S CA -0.273 57.950 58.200 0.039 0.000 0.868 645 S CB 1.037 64.311 63.200 0.123 0.000 1.115 645 S HN 0.652 nan 8.310 nan 0.000 0.461 646 V N 3.486 123.197 119.914 -0.338 0.000 2.469 646 V HA -0.066 4.056 4.120 0.004 0.000 0.251 646 V C 1.662 177.430 176.094 -0.543 0.000 1.064 646 V CA 1.865 63.833 62.300 -0.554 0.000 1.066 646 V CB -1.062 30.093 31.823 -1.114 0.000 0.667 646 V HN 0.830 nan 8.190 nan 0.000 0.461 647 F N 0.652 120.528 119.950 -0.123 0.000 2.748 647 F HA 0.104 4.633 4.527 0.003 0.000 0.299 647 F C 2.045 177.784 175.800 -0.102 0.000 1.154 647 F CA 0.128 58.042 58.000 -0.143 0.000 1.446 647 F CB -1.026 37.868 39.000 -0.178 0.000 1.112 647 F HN 0.174 nan 8.300 nan 0.000 0.584 648 N N 0.314 119.039 118.700 0.043 0.000 2.142 648 N HA -0.170 4.572 4.740 0.004 0.000 0.186 648 N C 1.943 177.440 175.510 -0.022 0.000 1.023 648 N CA 0.907 53.975 53.050 0.031 0.000 0.852 648 N CB -0.504 38.021 38.487 0.063 0.000 0.998 648 N HN 0.226 nan 8.380 nan 0.000 0.424 649 Q N 1.087 120.859 119.800 -0.047 0.000 2.077 649 Q HA -0.047 4.296 4.340 0.004 0.000 0.206 649 Q C 0.612 176.561 176.000 -0.086 0.000 0.989 649 Q CA 1.601 57.362 55.803 -0.071 0.000 0.853 649 Q CB -0.260 28.389 28.738 -0.148 0.000 0.907 649 Q HN 0.243 nan 8.270 nan 0.000 0.418 650 N N 0.379 119.042 118.700 -0.062 0.000 2.370 650 N HA 0.040 4.782 4.740 0.004 0.000 0.198 650 N C -0.869 174.680 175.510 0.065 0.000 1.156 650 N CA 0.584 53.630 53.050 -0.007 0.000 0.839 650 N CB 0.521 39.004 38.487 -0.007 0.000 0.989 650 N HN 0.224 nan 8.380 nan 0.000 0.468 651 D N -1.011 119.379 120.400 -0.016 0.000 3.361 651 D HA 0.095 4.737 4.640 0.004 0.000 0.246 651 D C -2.208 174.020 176.300 -0.120 0.000 1.395 651 D CA -0.898 53.139 54.000 0.061 0.000 0.839 651 D CB 0.931 41.888 40.800 0.263 0.000 1.469 651 D HN -0.036 nan 8.370 nan 0.000 0.636 652 P HA -0.003 nan 4.420 nan 0.000 0.227 652 P C 1.454 178.535 177.300 -0.364 0.000 1.161 652 P CA 0.287 63.131 63.100 -0.427 0.000 0.788 652 P CB 0.027 31.416 31.700 -0.518 0.000 0.822 653 W N 1.058 122.368 121.300 0.016 0.000 2.425 653 W HA 0.021 4.684 4.660 0.004 0.000 0.277 653 W C 0.084 176.599 176.519 -0.007 0.000 1.231 653 W CA 0.878 58.218 57.345 -0.009 0.000 1.248 653 W CB -1.250 28.199 29.460 -0.017 0.000 1.117 653 W HN 0.006 nan 8.180 nan 0.000 0.568 654 T N 1.629 116.305 114.554 0.203 0.000 3.305 654 T HA 0.166 4.519 4.350 0.004 0.000 0.348 654 T C -2.466 172.286 174.700 0.087 0.000 1.394 654 T CA -0.895 61.286 62.100 0.134 0.000 1.549 654 T CB 1.892 70.857 68.868 0.161 0.000 0.962 654 T HN -0.290 nan 8.240 nan 0.000 0.609 655 P HA 0.124 nan 4.420 nan 0.000 0.266 655 P C 0.584 177.919 177.300 0.060 0.000 1.195 655 P CA 0.017 63.136 63.100 0.031 0.000 0.768 655 P CB 1.018 32.716 31.700 -0.003 0.000 0.838 656 T N 0.509 115.109 114.554 0.076 0.000 2.985 656 T HA 0.080 4.432 4.350 0.004 0.000 0.266 656 T C 0.750 175.557 174.700 0.179 0.000 1.076 656 T CA 0.818 62.975 62.100 0.095 0.000 1.135 656 T CB 0.081 68.993 68.868 0.073 0.000 0.890 656 T HN 0.247 nan 8.240 nan 0.000 0.480 657 V N 1.994 121.995 119.914 0.146 0.000 2.612 657 V HA 0.392 4.515 4.120 0.004 0.000 0.301 657 V C -1.478 174.644 176.094 0.045 0.000 1.059 657 V CA -1.196 61.191 62.300 0.145 0.000 0.886 657 V CB 2.098 34.036 31.823 0.192 0.000 1.007 657 V HN 0.123 nan 8.190 nan 0.000 0.426 658 D N 3.500 123.882 120.400 -0.031 0.000 2.464 658 D HA 0.215 4.858 4.640 0.004 0.000 0.243 658 D C 0.691 176.813 176.300 -0.296 0.000 1.104 658 D CA -0.585 53.355 54.000 -0.100 0.000 0.883 658 D CB 1.058 41.811 40.800 -0.078 0.000 1.050 658 D HN 0.351 nan 8.370 nan 0.000 0.524 659 F N 3.602 123.262 119.950 -0.484 0.000 2.115 659 F HA -0.296 4.233 4.527 0.003 0.000 0.300 659 F C 2.275 177.660 175.800 -0.692 0.000 1.092 659 F CA 2.344 59.803 58.000 -0.903 0.000 1.245 659 F CB -0.320 38.355 39.000 -0.542 0.000 0.995 659 F HN 0.399 nan 8.300 nan 0.000 0.481 660 S N -0.531 114.918 115.700 -0.418 0.000 2.440 660 S HA -0.245 4.228 4.470 0.004 0.000 0.240 660 S C 1.729 176.112 174.600 -0.362 0.000 1.014 660 S CA 1.497 59.490 58.200 -0.344 0.000 0.980 660 S CB -0.837 62.338 63.200 -0.042 0.000 0.775 660 S HN 0.489 nan 8.310 nan 0.000 0.499 661 D N 1.120 121.332 120.400 -0.313 0.000 2.221 661 D HA -0.027 4.615 4.640 0.004 0.000 0.204 661 D C 1.296 177.592 176.300 -0.007 0.000 0.982 661 D CA 0.766 54.697 54.000 -0.114 0.000 0.857 661 D CB -0.415 40.383 40.800 -0.003 0.000 0.934 661 D HN 0.445 nan 8.370 nan 0.000 0.475 662 F N 0.403 120.108 119.950 -0.408 0.000 2.451 662 F HA 0.082 4.612 4.527 0.005 0.000 0.299 662 F C 1.194 176.776 175.800 -0.363 0.000 1.101 662 F CA -0.108 57.656 58.000 -0.395 0.000 1.436 662 F CB -0.819 37.831 39.000 -0.583 0.000 1.074 662 F HN -0.080 nan 8.300 nan 0.000 0.553 663 I N 2.690 123.113 120.570 -0.245 0.000 2.282 663 I HA 0.105 4.278 4.170 0.004 0.000 0.290 663 I C 0.303 176.344 176.117 -0.126 0.000 1.090 663 I CA -0.158 61.011 61.300 -0.219 0.000 1.231 663 I CB 0.048 37.846 38.000 -0.336 0.000 1.434 663 I HN 0.022 nan 8.210 nan 0.000 0.487 664 N N 5.641 124.291 118.700 -0.083 0.000 2.571 664 N HA 0.047 4.789 4.740 0.004 0.000 0.298 664 N C 0.165 175.644 175.510 -0.052 0.000 1.671 664 N CA -0.446 52.569 53.050 -0.059 0.000 0.900 664 N CB 0.080 38.543 38.487 -0.040 0.000 1.365 664 N HN 0.445 nan 8.380 nan 0.000 0.493 665 N N 0.734 119.398 118.700 -0.061 0.000 2.708 665 N HA -0.203 4.539 4.740 0.004 0.000 0.249 665 N C -0.874 174.606 175.510 -0.049 0.000 1.097 665 N CA 0.862 53.880 53.050 -0.054 0.000 0.710 665 N CB -0.872 37.589 38.487 -0.043 0.000 1.032 665 N HN 0.653 nan 8.380 nan 0.000 0.551 666 E N -0.669 119.500 120.200 -0.052 0.000 2.369 666 E HA 0.170 4.523 4.350 0.004 0.000 0.255 666 E C 0.474 177.040 176.600 -0.058 0.000 1.172 666 E CA -0.189 56.181 56.400 -0.051 0.000 0.932 666 E CB 0.516 30.186 29.700 -0.050 0.000 1.040 666 E HN 0.203 nan 8.360 nan 0.000 0.454 667 T N 0.659 115.176 114.554 -0.062 0.000 2.918 667 T HA 0.239 4.591 4.350 0.004 0.000 0.302 667 T C 0.569 175.208 174.700 -0.100 0.000 1.045 667 T CA -0.251 61.804 62.100 -0.075 0.000 1.114 667 T CB 0.111 68.934 68.868 -0.074 0.000 0.965 667 T HN 0.482 nan 8.240 nan 0.000 0.540 668 I N 1.636 122.137 120.570 -0.116 0.000 3.491 668 I HA 0.615 4.788 4.170 0.004 0.000 0.332 668 I C 0.254 176.220 176.117 -0.252 0.000 1.565 668 I CA -0.959 60.252 61.300 -0.149 0.000 1.050 668 I CB 0.215 38.161 38.000 -0.090 0.000 1.348 668 I HN 0.502 nan 8.210 nan 0.000 0.506 669 A N 1.538 124.178 122.820 -0.301 0.000 2.322 669 A HA 0.683 5.005 4.320 0.004 0.000 0.327 669 A C 1.102 178.120 177.584 -0.944 0.000 1.394 669 A CA 0.139 51.868 52.037 -0.512 0.000 0.921 669 A CB -0.262 18.709 19.000 -0.048 0.000 1.153 669 A HN 1.147 nan 8.150 nan 0.000 0.523 670 G N 1.774 109.384 108.800 -1.984 0.000 2.248 670 G HA2 -0.163 3.800 3.960 0.004 0.000 0.263 670 G HA3 -0.163 3.800 3.960 0.004 0.000 0.263 670 G C -0.065 174.397 174.900 -0.730 0.000 1.082 670 G CA 0.298 44.321 45.100 -1.794 0.000 0.863 670 G HN 0.636 nan 8.290 nan 0.000 0.495 671 K N -0.419 119.660 120.400 -0.535 0.000 2.378 671 K HA 0.501 4.823 4.320 0.004 0.000 0.244 671 K C -0.655 175.831 176.600 -0.191 0.000 1.039 671 K CA -1.075 55.045 56.287 -0.278 0.000 0.863 671 K CB 1.064 33.438 32.500 -0.209 0.000 1.326 671 K HN 0.108 nan 8.250 nan 0.000 0.460 672 D N 1.659 121.988 120.400 -0.119 0.000 2.339 672 D HA 0.180 4.823 4.640 0.004 0.000 0.256 672 D C -0.807 175.455 176.300 -0.063 0.000 1.214 672 D CA -0.169 53.786 54.000 -0.076 0.000 0.877 672 D CB 0.231 40.991 40.800 -0.067 0.000 1.111 672 D HN 0.069 nan 8.370 nan 0.000 0.478 673 L N 3.818 125.013 121.223 -0.045 0.000 2.334 673 L HA 0.520 4.862 4.340 0.004 0.000 0.272 673 L C -0.357 176.493 176.870 -0.034 0.000 1.020 673 L CA -0.992 53.833 54.840 -0.026 0.000 0.812 673 L CB 2.030 44.081 42.059 -0.014 0.000 1.264 673 L HN 0.220 nan 8.230 nan 0.000 0.439 674 V N 1.514 121.408 119.914 -0.033 0.000 2.638 674 V HA 0.822 4.945 4.120 0.004 0.000 0.306 674 V C -0.295 175.684 176.094 -0.192 0.000 1.052 674 V CA -0.947 61.243 62.300 -0.183 0.000 0.885 674 V CB 1.612 33.262 31.823 -0.288 0.000 0.999 674 V HN 0.853 nan 8.190 nan 0.000 0.424 675 A N 3.942 126.591 122.820 -0.285 0.000 2.305 675 A HA 0.865 5.188 4.320 0.004 0.000 0.322 675 A C -1.550 175.835 177.584 -0.331 0.000 1.187 675 A CA -0.407 51.538 52.037 -0.153 0.000 0.825 675 A CB 0.672 19.604 19.000 -0.113 0.000 1.164 675 A HN 0.817 nan 8.150 nan 0.000 0.498 676 W N 1.913 123.182 121.300 -0.051 0.000 2.538 676 W HA 0.549 5.212 4.660 0.005 0.000 0.322 676 W C -0.809 175.567 176.519 -0.237 0.000 1.028 676 W CA -0.614 56.595 57.345 -0.227 0.000 1.228 676 W CB 1.747 31.120 29.460 -0.146 0.000 1.356 676 W HN 0.424 nan 8.180 nan 0.000 0.452 677 V N 2.889 122.685 119.914 -0.197 0.000 2.513 677 V HA 0.592 4.715 4.120 0.004 0.000 0.299 677 V C -0.050 176.121 176.094 0.129 0.000 1.035 677 V CA -0.724 61.533 62.300 -0.072 0.000 0.889 677 V CB 1.749 33.360 31.823 -0.354 0.000 0.988 677 V HN 0.494 nan 8.190 nan 0.000 0.440 678 T N 4.028 118.790 114.554 0.347 0.000 2.794 678 T HA 0.775 5.128 4.350 0.004 0.000 0.280 678 T C -0.152 174.778 174.700 0.384 0.000 0.987 678 T CA -0.231 62.180 62.100 0.518 0.000 0.993 678 T CB 1.474 70.676 68.868 0.556 0.000 0.939 678 T HN 1.016 nan 8.240 nan 0.000 0.449 679 A N 2.141 125.205 122.820 0.406 0.000 2.515 679 A HA 1.032 5.354 4.320 0.004 0.000 0.298 679 A C -0.060 177.717 177.584 0.322 0.000 1.059 679 A CA -0.442 51.788 52.037 0.322 0.000 0.698 679 A CB 1.913 21.105 19.000 0.321 0.000 1.289 679 A HN 1.173 nan 8.150 nan 0.000 0.404 680 G N -0.608 108.370 108.800 0.297 0.000 2.428 680 G HA2 0.754 4.717 3.960 0.004 0.000 0.304 680 G HA3 0.754 4.717 3.960 0.004 0.000 0.304 680 G C -1.231 173.915 174.900 0.409 0.000 1.303 680 G CA 0.182 45.456 45.100 0.291 0.000 0.825 680 G HN 1.995 nan 8.290 nan 0.000 0.484 681 F N -1.964 118.121 119.950 0.225 0.000 2.741 681 F HA 0.790 5.320 4.527 0.004 0.000 0.313 681 F C -1.425 174.461 175.800 0.143 0.000 1.153 681 F CA -1.500 56.628 58.000 0.213 0.000 0.931 681 F CB 1.575 40.708 39.000 0.221 0.000 1.335 681 F HN 0.583 nan 8.300 nan 0.000 0.460 682 L N 2.098 123.473 121.223 0.254 0.000 2.312 682 L HA 0.448 4.790 4.340 0.004 0.000 0.281 682 L C -1.178 175.824 176.870 0.221 0.000 1.070 682 L CA -0.446 54.448 54.840 0.090 0.000 0.805 682 L CB 1.281 43.392 42.059 0.087 0.000 1.174 682 L HN 0.975 nan 8.230 nan 0.000 0.434 683 H N 5.628 124.601 119.070 -0.161 0.000 2.860 683 H HA 0.407 4.965 4.556 0.004 0.000 0.312 683 H C -1.007 174.182 175.328 -0.232 0.000 0.995 683 H CA -0.816 55.142 56.048 -0.150 0.000 1.311 683 H CB 1.275 30.809 29.762 -0.380 0.000 1.478 683 H HN 0.524 nan 8.280 nan 0.000 0.508 684 I N 7.954 128.612 120.570 0.147 0.000 2.330 684 I HA 0.222 4.394 4.170 0.004 0.000 0.286 684 I C -2.277 173.905 176.117 0.109 0.000 1.025 684 I CA -2.126 59.193 61.300 0.032 0.000 1.197 684 I CB 1.309 39.351 38.000 0.071 0.000 1.358 684 I HN 0.448 nan 8.210 nan 0.000 0.467 685 P HA 0.042 nan 4.420 nan 0.000 0.266 685 P C -1.160 176.197 177.300 0.095 0.000 1.193 685 P CA 0.408 63.447 63.100 -0.100 0.000 0.770 685 P CB 0.271 31.889 31.700 -0.137 0.000 0.836 686 H N -0.712 118.416 119.070 0.096 0.000 2.949 686 H HA 0.707 5.265 4.556 0.004 0.000 0.356 686 H C 0.971 176.334 175.328 0.057 0.000 1.212 686 H CA -1.082 55.003 56.048 0.061 0.000 1.136 686 H CB 0.494 30.290 29.762 0.058 0.000 1.869 686 H HN 0.236 nan 8.280 nan 0.000 0.556 687 A N 0.672 123.569 122.820 0.129 0.000 1.958 687 A HA -0.276 4.046 4.320 0.004 0.000 0.221 687 A C 1.649 179.260 177.584 0.046 0.000 1.178 687 A CA 2.198 54.273 52.037 0.062 0.000 0.642 687 A CB -0.944 18.094 19.000 0.063 0.000 0.816 687 A HN 0.842 nan 8.150 nan 0.000 0.453 688 E N 0.414 120.686 120.200 0.120 0.000 2.333 688 E HA -0.122 4.230 4.350 0.004 0.000 0.198 688 E C 0.960 177.546 176.600 -0.024 0.000 1.007 688 E CA 1.030 57.483 56.400 0.089 0.000 0.845 688 E CB -0.190 29.644 29.700 0.224 0.000 0.766 688 E HN 0.551 nan 8.360 nan 0.000 0.507 689 D N -0.295 120.015 120.400 -0.151 0.000 2.363 689 D HA 0.020 4.662 4.640 0.004 0.000 0.226 689 D C 0.113 176.404 176.300 -0.014 0.000 1.020 689 D CA 0.486 54.424 54.000 -0.103 0.000 0.892 689 D CB 0.253 40.980 40.800 -0.122 0.000 0.900 689 D HN 0.226 nan 8.370 nan 0.000 0.531 690 I N 1.824 122.385 120.570 -0.016 0.000 2.404 690 I HA 0.133 4.305 4.170 0.004 0.000 0.293 690 I C -1.240 174.871 176.117 -0.010 0.000 0.992 690 I CA -1.665 59.626 61.300 -0.016 0.000 1.149 690 I CB 2.454 40.440 38.000 -0.024 0.000 1.315 690 I HN -0.257 nan 8.210 nan 0.000 0.446 691 P HA 0.013 nan 4.420 nan 0.000 0.236 691 P C -0.733 176.554 177.300 -0.022 0.000 1.177 691 P CA 0.630 63.687 63.100 -0.072 0.000 0.773 691 P CB 0.216 31.853 31.700 -0.106 0.000 0.878 692 N N -0.469 118.278 118.700 0.078 0.000 2.308 692 N HA 0.183 4.925 4.740 0.004 0.000 0.283 692 N C -0.776 174.796 175.510 0.104 0.000 1.105 692 N CA -0.532 52.641 53.050 0.204 0.000 0.840 692 N CB 1.800 40.483 38.487 0.327 0.000 1.633 692 N HN -0.234 nan 8.380 nan 0.000 0.476 693 T N -1.271 113.343 114.554 0.101 0.000 2.907 693 T HA 0.419 4.771 4.350 0.004 0.000 0.298 693 T C 0.704 175.399 174.700 -0.009 0.000 1.017 693 T CA -0.513 61.609 62.100 0.036 0.000 1.118 693 T CB 0.807 69.712 68.868 0.062 0.000 0.948 693 T HN 0.502 nan 8.240 nan 0.000 0.531 694 V N 0.377 120.271 119.914 -0.033 0.000 2.850 694 V HA 0.683 4.805 4.120 0.004 0.000 0.315 694 V C 1.005 177.045 176.094 -0.090 0.000 1.064 694 V CA -0.496 61.770 62.300 -0.057 0.000 0.979 694 V CB 1.196 32.992 31.823 -0.044 0.000 1.039 694 V HN 1.050 nan 8.190 nan 0.000 0.452 695 T N -0.886 113.606 114.554 -0.104 0.000 3.473 695 T HA 0.201 4.553 4.350 0.004 0.000 0.247 695 T C 0.331 174.961 174.700 -0.116 0.000 1.010 695 T CA -0.159 61.870 62.100 -0.119 0.000 0.940 695 T CB -0.996 67.770 68.868 -0.170 0.000 1.068 695 T HN 0.612 nan 8.240 nan 0.000 0.604 696 V N 2.220 122.070 119.914 -0.107 0.000 2.493 696 V HA 0.528 4.650 4.120 0.004 0.000 0.292 696 V C 1.279 177.309 176.094 -0.106 0.000 1.016 696 V CA 1.204 63.446 62.300 -0.097 0.000 1.097 696 V CB -0.496 31.277 31.823 -0.083 0.000 0.947 696 V HN 1.052 nan 8.190 nan 0.000 0.479 697 G N 4.998 113.755 108.800 -0.072 0.000 2.298 697 G HA2 -0.106 3.857 3.960 0.004 0.000 0.309 697 G HA3 -0.106 3.857 3.960 0.004 0.000 0.309 697 G C -0.232 174.691 174.900 0.039 0.000 1.279 697 G CA -0.254 44.818 45.100 -0.046 0.000 1.042 697 G HN 0.477 nan 8.290 nan 0.000 0.480 698 N N 1.346 120.104 118.700 0.096 0.000 2.351 698 N HA 0.439 5.181 4.740 0.004 0.000 0.254 698 N C 1.000 176.626 175.510 0.194 0.000 1.241 698 N CA 1.258 54.429 53.050 0.202 0.000 0.883 698 N CB 1.015 39.591 38.487 0.147 0.000 1.202 698 N HN 1.930 nan 8.380 nan 0.000 0.512 699 G N 0.383 109.241 108.800 0.095 0.000 2.698 699 G HA2 -0.232 3.731 3.960 0.004 0.000 0.233 699 G HA3 -0.232 3.731 3.960 0.004 0.000 0.233 699 G C -0.951 173.909 174.900 -0.068 0.000 1.352 699 G CA -0.403 44.548 45.100 -0.249 0.000 0.879 699 G HN 0.144 nan 8.290 nan 0.000 0.567 700 V N 0.663 120.525 119.914 -0.087 0.000 2.789 700 V HA 0.892 5.014 4.120 0.004 0.000 0.311 700 V C 0.936 177.028 176.094 -0.004 0.000 1.073 700 V CA 1.400 63.745 62.300 0.075 0.000 0.921 700 V CB 1.473 33.462 31.823 0.278 0.000 1.009 700 V HN 2.725 nan 8.190 nan 0.000 0.426 701 G N 4.244 113.045 108.800 0.001 0.000 2.419 701 G HA2 0.313 4.275 3.960 0.004 0.000 0.061 701 G HA3 0.313 4.275 3.960 0.004 0.000 0.061 701 G C -1.040 173.884 174.900 0.039 0.000 0.907 701 G CA 0.375 45.431 45.100 -0.074 0.000 1.174 701 G HN 1.634 nan 8.290 nan 0.000 0.468 702 F N -1.843 117.940 119.950 -0.280 0.000 2.842 702 F HA 0.824 5.353 4.527 0.003 0.000 0.319 702 F C -2.143 173.466 175.800 -0.318 0.000 1.159 702 F CA -1.904 55.977 58.000 -0.197 0.000 0.902 702 F CB 0.822 39.721 39.000 -0.168 0.000 1.311 702 F HN 0.465 nan 8.300 nan 0.000 0.453 703 F N 1.727 121.710 119.950 0.056 0.000 2.546 703 F HA 0.772 5.302 4.527 0.004 0.000 0.320 703 F C -0.733 175.119 175.800 0.086 0.000 1.076 703 F CA -0.944 57.023 58.000 -0.056 0.000 0.928 703 F CB 2.224 41.139 39.000 -0.141 0.000 1.189 703 F HN 0.436 nan 8.300 nan 0.000 0.465 704 L N 4.004 125.366 121.223 0.232 0.000 2.343 704 L HA 0.610 4.952 4.340 0.004 0.000 0.278 704 L C -0.823 176.183 176.870 0.227 0.000 0.996 704 L CA -0.647 54.345 54.840 0.253 0.000 0.831 704 L CB 1.616 43.822 42.059 0.246 0.000 1.232 704 L HN 0.573 nan 8.230 nan 0.000 0.413 705 R N 3.999 124.542 120.500 0.073 0.000 2.599 705 R HA 0.499 4.842 4.340 0.004 0.000 0.295 705 R C -2.676 173.300 176.300 -0.541 0.000 0.963 705 R CA -1.930 54.079 56.100 -0.151 0.000 0.883 705 R CB 1.859 32.071 30.300 -0.148 0.000 1.171 705 R HN 0.283 nan 8.270 nan 0.000 0.450 706 P HA -0.035 nan 4.420 nan 0.000 0.276 706 P C -1.420 175.699 177.300 -0.303 0.000 1.235 706 P CA 0.029 62.512 63.100 -1.028 0.000 0.772 706 P CB 0.586 31.910 31.700 -0.626 0.000 0.871 707 Y N 4.154 124.224 120.300 -0.384 0.000 2.445 707 Y HA 0.230 4.783 4.550 0.004 0.000 0.332 707 Y C 0.381 176.148 175.900 -0.222 0.000 1.037 707 Y CA -0.575 57.352 58.100 -0.289 0.000 1.296 707 Y CB 0.123 38.323 38.460 -0.434 0.000 1.099 707 Y HN 0.433 nan 8.280 nan 0.000 0.496 708 N N 3.486 121.998 118.700 -0.313 0.000 2.741 708 N HA -0.318 4.425 4.740 0.004 0.000 0.251 708 N C 0.644 176.118 175.510 -0.061 0.000 1.112 708 N CA 1.497 54.415 53.050 -0.220 0.000 0.750 708 N CB -1.688 36.564 38.487 -0.392 0.000 1.119 708 N HN 0.730 nan 8.380 nan 0.000 0.561 709 F N 0.072 119.889 119.950 -0.222 0.000 2.293 709 F HA 0.188 4.717 4.527 0.004 0.000 0.297 709 F C 0.763 176.327 175.800 -0.393 0.000 1.089 709 F CA 0.788 58.599 58.000 -0.314 0.000 1.377 709 F CB 0.192 38.901 39.000 -0.484 0.000 1.051 709 F HN -0.037 nan 8.300 nan 0.000 0.511 710 F N 0.224 120.274 119.950 0.167 0.000 2.525 710 F HA 0.275 4.804 4.527 0.004 0.000 0.346 710 F C 1.288 177.113 175.800 0.042 0.000 1.072 710 F CA -0.896 57.157 58.000 0.090 0.000 1.033 710 F CB 0.218 39.321 39.000 0.170 0.000 1.324 710 F HN -0.303 nan 8.300 nan 0.000 0.491 711 D N -0.673 119.890 120.400 0.272 0.000 2.369 711 D HA 0.075 4.718 4.640 0.004 0.000 0.211 711 D C -0.010 176.478 176.300 0.313 0.000 1.077 711 D CA 0.559 54.664 54.000 0.175 0.000 0.842 711 D CB 0.558 41.340 40.800 -0.028 0.000 0.947 711 D HN 0.634 nan 8.370 nan 0.000 0.509 712 Q N -1.096 118.856 119.800 0.253 0.000 2.919 712 Q HA 0.165 4.508 4.340 0.004 0.000 0.323 712 Q C -1.105 174.958 176.000 0.104 0.000 0.829 712 Q CA -0.879 55.032 55.803 0.180 0.000 0.803 712 Q CB 1.087 29.916 28.738 0.151 0.000 1.423 712 Q HN -0.155 nan 8.270 nan 0.000 0.478 713 E N 2.217 122.448 120.200 0.051 0.000 2.480 713 E HA 0.096 4.448 4.350 0.004 0.000 0.258 713 E C -1.779 174.771 176.600 -0.083 0.000 0.984 713 E CA -1.189 55.209 56.400 -0.003 0.000 0.930 713 E CB 0.514 30.221 29.700 0.012 0.000 0.936 713 E HN 0.320 nan 8.360 nan 0.000 0.466 714 P HA 0.013 nan 4.420 nan 0.000 0.272 714 P C -0.574 176.656 177.300 -0.117 0.000 1.223 714 P CA -0.337 62.566 63.100 -0.328 0.000 0.784 714 P CB 1.121 32.405 31.700 -0.693 0.000 0.923 715 S N 1.030 116.672 115.700 -0.096 0.000 2.598 715 S HA 0.394 4.866 4.470 0.004 0.000 0.256 715 S C 0.589 175.174 174.600 -0.025 0.000 1.350 715 S CA -0.153 58.019 58.200 -0.047 0.000 0.984 715 S CB -0.168 63.000 63.200 -0.053 0.000 0.930 715 S HN 0.572 nan 8.310 nan 0.000 0.577 716 M N 0.882 120.478 119.600 -0.006 0.000 2.371 716 M HA 0.674 5.156 4.480 0.004 0.000 0.287 716 M C -1.601 174.705 176.300 0.010 0.000 1.149 716 M CA -0.831 54.480 55.300 0.017 0.000 0.929 716 M CB 2.035 34.673 32.600 0.063 0.000 1.683 716 M HN 0.483 nan 8.290 nan 0.000 0.470 717 D N 0.000 120.404 120.400 0.007 0.000 6.856 717 D HA 0.000 4.642 4.640 0.004 0.000 0.175 717 D CA 0.000 54.007 54.000 0.011 0.000 0.868 717 D CB 0.000 40.792 40.800 -0.014 0.000 0.688 717 D HN 0.000 nan 8.370 nan 0.000 0.683