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 2f1z_1_B DATA FIRST_RESID 63 DATA SEQUENCE TSWRSEATFQ FTVERFSRLS ESVLSPPCFV RNLPWKIMVM PRFYPDRPHQ DATA SEQUENCE KSVGFFLQCN AESDSTSWSC HAQAVLKIIN YRDDEKSFSR RISHLFFHKE DATA SEQUENCE NDWGFSNFMA WSEVTDPEKG FIDDDKVTFE VFVQADAPHG VAWDSKKHTG DATA SEQUENCE YVGLKNQGAT CYMNSLLQTL FFTNQLRKAV YMMPTEGDDS SKSVPLALQR DATA SEQUENCE VFYELQHSDK PVGTKKLTKS FGWETLDSFM QHDVQELCRV LLDNVENKMK DATA SEQUENCE GTCVEGTIPK LFRGKMVSYI QCKEVDYRSD RREDYYDIQL SIKGKKNIFE DATA SEQUENCE SFVDYVAVEQ LDGDNKYDAG EHGLQEAEKG VKFLTLPPVL HLQLMRFMYD DATA SEQUENCE PQTDQNIKIN DRFEFPEQLP LDEFLQKTDP KDPANYILHA VLVHSGDNHG DATA SEQUENCE GHYVVYLNPK GDGKWCKFDD DVVSRCTKEE AIEHNYGXXX XXXXXXXCTN DATA SEQUENCE AYMLVYIRES KLSEVLQAVT DHDIPQQLVE RLQEEKRIEA Q 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 63 T HA 0.000 nan 4.350 nan 0.000 0.228 63 T C 0.000 174.783 174.700 0.138 0.000 1.109 63 T CA 0.000 62.169 62.100 0.115 0.000 1.349 63 T CB 0.000 68.948 68.868 0.133 0.000 0.612 64 S N -1.692 114.142 115.700 0.223 0.000 3.056 64 S HA 0.253 4.723 4.470 -0.000 0.000 0.255 64 S C -0.130 174.630 174.600 0.268 0.000 1.079 64 S CA 0.240 58.561 58.200 0.203 0.000 0.810 64 S CB -0.096 63.215 63.200 0.184 0.000 0.810 64 S HN 0.599 nan 8.310 nan 0.000 0.477 65 W N 5.854 127.232 121.300 0.131 0.000 3.433 65 W HA 0.400 5.060 4.660 -0.000 0.000 0.376 65 W C 0.441 177.072 176.519 0.188 0.000 1.160 65 W CA -0.920 56.544 57.345 0.199 0.000 1.832 65 W CB -0.594 29.017 29.460 0.251 0.000 1.011 65 W HN 0.291 nan 8.180 nan 0.000 0.766 66 R N 0.110 120.799 120.500 0.316 0.000 2.698 66 R HA 0.087 4.426 4.340 -0.000 0.000 0.266 66 R C 1.211 177.623 176.300 0.186 0.000 1.026 66 R CA 0.804 57.033 56.100 0.216 0.000 1.102 66 R CB 0.045 30.439 30.300 0.156 0.000 0.978 66 R HN 0.109 nan 8.270 nan 0.000 0.436 67 S N 0.242 116.031 115.700 0.148 0.000 2.561 67 S HA -0.088 4.382 4.470 -0.000 0.000 0.225 67 S C 0.036 174.653 174.600 0.028 0.000 0.977 67 S CA 0.468 58.728 58.200 0.100 0.000 0.926 67 S CB -0.600 62.656 63.200 0.094 0.000 0.769 67 S HN 0.823 nan 8.310 nan 0.000 0.533 68 E N -0.860 119.364 120.200 0.040 0.000 2.388 68 E HA 0.727 5.077 4.350 -0.000 0.000 0.281 68 E C -1.321 175.326 176.600 0.078 0.000 1.046 68 E CA -1.231 55.173 56.400 0.006 0.000 0.825 68 E CB 1.052 30.813 29.700 0.102 0.000 1.243 68 E HN 0.251 nan 8.360 nan 0.000 0.438 69 A N 1.103 123.966 122.820 0.073 0.000 2.608 69 A HA 0.727 5.047 4.320 -0.000 0.000 0.292 69 A C -1.211 176.558 177.584 0.307 0.000 1.066 69 A CA -0.705 51.437 52.037 0.175 0.000 0.676 69 A CB 2.215 21.272 19.000 0.094 0.000 1.277 69 A HN 0.450 nan 8.150 nan 0.000 0.413 70 T N 1.734 116.486 114.554 0.330 0.000 2.792 70 T HA 0.718 5.068 4.350 -0.000 0.000 0.280 70 T C -0.906 174.016 174.700 0.370 0.000 0.990 70 T CA -0.023 62.274 62.100 0.329 0.000 0.960 70 T CB 0.194 69.192 68.868 0.217 0.000 0.939 70 T HN 1.044 nan 8.240 nan 0.000 0.439 71 F N 0.551 120.567 119.950 0.109 0.000 2.613 71 F HA 0.749 5.276 4.527 -0.000 0.000 0.310 71 F C -0.781 175.104 175.800 0.141 0.000 1.085 71 F CA -1.332 56.733 58.000 0.107 0.000 0.945 71 F CB 1.476 40.526 39.000 0.084 0.000 1.298 71 F HN 0.294 nan 8.300 nan 0.000 0.455 72 Q N 1.793 121.758 119.800 0.275 0.000 2.248 72 Q HA 0.617 4.957 4.340 -0.000 0.000 0.263 72 Q C -1.995 174.206 176.000 0.335 0.000 1.007 72 Q CA -1.017 54.911 55.803 0.208 0.000 0.877 72 Q CB 3.078 31.921 28.738 0.175 0.000 1.315 72 Q HN 0.683 nan 8.270 nan 0.000 0.454 73 F N 0.559 120.555 119.950 0.076 0.000 2.689 73 F HA 0.345 4.872 4.527 -0.000 0.000 0.332 73 F C -1.451 174.346 175.800 -0.005 0.000 1.209 73 F CA -0.391 57.621 58.000 0.021 0.000 1.028 73 F CB 1.516 40.490 39.000 -0.044 0.000 1.291 73 F HN 0.346 nan 8.300 nan 0.000 0.500 74 T N 5.639 119.986 114.554 -0.344 0.000 2.824 74 T HA 0.629 4.979 4.350 -0.000 0.000 0.280 74 T C -0.778 173.476 174.700 -0.743 0.000 0.995 74 T CA -0.584 61.291 62.100 -0.374 0.000 1.009 74 T CB 1.782 70.593 68.868 -0.096 0.000 0.955 74 T HN 0.330 nan 8.240 nan 0.000 0.452 75 V N 3.763 123.289 119.914 -0.645 0.000 2.394 75 V HA 0.350 4.470 4.120 -0.000 0.000 0.282 75 V C 0.290 176.230 176.094 -0.256 0.000 1.031 75 V CA -0.747 61.181 62.300 -0.621 0.000 0.881 75 V CB 1.214 32.550 31.823 -0.813 0.000 0.982 75 V HN 0.845 nan 8.190 nan 0.000 0.451 76 E N 3.249 123.351 120.200 -0.164 0.000 2.227 76 E HA 0.529 4.879 4.350 -0.000 0.000 0.268 76 E C 0.139 176.756 176.600 0.029 0.000 0.990 76 E CA -1.011 55.372 56.400 -0.029 0.000 0.856 76 E CB 1.137 30.825 29.700 -0.020 0.000 1.159 76 E HN 0.544 nan 8.360 nan 0.000 0.401 77 R N 1.709 122.264 120.500 0.092 0.000 3.127 77 R HA -0.236 4.103 4.340 -0.000 0.000 0.247 77 R C -0.613 175.818 176.300 0.218 0.000 0.896 77 R CA -0.013 56.166 56.100 0.131 0.000 0.624 77 R CB -1.529 28.825 30.300 0.089 0.000 1.154 77 R HN 0.806 nan 8.270 nan 0.000 0.474 78 F N 0.701 120.695 119.950 0.072 0.000 2.059 78 F HA -0.226 4.301 4.527 -0.000 0.000 0.289 78 F C 2.513 178.434 175.800 0.202 0.000 1.128 78 F CA 1.120 59.180 58.000 0.100 0.000 1.181 78 F CB -0.291 38.736 39.000 0.046 0.000 1.012 78 F HN 0.570 nan 8.300 nan 0.000 0.473 79 S N 1.558 117.471 115.700 0.356 0.000 2.502 79 S HA -0.384 4.086 4.470 -0.000 0.000 0.288 79 S C 1.272 176.069 174.600 0.329 0.000 1.186 79 S CA 2.009 60.377 58.200 0.281 0.000 1.182 79 S CB -1.505 61.818 63.200 0.205 0.000 1.135 79 S HN 0.575 nan 8.310 nan 0.000 0.442 80 R N 1.366 122.033 120.500 0.278 0.000 3.298 80 R HA 0.425 4.765 4.340 -0.000 0.000 0.249 80 R C -0.018 176.421 176.300 0.232 0.000 1.563 80 R CA -0.358 55.864 56.100 0.204 0.000 1.378 80 R CB -0.727 29.662 30.300 0.148 0.000 1.250 80 R HN 0.344 nan 8.270 nan 0.000 0.580 81 L N 0.864 122.314 121.223 0.379 0.000 2.476 81 L HA 0.039 4.379 4.340 -0.000 0.000 0.255 81 L C 1.074 178.057 176.870 0.188 0.000 1.218 81 L CA 0.905 55.965 54.840 0.365 0.000 0.819 81 L CB 1.379 43.861 42.059 0.704 0.000 1.119 81 L HN 0.312 nan 8.230 nan 0.000 0.485 82 S N -1.546 114.242 115.700 0.146 0.000 2.462 82 S HA 0.242 4.711 4.470 -0.000 0.000 0.269 82 S C -0.105 174.540 174.600 0.074 0.000 1.005 82 S CA -0.103 58.144 58.200 0.078 0.000 1.260 82 S CB 0.031 63.266 63.200 0.058 0.000 0.990 82 S HN 0.681 nan 8.310 nan 0.000 0.477 83 E N 1.681 121.928 120.200 0.078 0.000 2.440 83 E HA 0.708 5.058 4.350 -0.000 0.000 0.263 83 E C -1.191 175.444 176.600 0.059 0.000 0.938 83 E CA -1.102 55.333 56.400 0.058 0.000 0.831 83 E CB 1.042 30.763 29.700 0.035 0.000 1.456 83 E HN 0.201 nan 8.360 nan 0.000 0.427 84 S N 0.107 115.827 115.700 0.033 0.000 2.545 84 S HA 0.449 4.919 4.470 -0.000 0.000 0.275 84 S C 0.171 174.772 174.600 0.002 0.000 1.299 84 S CA -0.888 57.321 58.200 0.016 0.000 1.048 84 S CB 0.862 64.051 63.200 -0.018 0.000 0.938 84 S HN 0.593 nan 8.310 nan 0.000 0.496 85 V N 1.518 121.436 119.914 0.006 0.000 2.376 85 V HA 0.495 4.615 4.120 -0.000 0.000 0.287 85 V C -0.224 175.880 176.094 0.017 0.000 1.015 85 V CA -1.029 61.294 62.300 0.038 0.000 0.834 85 V CB 0.727 32.604 31.823 0.090 0.000 1.001 85 V HN 0.778 nan 8.190 nan 0.000 0.428 86 L N 4.070 125.232 121.223 -0.102 0.000 2.453 86 L HA 0.574 4.914 4.340 -0.000 0.000 0.261 86 L C 0.994 177.482 176.870 -0.636 0.000 1.179 86 L CA 0.865 55.549 54.840 -0.261 0.000 0.813 86 L CB 1.940 43.887 42.059 -0.187 0.000 1.110 86 L HN 1.125 nan 8.230 nan 0.000 0.466 87 S N 2.670 117.793 115.700 -0.962 0.000 2.767 87 S HA 0.708 5.178 4.470 -0.000 0.000 0.300 87 S C -2.631 171.655 174.600 -0.523 0.000 1.123 87 S CA -1.259 56.083 58.200 -1.430 0.000 0.992 87 S CB 1.611 63.779 63.200 -1.721 0.000 1.138 87 S HN 0.493 nan 8.310 nan 0.000 0.550 88 P HA 0.350 nan 4.420 nan 0.000 0.274 88 P C -2.585 174.620 177.300 -0.157 0.000 1.231 88 P CA -1.309 61.701 63.100 -0.151 0.000 0.790 88 P CB -0.169 31.501 31.700 -0.050 0.000 0.951 89 P HA 0.115 nan 4.420 nan 0.000 0.274 89 P C -0.626 176.454 177.300 -0.368 0.000 1.256 89 P CA -0.116 62.790 63.100 -0.323 0.000 0.795 89 P CB 0.813 32.266 31.700 -0.411 0.000 1.038 90 C N 1.394 120.318 119.300 -0.627 0.000 2.797 90 C HA 0.703 5.162 4.460 -0.000 0.000 0.306 90 C C -1.176 173.549 174.990 -0.441 0.000 1.207 90 C CA -0.557 58.138 59.018 -0.540 0.000 1.507 90 C CB 0.244 27.268 27.740 -1.193 0.000 2.028 90 C HN 0.431 nan 8.230 nan 0.000 0.475 91 F N 3.579 123.451 119.950 -0.130 0.000 2.458 91 F HA 0.729 5.256 4.527 -0.000 0.000 0.336 91 F C 0.148 175.989 175.800 0.067 0.000 1.114 91 F CA -0.368 57.629 58.000 -0.005 0.000 0.987 91 F CB 1.989 40.946 39.000 -0.071 0.000 1.130 91 F HN 0.356 nan 8.300 nan 0.000 0.458 92 V N 3.658 123.809 119.914 0.395 0.000 2.808 92 V HA 0.470 4.589 4.120 -0.000 0.000 0.308 92 V C -0.277 176.064 176.094 0.413 0.000 1.099 92 V CA -1.338 61.137 62.300 0.292 0.000 0.920 92 V CB 1.916 33.665 31.823 -0.123 0.000 1.014 92 V HN 0.645 nan 8.190 nan 0.000 0.425 93 R N 2.503 123.158 120.500 0.257 0.000 3.627 93 R HA -0.200 4.140 4.340 -0.000 0.000 0.281 93 R C 0.489 176.735 176.300 -0.090 0.000 1.140 93 R CA 0.991 57.210 56.100 0.199 0.000 0.761 93 R CB -2.478 27.944 30.300 0.204 0.000 1.181 93 R HN 1.204 nan 8.270 nan 0.000 0.472 94 N N -0.553 118.034 118.700 -0.188 0.000 2.671 94 N HA -0.216 4.524 4.740 -0.000 0.000 0.261 94 N C -1.217 174.183 175.510 -0.184 0.000 1.053 94 N CA 1.359 54.161 53.050 -0.413 0.000 0.732 94 N CB -0.438 37.183 38.487 -1.444 0.000 0.887 94 N HN 0.508 nan 8.380 nan 0.000 0.546 95 L N 0.469 121.691 121.223 -0.003 0.000 2.506 95 L HA 0.588 4.927 4.340 -0.000 0.000 0.257 95 L C -2.414 174.018 176.870 -0.731 0.000 0.964 95 L CA -1.644 52.966 54.840 -0.383 0.000 0.836 95 L CB 2.756 44.440 42.059 -0.625 0.000 1.384 95 L HN 0.018 nan 8.230 nan 0.000 0.410 96 P HA 0.170 nan 4.420 nan 0.000 0.291 96 P C -1.648 175.185 177.300 -0.777 0.000 1.340 96 P CA -0.329 62.080 63.100 -1.152 0.000 0.799 96 P CB 0.155 31.325 31.700 -0.884 0.000 0.917 97 W N 4.499 125.432 121.300 -0.612 0.000 2.376 97 W HA 0.465 5.125 4.660 -0.000 0.000 0.312 97 W C 0.436 176.776 176.519 -0.298 0.000 1.060 97 W CA -0.365 56.768 57.345 -0.354 0.000 1.221 97 W CB 1.687 30.982 29.460 -0.276 0.000 1.281 97 W HN 0.160 nan 8.180 nan 0.000 0.456 98 K N 2.805 123.282 120.400 0.128 0.000 2.400 98 K HA 0.681 5.001 4.320 -0.000 0.000 0.246 98 K C -0.878 175.897 176.600 0.291 0.000 0.995 98 K CA -1.074 55.301 56.287 0.147 0.000 0.840 98 K CB 2.415 34.878 32.500 -0.061 0.000 1.293 98 K HN 0.313 nan 8.250 nan 0.000 0.445 99 I N 2.013 122.720 120.570 0.229 0.000 2.359 99 I HA 0.279 4.449 4.170 -0.000 0.000 0.294 99 I C -0.367 175.807 176.117 0.096 0.000 0.987 99 I CA -0.438 60.985 61.300 0.205 0.000 1.225 99 I CB 1.125 39.255 38.000 0.217 0.000 1.366 99 I HN 0.364 nan 8.210 nan 0.000 0.466 100 M N 6.526 126.260 119.600 0.223 0.000 2.167 100 M HA 0.427 4.907 4.480 -0.000 0.000 0.333 100 M C -1.304 175.141 176.300 0.242 0.000 1.030 100 M CA -0.720 54.676 55.300 0.160 0.000 0.963 100 M CB 1.808 34.478 32.600 0.116 0.000 1.589 100 M HN 0.224 nan 8.290 nan 0.000 0.431 101 V N 5.678 125.631 119.914 0.065 0.000 2.350 101 V HA 0.481 4.601 4.120 -0.000 0.000 0.285 101 V C -0.557 175.579 176.094 0.070 0.000 1.014 101 V CA -0.461 61.831 62.300 -0.014 0.000 0.831 101 V CB 1.630 33.156 31.823 -0.494 0.000 1.000 101 V HN 0.913 nan 8.190 nan 0.000 0.433 102 M N 8.922 128.654 119.600 0.221 0.000 2.151 102 M HA 0.548 5.028 4.480 -0.000 0.000 0.290 102 M C -2.722 173.774 176.300 0.326 0.000 0.965 102 M CA -1.898 53.529 55.300 0.211 0.000 0.930 102 M CB 2.740 35.426 32.600 0.142 0.000 1.560 102 M HN 0.367 nan 8.290 nan 0.000 0.438 103 P HA 0.149 nan 4.420 nan 0.000 0.271 103 P C -1.233 176.260 177.300 0.320 0.000 1.233 103 P CA -0.119 63.312 63.100 0.551 0.000 0.789 103 P CB 0.650 32.737 31.700 0.644 0.000 0.951 104 R N 1.544 122.196 120.500 0.252 0.000 2.510 104 R HA 0.255 4.595 4.340 -0.000 0.000 0.294 104 R C -0.023 176.269 176.300 -0.012 0.000 1.056 104 R CA -0.994 55.193 56.100 0.145 0.000 0.918 104 R CB 0.186 30.555 30.300 0.116 0.000 1.187 104 R HN 0.620 nan 8.270 nan 0.000 0.437 105 F N 2.147 122.099 119.950 0.003 0.000 2.137 105 F HA -0.217 4.310 4.527 -0.000 0.000 0.195 105 F C -0.931 174.853 175.800 -0.027 0.000 0.661 105 F CA 0.336 58.324 58.000 -0.021 0.000 0.878 105 F CB 0.060 39.081 39.000 0.036 0.000 0.820 105 F HN 0.534 nan 8.300 nan 0.000 0.662 106 Y N 4.168 124.732 120.300 0.439 0.000 2.332 106 Y HA 0.235 4.785 4.550 -0.000 0.000 0.326 106 Y C -1.470 174.725 175.900 0.491 0.000 0.978 106 Y CA -2.295 55.988 58.100 0.305 0.000 1.205 106 Y CB 1.691 40.221 38.460 0.116 0.000 1.131 106 Y HN 0.444 nan 8.280 nan 0.000 0.462 107 P HA -0.147 nan 4.420 nan 0.000 0.218 107 P C -0.053 177.341 177.300 0.157 0.000 1.148 107 P CA 1.523 64.854 63.100 0.385 0.000 0.822 107 P CB 0.790 32.786 31.700 0.494 0.000 0.784 108 D N -0.388 120.088 120.400 0.126 0.000 2.306 108 D HA 0.068 4.708 4.640 -0.000 0.000 0.282 108 D C 0.830 177.128 176.300 -0.004 0.000 1.195 108 D CA 0.208 54.213 54.000 0.009 0.000 0.955 108 D CB -0.848 39.909 40.800 -0.071 0.000 0.921 108 D HN -0.133 nan 8.370 nan 0.000 0.269 109 R N 1.417 121.869 120.500 -0.081 0.000 2.490 109 R HA 0.273 4.613 4.340 -0.000 0.000 0.280 109 R C -2.312 174.018 176.300 0.050 0.000 1.077 109 R CA -1.348 54.730 56.100 -0.037 0.000 1.065 109 R CB 0.359 30.614 30.300 -0.075 0.000 1.003 109 R HN 0.136 nan 8.270 nan 0.000 0.470 110 P HA 0.117 nan 4.420 nan 0.000 0.281 110 P C -0.944 176.485 177.300 0.214 0.000 1.286 110 P CA 0.431 63.626 63.100 0.157 0.000 0.772 110 P CB 0.633 32.383 31.700 0.084 0.000 0.862 111 H N 2.515 121.663 119.070 0.130 0.000 4.562 111 H HA 0.001 4.557 4.556 -0.000 0.000 0.326 111 H C -0.280 174.859 175.328 -0.315 0.000 1.128 111 H CA -0.058 55.969 56.048 -0.035 0.000 1.303 111 H CB -0.026 29.751 29.762 0.025 0.000 3.501 111 H HN 0.408 nan 8.280 nan 0.000 0.551 112 Q N 0.215 119.662 119.800 -0.589 0.000 0.547 112 Q HA -0.278 4.062 4.340 -0.000 0.000 0.357 112 Q C 0.665 176.117 176.000 -0.914 0.000 1.078 112 Q CA 1.992 57.314 55.803 -0.803 0.000 0.304 112 Q CB -0.535 27.218 28.738 -1.642 0.000 5.529 112 Q HN 0.595 nan 8.270 nan 0.000 0.345 113 K N -2.995 117.029 120.400 -0.627 0.000 2.639 113 K HA 0.213 4.533 4.320 -0.000 0.000 0.155 113 K C -0.675 175.912 176.600 -0.020 0.000 2.086 113 K CA 0.709 56.641 56.287 -0.591 0.000 1.353 113 K CB 0.666 32.560 32.500 -1.010 0.000 2.331 113 K HN 0.377 nan 8.250 nan 0.000 0.554 114 S N 0.469 116.222 115.700 0.088 0.000 2.599 114 S HA 0.563 5.033 4.470 -0.000 0.000 0.287 114 S C -1.281 173.559 174.600 0.400 0.000 1.105 114 S CA -0.647 57.682 58.200 0.216 0.000 0.899 114 S CB 2.417 65.663 63.200 0.078 0.000 1.100 114 S HN 0.087 nan 8.310 nan 0.000 0.482 115 V N 2.458 122.558 119.914 0.311 0.000 2.350 115 V HA 0.550 4.670 4.120 -0.000 0.000 0.276 115 V C 1.010 177.334 176.094 0.382 0.000 1.028 115 V CA -0.544 61.957 62.300 0.335 0.000 0.860 115 V CB 0.771 32.694 31.823 0.166 0.000 0.990 115 V HN 0.973 nan 8.190 nan 0.000 0.453 116 G N 3.276 112.332 108.800 0.427 0.000 2.634 116 G HA2 0.467 4.427 3.960 -0.000 0.000 0.255 116 G HA3 0.467 4.427 3.960 -0.000 0.000 0.255 116 G C -1.010 174.232 174.900 0.571 0.000 1.205 116 G CA 0.076 45.492 45.100 0.526 0.000 0.884 116 G HN 0.578 nan 8.290 nan 0.000 0.549 117 F N 0.462 120.575 119.950 0.272 0.000 2.922 117 F HA 0.473 5.000 4.527 -0.000 0.000 0.341 117 F C -2.042 173.742 175.800 -0.026 0.000 1.140 117 F CA -1.952 56.128 58.000 0.133 0.000 1.203 117 F CB 0.130 38.960 39.000 -0.283 0.000 1.491 117 F HN 0.338 nan 8.300 nan 0.000 0.670 118 F N 4.564 124.627 119.950 0.190 0.000 2.764 118 F HA 0.779 5.306 4.527 -0.000 0.000 0.347 118 F C -1.141 174.696 175.800 0.062 0.000 1.151 118 F CA -1.347 56.666 58.000 0.022 0.000 1.021 118 F CB 1.463 40.498 39.000 0.060 0.000 1.438 118 F HN 0.270 nan 8.300 nan 0.000 0.516 119 L N 1.589 123.043 121.223 0.386 0.000 2.427 119 L HA 0.442 4.782 4.340 -0.000 0.000 0.264 119 L C -0.749 176.433 176.870 0.520 0.000 0.989 119 L CA -0.206 54.870 54.840 0.394 0.000 0.865 119 L CB 1.261 43.541 42.059 0.367 0.000 1.209 119 L HN 0.657 nan 8.230 nan 0.000 0.430 120 Q N 3.799 123.815 119.800 0.360 0.000 2.288 120 Q HA 0.347 4.687 4.340 -0.000 0.000 0.254 120 Q C -1.248 174.846 176.000 0.157 0.000 0.932 120 Q CA -0.313 55.649 55.803 0.265 0.000 0.902 120 Q CB 1.374 30.177 28.738 0.108 0.000 1.203 120 Q HN 0.764 nan 8.270 nan 0.000 0.415 121 C N 5.830 125.200 119.300 0.118 0.000 2.386 121 C HA 0.390 4.850 4.460 -0.000 0.000 0.318 121 C C -0.395 174.395 174.990 -0.333 0.000 1.128 121 C CA -0.323 58.498 59.018 -0.327 0.000 1.438 121 C CB -1.071 26.359 27.740 -0.515 0.000 1.987 121 C HN 1.165 nan 8.230 nan 0.000 0.426 122 N N 3.216 121.573 118.700 -0.572 0.000 2.714 122 N HA -0.204 4.536 4.740 -0.000 0.000 0.253 122 N C 0.821 176.113 175.510 -0.364 0.000 1.024 122 N CA 1.001 53.676 53.050 -0.625 0.000 0.726 122 N CB -0.721 37.105 38.487 -1.102 0.000 0.908 122 N HN 0.883 nan 8.380 nan 0.000 0.542 123 A N 0.477 123.184 122.820 -0.189 0.000 1.877 123 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 123 A C 1.812 179.349 177.584 -0.078 0.000 1.186 123 A CA 1.798 53.795 52.037 -0.066 0.000 0.620 123 A CB -0.384 18.586 19.000 -0.050 0.000 0.822 123 A HN 0.718 nan 8.150 nan 0.000 0.443 124 E N 0.437 120.563 120.200 -0.124 0.000 2.209 124 E HA -0.074 4.276 4.350 -0.000 0.000 0.196 124 E C 0.959 177.496 176.600 -0.106 0.000 0.993 124 E CA 0.562 56.900 56.400 -0.103 0.000 0.819 124 E CB -0.226 29.408 29.700 -0.110 0.000 0.745 124 E HN 0.442 nan 8.360 nan 0.000 0.477 125 S N 1.078 116.675 115.700 -0.172 0.000 2.552 125 S HA -0.064 4.405 4.470 -0.000 0.000 0.289 125 S C 0.463 175.015 174.600 -0.079 0.000 1.304 125 S CA -0.315 57.777 58.200 -0.181 0.000 1.063 125 S CB 0.479 63.456 63.200 -0.371 0.000 0.848 125 S HN 0.063 nan 8.310 nan 0.000 0.499 126 D N 2.644 123.011 120.400 -0.055 0.000 2.328 126 D HA 0.080 4.720 4.640 -0.000 0.000 0.221 126 D C 0.392 176.694 176.300 0.004 0.000 1.072 126 D CA 0.179 54.173 54.000 -0.010 0.000 0.850 126 D CB 0.275 41.066 40.800 -0.014 0.000 0.922 126 D HN 0.409 nan 8.370 nan 0.000 0.516 127 S N 0.155 115.861 115.700 0.009 0.000 2.580 127 S HA 0.168 4.638 4.470 -0.000 0.000 0.274 127 S C 1.526 176.195 174.600 0.114 0.000 1.329 127 S CA -0.178 58.062 58.200 0.068 0.000 1.036 127 S CB 1.225 64.478 63.200 0.089 0.000 0.919 127 S HN 0.267 nan 8.310 nan 0.000 0.515 128 T N -0.228 114.294 114.554 -0.053 0.000 3.018 128 T HA 0.138 4.488 4.350 -0.000 0.000 0.246 128 T C 0.599 175.144 174.700 -0.259 0.000 1.026 128 T CA 0.299 62.114 62.100 -0.475 0.000 1.081 128 T CB -0.434 68.220 68.868 -0.358 0.000 0.970 128 T HN 0.569 nan 8.240 nan 0.000 0.475 129 S N 3.120 118.816 115.700 -0.007 0.000 3.363 129 S HA 0.509 4.978 4.470 -0.000 0.000 0.267 129 S C -0.535 174.185 174.600 0.201 0.000 1.288 129 S CA -1.123 57.106 58.200 0.048 0.000 0.948 129 S CB -1.198 62.036 63.200 0.057 0.000 1.397 129 S HN 0.753 nan 8.310 nan 0.000 0.493 130 W N 0.340 121.649 121.300 0.015 0.000 3.953 130 W HA 0.529 5.189 4.660 -0.000 0.000 0.286 130 W C -1.902 174.645 176.519 0.046 0.000 1.256 130 W CA -0.898 56.466 57.345 0.032 0.000 1.244 130 W CB 0.190 29.652 29.460 0.005 0.000 1.262 130 W HN 0.525 nan 8.180 nan 0.000 0.522 131 S N 2.257 118.016 115.700 0.099 0.000 2.546 131 S HA 0.682 5.152 4.470 -0.000 0.000 0.272 131 S C -1.328 173.349 174.600 0.127 0.000 1.140 131 S CA -0.645 57.468 58.200 -0.145 0.000 0.920 131 S CB 1.790 64.731 63.200 -0.432 0.000 1.083 131 S HN 0.916 nan 8.310 nan 0.000 0.476 132 C N 4.030 123.425 119.300 0.158 0.000 2.547 132 C HA 0.717 5.177 4.460 -0.000 0.000 0.313 132 C C -0.928 174.208 174.990 0.243 0.000 1.191 132 C CA -0.286 58.871 59.018 0.231 0.000 1.474 132 C CB 0.950 28.851 27.740 0.268 0.000 2.081 132 C HN 1.117 nan 8.230 nan 0.000 0.476 133 H N 3.381 122.521 119.070 0.117 0.000 2.469 133 H HA 0.789 5.344 4.556 -0.000 0.000 0.342 133 H C -0.637 174.766 175.328 0.126 0.000 1.115 133 H CA 0.353 56.463 56.048 0.104 0.000 1.204 133 H CB 1.859 31.617 29.762 -0.008 0.000 1.492 133 H HN 1.040 nan 8.280 nan 0.000 0.499 134 A N 4.843 127.645 122.820 -0.030 0.000 2.594 134 A HA 0.401 4.721 4.320 -0.000 0.000 0.295 134 A C -0.955 176.596 177.584 -0.055 0.000 1.071 134 A CA -0.859 51.180 52.037 0.003 0.000 0.685 134 A CB 2.048 20.947 19.000 -0.168 0.000 1.285 134 A HN 0.687 nan 8.150 nan 0.000 0.405 135 Q N -0.266 119.489 119.800 -0.074 0.000 2.199 135 Q HA 0.838 5.178 4.340 -0.000 0.000 0.205 135 Q C -0.109 175.783 176.000 -0.179 0.000 1.001 135 Q CA -0.046 55.718 55.803 -0.065 0.000 1.019 135 Q CB 1.935 30.640 28.738 -0.054 0.000 1.132 135 Q HN 1.753 nan 8.270 nan 0.000 0.530 136 A N -0.614 122.116 122.820 -0.151 0.000 2.481 136 A HA 0.470 4.790 4.320 -0.000 0.000 0.295 136 A C -1.828 175.722 177.584 -0.057 0.000 0.986 136 A CA -0.546 51.366 52.037 -0.208 0.000 0.617 136 A CB 0.687 19.598 19.000 -0.148 0.000 1.364 136 A HN 0.264 nan 8.150 nan 0.000 0.452 137 V N 1.060 120.954 119.914 -0.034 0.000 2.462 137 V HA 0.432 4.552 4.120 -0.000 0.000 0.288 137 V C -1.184 174.903 176.094 -0.011 0.000 1.020 137 V CA -0.242 62.091 62.300 0.055 0.000 0.857 137 V CB 1.162 33.089 31.823 0.174 0.000 1.013 137 V HN 0.699 nan 8.190 nan 0.000 0.431 138 L N 5.385 126.549 121.223 -0.098 0.000 2.281 138 L HA 0.564 4.904 4.340 -0.000 0.000 0.285 138 L C 0.096 176.970 176.870 0.007 0.000 1.074 138 L CA 0.535 55.159 54.840 -0.360 0.000 0.817 138 L CB 0.810 42.148 42.059 -1.202 0.000 1.168 138 L HN 0.608 nan 8.230 nan 0.000 0.434 139 K N 4.353 124.865 120.400 0.186 0.000 2.464 139 K HA 0.647 4.967 4.320 -0.000 0.000 0.253 139 K C -1.470 175.094 176.600 -0.060 0.000 0.933 139 K CA -0.587 55.774 56.287 0.123 0.000 0.801 139 K CB 1.727 34.271 32.500 0.073 0.000 1.271 139 K HN 0.492 nan 8.250 nan 0.000 0.430 140 I N 5.164 125.600 120.570 -0.224 0.000 2.378 140 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 140 I C -0.046 175.831 176.117 -0.399 0.000 0.992 140 I CA -0.989 59.962 61.300 -0.581 0.000 1.154 140 I CB 1.582 39.045 38.000 -0.895 0.000 1.315 140 I HN 0.529 nan 8.210 nan 0.000 0.448 141 I N 5.803 126.213 120.570 -0.268 0.000 2.532 141 I HA 0.146 4.316 4.170 -0.000 0.000 0.292 141 I C 0.525 176.605 176.117 -0.062 0.000 1.014 141 I CA -0.204 61.056 61.300 -0.068 0.000 1.340 141 I CB 0.772 38.816 38.000 0.073 0.000 1.422 141 I HN 0.627 nan 8.210 nan 0.000 0.528 142 N N 4.368 123.151 118.700 0.137 0.000 2.455 142 N HA 0.174 4.914 4.740 -0.000 0.000 0.280 142 N C -0.229 175.415 175.510 0.224 0.000 1.055 142 N CA -0.464 52.707 53.050 0.203 0.000 0.961 142 N CB 0.698 39.318 38.487 0.222 0.000 1.121 142 N HN 0.580 nan 8.380 nan 0.000 0.476 143 Y N 2.157 122.525 120.300 0.112 0.000 2.470 143 Y HA 0.140 4.689 4.550 -0.000 0.000 0.302 143 Y C 1.841 177.761 175.900 0.033 0.000 1.194 143 Y CA -0.351 57.785 58.100 0.059 0.000 1.271 143 Y CB 0.431 38.922 38.460 0.052 0.000 1.092 143 Y HN 0.512 nan 8.280 nan 0.000 0.513 144 R N -0.346 120.246 120.500 0.154 0.000 2.383 144 R HA 0.081 4.421 4.340 -0.000 0.000 0.205 144 R C -0.725 175.610 176.300 0.057 0.000 0.875 144 R CA 0.336 56.481 56.100 0.075 0.000 1.039 144 R CB 0.876 31.186 30.300 0.017 0.000 1.267 144 R HN 0.162 nan 8.270 nan 0.000 0.635 145 D N -0.381 120.060 120.400 0.068 0.000 2.795 145 D HA -0.032 4.608 4.640 -0.000 0.000 0.206 145 D C -0.388 175.957 176.300 0.076 0.000 1.278 145 D CA -0.316 53.717 54.000 0.056 0.000 0.839 145 D CB 1.269 42.086 40.800 0.028 0.000 1.700 145 D HN 0.043 nan 8.370 nan 0.000 0.549 146 D N 2.082 122.525 120.400 0.073 0.000 2.178 146 D HA -0.173 4.467 4.640 -0.000 0.000 0.201 146 D C 1.011 177.354 176.300 0.071 0.000 0.980 146 D CA 0.927 54.973 54.000 0.077 0.000 0.842 146 D CB 0.249 41.085 40.800 0.060 0.000 0.948 146 D HN 0.315 nan 8.370 nan 0.000 0.472 147 E N -0.082 120.151 120.200 0.054 0.000 2.482 147 E HA -0.063 4.287 4.350 -0.000 0.000 0.196 147 E C 1.128 177.761 176.600 0.056 0.000 1.047 147 E CA 0.335 56.764 56.400 0.048 0.000 0.869 147 E CB 0.058 29.776 29.700 0.029 0.000 0.836 147 E HN 0.460 nan 8.360 nan 0.000 0.520 148 K N 0.547 120.988 120.400 0.068 0.000 2.440 148 K HA 0.128 4.447 4.320 -0.000 0.000 0.206 148 K C -0.220 176.490 176.600 0.184 0.000 1.025 148 K CA -0.001 56.328 56.287 0.070 0.000 1.135 148 K CB 0.465 32.968 32.500 0.006 0.000 0.856 148 K HN -0.199 nan 8.250 nan 0.000 0.502 149 S N 1.567 117.383 115.700 0.195 0.000 2.439 149 S HA 0.140 4.610 4.470 -0.000 0.000 0.282 149 S C -0.647 174.105 174.600 0.253 0.000 1.170 149 S CA -0.614 57.730 58.200 0.240 0.000 1.054 149 S CB 0.085 63.361 63.200 0.128 0.000 0.956 149 S HN 0.229 nan 8.310 nan 0.000 0.490 150 F N 4.727 124.718 119.950 0.069 0.000 2.538 150 F HA 0.391 4.918 4.527 -0.000 0.000 0.371 150 F C 0.428 176.236 175.800 0.014 0.000 1.087 150 F CA -0.897 57.096 58.000 -0.010 0.000 1.250 150 F CB -0.109 38.846 39.000 -0.074 0.000 1.110 150 F HN 0.499 nan 8.300 nan 0.000 0.570 151 S N 6.491 122.237 115.700 0.076 0.000 2.626 151 S HA 0.658 5.128 4.470 -0.000 0.000 0.275 151 S C -0.840 173.707 174.600 -0.089 0.000 1.175 151 S CA -1.225 56.949 58.200 -0.043 0.000 0.982 151 S CB 1.597 64.844 63.200 0.077 0.000 1.093 151 S HN 0.748 nan 8.310 nan 0.000 0.472 152 R N 1.395 121.804 120.500 -0.151 0.000 2.705 152 R HA 0.709 5.049 4.340 -0.000 0.000 0.246 152 R C -0.128 176.214 176.300 0.069 0.000 1.142 152 R CA -1.143 54.871 56.100 -0.144 0.000 1.114 152 R CB 0.890 30.835 30.300 -0.591 0.000 1.256 152 R HN 0.620 nan 8.270 nan 0.000 0.536 153 R N 0.591 121.184 120.500 0.155 0.000 2.854 153 R HA 0.611 4.951 4.340 -0.000 0.000 0.271 153 R C -0.642 175.814 176.300 0.261 0.000 0.994 153 R CA -0.862 55.348 56.100 0.184 0.000 0.945 153 R CB 1.756 32.137 30.300 0.136 0.000 1.194 153 R HN 0.602 nan 8.270 nan 0.000 0.476 154 I N -2.753 117.925 120.570 0.180 0.000 2.827 154 I HA 0.585 4.755 4.170 -0.000 0.000 0.298 154 I C -0.891 175.301 176.117 0.126 0.000 1.235 154 I CA -0.711 60.695 61.300 0.177 0.000 1.021 154 I CB 2.522 40.641 38.000 0.199 0.000 1.259 154 I HN 0.457 nan 8.210 nan 0.000 0.427 155 S N 3.100 118.859 115.700 0.098 0.000 2.568 155 S HA 0.724 5.194 4.470 -0.000 0.000 0.293 155 S C -1.165 173.364 174.600 -0.117 0.000 1.089 155 S CA -0.226 57.974 58.200 -0.000 0.000 0.945 155 S CB 1.264 64.491 63.200 0.044 0.000 1.077 155 S HN 1.000 nan 8.310 nan 0.000 0.485 156 H N 1.701 120.470 119.070 -0.503 0.000 2.938 156 H HA 0.239 4.795 4.556 -0.000 0.000 0.273 156 H C -2.207 172.743 175.328 -0.629 0.000 1.380 156 H CA -0.752 54.840 56.048 -0.760 0.000 1.314 156 H CB 0.634 29.644 29.762 -1.254 0.000 1.880 156 H HN 0.546 nan 8.280 nan 0.000 0.489 157 L N 4.434 125.018 121.223 -1.064 0.000 2.265 157 L HA 0.410 4.749 4.340 -0.000 0.000 0.289 157 L C -1.406 174.812 176.870 -1.086 0.000 1.033 157 L CA -0.089 54.320 54.840 -0.718 0.000 0.814 157 L CB -0.245 41.519 42.059 -0.491 0.000 1.203 157 L HN 0.377 nan 8.230 nan 0.000 0.423 158 F N 6.535 126.130 119.950 -0.591 0.000 2.397 158 F HA 0.673 5.200 4.527 -0.000 0.000 0.331 158 F C 0.144 175.709 175.800 -0.392 0.000 1.090 158 F CA -0.497 57.285 58.000 -0.364 0.000 1.065 158 F CB 1.381 40.338 39.000 -0.072 0.000 1.184 158 F HN 0.460 nan 8.300 nan 0.000 0.499 159 F N 0.759 120.295 119.950 -0.689 0.000 2.654 159 F HA 0.162 4.689 4.527 -0.000 0.000 0.315 159 F C 0.647 176.171 175.800 -0.459 0.000 1.042 159 F CA -1.255 55.987 58.000 -1.264 0.000 1.048 159 F CB 0.329 38.794 39.000 -0.893 0.000 1.287 159 F HN 0.655 nan 8.300 nan 0.000 0.501 160 H N 2.328 121.131 119.070 -0.443 0.000 2.278 160 H HA -0.323 4.233 4.556 -0.000 0.000 0.267 160 H C 0.865 175.941 175.328 -0.420 0.000 1.157 160 H CA 2.715 58.698 56.048 -0.108 0.000 1.192 160 H CB -0.913 28.885 29.762 0.061 0.000 1.443 160 H HN 0.862 nan 8.280 nan 0.000 0.516 161 K N 1.070 120.412 120.400 -1.763 0.000 2.281 161 K HA -0.080 4.240 4.320 -0.000 0.000 0.203 161 K C 0.614 176.704 176.600 -0.849 0.000 1.046 161 K CA 1.532 57.066 56.287 -1.255 0.000 0.938 161 K CB 0.085 31.822 32.500 -1.272 0.000 0.737 161 K HN 0.646 nan 8.250 nan 0.000 0.458 162 E N 0.052 119.677 120.200 -0.959 0.000 4.170 162 E HA 0.008 4.358 4.350 -0.000 0.000 0.199 162 E C -0.422 176.114 176.600 -0.107 0.000 1.080 162 E CA -0.126 56.068 56.400 -0.344 0.000 1.446 162 E CB 0.447 30.069 29.700 -0.130 0.000 1.170 162 E HN 0.309 nan 8.360 nan 0.000 0.429 163 N N 0.523 119.205 118.700 -0.030 0.000 2.519 163 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 163 N C 0.180 175.919 175.510 0.383 0.000 1.062 163 N CA 0.840 54.047 53.050 0.261 0.000 0.910 163 N CB 0.162 38.801 38.487 0.254 0.000 0.958 163 N HN 0.193 nan 8.380 nan 0.000 0.445 164 D N -1.752 118.810 120.400 0.271 0.000 2.433 164 D HA 0.421 5.061 4.640 -0.000 0.000 0.236 164 D C -1.654 174.898 176.300 0.420 0.000 1.026 164 D CA -0.817 53.390 54.000 0.346 0.000 0.884 164 D CB 1.174 42.072 40.800 0.162 0.000 1.384 164 D HN 0.204 nan 8.370 nan 0.000 0.477 165 W N 2.966 124.372 121.300 0.176 0.000 3.571 165 W HA 0.485 5.145 4.660 -0.000 0.000 0.294 165 W C -0.824 175.667 176.519 -0.047 0.000 1.257 165 W CA -0.298 57.004 57.345 -0.071 0.000 1.206 165 W CB 1.714 30.914 29.460 -0.435 0.000 1.325 165 W HN 0.761 nan 8.180 nan 0.000 0.546 166 G N 1.675 110.049 108.800 -0.709 0.000 2.498 166 G HA2 0.367 4.327 3.960 -0.000 0.000 0.181 166 G HA3 0.367 4.327 3.960 -0.000 0.000 0.181 166 G C -2.343 171.656 174.900 -1.501 0.000 1.169 166 G CA -0.723 43.760 45.100 -1.028 0.000 0.992 166 G HN 0.222 nan 8.290 nan 0.000 0.490 167 F N 1.501 120.870 119.950 -0.968 0.000 2.500 167 F HA 0.485 5.011 4.527 -0.000 0.000 0.349 167 F C 1.362 176.886 175.800 -0.460 0.000 1.127 167 F CA -0.439 57.243 58.000 -0.530 0.000 0.998 167 F CB 2.339 41.276 39.000 -0.106 0.000 1.237 167 F HN 0.281 nan 8.300 nan 0.000 0.439 168 S N 1.387 116.979 115.700 -0.181 0.000 2.400 168 S HA -0.246 4.224 4.470 -0.000 0.000 0.232 168 S C 1.033 175.714 174.600 0.136 0.000 1.025 168 S CA 1.437 59.691 58.200 0.089 0.000 0.993 168 S CB -0.306 62.948 63.200 0.090 0.000 0.808 168 S HN 0.619 nan 8.310 nan 0.000 0.478 169 N N -0.075 118.697 118.700 0.120 0.000 2.757 169 N HA 0.257 4.997 4.740 -0.000 0.000 0.296 169 N C 0.081 175.669 175.510 0.131 0.000 1.874 169 N CA -0.415 52.702 53.050 0.111 0.000 0.885 169 N CB -0.249 38.264 38.487 0.042 0.000 1.242 169 N HN 0.110 nan 8.380 nan 0.000 0.488 170 F N 1.264 121.251 119.950 0.063 0.000 2.293 170 F HA 0.304 4.831 4.527 -0.000 0.000 0.300 170 F C 0.585 176.344 175.800 -0.068 0.000 1.086 170 F CA 0.950 58.916 58.000 -0.058 0.000 1.375 170 F CB 0.213 39.260 39.000 0.079 0.000 1.045 170 F HN 0.322 nan 8.300 nan 0.000 0.516 171 M N -1.042 118.585 119.600 0.045 0.000 3.008 171 M HA 0.519 4.998 4.480 -0.000 0.000 0.271 171 M C -1.650 174.694 176.300 0.073 0.000 1.265 171 M CA -0.792 54.538 55.300 0.049 0.000 0.817 171 M CB 1.894 34.555 32.600 0.101 0.000 1.638 171 M HN -0.223 nan 8.290 nan 0.000 0.479 172 A N 1.616 124.471 122.820 0.059 0.000 2.260 172 A HA 0.235 4.555 4.320 -0.000 0.000 0.312 172 A C 0.368 178.000 177.584 0.079 0.000 1.321 172 A CA -0.501 51.574 52.037 0.064 0.000 0.928 172 A CB -0.158 18.865 19.000 0.038 0.000 1.158 172 A HN 1.015 nan 8.150 nan 0.000 0.542 173 W N 3.091 124.369 121.300 -0.037 0.000 2.290 173 W HA -0.318 4.342 4.660 -0.000 0.000 0.318 173 W C 1.926 178.416 176.519 -0.048 0.000 1.248 173 W CA 3.022 60.325 57.345 -0.071 0.000 1.263 173 W CB -0.751 28.628 29.460 -0.136 0.000 1.147 173 W HN 0.817 nan 8.180 nan 0.000 0.494 174 S N -0.293 115.580 115.700 0.288 0.000 2.402 174 S HA -0.304 4.166 4.470 -0.000 0.000 0.233 174 S C 1.664 176.317 174.600 0.088 0.000 1.030 174 S CA 1.730 60.055 58.200 0.208 0.000 1.003 174 S CB -0.696 62.595 63.200 0.152 0.000 0.813 174 S HN 0.560 nan 8.310 nan 0.000 0.477 175 E N 0.847 121.074 120.200 0.045 0.000 2.014 175 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 175 E C 2.088 178.710 176.600 0.037 0.000 0.980 175 E CA 1.000 57.413 56.400 0.023 0.000 0.807 175 E CB -0.320 29.406 29.700 0.045 0.000 0.770 175 E HN 0.277 nan 8.360 nan 0.000 0.451 176 V N 1.386 121.318 119.914 0.030 0.000 2.794 176 V HA -0.213 3.907 4.120 -0.000 0.000 0.260 176 V C 1.993 178.018 176.094 -0.115 0.000 1.103 176 V CA 2.628 64.945 62.300 0.028 0.000 1.125 176 V CB -0.681 30.983 31.823 -0.265 0.000 0.702 176 V HN 0.634 nan 8.190 nan 0.000 0.494 177 T N -3.478 110.977 114.554 -0.165 0.000 3.044 177 T HA 0.068 4.418 4.350 -0.000 0.000 0.250 177 T C 0.836 175.523 174.700 -0.021 0.000 1.081 177 T CA 0.324 62.360 62.100 -0.106 0.000 1.040 177 T CB -0.251 68.609 68.868 -0.013 0.000 0.962 177 T HN 0.446 nan 8.240 nan 0.000 0.506 178 D N 4.293 124.677 120.400 -0.027 0.000 2.385 178 D HA 0.126 4.765 4.640 -0.000 0.000 0.260 178 D C -0.806 175.461 176.300 -0.056 0.000 1.326 178 D CA -2.227 51.752 54.000 -0.037 0.000 1.023 178 D CB 1.070 41.832 40.800 -0.064 0.000 1.083 178 D HN 0.144 nan 8.370 nan 0.000 0.517 179 P HA -0.226 nan 4.420 nan 0.000 0.219 179 P C 0.365 177.645 177.300 -0.034 0.000 1.151 179 P CA 1.244 64.336 63.100 -0.014 0.000 0.850 179 P CB 0.323 32.028 31.700 0.008 0.000 0.784 180 E N -0.741 119.425 120.200 -0.056 0.000 2.394 180 E HA 0.086 4.436 4.350 -0.000 0.000 0.191 180 E C 1.084 177.610 176.600 -0.123 0.000 1.044 180 E CA -0.090 56.269 56.400 -0.068 0.000 0.939 180 E CB 0.029 29.698 29.700 -0.052 0.000 1.089 180 E HN 0.351 nan 8.360 nan 0.000 0.456 181 K N -0.613 119.673 120.400 -0.189 0.000 2.387 181 K HA 0.129 4.449 4.320 -0.000 0.000 0.203 181 K C 1.026 177.370 176.600 -0.426 0.000 1.030 181 K CA 0.381 56.459 56.287 -0.348 0.000 1.099 181 K CB 1.291 33.502 32.500 -0.483 0.000 0.863 181 K HN 0.253 nan 8.250 nan 0.000 0.529 182 G N 1.644 110.318 108.800 -0.209 0.000 2.708 182 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.229 182 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.229 182 G C 1.012 175.824 174.900 -0.147 0.000 1.236 182 G CA 0.480 45.514 45.100 -0.111 0.000 0.749 182 G HN 0.388 nan 8.290 nan 0.000 0.515 183 F N 1.004 120.758 119.950 -0.326 0.000 2.192 183 F HA -0.089 4.438 4.527 -0.000 0.000 0.300 183 F C 1.764 177.179 175.800 -0.642 0.000 1.051 183 F CA 1.298 58.995 58.000 -0.506 0.000 1.309 183 F CB -0.063 38.748 39.000 -0.315 0.000 1.056 183 F HN 0.379 nan 8.300 nan 0.000 0.505 184 I N -0.772 119.709 120.570 -0.148 0.000 3.002 184 I HA 0.343 4.513 4.170 -0.000 0.000 0.310 184 I C -1.390 174.901 176.117 0.290 0.000 1.087 184 I CA -0.676 60.644 61.300 0.033 0.000 1.017 184 I CB 2.283 40.314 38.000 0.051 0.000 1.226 184 I HN -0.286 nan 8.210 nan 0.000 0.443 185 D N 4.606 125.230 120.400 0.373 0.000 2.400 185 D HA 0.128 4.768 4.640 -0.000 0.000 0.197 185 D C -1.094 175.309 176.300 0.171 0.000 1.295 185 D CA -0.001 54.164 54.000 0.275 0.000 0.878 185 D CB 0.833 41.805 40.800 0.286 0.000 1.659 185 D HN 0.661 nan 8.370 nan 0.000 0.546 186 D N 3.203 123.673 120.400 0.118 0.000 2.746 186 D HA -0.197 4.442 4.640 -0.000 0.000 0.236 186 D C -0.122 176.246 176.300 0.115 0.000 1.129 186 D CA 1.350 55.404 54.000 0.091 0.000 0.691 186 D CB -0.490 40.346 40.800 0.060 0.000 1.077 186 D HN 0.737 nan 8.370 nan 0.000 0.432 187 D N -0.809 119.675 120.400 0.140 0.000 2.911 187 D HA -0.221 4.419 4.640 -0.000 0.000 0.227 187 D C -0.329 176.101 176.300 0.216 0.000 1.164 187 D CA 1.361 55.466 54.000 0.175 0.000 0.782 187 D CB -0.363 40.535 40.800 0.164 0.000 1.094 187 D HN 0.546 nan 8.370 nan 0.000 0.425 188 K N -0.783 119.746 120.400 0.215 0.000 2.203 188 K HA 0.737 5.057 4.320 -0.000 0.000 0.251 188 K C -0.535 176.248 176.600 0.305 0.000 0.944 188 K CA -0.968 55.440 56.287 0.202 0.000 0.829 188 K CB 2.741 35.317 32.500 0.126 0.000 1.125 188 K HN -0.138 nan 8.250 nan 0.000 0.430 189 V N 1.403 121.463 119.914 0.243 0.000 2.686 189 V HA 0.290 4.410 4.120 -0.000 0.000 0.306 189 V C -0.738 175.502 176.094 0.244 0.000 1.065 189 V CA -0.902 61.537 62.300 0.230 0.000 0.894 189 V CB 2.161 34.146 31.823 0.269 0.000 1.004 189 V HN 0.792 nan 8.190 nan 0.000 0.424 190 T N 5.307 119.983 114.554 0.202 0.000 2.767 190 T HA 0.680 5.030 4.350 -0.000 0.000 0.284 190 T C -0.800 173.940 174.700 0.068 0.000 0.973 190 T CA -0.042 62.181 62.100 0.205 0.000 0.996 190 T CB 0.388 69.400 68.868 0.240 0.000 0.927 190 T HN 0.290 nan 8.240 nan 0.000 0.456 191 F N 1.970 121.790 119.950 -0.216 0.000 2.458 191 F HA 0.520 5.047 4.527 -0.000 0.000 0.336 191 F C 0.641 176.387 175.800 -0.089 0.000 1.114 191 F CA -1.429 56.403 58.000 -0.279 0.000 0.987 191 F CB 1.387 40.097 39.000 -0.483 0.000 1.130 191 F HN 0.479 nan 8.300 nan 0.000 0.458 192 E N 1.624 121.892 120.200 0.113 0.000 2.256 192 E HA 0.736 5.085 4.350 -0.000 0.000 0.267 192 E C -1.726 174.871 176.600 -0.005 0.000 0.892 192 E CA -0.682 55.739 56.400 0.036 0.000 0.775 192 E CB 2.291 32.018 29.700 0.045 0.000 1.207 192 E HN 0.443 nan 8.360 nan 0.000 0.420 193 V N 5.104 124.879 119.914 -0.232 0.000 2.516 193 V HA 0.141 4.261 4.120 -0.000 0.000 0.271 193 V C -0.837 175.175 176.094 -0.137 0.000 0.992 193 V CA -0.713 61.422 62.300 -0.274 0.000 0.857 193 V CB 0.521 32.008 31.823 -0.560 0.000 1.047 193 V HN 0.600 nan 8.190 nan 0.000 0.455 194 F N 5.758 125.646 119.950 -0.104 0.000 2.468 194 F HA 0.547 5.074 4.527 -0.000 0.000 0.356 194 F C -0.091 175.663 175.800 -0.077 0.000 1.167 194 F CA -0.122 57.850 58.000 -0.048 0.000 1.135 194 F CB 0.861 39.849 39.000 -0.021 0.000 1.197 194 F HN 0.277 nan 8.300 nan 0.000 0.569 195 V N 6.620 126.248 119.914 -0.477 0.000 2.644 195 V HA 0.387 4.507 4.120 -0.000 0.000 0.295 195 V C -0.623 174.978 176.094 -0.822 0.000 1.053 195 V CA -0.369 61.522 62.300 -0.683 0.000 0.987 195 V CB 1.764 33.160 31.823 -0.711 0.000 1.006 195 V HN 0.789 nan 8.190 nan 0.000 0.472 196 Q N 4.066 123.444 119.800 -0.704 0.000 2.337 196 Q HA 0.661 5.001 4.340 -0.000 0.000 0.264 196 Q C -0.704 175.112 176.000 -0.306 0.000 1.007 196 Q CA -0.357 55.176 55.803 -0.450 0.000 0.727 196 Q CB 1.877 30.397 28.738 -0.363 0.000 1.256 196 Q HN 0.950 nan 8.270 nan 0.000 0.467 197 A N 2.647 125.312 122.820 -0.259 0.000 2.269 197 A HA 0.660 4.980 4.320 -0.000 0.000 0.327 197 A C -0.592 176.985 177.584 -0.011 0.000 1.112 197 A CA -0.416 51.560 52.037 -0.103 0.000 0.865 197 A CB 0.923 19.912 19.000 -0.019 0.000 1.227 197 A HN 0.634 nan 8.150 nan 0.000 0.498 198 D N -0.580 119.841 120.400 0.036 0.000 2.466 198 D HA 0.606 5.246 4.640 -0.000 0.000 0.271 198 D C 0.136 176.336 176.300 -0.166 0.000 1.193 198 D CA 0.526 54.499 54.000 -0.045 0.000 1.103 198 D CB 0.268 41.049 40.800 -0.033 0.000 1.184 198 D HN 0.709 nan 8.370 nan 0.000 0.593 199 A N 0.685 123.301 122.820 -0.339 0.000 2.276 199 A HA 0.613 4.932 4.320 -0.000 0.000 0.316 199 A C -2.412 174.937 177.584 -0.392 0.000 1.229 199 A CA -1.009 50.585 52.037 -0.739 0.000 0.851 199 A CB 0.647 18.927 19.000 -1.200 0.000 1.165 199 A HN 0.272 nan 8.150 nan 0.000 0.513 200 P HA 0.580 nan 4.420 nan 0.000 0.285 200 P C -1.313 176.026 177.300 0.066 0.000 1.280 200 P CA -0.334 62.807 63.100 0.068 0.000 0.862 200 P CB 1.294 33.073 31.700 0.132 0.000 1.153 201 H N -1.441 117.661 119.070 0.054 0.000 2.529 201 H HA 0.560 5.115 4.556 -0.000 0.000 0.348 201 H C 1.180 176.605 175.328 0.163 0.000 1.152 201 H CA 0.179 56.281 56.048 0.090 0.000 1.202 201 H CB 1.128 30.927 29.762 0.061 0.000 1.562 201 H HN 0.784 nan 8.280 nan 0.000 0.515 202 G N 0.354 109.323 108.800 0.283 0.000 2.163 202 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.213 202 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.213 202 G C 0.399 175.404 174.900 0.175 0.000 0.991 202 G CA 0.503 45.753 45.100 0.250 0.000 0.653 202 G HN 0.776 nan 8.290 nan 0.000 0.518 203 V N -3.586 116.438 119.914 0.183 0.000 5.356 203 V HA 0.991 5.111 4.120 -0.000 0.000 0.145 203 V C 1.442 177.695 176.094 0.265 0.000 0.911 203 V CA 1.226 63.619 62.300 0.156 0.000 1.415 203 V CB 0.270 32.157 31.823 0.108 0.000 2.421 203 V HN 1.526 nan 8.190 nan 0.000 0.351 204 A N -3.835 119.255 122.820 0.450 0.000 1.713 204 A HA 0.267 4.586 4.320 -0.000 0.000 0.164 204 A C 1.335 179.236 177.584 0.527 0.000 1.618 204 A CA 0.868 53.169 52.037 0.440 0.000 1.267 204 A CB -0.573 18.715 19.000 0.480 0.000 1.054 204 A HN 1.426 nan 8.150 nan 0.000 0.713 205 W N 0.646 122.175 121.300 0.382 0.000 1.453 205 W HA -0.324 4.336 4.660 -0.000 0.000 0.232 205 W C -0.560 175.968 176.519 0.016 0.000 0.953 205 W CA 2.030 59.516 57.345 0.235 0.000 0.399 205 W CB -1.395 28.208 29.460 0.238 0.000 1.953 205 W HN 0.576 nan 8.180 nan 0.000 1.387 206 D N 1.106 121.528 120.400 0.037 0.000 2.813 206 D HA -0.186 4.453 4.640 -0.000 0.000 0.218 206 D C 1.152 177.327 176.300 -0.209 0.000 1.240 206 D CA 1.412 55.350 54.000 -0.104 0.000 0.644 206 D CB -0.599 40.079 40.800 -0.203 0.000 0.966 206 D HN 0.240 nan 8.370 nan 0.000 0.398 207 S N 0.189 115.856 115.700 -0.055 0.000 1.712 207 S HA -0.466 4.004 4.470 -0.000 0.000 0.535 207 S C 1.912 176.429 174.600 -0.138 0.000 0.915 207 S CA 1.736 59.922 58.200 -0.024 0.000 3.371 207 S CB -0.485 62.796 63.200 0.135 0.000 2.346 207 S HN 0.709 nan 8.310 nan 0.000 0.586 208 K N 1.345 121.714 120.400 -0.051 0.000 2.127 208 K HA -0.375 3.945 4.320 -0.000 0.000 0.222 208 K C 2.096 178.593 176.600 -0.172 0.000 1.034 208 K CA 2.577 58.818 56.287 -0.078 0.000 0.955 208 K CB -0.468 31.996 32.500 -0.059 0.000 0.786 208 K HN 0.658 nan 8.250 nan 0.000 0.465 209 K N -1.150 119.089 120.400 -0.269 0.000 2.286 209 K HA -0.229 4.091 4.320 -0.000 0.000 0.203 209 K C 1.518 177.903 176.600 -0.358 0.000 1.045 209 K CA 2.243 58.321 56.287 -0.347 0.000 0.935 209 K CB -0.371 31.843 32.500 -0.477 0.000 0.737 209 K HN 0.572 nan 8.250 nan 0.000 0.460 210 H N -0.198 118.655 119.070 -0.362 0.000 2.639 210 H HA 0.056 4.612 4.556 -0.000 0.000 0.267 210 H C 1.510 176.726 175.328 -0.187 0.000 0.958 210 H CA 1.089 56.917 56.048 -0.367 0.000 1.221 210 H CB 0.910 30.237 29.762 -0.726 0.000 1.446 210 H HN 0.545 nan 8.280 nan 0.000 0.512 211 T N -5.574 108.964 114.554 -0.027 0.000 3.010 211 T HA 0.312 4.661 4.350 -0.000 0.000 0.252 211 T C 1.745 176.337 174.700 -0.181 0.000 0.963 211 T CA 0.547 62.646 62.100 -0.001 0.000 0.952 211 T CB 0.908 69.844 68.868 0.113 0.000 1.182 211 T HN 0.331 nan 8.240 nan 0.000 0.495 212 G N 0.851 109.521 108.800 -0.216 0.000 2.232 212 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.226 212 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.226 212 G C -0.271 174.415 174.900 -0.357 0.000 0.996 212 G CA -0.053 44.822 45.100 -0.375 0.000 0.626 212 G HN 0.643 nan 8.290 nan 0.000 0.509 213 Y N -0.432 119.966 120.300 0.163 0.000 2.429 213 Y HA 0.766 5.316 4.550 -0.000 0.000 0.342 213 Y C 0.690 176.719 175.900 0.215 0.000 1.004 213 Y CA -0.677 57.589 58.100 0.277 0.000 1.075 213 Y CB 1.796 40.580 38.460 0.540 0.000 1.214 213 Y HN 0.232 nan 8.280 nan 0.000 0.455 214 V N 1.107 121.221 119.914 0.333 0.000 3.700 214 V HA 0.926 5.046 4.120 -0.000 0.000 0.277 214 V C 0.301 176.556 176.094 0.267 0.000 1.067 214 V CA 0.162 62.592 62.300 0.217 0.000 0.897 214 V CB 1.359 33.249 31.823 0.111 0.000 1.231 214 V HN 0.948 nan 8.190 nan 0.000 0.425 215 G N -0.738 108.167 108.800 0.176 0.000 3.058 215 G HA2 0.620 4.580 3.960 -0.000 0.000 0.282 215 G HA3 0.620 4.580 3.960 -0.000 0.000 0.282 215 G C -1.740 173.204 174.900 0.073 0.000 1.248 215 G CA -0.831 44.373 45.100 0.174 0.000 0.822 215 G HN 0.703 nan 8.290 nan 0.000 0.579 216 L N -0.046 121.218 121.223 0.069 0.000 2.354 216 L HA 0.471 4.811 4.340 -0.000 0.000 0.264 216 L C -0.310 176.584 176.870 0.040 0.000 1.008 216 L CA -0.999 53.856 54.840 0.025 0.000 0.819 216 L CB 2.493 44.545 42.059 -0.012 0.000 1.339 216 L HN 0.341 nan 8.230 nan 0.000 0.420 217 K N 2.091 122.504 120.400 0.022 0.000 2.378 217 K HA 0.137 4.456 4.320 -0.000 0.000 0.288 217 K C -0.267 176.341 176.600 0.013 0.000 1.057 217 K CA -0.486 55.819 56.287 0.031 0.000 0.971 217 K CB 0.015 32.528 32.500 0.022 0.000 0.975 217 K HN 0.655 nan 8.250 nan 0.000 0.475 218 N N 2.304 121.027 118.700 0.039 0.000 1.517 218 N HA -0.295 4.445 4.740 -0.000 0.000 0.397 218 N C -0.296 175.184 175.510 -0.050 0.000 1.159 218 N CA 0.804 53.865 53.050 0.019 0.000 0.765 218 N CB 0.079 38.590 38.487 0.040 0.000 0.958 218 N HN 0.619 nan 8.380 nan 0.000 0.546 219 Q N 1.161 120.902 119.800 -0.098 0.000 2.800 219 Q HA 0.177 4.517 4.340 -0.000 0.000 0.261 219 Q C 1.364 177.261 176.000 -0.172 0.000 1.093 219 Q CA -0.264 55.435 55.803 -0.175 0.000 0.943 219 Q CB -0.614 27.998 28.738 -0.210 0.000 1.591 219 Q HN 0.739 nan 8.270 nan 0.000 0.429 220 G N 2.246 110.970 108.800 -0.125 0.000 3.206 220 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.215 220 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.215 220 G C 0.958 175.784 174.900 -0.124 0.000 1.165 220 G CA 0.939 45.981 45.100 -0.095 0.000 0.754 220 G HN 0.736 nan 8.290 nan 0.000 0.999 221 A N -0.831 121.903 122.820 -0.144 0.000 2.387 221 A HA 0.402 4.722 4.320 -0.000 0.000 0.234 221 A C 2.191 179.551 177.584 -0.374 0.000 1.253 221 A CA 1.465 53.418 52.037 -0.141 0.000 0.894 221 A CB -0.318 18.669 19.000 -0.021 0.000 0.963 221 A HN 0.860 nan 8.150 nan 0.000 0.508 222 T N -3.917 110.251 114.554 -0.643 0.000 2.995 222 T HA -0.066 4.283 4.350 -0.000 0.000 0.269 222 T C 1.306 175.252 174.700 -1.256 0.000 1.091 222 T CA 0.981 62.233 62.100 -1.413 0.000 1.128 222 T CB -1.116 67.160 68.868 -0.985 0.000 0.891 222 T HN 0.736 nan 8.240 nan 0.000 0.492 223 C N 0.814 119.670 119.300 -0.740 0.000 0.385 223 C HA -0.276 4.184 4.460 -0.000 0.000 0.026 223 C C 1.363 175.625 174.990 -1.214 0.000 0.223 223 C CA 0.743 59.219 59.018 -0.903 0.000 0.515 223 C CB -2.116 25.023 27.740 -1.001 0.000 3.212 223 C HN 0.841 nan 8.230 nan 0.000 1.116 224 Y N 1.333 120.943 120.300 -1.151 0.000 2.473 224 Y HA 0.411 4.961 4.550 -0.000 0.000 0.329 224 Y C 1.744 177.509 175.900 -0.225 0.000 1.207 224 Y CA 0.874 58.597 58.100 -0.629 0.000 1.266 224 Y CB -0.765 37.483 38.460 -0.353 0.000 1.091 224 Y HN 0.598 nan 8.280 nan 0.000 0.501 225 M N 0.697 120.114 119.600 -0.306 0.000 2.257 225 M HA -0.103 4.377 4.480 -0.000 0.000 0.260 225 M C 1.362 177.615 176.300 -0.078 0.000 1.102 225 M CA 1.104 56.343 55.300 -0.100 0.000 1.169 225 M CB -0.129 32.312 32.600 -0.264 0.000 1.323 225 M HN 0.372 nan 8.290 nan 0.000 0.447 226 N N 0.488 119.105 118.700 -0.138 0.000 2.503 226 N HA -0.111 4.629 4.740 -0.000 0.000 0.189 226 N C 1.372 176.871 175.510 -0.018 0.000 1.048 226 N CA 1.411 54.412 53.050 -0.082 0.000 0.905 226 N CB -0.144 38.296 38.487 -0.078 0.000 0.951 226 N HN 0.344 nan 8.380 nan 0.000 0.446 227 S N 0.631 116.349 115.700 0.030 0.000 2.446 227 S HA 0.117 4.587 4.470 -0.000 0.000 0.225 227 S C 1.891 176.542 174.600 0.086 0.000 1.016 227 S CA -0.069 58.191 58.200 0.099 0.000 0.943 227 S CB 0.286 63.607 63.200 0.202 0.000 0.786 227 S HN 0.287 nan 8.310 nan 0.000 0.508 228 L N 1.123 122.392 121.223 0.078 0.000 2.209 228 L HA 0.069 4.409 4.340 -0.000 0.000 0.207 228 L C 1.676 178.582 176.870 0.061 0.000 1.094 228 L CA 0.658 55.538 54.840 0.066 0.000 0.790 228 L CB -0.147 41.958 42.059 0.076 0.000 0.932 228 L HN 0.275 nan 8.230 nan 0.000 0.447 229 L N -0.392 120.840 121.223 0.015 0.000 2.027 229 L HA -0.189 4.151 4.340 -0.000 0.000 0.206 229 L C 2.669 179.604 176.870 0.107 0.000 1.074 229 L CA 1.506 56.352 54.840 0.011 0.000 0.745 229 L CB -1.508 40.483 42.059 -0.113 0.000 0.898 229 L HN 0.353 nan 8.230 nan 0.000 0.433 230 Q N -0.707 119.097 119.800 0.008 0.000 2.135 230 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 230 Q C 2.114 178.223 176.000 0.183 0.000 0.981 230 Q CA 1.825 57.602 55.803 -0.042 0.000 0.856 230 Q CB -0.542 28.035 28.738 -0.268 0.000 0.902 230 Q HN 0.478 nan 8.270 nan 0.000 0.425 231 T N 1.489 116.140 114.554 0.162 0.000 2.857 231 T HA 0.009 4.359 4.350 -0.000 0.000 0.266 231 T C 2.009 176.890 174.700 0.301 0.000 1.048 231 T CA 0.581 62.816 62.100 0.224 0.000 1.139 231 T CB -0.002 68.953 68.868 0.145 0.000 0.874 231 T HN 0.160 nan 8.240 nan 0.000 0.455 232 L N -0.174 121.222 121.223 0.288 0.000 2.068 232 L HA 0.104 4.444 4.340 -0.000 0.000 0.204 232 L C 2.268 179.212 176.870 0.122 0.000 1.076 232 L CA 1.131 56.137 54.840 0.277 0.000 0.753 232 L CB -0.755 41.536 42.059 0.386 0.000 0.910 232 L HN 0.203 nan 8.230 nan 0.000 0.439 233 F N 0.898 120.882 119.950 0.056 0.000 2.225 233 F HA -0.245 4.282 4.527 -0.000 0.000 0.302 233 F C 1.619 177.097 175.800 -0.536 0.000 1.068 233 F CA 1.459 59.237 58.000 -0.371 0.000 1.327 233 F CB -0.264 38.624 39.000 -0.186 0.000 1.043 233 F HN -0.092 nan 8.300 nan 0.000 0.506 234 F N -0.356 119.686 119.950 0.154 0.000 2.645 234 F HA 0.165 4.692 4.527 -0.000 0.000 0.300 234 F C 0.934 176.797 175.800 0.105 0.000 1.115 234 F CA -0.007 58.060 58.000 0.112 0.000 1.355 234 F CB -0.135 38.950 39.000 0.142 0.000 1.026 234 F HN -0.306 nan 8.300 nan 0.000 0.536 235 T N 0.465 115.064 114.554 0.074 0.000 3.243 235 T HA 0.053 4.402 4.350 -0.000 0.000 0.245 235 T C 1.172 175.787 174.700 -0.142 0.000 1.263 235 T CA -0.227 61.882 62.100 0.014 0.000 1.228 235 T CB -0.411 68.518 68.868 0.102 0.000 1.097 235 T HN 0.113 nan 8.240 nan 0.000 0.628 236 N N 2.246 120.851 118.700 -0.159 0.000 2.204 236 N HA -0.326 4.414 4.740 -0.000 0.000 0.192 236 N C 1.755 177.134 175.510 -0.218 0.000 0.938 236 N CA 1.869 54.782 53.050 -0.228 0.000 0.904 236 N CB -0.392 38.028 38.487 -0.111 0.000 1.069 236 N HN 0.588 nan 8.380 nan 0.000 0.711 237 Q N -0.046 119.664 119.800 -0.149 0.000 2.197 237 Q HA -0.204 4.136 4.340 -0.000 0.000 0.211 237 Q C 2.043 177.951 176.000 -0.152 0.000 0.993 237 Q CA 1.646 57.370 55.803 -0.133 0.000 0.883 237 Q CB -0.180 28.482 28.738 -0.125 0.000 0.916 237 Q HN 0.382 nan 8.270 nan 0.000 0.418 238 L N 0.482 121.601 121.223 -0.173 0.000 2.044 238 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 238 L C 2.330 179.005 176.870 -0.325 0.000 1.075 238 L CA 1.776 56.519 54.840 -0.161 0.000 0.747 238 L CB -0.742 41.284 42.059 -0.056 0.000 0.903 238 L HN 0.156 nan 8.230 nan 0.000 0.435 239 R N 0.056 120.237 120.500 -0.532 0.000 2.154 239 R HA -0.276 4.064 4.340 -0.000 0.000 0.236 239 R C 2.304 178.224 176.300 -0.634 0.000 1.121 239 R CA 2.645 58.234 56.100 -0.851 0.000 0.915 239 R CB -0.313 29.470 30.300 -0.862 0.000 0.856 239 R HN 0.385 nan 8.270 nan 0.000 0.431 240 K N -0.372 119.859 120.400 -0.282 0.000 2.049 240 K HA -0.254 4.066 4.320 -0.000 0.000 0.219 240 K C 2.130 178.708 176.600 -0.037 0.000 1.056 240 K CA 2.051 58.327 56.287 -0.019 0.000 0.946 240 K CB -0.449 32.047 32.500 -0.007 0.000 0.723 240 K HN 0.361 nan 8.250 nan 0.000 0.453 241 A N 0.983 123.750 122.820 -0.089 0.000 1.986 241 A HA -0.168 4.151 4.320 -0.000 0.000 0.220 241 A C 2.408 179.968 177.584 -0.040 0.000 1.171 241 A CA 1.874 53.882 52.037 -0.048 0.000 0.640 241 A CB -0.688 18.282 19.000 -0.050 0.000 0.811 241 A HN 0.140 nan 8.150 nan 0.000 0.451 242 V N -1.757 118.081 119.914 -0.126 0.000 2.379 242 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 242 V C 2.248 178.359 176.094 0.028 0.000 1.044 242 V CA 1.656 63.920 62.300 -0.060 0.000 1.036 242 V CB -1.051 30.724 31.823 -0.080 0.000 0.664 242 V HN 0.721 nan 8.190 nan 0.000 0.453 243 Y N -1.482 118.837 120.300 0.032 0.000 2.315 243 Y HA -0.193 4.356 4.550 -0.000 0.000 0.288 243 Y C 2.394 178.307 175.900 0.022 0.000 1.154 243 Y CA 0.563 58.686 58.100 0.038 0.000 1.229 243 Y CB -0.113 38.360 38.460 0.022 0.000 0.980 243 Y HN 0.192 nan 8.280 nan 0.000 0.540 244 M N -0.160 119.536 119.600 0.160 0.000 2.628 244 M HA 0.016 4.496 4.480 -0.000 0.000 0.232 244 M C -0.007 176.333 176.300 0.067 0.000 1.128 244 M CA 0.711 56.067 55.300 0.094 0.000 1.040 244 M CB -0.938 31.698 32.600 0.060 0.000 1.608 244 M HN 0.173 nan 8.290 nan 0.000 0.507 245 M N 1.105 120.750 119.600 0.075 0.000 2.185 245 M HA 0.179 4.658 4.480 -0.000 0.000 0.357 245 M C -1.640 174.687 176.300 0.045 0.000 1.260 245 M CA -1.424 53.908 55.300 0.053 0.000 1.124 245 M CB 0.246 32.877 32.600 0.053 0.000 1.600 245 M HN -0.215 nan 8.290 nan 0.000 0.467 246 P HA -0.024 nan 4.420 nan 0.000 0.233 246 P C -0.065 177.245 177.300 0.017 0.000 1.576 246 P CA 0.553 63.665 63.100 0.020 0.000 0.962 246 P CB -0.821 30.887 31.700 0.014 0.000 1.859 247 T N -3.479 111.088 114.554 0.020 0.000 3.332 247 T HA 0.187 4.537 4.350 -0.000 0.000 0.246 247 T C 1.079 175.782 174.700 0.006 0.000 0.943 247 T CA -0.229 61.880 62.100 0.015 0.000 0.922 247 T CB -0.159 68.723 68.868 0.023 0.000 1.086 247 T HN 0.228 nan 8.240 nan 0.000 0.590 248 E N 1.142 121.344 120.200 0.003 0.000 2.102 248 E HA 0.067 4.417 4.350 -0.000 0.000 0.190 248 E C 2.433 179.032 176.600 -0.002 0.000 0.971 248 E CA 0.522 56.920 56.400 -0.002 0.000 0.821 248 E CB -0.262 29.436 29.700 -0.003 0.000 0.777 248 E HN 0.633 nan 8.360 nan 0.000 0.460 249 G N 1.616 110.416 108.800 -0.001 0.000 2.418 249 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.217 249 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.217 249 G C 0.137 175.036 174.900 -0.002 0.000 1.158 249 G CA 0.513 45.612 45.100 -0.002 0.000 0.771 249 G HN 0.208 nan 8.290 nan 0.000 0.545 250 D N 1.050 121.450 120.400 -0.001 0.000 2.703 250 D HA 0.111 4.751 4.640 -0.000 0.000 0.225 250 D C 0.142 176.441 176.300 -0.002 0.000 1.119 250 D CA 0.573 54.572 54.000 -0.001 0.000 0.845 250 D CB 0.621 41.422 40.800 0.002 0.000 1.182 250 D HN 0.131 nan 8.370 nan 0.000 0.493 251 D N 1.564 121.962 120.400 -0.003 0.000 2.325 251 D HA 0.007 4.647 4.640 -0.000 0.000 0.251 251 D C 1.008 177.307 176.300 -0.001 0.000 1.196 251 D CA -0.115 53.884 54.000 -0.002 0.000 0.866 251 D CB 1.315 42.113 40.800 -0.003 0.000 1.101 251 D HN 0.221 nan 8.370 nan 0.000 0.476 252 S N 3.006 118.705 115.700 -0.001 0.000 2.389 252 S HA -0.266 4.204 4.470 -0.000 0.000 0.231 252 S C 1.755 176.356 174.600 0.003 0.000 1.052 252 S CA 2.334 60.534 58.200 0.000 0.000 1.053 252 S CB -0.139 63.061 63.200 -0.000 0.000 0.886 252 S HN 0.608 nan 8.310 nan 0.000 0.456 253 S N -0.635 115.067 115.700 0.004 0.000 2.558 253 S HA 0.234 4.704 4.470 -0.000 0.000 0.217 253 S C 1.360 175.963 174.600 0.006 0.000 0.975 253 S CA 0.070 58.274 58.200 0.006 0.000 0.912 253 S CB -0.061 63.143 63.200 0.007 0.000 0.776 253 S HN 0.640 nan 8.310 nan 0.000 0.526 254 K N 0.812 121.213 120.400 0.002 0.000 2.435 254 K HA 0.251 4.571 4.320 -0.000 0.000 0.199 254 K C 0.431 177.029 176.600 -0.003 0.000 1.153 254 K CA 0.140 56.425 56.287 -0.003 0.000 0.974 254 K CB 0.625 33.120 32.500 -0.008 0.000 0.997 254 K HN 0.258 nan 8.250 nan 0.000 0.547 255 S N 1.101 116.801 115.700 0.000 0.000 2.489 255 S HA 0.133 4.603 4.470 -0.000 0.000 0.277 255 S C 1.185 175.790 174.600 0.008 0.000 1.230 255 S CA -0.679 57.523 58.200 0.002 0.000 1.053 255 S CB 1.058 64.260 63.200 0.003 0.000 0.955 255 S HN -0.014 nan 8.310 nan 0.000 0.488 256 V N 7.297 127.220 119.914 0.015 0.000 2.488 256 V HA 0.036 4.156 4.120 -0.000 0.000 0.246 256 V C -0.964 175.133 176.094 0.003 0.000 1.046 256 V CA 0.940 63.254 62.300 0.022 0.000 1.053 256 V CB -1.482 30.383 31.823 0.070 0.000 0.679 256 V HN 0.643 nan 8.190 nan 0.000 0.458 257 P HA -0.150 nan 4.420 nan 0.000 0.216 257 P C 2.027 179.346 177.300 0.031 0.000 1.150 257 P CA 1.361 64.477 63.100 0.026 0.000 0.837 257 P CB 0.043 31.761 31.700 0.030 0.000 0.786 258 L N -0.852 120.384 121.223 0.022 0.000 2.005 258 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 258 L C 2.201 179.080 176.870 0.015 0.000 1.072 258 L CA 1.885 56.740 54.840 0.024 0.000 0.744 258 L CB -1.008 41.059 42.059 0.012 0.000 0.895 258 L HN -0.038 nan 8.230 nan 0.000 0.433 259 A N -0.063 122.752 122.820 -0.007 0.000 1.892 259 A HA -0.292 4.027 4.320 -0.000 0.000 0.218 259 A C 2.133 179.670 177.584 -0.078 0.000 1.188 259 A CA 2.041 54.059 52.037 -0.032 0.000 0.631 259 A CB -0.878 18.099 19.000 -0.039 0.000 0.822 259 A HN 0.436 nan 8.150 nan 0.000 0.447 260 L N -0.325 120.833 121.223 -0.108 0.000 1.994 260 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 260 L C 2.642 179.447 176.870 -0.108 0.000 1.071 260 L CA 2.331 57.020 54.840 -0.251 0.000 0.745 260 L CB -0.861 41.090 42.059 -0.180 0.000 0.892 260 L HN 0.534 nan 8.230 nan 0.000 0.431 261 Q N -0.907 118.949 119.800 0.093 0.000 1.967 261 Q HA -0.323 4.017 4.340 -0.000 0.000 0.210 261 Q C 2.350 178.524 176.000 0.291 0.000 1.005 261 Q CA 2.326 58.286 55.803 0.262 0.000 0.862 261 Q CB -0.465 28.406 28.738 0.221 0.000 0.939 261 Q HN 0.405 nan 8.270 nan 0.000 0.417 262 R N 0.248 120.847 120.500 0.165 0.000 2.136 262 R HA -0.240 4.099 4.340 -0.000 0.000 0.242 262 R C 2.191 178.604 176.300 0.188 0.000 1.131 262 R CA 2.189 58.393 56.100 0.173 0.000 0.937 262 R CB -0.556 29.787 30.300 0.071 0.000 0.863 262 R HN 0.173 nan 8.270 nan 0.000 0.435 263 V N 0.594 120.528 119.914 0.033 0.000 2.287 263 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 263 V C 2.232 178.360 176.094 0.057 0.000 1.053 263 V CA 1.963 64.234 62.300 -0.048 0.000 1.027 263 V CB -0.651 31.031 31.823 -0.235 0.000 0.646 263 V HN 0.264 nan 8.190 nan 0.000 0.447 264 F N -0.826 119.219 119.950 0.158 0.000 2.134 264 F HA -0.114 4.412 4.527 -0.000 0.000 0.299 264 F C 2.283 178.315 175.800 0.387 0.000 1.097 264 F CA 1.198 59.355 58.000 0.261 0.000 1.264 264 F CB -1.138 37.867 39.000 0.008 0.000 1.001 264 F HN 0.204 nan 8.300 nan 0.000 0.479 265 Y N 1.282 121.860 120.300 0.464 0.000 2.070 265 Y HA -0.243 4.307 4.550 -0.000 0.000 0.280 265 Y C 2.458 178.414 175.900 0.093 0.000 1.148 265 Y CA 2.013 60.254 58.100 0.235 0.000 1.125 265 Y CB -0.375 38.147 38.460 0.105 0.000 0.975 265 Y HN -0.071 nan 8.280 nan 0.000 0.492 266 E N 0.138 120.404 120.200 0.109 0.000 2.209 266 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 266 E C 2.083 178.670 176.600 -0.022 0.000 0.993 266 E CA 1.191 57.602 56.400 0.018 0.000 0.819 266 E CB -0.334 29.439 29.700 0.122 0.000 0.745 266 E HN 0.467 nan 8.360 nan 0.000 0.477 267 L N 0.649 121.875 121.223 0.005 0.000 2.156 267 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 267 L C 2.561 179.430 176.870 -0.002 0.000 1.095 267 L CA 1.344 56.083 54.840 -0.167 0.000 0.770 267 L CB -0.396 41.253 42.059 -0.683 0.000 0.914 267 L HN 0.103 nan 8.230 nan 0.000 0.439 268 Q N -1.788 118.160 119.800 0.246 0.000 2.172 268 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 268 Q C 1.646 177.766 176.000 0.200 0.000 0.964 268 Q CA 1.299 57.287 55.803 0.308 0.000 0.855 268 Q CB 0.147 29.009 28.738 0.207 0.000 0.918 268 Q HN 0.645 nan 8.270 nan 0.000 0.444 269 H N -1.220 117.759 119.070 -0.152 0.000 2.356 269 H HA 0.190 4.746 4.556 -0.000 0.000 0.306 269 H C 0.569 175.847 175.328 -0.082 0.000 1.142 269 H CA -0.110 55.833 56.048 -0.174 0.000 1.673 269 H CB 0.042 29.583 29.762 -0.369 0.000 1.505 269 H HN 0.063 nan 8.280 nan 0.000 0.638 270 S N 0.763 116.511 115.700 0.079 0.000 2.536 270 S HA -0.156 4.314 4.470 -0.000 0.000 0.290 270 S C 0.777 175.401 174.600 0.041 0.000 1.302 270 S CA 0.388 58.622 58.200 0.057 0.000 1.037 270 S CB 0.053 63.290 63.200 0.061 0.000 0.804 270 S HN 0.441 nan 8.310 nan 0.000 0.506 271 D N 1.484 121.901 120.400 0.028 0.000 2.440 271 D HA 0.266 4.906 4.640 -0.000 0.000 0.216 271 D C -0.192 176.122 176.300 0.024 0.000 1.150 271 D CA 0.122 54.131 54.000 0.015 0.000 0.832 271 D CB 0.213 41.005 40.800 -0.013 0.000 0.992 271 D HN 0.309 nan 8.370 nan 0.000 0.502 272 K N 0.888 121.310 120.400 0.037 0.000 2.267 272 K HA 0.442 4.762 4.320 -0.000 0.000 0.246 272 K C -2.656 173.977 176.600 0.055 0.000 0.954 272 K CA -2.015 54.300 56.287 0.047 0.000 0.824 272 K CB 1.895 34.421 32.500 0.044 0.000 1.167 272 K HN -0.140 nan 8.250 nan 0.000 0.431 273 P HA -0.082 nan 4.420 nan 0.000 0.264 273 P C -0.690 176.636 177.300 0.044 0.000 1.179 273 P CA 0.011 63.150 63.100 0.064 0.000 0.763 273 P CB 0.379 32.124 31.700 0.076 0.000 0.806 274 V N 3.763 123.693 119.914 0.026 0.000 2.465 274 V HA 0.429 4.549 4.120 -0.000 0.000 0.279 274 V C 1.158 177.254 176.094 0.003 0.000 1.045 274 V CA -0.136 62.172 62.300 0.012 0.000 0.938 274 V CB 1.012 32.827 31.823 -0.014 0.000 0.986 274 V HN 0.735 nan 8.190 nan 0.000 0.467 275 G N 2.612 111.418 108.800 0.010 0.000 2.539 275 G HA2 0.451 4.411 3.960 -0.000 0.000 0.258 275 G HA3 0.451 4.411 3.960 -0.000 0.000 0.258 275 G C 0.663 175.553 174.900 -0.017 0.000 1.202 275 G CA 0.430 45.531 45.100 0.002 0.000 0.851 275 G HN 0.881 nan 8.290 nan 0.000 0.556 276 T N -2.363 112.176 114.554 -0.025 0.000 3.087 276 T HA 0.127 4.477 4.350 -0.000 0.000 0.283 276 T C 1.770 176.456 174.700 -0.023 0.000 0.956 276 T CA 0.147 62.221 62.100 -0.043 0.000 0.894 276 T CB 0.327 69.151 68.868 -0.073 0.000 1.160 276 T HN 0.533 nan 8.240 nan 0.000 0.532 277 K N 2.719 123.116 120.400 -0.005 0.000 2.059 277 K HA -0.190 4.130 4.320 -0.000 0.000 0.212 277 K C 1.641 178.252 176.600 0.018 0.000 1.050 277 K CA 1.504 57.798 56.287 0.012 0.000 0.927 277 K CB -0.516 31.994 32.500 0.017 0.000 0.714 277 K HN 0.345 nan 8.250 nan 0.000 0.447 278 K N 0.499 120.904 120.400 0.009 0.000 2.211 278 K HA -0.056 4.264 4.320 -0.000 0.000 0.203 278 K C 2.227 178.831 176.600 0.007 0.000 1.050 278 K CA 0.844 57.138 56.287 0.011 0.000 0.945 278 K CB -0.181 32.323 32.500 0.007 0.000 0.732 278 K HN 0.052 nan 8.250 nan 0.000 0.451 279 L N 1.024 122.239 121.223 -0.014 0.000 2.005 279 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 279 L C 2.512 179.391 176.870 0.014 0.000 1.072 279 L CA 2.139 56.957 54.840 -0.036 0.000 0.744 279 L CB -0.918 41.080 42.059 -0.101 0.000 0.895 279 L HN 0.299 nan 8.230 nan 0.000 0.433 280 T N -2.889 111.691 114.554 0.043 0.000 2.684 280 T HA -0.252 4.098 4.350 -0.000 0.000 0.267 280 T C 2.041 176.829 174.700 0.147 0.000 1.036 280 T CA 1.559 63.740 62.100 0.136 0.000 1.148 280 T CB -0.500 68.465 68.868 0.160 0.000 0.863 280 T HN 0.294 nan 8.240 nan 0.000 0.436 281 K N 0.669 121.125 120.400 0.094 0.000 2.001 281 K HA -0.110 4.210 4.320 -0.000 0.000 0.214 281 K C 2.877 179.519 176.600 0.070 0.000 1.050 281 K CA 1.671 58.004 56.287 0.078 0.000 0.934 281 K CB -0.623 31.906 32.500 0.049 0.000 0.718 281 K HN 0.367 nan 8.250 nan 0.000 0.443 282 S N 0.637 116.373 115.700 0.060 0.000 2.380 282 S HA -0.212 4.258 4.470 -0.000 0.000 0.229 282 S C 1.705 176.337 174.600 0.054 0.000 1.050 282 S CA 1.693 59.923 58.200 0.049 0.000 1.100 282 S CB -0.470 62.760 63.200 0.050 0.000 0.984 282 S HN 0.267 nan 8.310 nan 0.000 0.434 283 F N 1.254 121.133 119.950 -0.117 0.000 2.154 283 F HA -0.027 4.500 4.527 -0.000 0.000 0.301 283 F C 2.060 177.730 175.800 -0.215 0.000 1.087 283 F CA 1.537 59.402 58.000 -0.225 0.000 1.274 283 F CB -0.521 38.292 39.000 -0.311 0.000 1.009 283 F HN 0.419 nan 8.300 nan 0.000 0.485 284 G N -2.329 106.484 108.800 0.023 0.000 2.376 284 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.208 284 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.208 284 G C -0.209 174.839 174.900 0.246 0.000 1.032 284 G CA -0.118 45.016 45.100 0.056 0.000 0.641 284 G HN 0.081 nan 8.290 nan 0.000 0.503 285 W N 2.666 123.981 121.300 0.025 0.000 2.419 285 W HA 0.694 5.353 4.660 -0.000 0.000 0.312 285 W C 0.915 177.514 176.519 0.134 0.000 1.323 285 W CA -0.056 57.272 57.345 -0.028 0.000 1.293 285 W CB 0.097 29.374 29.460 -0.304 0.000 1.324 285 W HN 0.402 nan 8.180 nan 0.000 0.512 286 E N 0.754 121.155 120.200 0.334 0.000 2.676 286 E HA 0.085 4.434 4.350 -0.000 0.000 0.225 286 E C 0.276 177.017 176.600 0.234 0.000 0.944 286 E CA 0.107 56.685 56.400 0.296 0.000 1.156 286 E CB 0.911 30.720 29.700 0.180 0.000 1.117 286 E HN 0.127 nan 8.360 nan 0.000 0.523 287 T N 0.511 115.196 114.554 0.219 0.000 2.919 287 T HA 0.290 4.640 4.350 -0.000 0.000 0.282 287 T C 0.927 175.732 174.700 0.175 0.000 1.020 287 T CA -0.624 61.559 62.100 0.139 0.000 0.994 287 T CB 1.742 70.649 68.868 0.065 0.000 1.180 287 T HN -0.024 nan 8.240 nan 0.000 0.566 288 L N 0.791 122.066 121.223 0.087 0.000 2.049 288 L HA -0.012 4.328 4.340 -0.000 0.000 0.203 288 L C 1.657 178.553 176.870 0.043 0.000 1.074 288 L CA 1.759 56.639 54.840 0.066 0.000 0.749 288 L CB -0.314 41.761 42.059 0.026 0.000 0.907 288 L HN 0.813 nan 8.230 nan 0.000 0.439 289 D N -2.104 118.294 120.400 -0.004 0.000 2.358 289 D HA -0.101 4.539 4.640 -0.000 0.000 0.241 289 D C 1.600 177.824 176.300 -0.128 0.000 1.094 289 D CA 0.282 54.246 54.000 -0.059 0.000 0.907 289 D CB 0.363 41.124 40.800 -0.065 0.000 0.893 289 D HN -0.006 nan 8.370 nan 0.000 0.528 290 S N -1.105 114.532 115.700 -0.106 0.000 2.427 290 S HA 0.159 4.629 4.470 -0.000 0.000 0.224 290 S C 1.025 175.344 174.600 -0.468 0.000 1.047 290 S CA -0.117 57.906 58.200 -0.293 0.000 0.953 290 S CB -0.166 62.918 63.200 -0.193 0.000 0.824 290 S HN 0.271 nan 8.310 nan 0.000 0.502 291 F N 1.035 120.851 119.950 -0.223 0.000 2.615 291 F HA 0.219 4.746 4.527 -0.000 0.000 0.297 291 F C 2.109 177.823 175.800 -0.143 0.000 1.124 291 F CA 0.459 58.344 58.000 -0.192 0.000 1.451 291 F CB -0.049 38.776 39.000 -0.292 0.000 1.103 291 F HN 0.163 nan 8.300 nan 0.000 0.569 292 M N -0.648 118.932 119.600 -0.034 0.000 2.349 292 M HA -0.113 4.367 4.480 -0.000 0.000 0.266 292 M C 1.395 177.594 176.300 -0.168 0.000 1.076 292 M CA 1.387 56.647 55.300 -0.068 0.000 1.126 292 M CB -0.782 31.775 32.600 -0.073 0.000 1.392 292 M HN 0.190 nan 8.290 nan 0.000 0.440 293 Q N -0.483 119.114 119.800 -0.338 0.000 2.373 293 Q HA 0.023 4.362 4.340 -0.000 0.000 0.206 293 Q C -0.373 175.103 176.000 -0.874 0.000 0.942 293 Q CA 0.355 55.824 55.803 -0.556 0.000 0.953 293 Q CB 0.294 28.635 28.738 -0.661 0.000 1.022 293 Q HN 0.441 nan 8.270 nan 0.000 0.502 294 H N -1.059 117.903 119.070 -0.179 0.000 2.990 294 H HA 0.371 4.927 4.556 -0.000 0.000 0.343 294 H C -1.087 174.282 175.328 0.068 0.000 1.270 294 H CA -0.720 55.280 56.048 -0.079 0.000 1.118 294 H CB 1.774 31.410 29.762 -0.210 0.000 1.861 294 H HN -0.058 nan 8.280 nan 0.000 0.544 295 D N 0.749 121.265 120.400 0.192 0.000 2.619 295 D HA 0.157 4.797 4.640 -0.000 0.000 0.241 295 D C 1.722 177.916 176.300 -0.177 0.000 1.087 295 D CA -0.457 53.522 54.000 -0.035 0.000 0.851 295 D CB 3.206 44.012 40.800 0.010 0.000 1.474 295 D HN 0.326 nan 8.370 nan 0.000 0.478 296 V N 2.316 121.854 119.914 -0.626 0.000 2.295 296 V HA -0.460 3.659 4.120 -0.000 0.000 0.261 296 V C 1.939 177.971 176.094 -0.102 0.000 1.097 296 V CA 2.275 64.298 62.300 -0.462 0.000 1.100 296 V CB -1.518 30.171 31.823 -0.224 0.000 0.737 296 V HN 0.622 nan 8.190 nan 0.000 0.458 297 Q N 0.639 120.422 119.800 -0.028 0.000 2.082 297 Q HA -0.280 4.059 4.340 -0.000 0.000 0.211 297 Q C 2.274 178.315 176.000 0.068 0.000 1.002 297 Q CA 2.591 58.423 55.803 0.049 0.000 0.868 297 Q CB -0.457 28.325 28.738 0.073 0.000 0.931 297 Q HN 0.853 nan 8.270 nan 0.000 0.414 298 E N 0.511 120.778 120.200 0.112 0.000 2.028 298 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 298 E C 1.994 178.661 176.600 0.111 0.000 0.988 298 E CA 0.681 57.158 56.400 0.129 0.000 0.799 298 E CB -0.273 29.556 29.700 0.215 0.000 0.755 298 E HN 0.238 nan 8.360 nan 0.000 0.447 299 L N 1.040 122.381 121.223 0.196 0.000 2.263 299 L HA -0.193 4.146 4.340 -0.000 0.000 0.216 299 L C 2.099 178.948 176.870 -0.036 0.000 1.111 299 L CA 1.306 56.193 54.840 0.077 0.000 0.773 299 L CB -0.357 41.906 42.059 0.339 0.000 0.906 299 L HN 0.377 nan 8.230 nan 0.000 0.439 300 C N -0.864 118.435 119.300 -0.001 0.000 2.611 300 C HA 0.045 4.505 4.460 -0.000 0.000 0.282 300 C C 2.854 177.794 174.990 -0.084 0.000 1.321 300 C CA -0.187 58.806 59.018 -0.042 0.000 1.747 300 C CB -0.405 27.337 27.740 0.003 0.000 2.124 300 C HN 0.437 nan 8.230 nan 0.000 0.531 301 R N 0.123 120.583 120.500 -0.068 0.000 2.112 301 R HA 0.022 4.361 4.340 -0.000 0.000 0.216 301 R C 2.037 178.269 176.300 -0.114 0.000 1.080 301 R CA 1.164 57.175 56.100 -0.147 0.000 0.996 301 R CB -0.233 29.985 30.300 -0.137 0.000 0.902 301 R HN 0.425 nan 8.270 nan 0.000 0.449 302 V N 1.761 121.652 119.914 -0.039 0.000 2.295 302 V HA -0.266 3.853 4.120 -0.000 0.000 0.246 302 V C 2.310 178.443 176.094 0.064 0.000 1.049 302 V CA 1.542 63.835 62.300 -0.011 0.000 1.024 302 V CB -0.506 31.313 31.823 -0.006 0.000 0.648 302 V HN 0.236 nan 8.190 nan 0.000 0.447 303 L N -0.338 120.937 121.223 0.087 0.000 1.973 303 L HA -0.098 4.241 4.340 -0.000 0.000 0.208 303 L C 2.245 179.101 176.870 -0.024 0.000 1.073 303 L CA 1.861 56.718 54.840 0.027 0.000 0.746 303 L CB -0.737 41.197 42.059 -0.208 0.000 0.891 303 L HN 0.156 nan 8.230 nan 0.000 0.433 304 L N -0.311 120.864 121.223 -0.080 0.000 2.129 304 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 304 L C 2.263 179.095 176.870 -0.063 0.000 1.087 304 L CA 1.927 56.718 54.840 -0.082 0.000 0.757 304 L CB -0.810 41.138 42.059 -0.186 0.000 0.896 304 L HN 0.487 nan 8.230 nan 0.000 0.434 305 D N -0.103 120.240 120.400 -0.095 0.000 2.149 305 D HA -0.203 4.436 4.640 -0.000 0.000 0.201 305 D C 1.877 178.152 176.300 -0.042 0.000 0.972 305 D CA 1.153 55.100 54.000 -0.088 0.000 0.835 305 D CB 0.055 40.782 40.800 -0.122 0.000 0.966 305 D HN 0.163 nan 8.370 nan 0.000 0.476 306 N N -1.031 117.655 118.700 -0.024 0.000 2.223 306 N HA -0.120 4.620 4.740 -0.000 0.000 0.185 306 N C 1.581 177.092 175.510 0.002 0.000 1.016 306 N CA 0.950 53.993 53.050 -0.012 0.000 0.863 306 N CB 0.119 38.616 38.487 0.016 0.000 0.983 306 N HN 0.033 nan 8.380 nan 0.000 0.429 307 V N 0.427 120.348 119.914 0.011 0.000 2.283 307 V HA -0.143 3.977 4.120 -0.000 0.000 0.243 307 V C 2.195 178.304 176.094 0.025 0.000 1.039 307 V CA 1.609 63.924 62.300 0.025 0.000 1.016 307 V CB -0.496 31.352 31.823 0.042 0.000 0.650 307 V HN 0.382 nan 8.190 nan 0.000 0.449 308 E N 0.070 120.285 120.200 0.024 0.000 2.051 308 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 308 E C 2.105 178.717 176.600 0.019 0.000 0.991 308 E CA 1.156 57.575 56.400 0.031 0.000 0.799 308 E CB -0.204 29.522 29.700 0.043 0.000 0.748 308 E HN 0.475 nan 8.360 nan 0.000 0.449 309 N N 0.706 119.411 118.700 0.007 0.000 2.503 309 N HA -0.200 4.539 4.740 -0.000 0.000 0.189 309 N C 1.558 177.070 175.510 0.005 0.000 1.048 309 N CA 1.007 54.059 53.050 0.002 0.000 0.905 309 N CB 0.010 38.490 38.487 -0.010 0.000 0.951 309 N HN 0.053 nan 8.380 nan 0.000 0.446 310 K N -0.060 120.345 120.400 0.009 0.000 2.242 310 K HA 0.204 4.524 4.320 -0.000 0.000 0.200 310 K C 1.530 178.139 176.600 0.016 0.000 1.050 310 K CA 0.470 56.763 56.287 0.011 0.000 0.981 310 K CB 0.163 32.672 32.500 0.015 0.000 0.795 310 K HN 0.051 nan 8.250 nan 0.000 0.477 311 M N 1.220 120.832 119.600 0.020 0.000 2.568 311 M HA 0.062 4.541 4.480 -0.000 0.000 0.226 311 M C 1.296 177.606 176.300 0.018 0.000 1.148 311 M CA 0.309 55.622 55.300 0.021 0.000 1.007 311 M CB 0.103 32.719 32.600 0.026 0.000 1.651 311 M HN 0.080 nan 8.290 nan 0.000 0.488 312 K N 1.090 121.499 120.400 0.015 0.000 2.001 312 K HA -0.042 4.278 4.320 -0.000 0.000 0.208 312 K C 1.520 178.126 176.600 0.010 0.000 1.048 312 K CA 1.748 58.043 56.287 0.013 0.000 0.932 312 K CB -0.513 31.993 32.500 0.011 0.000 0.715 312 K HN 0.250 nan 8.250 nan 0.000 0.437 313 G N 1.405 110.210 108.800 0.009 0.000 3.424 313 G HA2 0.082 4.042 3.960 -0.000 0.000 0.263 313 G HA3 0.082 4.042 3.960 -0.000 0.000 0.263 313 G C -0.138 174.766 174.900 0.007 0.000 1.310 313 G CA 0.245 45.349 45.100 0.007 0.000 1.089 313 G HN 0.576 nan 8.290 nan 0.000 0.534 314 T N -3.651 110.908 114.554 0.009 0.000 2.888 314 T HA 0.221 4.570 4.350 -0.000 0.000 0.288 314 T C 1.665 176.370 174.700 0.007 0.000 1.063 314 T CA 0.033 62.139 62.100 0.009 0.000 1.010 314 T CB 1.124 70.000 68.868 0.013 0.000 1.214 314 T HN 0.407 nan 8.240 nan 0.000 0.533 315 C N 1.232 120.536 119.300 0.007 0.000 2.485 315 C HA 0.324 4.784 4.460 -0.000 0.000 0.283 315 C C 1.347 176.339 174.990 0.003 0.000 1.478 315 C CA 0.222 59.242 59.018 0.004 0.000 1.741 315 C CB -2.220 25.522 27.740 0.003 0.000 1.675 315 C HN 0.868 nan 8.230 nan 0.000 0.573 316 V N -2.203 117.714 119.914 0.006 0.000 2.778 316 V HA 0.370 4.489 4.120 -0.000 0.000 0.356 316 V C 0.041 176.139 176.094 0.007 0.000 1.283 316 V CA -0.282 62.021 62.300 0.004 0.000 1.247 316 V CB -0.732 31.095 31.823 0.006 0.000 1.408 316 V HN 0.542 nan 8.190 nan 0.000 0.620 317 E N 1.360 121.565 120.200 0.007 0.000 2.354 317 E HA 0.483 4.832 4.350 -0.000 0.000 0.269 317 E C 1.270 177.877 176.600 0.011 0.000 1.036 317 E CA 0.627 57.034 56.400 0.012 0.000 0.876 317 E CB 1.095 30.801 29.700 0.010 0.000 1.009 317 E HN 0.979 nan 8.360 nan 0.000 0.416 318 G N 3.273 112.087 108.800 0.023 0.000 2.155 318 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 318 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 318 G C 0.853 175.765 174.900 0.020 0.000 0.983 318 G CA 0.675 45.792 45.100 0.027 0.000 0.676 318 G HN 0.630 nan 8.290 nan 0.000 0.528 319 T N 0.135 114.702 114.554 0.021 0.000 2.962 319 T HA 0.086 4.436 4.350 -0.000 0.000 0.270 319 T C 2.375 177.093 174.700 0.030 0.000 1.088 319 T CA 1.340 63.441 62.100 0.003 0.000 1.127 319 T CB -0.034 68.834 68.868 0.000 0.000 0.883 319 T HN 0.517 nan 8.240 nan 0.000 0.493 320 I N 0.395 121.037 120.570 0.119 0.000 3.035 320 I HA 0.050 4.220 4.170 -0.000 0.000 0.271 320 I C -1.053 175.264 176.117 0.333 0.000 1.190 320 I CA 0.162 61.636 61.300 0.290 0.000 1.472 320 I CB -0.312 37.864 38.000 0.294 0.000 1.116 320 I HN 0.099 nan 8.210 nan 0.000 0.443 321 P HA -0.001 nan 4.420 nan 0.000 0.228 321 P C 1.395 178.665 177.300 -0.051 0.000 1.166 321 P CA 0.899 64.067 63.100 0.112 0.000 0.812 321 P CB 0.115 31.873 31.700 0.095 0.000 0.857 322 K N -0.917 119.449 120.400 -0.056 0.000 2.288 322 K HA 0.008 4.327 4.320 -0.000 0.000 0.201 322 K C 1.321 177.801 176.600 -0.200 0.000 1.048 322 K CA 0.869 57.089 56.287 -0.111 0.000 0.956 322 K CB -0.234 32.214 32.500 -0.087 0.000 0.746 322 K HN 0.087 nan 8.250 nan 0.000 0.461 323 L N -1.592 119.453 121.223 -0.297 0.000 2.388 323 L HA 0.112 4.452 4.340 -0.000 0.000 0.209 323 L C 1.124 177.498 176.870 -0.826 0.000 1.061 323 L CA 1.249 55.699 54.840 -0.651 0.000 0.834 323 L CB 0.267 41.719 42.059 -1.012 0.000 1.029 323 L HN 0.029 nan 8.230 nan 0.000 0.473 324 F N -2.082 117.826 119.950 -0.071 0.000 2.740 324 F HA 0.305 4.832 4.527 -0.000 0.000 0.304 324 F C 1.187 176.764 175.800 -0.372 0.000 1.098 324 F CA -0.548 57.385 58.000 -0.113 0.000 1.258 324 F CB 0.047 39.074 39.000 0.046 0.000 1.061 324 F HN -0.293 nan 8.300 nan 0.000 0.598 325 R N 2.117 122.309 120.500 -0.515 0.000 2.421 325 R HA 0.392 4.732 4.340 -0.000 0.000 0.305 325 R C -0.103 175.788 176.300 -0.682 0.000 1.039 325 R CA 0.211 55.713 56.100 -0.997 0.000 1.003 325 R CB 0.147 29.898 30.300 -0.916 0.000 0.959 325 R HN 0.298 nan 8.270 nan 0.000 0.427 326 G N 3.019 111.214 108.800 -1.008 0.000 2.537 326 G HA2 0.422 4.382 3.960 -0.000 0.000 0.323 326 G HA3 0.422 4.382 3.960 -0.000 0.000 0.323 326 G C -1.281 173.168 174.900 -0.752 0.000 1.207 326 G CA -0.628 43.835 45.100 -1.062 0.000 0.976 326 G HN 0.455 nan 8.290 nan 0.000 0.487 327 K N -0.088 120.224 120.400 -0.147 0.000 2.345 327 K HA 0.615 4.935 4.320 -0.000 0.000 0.255 327 K C -0.216 176.567 176.600 0.305 0.000 0.934 327 K CA -0.374 55.962 56.287 0.082 0.000 0.801 327 K CB 1.930 34.443 32.500 0.022 0.000 1.137 327 K HN 0.664 nan 8.250 nan 0.000 0.424 328 M N 0.271 120.006 119.600 0.224 0.000 2.531 328 M HA 0.642 5.121 4.480 -0.000 0.000 0.286 328 M C -1.509 174.749 176.300 -0.069 0.000 1.232 328 M CA -1.033 54.279 55.300 0.020 0.000 0.877 328 M CB 2.012 34.487 32.600 -0.208 0.000 1.726 328 M HN 0.154 nan 8.290 nan 0.000 0.463 329 V N 1.789 121.613 119.914 -0.151 0.000 2.604 329 V HA 0.716 4.835 4.120 -0.000 0.000 0.305 329 V C -0.450 175.437 176.094 -0.345 0.000 1.043 329 V CA -0.520 61.621 62.300 -0.265 0.000 0.888 329 V CB 2.110 33.727 31.823 -0.344 0.000 0.995 329 V HN 0.978 nan 8.190 nan 0.000 0.429 330 S N 4.130 119.607 115.700 -0.372 0.000 2.474 330 S HA 0.634 5.103 4.470 -0.000 0.000 0.321 330 S C -1.206 173.193 174.600 -0.334 0.000 1.080 330 S CA -0.515 57.533 58.200 -0.254 0.000 1.106 330 S CB 0.352 63.478 63.200 -0.123 0.000 0.984 330 S HN 0.510 nan 8.310 nan 0.000 0.464 331 Y N 3.685 123.978 120.300 -0.010 0.000 2.434 331 Y HA 0.499 5.049 4.550 -0.000 0.000 0.341 331 Y C 0.226 176.122 175.900 -0.006 0.000 0.965 331 Y CA -0.808 57.284 58.100 -0.013 0.000 1.205 331 Y CB 0.758 39.211 38.460 -0.010 0.000 1.121 331 Y HN 0.569 nan 8.280 nan 0.000 0.507 332 I N 3.728 124.358 120.570 0.101 0.000 2.354 332 I HA 0.288 4.457 4.170 -0.000 0.000 0.292 332 I C -0.565 175.586 176.117 0.057 0.000 0.989 332 I CA -0.653 60.691 61.300 0.073 0.000 1.188 332 I CB 1.820 39.851 38.000 0.052 0.000 1.342 332 I HN 0.523 nan 8.210 nan 0.000 0.457 333 Q N 5.064 124.904 119.800 0.067 0.000 2.330 333 Q HA 0.370 4.710 4.340 -0.000 0.000 0.269 333 Q C -1.378 174.671 176.000 0.081 0.000 1.022 333 Q CA -0.608 55.228 55.803 0.056 0.000 0.796 333 Q CB 2.072 30.838 28.738 0.047 0.000 1.271 333 Q HN 0.676 nan 8.270 nan 0.000 0.450 334 C N 4.858 124.219 119.300 0.102 0.000 2.540 334 C HA 0.103 4.563 4.460 -0.000 0.000 0.377 334 C C 1.551 176.597 174.990 0.094 0.000 1.274 334 C CA -0.161 58.934 59.018 0.128 0.000 1.718 334 C CB -0.555 27.298 27.740 0.188 0.000 2.391 334 C HN 0.955 nan 8.230 nan 0.000 0.565 335 K N 1.669 122.123 120.400 0.090 0.000 2.113 335 K HA -0.201 4.118 4.320 -0.000 0.000 0.208 335 K C 1.484 178.121 176.600 0.062 0.000 1.047 335 K CA 1.898 58.228 56.287 0.072 0.000 0.928 335 K CB 0.227 32.774 32.500 0.078 0.000 0.716 335 K HN 0.744 nan 8.250 nan 0.000 0.446 336 E N -0.692 119.547 120.200 0.066 0.000 2.256 336 E HA 0.055 4.405 4.350 -0.000 0.000 0.198 336 E C 0.158 176.777 176.600 0.032 0.000 0.908 336 E CA -0.046 56.382 56.400 0.046 0.000 0.915 336 E CB 0.745 30.472 29.700 0.046 0.000 0.890 336 E HN -0.107 nan 8.360 nan 0.000 0.484 337 V N 1.743 121.677 119.914 0.034 0.000 3.096 337 V HA 0.089 4.209 4.120 -0.000 0.000 0.319 337 V C -0.233 175.885 176.094 0.039 0.000 1.082 337 V CA -0.813 61.491 62.300 0.007 0.000 1.022 337 V CB 1.584 33.379 31.823 -0.047 0.000 1.103 337 V HN 0.126 nan 8.190 nan 0.000 0.455 338 D N 1.523 121.934 120.400 0.019 0.000 2.374 338 D HA 0.241 4.880 4.640 -0.000 0.000 0.240 338 D C -1.296 175.087 176.300 0.140 0.000 1.229 338 D CA 0.322 54.353 54.000 0.052 0.000 0.895 338 D CB -0.215 40.600 40.800 0.025 0.000 1.046 338 D HN 0.443 nan 8.370 nan 0.000 0.498 339 Y N 3.058 123.345 120.300 -0.021 0.000 2.393 339 Y HA 0.255 4.805 4.550 -0.000 0.000 0.320 339 Y C -1.288 174.648 175.900 0.059 0.000 1.241 339 Y CA -0.822 57.288 58.100 0.016 0.000 1.122 339 Y CB 0.814 39.280 38.460 0.011 0.000 1.322 339 Y HN 0.509 nan 8.280 nan 0.000 0.441 340 R N 1.944 122.146 120.500 -0.496 0.000 2.810 340 R HA 0.916 5.256 4.340 -0.000 0.000 0.266 340 R C -1.620 174.373 176.300 -0.512 0.000 1.061 340 R CA -1.262 54.651 56.100 -0.312 0.000 0.943 340 R CB 2.029 32.265 30.300 -0.106 0.000 1.237 340 R HN 0.548 nan 8.270 nan 0.000 0.459 341 S N 0.559 116.120 115.700 -0.233 0.000 2.392 341 S HA 0.152 4.622 4.470 -0.000 0.000 0.246 341 S C -1.852 172.702 174.600 -0.077 0.000 0.999 341 S CA -0.886 57.204 58.200 -0.184 0.000 1.059 341 S CB 0.436 63.521 63.200 -0.192 0.000 1.194 341 S HN 0.631 nan 8.310 nan 0.000 0.421 342 D N 4.454 124.825 120.400 -0.047 0.000 2.249 342 D HA 0.318 4.957 4.640 -0.000 0.000 0.246 342 D C -0.216 175.989 176.300 -0.160 0.000 1.114 342 D CA -0.564 53.339 54.000 -0.160 0.000 0.854 342 D CB 0.921 41.587 40.800 -0.225 0.000 1.132 342 D HN 0.411 nan 8.370 nan 0.000 0.461 343 R N 2.059 122.450 120.500 -0.180 0.000 2.360 343 R HA 0.318 4.658 4.340 -0.000 0.000 0.318 343 R C -0.030 176.190 176.300 -0.135 0.000 0.950 343 R CA -0.809 55.223 56.100 -0.112 0.000 0.837 343 R CB 2.373 32.637 30.300 -0.061 0.000 1.165 343 R HN 0.275 nan 8.270 nan 0.000 0.458 344 R N 1.928 122.369 120.500 -0.099 0.000 2.340 344 R HA 0.100 4.439 4.340 -0.000 0.000 0.300 344 R C -0.532 175.753 176.300 -0.024 0.000 1.069 344 R CA 0.246 56.302 56.100 -0.074 0.000 0.984 344 R CB 0.801 31.074 30.300 -0.046 0.000 1.003 344 R HN 0.589 nan 8.270 nan 0.000 0.459 345 E N 1.976 122.177 120.200 0.002 0.000 2.340 345 E HA 0.187 4.537 4.350 -0.000 0.000 0.273 345 E C -1.493 175.167 176.600 0.101 0.000 0.891 345 E CA -0.914 55.517 56.400 0.052 0.000 0.757 345 E CB 1.501 31.236 29.700 0.059 0.000 1.231 345 E HN 0.473 nan 8.360 nan 0.000 0.439 346 D N 2.201 122.659 120.400 0.097 0.000 2.210 346 D HA 0.228 4.868 4.640 -0.000 0.000 0.249 346 D C -1.102 175.296 176.300 0.163 0.000 1.078 346 D CA 0.261 54.289 54.000 0.047 0.000 0.875 346 D CB 0.580 41.414 40.800 0.056 0.000 1.175 346 D HN 0.302 nan 8.370 nan 0.000 0.440 347 Y N -0.290 120.019 120.300 0.015 0.000 2.421 347 Y HA 0.434 4.984 4.550 -0.000 0.000 0.339 347 Y C -0.923 175.015 175.900 0.064 0.000 0.996 347 Y CA -1.028 57.145 58.100 0.121 0.000 1.046 347 Y CB 0.514 39.047 38.460 0.122 0.000 1.226 347 Y HN 0.259 nan 8.280 nan 0.000 0.445 348 Y N 1.622 122.035 120.300 0.188 0.000 2.467 348 Y HA 0.255 4.805 4.550 -0.000 0.000 0.250 348 Y C -0.606 175.438 175.900 0.239 0.000 1.155 348 Y CA -0.540 57.638 58.100 0.130 0.000 1.249 348 Y CB 0.555 39.062 38.460 0.078 0.000 1.146 348 Y HN 0.757 nan 8.280 nan 0.000 0.524 349 D N -1.186 119.520 120.400 0.510 0.000 2.609 349 D HA 0.395 5.035 4.640 -0.000 0.000 0.239 349 D C -1.085 175.446 176.300 0.385 0.000 1.229 349 D CA -0.480 53.781 54.000 0.436 0.000 0.808 349 D CB 1.274 42.279 40.800 0.341 0.000 1.448 349 D HN -0.150 nan 8.370 nan 0.000 0.433 350 I N 0.222 120.962 120.570 0.284 0.000 2.465 350 I HA 0.277 4.447 4.170 -0.000 0.000 0.291 350 I C -0.771 175.417 176.117 0.119 0.000 1.014 350 I CA -0.819 60.596 61.300 0.192 0.000 1.093 350 I CB 1.960 40.055 38.000 0.158 0.000 1.267 350 I HN 0.310 nan 8.210 nan 0.000 0.431 351 Q N 5.361 125.213 119.800 0.087 0.000 2.462 351 Q HA 0.449 4.789 4.340 -0.000 0.000 0.247 351 Q C -1.054 174.891 176.000 -0.091 0.000 1.044 351 Q CA -0.678 55.125 55.803 0.001 0.000 0.803 351 Q CB 1.633 30.372 28.738 0.002 0.000 1.190 351 Q HN 0.366 nan 8.270 nan 0.000 0.507 352 L N 1.668 122.818 121.223 -0.122 0.000 2.417 352 L HA 0.318 4.658 4.340 -0.000 0.000 0.268 352 L C 0.400 177.142 176.870 -0.213 0.000 1.158 352 L CA 0.296 55.018 54.840 -0.196 0.000 0.819 352 L CB 1.228 43.147 42.059 -0.234 0.000 1.112 352 L HN 0.584 nan 8.230 nan 0.000 0.458 353 S N 1.967 117.544 115.700 -0.204 0.000 2.585 353 S HA 0.594 5.064 4.470 -0.000 0.000 0.277 353 S C 0.496 174.988 174.600 -0.180 0.000 1.241 353 S CA -0.576 57.524 58.200 -0.168 0.000 1.041 353 S CB 1.456 64.579 63.200 -0.128 0.000 0.987 353 S HN 0.459 nan 8.310 nan 0.000 0.512 354 I N -1.462 119.000 120.570 -0.182 0.000 4.922 354 I HA 0.244 4.413 4.170 -0.000 0.000 0.331 354 I C 1.749 177.852 176.117 -0.022 0.000 1.260 354 I CA -0.336 60.847 61.300 -0.194 0.000 1.366 354 I CB -0.911 36.777 38.000 -0.519 0.000 1.386 354 I HN 0.617 nan 8.210 nan 0.000 0.483 355 K N 3.423 123.803 120.400 -0.034 0.000 2.056 355 K HA -0.203 4.117 4.320 -0.000 0.000 0.225 355 K C 1.447 178.069 176.600 0.036 0.000 1.053 355 K CA 2.599 58.886 56.287 0.000 0.000 0.966 355 K CB -1.894 30.601 32.500 -0.009 0.000 0.735 355 K HN 0.514 nan 8.250 nan 0.000 0.455 356 G N 1.835 110.662 108.800 0.046 0.000 3.707 356 G HA2 0.154 4.114 3.960 -0.000 0.000 0.286 356 G HA3 0.154 4.114 3.960 -0.000 0.000 0.286 356 G C 0.031 174.985 174.900 0.089 0.000 1.112 356 G CA -0.535 44.599 45.100 0.057 0.000 0.861 356 G HN 0.140 nan 8.290 nan 0.000 0.534 357 K N -0.254 120.234 120.400 0.146 0.000 2.393 357 K HA 0.554 4.874 4.320 -0.000 0.000 0.241 357 K C 0.359 177.079 176.600 0.201 0.000 1.055 357 K CA -0.779 55.633 56.287 0.207 0.000 0.951 357 K CB 1.829 34.527 32.500 0.329 0.000 1.285 357 K HN 0.070 nan 8.250 nan 0.000 0.500 358 K N -0.533 119.918 120.400 0.086 0.000 2.665 358 K HA 0.159 4.479 4.320 -0.000 0.000 0.197 358 K C -0.117 176.148 176.600 -0.558 0.000 1.463 358 K CA 0.019 56.221 56.287 -0.142 0.000 1.107 358 K CB 0.757 33.181 32.500 -0.127 0.000 1.584 358 K HN 0.347 nan 8.250 nan 0.000 0.558 359 N N 0.985 119.420 118.700 -0.442 0.000 2.328 359 N HA 0.272 5.012 4.740 -0.000 0.000 0.299 359 N C 0.837 176.206 175.510 -0.234 0.000 1.179 359 N CA -0.337 52.412 53.050 -0.502 0.000 0.793 359 N CB 1.691 40.077 38.487 -0.168 0.000 1.366 359 N HN 0.005 nan 8.380 nan 0.000 0.493 360 I N 0.742 121.276 120.570 -0.060 0.000 2.315 360 I HA -0.294 3.876 4.170 -0.000 0.000 0.251 360 I C 2.006 178.366 176.117 0.404 0.000 1.125 360 I CA 1.301 62.821 61.300 0.367 0.000 1.392 360 I CB -0.240 37.983 38.000 0.372 0.000 1.065 360 I HN 0.569 nan 8.210 nan 0.000 0.424 361 F N 2.217 122.285 119.950 0.197 0.000 2.011 361 F HA -0.311 4.216 4.527 -0.000 0.000 0.296 361 F C 2.607 178.584 175.800 0.295 0.000 1.144 361 F CA 1.932 60.101 58.000 0.282 0.000 1.185 361 F CB -0.191 38.914 39.000 0.175 0.000 0.961 361 F HN 0.026 nan 8.300 nan 0.000 0.485 362 E N 0.006 120.618 120.200 0.687 0.000 2.086 362 E HA -0.261 4.089 4.350 -0.000 0.000 0.200 362 E C 2.257 179.088 176.600 0.386 0.000 1.012 362 E CA 1.779 58.468 56.400 0.482 0.000 0.812 362 E CB -0.461 29.384 29.700 0.242 0.000 0.743 362 E HN 0.404 nan 8.360 nan 0.000 0.453 363 S N 0.091 116.000 115.700 0.347 0.000 2.400 363 S HA -0.132 4.338 4.470 -0.000 0.000 0.232 363 S C 1.595 176.248 174.600 0.089 0.000 1.025 363 S CA 0.957 59.282 58.200 0.208 0.000 0.993 363 S CB -0.244 63.086 63.200 0.217 0.000 0.808 363 S HN 0.224 nan 8.310 nan 0.000 0.478 364 F N 0.372 120.348 119.950 0.044 0.000 2.118 364 F HA -0.029 4.497 4.527 -0.000 0.000 0.293 364 F C 2.438 178.207 175.800 -0.052 0.000 1.102 364 F CA 0.735 58.565 58.000 -0.283 0.000 1.247 364 F CB -0.360 37.934 39.000 -1.178 0.000 1.017 364 F HN -0.008 nan 8.300 nan 0.000 0.475 365 V N 0.127 120.327 119.914 0.477 0.000 2.490 365 V HA -0.314 3.806 4.120 -0.000 0.000 0.250 365 V C 1.765 178.075 176.094 0.361 0.000 1.061 365 V CA 2.439 65.070 62.300 0.551 0.000 1.064 365 V CB -0.394 31.732 31.823 0.506 0.000 0.670 365 V HN 0.345 nan 8.190 nan 0.000 0.461 366 D N -1.639 118.939 120.400 0.297 0.000 2.264 366 D HA -0.220 4.420 4.640 -0.000 0.000 0.208 366 D C 1.869 178.299 176.300 0.216 0.000 0.966 366 D CA 1.082 55.209 54.000 0.211 0.000 0.864 366 D CB -0.140 40.754 40.800 0.157 0.000 0.933 366 D HN 0.580 nan 8.370 nan 0.000 0.499 367 Y N 0.398 120.749 120.300 0.085 0.000 2.243 367 Y HA 0.010 4.560 4.550 -0.000 0.000 0.293 367 Y C 1.970 177.921 175.900 0.084 0.000 1.124 367 Y CA 1.235 59.359 58.100 0.039 0.000 1.159 367 Y CB -0.330 38.124 38.460 -0.010 0.000 1.008 367 Y HN 0.008 nan 8.280 nan 0.000 0.527 368 V N -1.144 118.997 119.914 0.379 0.000 3.649 368 V HA 0.439 4.559 4.120 -0.000 0.000 0.275 368 V C 1.117 177.349 176.094 0.230 0.000 1.281 368 V CA -0.000 62.466 62.300 0.278 0.000 1.143 368 V CB -1.760 30.273 31.823 0.349 0.000 0.892 368 V HN 0.304 nan 8.190 nan 0.000 0.441 369 A N 0.677 123.632 122.820 0.226 0.000 2.445 369 A HA 0.538 4.857 4.320 -0.000 0.000 0.242 369 A C 0.234 177.898 177.584 0.134 0.000 1.075 369 A CA -0.117 52.021 52.037 0.169 0.000 0.777 369 A CB 0.386 19.481 19.000 0.158 0.000 1.013 369 A HN 0.330 nan 8.150 nan 0.000 0.493 370 V N 2.371 122.348 119.914 0.105 0.000 2.521 370 V HA 0.135 4.255 4.120 -0.000 0.000 0.286 370 V C 0.653 176.792 176.094 0.075 0.000 1.034 370 V CA 0.136 62.488 62.300 0.087 0.000 1.045 370 V CB 0.567 32.432 31.823 0.071 0.000 0.974 370 V HN 0.978 nan 8.190 nan 0.000 0.480 371 E N 4.133 124.375 120.200 0.069 0.000 2.214 371 E HA 0.322 4.672 4.350 -0.000 0.000 0.274 371 E C -0.786 175.840 176.600 0.044 0.000 0.977 371 E CA -0.778 55.652 56.400 0.051 0.000 0.827 371 E CB 1.109 30.834 29.700 0.042 0.000 1.130 371 E HN 0.612 nan 8.360 nan 0.000 0.394 372 Q N 3.784 123.602 119.800 0.031 0.000 2.347 372 Q HA 0.227 4.567 4.340 -0.000 0.000 0.262 372 Q C -0.225 175.783 176.000 0.013 0.000 0.980 372 Q CA -0.365 55.453 55.803 0.025 0.000 0.867 372 Q CB 1.502 30.250 28.738 0.016 0.000 1.242 372 Q HN 0.620 nan 8.270 nan 0.000 0.453 373 L N 1.715 122.954 121.223 0.027 0.000 2.805 373 L HA 0.126 4.466 4.340 -0.000 0.000 0.237 373 L C 0.669 177.529 176.870 -0.016 0.000 1.252 373 L CA 0.022 54.875 54.840 0.022 0.000 1.064 373 L CB 0.031 42.132 42.059 0.070 0.000 1.361 373 L HN 0.398 nan 8.230 nan 0.000 0.474 374 D N 1.802 122.177 120.400 -0.041 0.000 2.336 374 D HA 0.444 5.083 4.640 -0.000 0.000 0.249 374 D C 0.218 176.409 176.300 -0.182 0.000 1.213 374 D CA 0.482 54.433 54.000 -0.082 0.000 0.870 374 D CB 0.979 41.761 40.800 -0.030 0.000 1.076 374 D HN 0.300 nan 8.370 nan 0.000 0.483 375 G N 3.767 112.333 108.800 -0.390 0.000 2.317 375 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.445 375 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.445 375 G C 0.425 174.833 174.900 -0.820 0.000 1.486 375 G CA -0.014 44.831 45.100 -0.424 0.000 0.991 375 G HN 0.416 nan 8.290 nan 0.000 0.660 376 D N -0.157 119.923 120.400 -0.533 0.000 2.269 376 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 376 D C 1.585 177.812 176.300 -0.121 0.000 0.963 376 D CA 1.573 55.362 54.000 -0.351 0.000 0.864 376 D CB -0.134 40.662 40.800 -0.007 0.000 0.936 376 D HN 0.485 nan 8.370 nan 0.000 0.505 377 N N 0.406 119.026 118.700 -0.134 0.000 2.250 377 N HA -0.117 4.623 4.740 -0.000 0.000 0.181 377 N C 1.128 176.624 175.510 -0.023 0.000 1.017 377 N CA 0.836 53.860 53.050 -0.044 0.000 0.866 377 N CB -0.208 38.256 38.487 -0.039 0.000 0.985 377 N HN 0.024 nan 8.380 nan 0.000 0.429 378 K N -0.800 119.557 120.400 -0.071 0.000 2.758 378 K HA 0.186 4.506 4.320 -0.000 0.000 0.208 378 K C -0.934 175.691 176.600 0.042 0.000 1.091 378 K CA -0.455 55.826 56.287 -0.010 0.000 1.059 378 K CB 0.092 32.581 32.500 -0.018 0.000 0.801 378 K HN 0.150 nan 8.250 nan 0.000 0.470 379 Y N 1.346 121.662 120.300 0.026 0.000 2.652 379 Y HA -0.145 4.405 4.550 -0.000 0.000 0.344 379 Y C 1.018 176.939 175.900 0.036 0.000 1.254 379 Y CA 0.119 58.238 58.100 0.031 0.000 1.480 379 Y CB 0.448 38.925 38.460 0.028 0.000 1.345 379 Y HN 0.203 nan 8.280 nan 0.000 0.617 380 D N 1.582 122.133 120.400 0.252 0.000 2.264 380 D HA 0.163 4.803 4.640 -0.000 0.000 0.250 380 D C 0.151 176.514 176.300 0.106 0.000 1.113 380 D CA -0.009 54.082 54.000 0.152 0.000 0.871 380 D CB 1.715 42.607 40.800 0.154 0.000 1.167 380 D HN 0.692 nan 8.370 nan 0.000 0.447 381 A N 3.155 126.023 122.820 0.080 0.000 2.239 381 A HA 0.160 4.480 4.320 -0.000 0.000 0.209 381 A C 1.391 178.992 177.584 0.027 0.000 1.171 381 A CA 0.452 52.516 52.037 0.045 0.000 0.768 381 A CB -0.479 18.543 19.000 0.036 0.000 0.790 381 A HN 0.601 nan 8.150 nan 0.000 0.478 382 G N 0.366 109.204 108.800 0.064 0.000 2.401 382 G HA2 0.151 4.110 3.960 -0.000 0.000 0.288 382 G HA3 0.151 4.110 3.960 -0.000 0.000 0.288 382 G C 0.808 175.633 174.900 -0.125 0.000 0.917 382 G CA 0.576 45.704 45.100 0.045 0.000 1.610 382 G HN 0.437 nan 8.290 nan 0.000 0.439 383 E N 1.875 121.972 120.200 -0.172 0.000 2.826 383 E HA -0.398 3.952 4.350 -0.000 0.000 0.239 383 E C 1.559 178.009 176.600 -0.251 0.000 0.999 383 E CA 2.419 58.674 56.400 -0.242 0.000 1.650 383 E CB -0.692 28.809 29.700 -0.331 0.000 1.543 383 E HN 0.789 nan 8.360 nan 0.000 0.437 384 H N 0.054 118.992 119.070 -0.220 0.000 2.538 384 H HA 0.033 4.589 4.556 -0.000 0.000 0.295 384 H C 1.377 176.617 175.328 -0.146 0.000 1.095 384 H CA 1.593 57.507 56.048 -0.224 0.000 1.216 384 H CB -0.600 28.951 29.762 -0.351 0.000 1.355 384 H HN 0.452 nan 8.280 nan 0.000 0.567 385 G N -0.074 108.700 108.800 -0.043 0.000 2.592 385 G HA2 -0.087 3.872 3.960 -0.000 0.000 0.685 385 G HA3 -0.087 3.872 3.960 -0.000 0.000 0.685 385 G C -0.238 174.623 174.900 -0.064 0.000 1.278 385 G CA -0.495 44.570 45.100 -0.059 0.000 0.822 385 G HN 0.424 nan 8.290 nan 0.000 0.652 386 L N -0.311 120.855 121.223 -0.094 0.000 2.678 386 L HA 0.641 4.981 4.340 -0.000 0.000 0.276 386 L C 0.213 176.952 176.870 -0.218 0.000 1.142 386 L CA -0.279 54.504 54.840 -0.095 0.000 0.961 386 L CB 0.365 42.374 42.059 -0.083 0.000 1.291 386 L HN 0.585 nan 8.230 nan 0.000 0.476 387 Q N 2.811 122.574 119.800 -0.062 0.000 2.204 387 Q HA 0.357 4.697 4.340 -0.000 0.000 0.254 387 Q C -0.694 175.417 176.000 0.185 0.000 0.981 387 Q CA -0.519 55.269 55.803 -0.025 0.000 0.897 387 Q CB 1.653 30.436 28.738 0.074 0.000 1.273 387 Q HN 0.778 nan 8.270 nan 0.000 0.464 388 E N 0.471 120.842 120.200 0.285 0.000 2.301 388 E HA 0.692 5.042 4.350 -0.000 0.000 0.275 388 E C -1.000 175.718 176.600 0.196 0.000 1.030 388 E CA -0.747 55.870 56.400 0.362 0.000 0.852 388 E CB 1.420 31.336 29.700 0.360 0.000 1.060 388 E HN 0.517 nan 8.360 nan 0.000 0.401 389 A N 2.694 125.607 122.820 0.156 0.000 2.534 389 A HA 0.572 4.891 4.320 -0.000 0.000 0.300 389 A C -1.390 176.246 177.584 0.087 0.000 1.223 389 A CA -0.941 51.166 52.037 0.117 0.000 0.666 389 A CB 1.376 20.453 19.000 0.128 0.000 1.316 389 A HN 0.639 nan 8.150 nan 0.000 0.468 390 E N -0.265 119.981 120.200 0.077 0.000 2.288 390 E HA 0.596 4.946 4.350 -0.000 0.000 0.268 390 E C -1.132 175.511 176.600 0.072 0.000 0.885 390 E CA -0.665 55.775 56.400 0.065 0.000 0.767 390 E CB 2.186 31.921 29.700 0.057 0.000 1.220 390 E HN 0.636 nan 8.360 nan 0.000 0.427 391 K N -0.563 119.880 120.400 0.071 0.000 2.527 391 K HA 0.834 5.153 4.320 -0.000 0.000 0.260 391 K C -0.904 175.749 176.600 0.089 0.000 0.937 391 K CA -0.962 55.373 56.287 0.080 0.000 0.826 391 K CB 1.998 34.537 32.500 0.066 0.000 1.359 391 K HN 0.535 nan 8.250 nan 0.000 0.434 392 G N 0.882 109.749 108.800 0.111 0.000 2.682 392 G HA2 0.614 4.574 3.960 -0.000 0.000 0.300 392 G HA3 0.614 4.574 3.960 -0.000 0.000 0.300 392 G C -1.632 173.336 174.900 0.113 0.000 1.391 392 G CA -0.878 44.294 45.100 0.120 0.000 0.990 392 G HN 0.428 nan 8.290 nan 0.000 0.501 393 V N 1.109 121.069 119.914 0.078 0.000 2.604 393 V HA 0.702 4.822 4.120 -0.000 0.000 0.305 393 V C -0.303 175.726 176.094 -0.108 0.000 1.043 393 V CA -0.885 61.396 62.300 -0.033 0.000 0.888 393 V CB 2.009 33.798 31.823 -0.056 0.000 0.995 393 V HN 0.747 nan 8.190 nan 0.000 0.429 394 K N 2.334 122.647 120.400 -0.144 0.000 2.426 394 K HA 0.698 5.017 4.320 -0.000 0.000 0.251 394 K C -1.411 175.077 176.600 -0.187 0.000 0.941 394 K CA -0.399 55.832 56.287 -0.094 0.000 0.808 394 K CB 1.850 34.405 32.500 0.091 0.000 1.265 394 K HN 0.420 nan 8.250 nan 0.000 0.432 395 F N 3.742 123.688 119.950 -0.008 0.000 2.394 395 F HA 0.276 4.803 4.527 -0.000 0.000 0.340 395 F C 1.132 176.963 175.800 0.052 0.000 1.105 395 F CA -0.407 57.604 58.000 0.017 0.000 1.124 395 F CB 0.693 39.687 39.000 -0.008 0.000 1.145 395 F HN 0.299 nan 8.300 nan 0.000 0.505 396 L N 0.474 121.851 121.223 0.257 0.000 2.262 396 L HA 0.176 4.516 4.340 -0.000 0.000 0.197 396 L C 0.935 177.892 176.870 0.146 0.000 1.073 396 L CA 0.524 55.459 54.840 0.158 0.000 0.800 396 L CB -0.078 42.044 42.059 0.106 0.000 0.987 396 L HN 0.639 nan 8.230 nan 0.000 0.470 397 T N -0.210 114.445 114.554 0.168 0.000 2.906 397 T HA 0.617 4.967 4.350 -0.000 0.000 0.295 397 T C -1.206 173.584 174.700 0.149 0.000 1.061 397 T CA -0.493 61.671 62.100 0.107 0.000 1.000 397 T CB 1.831 70.715 68.868 0.028 0.000 1.103 397 T HN -0.011 nan 8.240 nan 0.000 0.486 398 L N 4.214 125.492 121.223 0.092 0.000 2.343 398 L HA 0.467 4.807 4.340 -0.000 0.000 0.278 398 L C -2.251 174.676 176.870 0.095 0.000 0.996 398 L CA -2.288 52.606 54.840 0.090 0.000 0.831 398 L CB 2.175 44.240 42.059 0.011 0.000 1.232 398 L HN 0.564 nan 8.230 nan 0.000 0.413 399 P HA -0.033 nan 4.420 nan 0.000 0.269 399 P C -2.092 175.278 177.300 0.116 0.000 1.200 399 P CA -0.650 62.439 63.100 -0.017 0.000 0.779 399 P CB 0.101 31.762 31.700 -0.065 0.000 0.841 400 P HA -0.085 nan 4.420 nan 0.000 0.216 400 P C 0.142 177.491 177.300 0.081 0.000 1.153 400 P CA 1.148 64.234 63.100 -0.023 0.000 0.848 400 P CB 0.249 31.860 31.700 -0.148 0.000 0.787 401 V N 0.342 120.275 119.914 0.031 0.000 2.407 401 V HA 0.338 4.458 4.120 -0.000 0.000 0.291 401 V C -0.933 175.304 176.094 0.238 0.000 1.018 401 V CA -1.139 61.244 62.300 0.139 0.000 0.842 401 V CB 0.790 32.612 31.823 -0.002 0.000 0.996 401 V HN -0.171 nan 8.190 nan 0.000 0.426 402 L N 6.534 127.960 121.223 0.337 0.000 2.290 402 L HA 0.534 4.873 4.340 -0.000 0.000 0.284 402 L C -0.712 176.440 176.870 0.470 0.000 1.078 402 L CA -0.521 54.496 54.840 0.294 0.000 0.815 402 L CB 0.789 42.903 42.059 0.092 0.000 1.162 402 L HN 0.730 nan 8.230 nan 0.000 0.435 403 H N 5.458 124.685 119.070 0.262 0.000 2.690 403 H HA 0.382 4.937 4.556 -0.000 0.000 0.280 403 H C -0.744 174.686 175.328 0.171 0.000 1.138 403 H CA -0.359 55.814 56.048 0.209 0.000 1.241 403 H CB 0.527 30.407 29.762 0.198 0.000 1.394 403 H HN 0.347 nan 8.280 nan 0.000 0.489 404 L N 3.784 125.139 121.223 0.221 0.000 2.283 404 L HA 0.352 4.692 4.340 -0.000 0.000 0.281 404 L C -0.052 176.837 176.870 0.032 0.000 1.033 404 L CA -0.593 54.325 54.840 0.129 0.000 0.848 404 L CB 0.923 43.070 42.059 0.146 0.000 1.226 404 L HN 0.359 nan 8.230 nan 0.000 0.429 405 Q N 3.979 123.788 119.800 0.016 0.000 2.296 405 Q HA 0.483 4.823 4.340 -0.000 0.000 0.257 405 Q C -0.812 175.165 176.000 -0.038 0.000 0.942 405 Q CA -0.268 55.519 55.803 -0.026 0.000 0.939 405 Q CB 1.670 30.419 28.738 0.018 0.000 1.198 405 Q HN 0.531 nan 8.270 nan 0.000 0.429 406 L N 2.757 123.936 121.223 -0.074 0.000 2.313 406 L HA 0.202 4.541 4.340 -0.000 0.000 0.282 406 L C 0.275 177.080 176.870 -0.108 0.000 1.092 406 L CA -0.553 54.197 54.840 -0.150 0.000 0.831 406 L CB 0.224 42.150 42.059 -0.221 0.000 1.159 406 L HN 0.595 nan 8.230 nan 0.000 0.442 407 M N 3.655 123.178 119.600 -0.127 0.000 3.698 407 M HA 0.035 4.515 4.480 -0.000 0.000 0.183 407 M C 1.282 177.517 176.300 -0.109 0.000 1.633 407 M CA 0.796 56.051 55.300 -0.074 0.000 1.740 407 M CB -0.818 31.738 32.600 -0.073 0.000 1.191 407 M HN 0.375 nan 8.290 nan 0.000 0.535 408 R N -0.103 120.290 120.500 -0.179 0.000 2.161 408 R HA 0.066 4.406 4.340 -0.000 0.000 0.213 408 R C -0.178 175.976 176.300 -0.244 0.000 1.055 408 R CA 0.630 56.567 56.100 -0.271 0.000 0.996 408 R CB 0.323 30.374 30.300 -0.415 0.000 0.901 408 R HN 0.275 nan 8.270 nan 0.000 0.456 409 F N 1.066 121.033 119.950 0.030 0.000 2.567 409 F HA 0.291 4.818 4.527 -0.000 0.000 0.352 409 F C 0.209 176.030 175.800 0.035 0.000 1.229 409 F CA 0.106 58.123 58.000 0.029 0.000 1.228 409 F CB 0.155 39.161 39.000 0.009 0.000 1.568 409 F HN -0.122 nan 8.300 nan 0.000 0.634 410 M N 2.716 122.424 119.600 0.180 0.000 2.393 410 M HA 0.326 4.806 4.480 -0.000 0.000 0.316 410 M C -1.481 174.921 176.300 0.170 0.000 1.087 410 M CA -1.116 54.270 55.300 0.144 0.000 0.937 410 M CB 1.862 34.503 32.600 0.068 0.000 1.668 410 M HN 0.372 nan 8.290 nan 0.000 0.438 411 Y N 4.750 125.076 120.300 0.043 0.000 2.535 411 Y HA 0.348 4.898 4.550 -0.000 0.000 0.349 411 Y C -0.984 174.927 175.900 0.018 0.000 0.992 411 Y CA -0.345 57.773 58.100 0.031 0.000 1.248 411 Y CB 0.231 38.703 38.460 0.020 0.000 1.124 411 Y HN 0.577 nan 8.280 nan 0.000 0.520 412 D N 7.786 128.044 120.400 -0.237 0.000 2.340 412 D HA 0.379 5.019 4.640 -0.000 0.000 0.251 412 D C -2.745 173.205 176.300 -0.585 0.000 1.080 412 D CA -1.396 52.457 54.000 -0.244 0.000 0.971 412 D CB 1.631 42.355 40.800 -0.127 0.000 1.137 412 D HN 0.367 nan 8.370 nan 0.000 0.475 413 P HA 0.283 nan 4.420 nan 0.000 0.307 413 P C -0.661 176.470 177.300 -0.281 0.000 1.417 413 P CA -0.572 62.186 63.100 -0.571 0.000 0.973 413 P CB 1.821 33.233 31.700 -0.480 0.000 1.048 414 Q N 0.689 120.329 119.800 -0.268 0.000 2.198 414 Q HA 0.061 4.401 4.340 -0.000 0.000 0.209 414 Q C 0.791 176.731 176.000 -0.100 0.000 0.848 414 Q CA -0.075 55.653 55.803 -0.125 0.000 0.974 414 Q CB -0.234 28.449 28.738 -0.091 0.000 1.115 414 Q HN 0.526 nan 8.270 nan 0.000 0.494 415 T N 2.678 117.126 114.554 -0.177 0.000 3.414 415 T HA -0.209 4.140 4.350 -0.000 0.000 0.377 415 T C -0.512 174.258 174.700 0.116 0.000 0.767 415 T CA 1.444 63.551 62.100 0.011 0.000 1.894 415 T CB -1.013 67.909 68.868 0.090 0.000 1.781 415 T HN 0.409 nan 8.240 nan 0.000 0.643 416 D N 1.014 121.455 120.400 0.069 0.000 2.336 416 D HA 0.397 5.037 4.640 -0.000 0.000 0.248 416 D C -0.247 176.106 176.300 0.088 0.000 1.326 416 D CA -0.074 53.970 54.000 0.075 0.000 0.973 416 D CB 0.573 41.389 40.800 0.027 0.000 1.255 416 D HN 0.703 nan 8.370 nan 0.000 0.558 417 Q N 0.967 120.861 119.800 0.156 0.000 0.320 417 Q HA -0.208 4.132 4.340 -0.000 0.000 0.245 417 Q C -1.100 175.063 176.000 0.271 0.000 1.095 417 Q CA 0.351 56.248 55.803 0.156 0.000 0.210 417 Q CB -0.356 28.432 28.738 0.085 0.000 5.644 417 Q HN 0.611 nan 8.270 nan 0.000 0.290 418 N N 0.420 119.248 118.700 0.214 0.000 2.459 418 N HA 0.836 5.576 4.740 -0.000 0.000 0.288 418 N C -0.398 175.210 175.510 0.164 0.000 1.186 418 N CA -0.520 52.675 53.050 0.243 0.000 0.917 418 N CB 1.193 39.782 38.487 0.170 0.000 1.219 418 N HN 0.552 nan 8.380 nan 0.000 0.525 419 I N -3.532 117.143 120.570 0.174 0.000 3.264 419 I HA 0.593 4.763 4.170 -0.000 0.000 0.315 419 I C -1.322 174.946 176.117 0.252 0.000 1.154 419 I CA -0.996 60.406 61.300 0.171 0.000 0.962 419 I CB 2.476 40.531 38.000 0.091 0.000 1.265 419 I HN 0.306 nan 8.210 nan 0.000 0.463 420 K N 2.663 123.197 120.400 0.224 0.000 2.274 420 K HA 0.550 4.870 4.320 -0.000 0.000 0.262 420 K C -0.927 175.689 176.600 0.027 0.000 0.961 420 K CA -0.667 55.705 56.287 0.141 0.000 0.833 420 K CB 1.546 34.169 32.500 0.205 0.000 1.102 420 K HN 0.695 nan 8.250 nan 0.000 0.436 421 I N 5.155 125.701 120.570 -0.039 0.000 2.320 421 I HA -0.017 4.153 4.170 -0.000 0.000 0.283 421 I C 0.489 176.590 176.117 -0.026 0.000 1.086 421 I CA -0.539 60.746 61.300 -0.025 0.000 1.539 421 I CB -0.489 37.491 38.000 -0.034 0.000 1.504 421 I HN 0.639 nan 8.210 nan 0.000 0.661 422 N N 0.720 119.415 118.700 -0.008 0.000 2.661 422 N HA -0.179 4.561 4.740 -0.000 0.000 0.196 422 N C 0.351 175.882 175.510 0.035 0.000 1.129 422 N CA 0.609 53.666 53.050 0.011 0.000 0.938 422 N CB -0.727 37.773 38.487 0.021 0.000 0.966 422 N HN 0.363 nan 8.380 nan 0.000 0.450 423 D N 0.724 121.144 120.400 0.033 0.000 2.307 423 D HA -0.098 4.542 4.640 -0.000 0.000 0.234 423 D C 0.502 176.854 176.300 0.086 0.000 1.308 423 D CA 0.125 54.155 54.000 0.050 0.000 0.886 423 D CB 0.529 41.356 40.800 0.044 0.000 1.202 423 D HN 0.238 nan 8.370 nan 0.000 0.479 424 R N -0.377 120.177 120.500 0.090 0.000 2.531 424 R HA 0.453 4.793 4.340 -0.000 0.000 0.273 424 R C -1.124 175.297 176.300 0.202 0.000 1.070 424 R CA -0.320 55.849 56.100 0.116 0.000 1.112 424 R CB 0.453 30.782 30.300 0.047 0.000 1.049 424 R HN 0.400 nan 8.270 nan 0.000 0.508 425 F N 1.824 121.777 119.950 0.005 0.000 2.704 425 F HA 0.217 4.744 4.527 -0.000 0.000 0.312 425 F C -1.867 173.895 175.800 -0.062 0.000 1.108 425 F CA -0.555 57.441 58.000 -0.007 0.000 1.005 425 F CB 1.428 40.466 39.000 0.064 0.000 1.277 425 F HN 0.677 nan 8.300 nan 0.000 0.445 426 E N 4.585 124.285 120.200 -0.833 0.000 2.317 426 E HA 0.663 5.013 4.350 -0.000 0.000 0.270 426 E C -1.681 174.653 176.600 -0.442 0.000 0.885 426 E CA -0.958 54.865 56.400 -0.963 0.000 0.760 426 E CB 2.762 31.342 29.700 -1.866 0.000 1.227 426 E HN 0.423 nan 8.360 nan 0.000 0.434 427 F N -0.799 119.232 119.950 0.135 0.000 2.546 427 F HA 0.728 5.255 4.527 -0.000 0.000 0.320 427 F C -2.696 173.336 175.800 0.387 0.000 1.076 427 F CA -2.952 55.239 58.000 0.318 0.000 0.928 427 F CB 1.252 40.549 39.000 0.495 0.000 1.189 427 F HN 0.211 nan 8.300 nan 0.000 0.465 428 P HA 0.205 nan 4.420 nan 0.000 0.285 428 P C -0.226 177.397 177.300 0.538 0.000 1.269 428 P CA -0.379 62.949 63.100 0.380 0.000 0.844 428 P CB 2.191 34.067 31.700 0.293 0.000 1.094 429 E N 1.090 121.520 120.200 0.383 0.000 2.047 429 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 429 E C 0.501 177.380 176.600 0.465 0.000 0.987 429 E CA 0.691 57.335 56.400 0.406 0.000 0.799 429 E CB -0.027 29.855 29.700 0.304 0.000 0.752 429 E HN 0.454 nan 8.360 nan 0.000 0.449 430 Q N 0.595 120.616 119.800 0.368 0.000 2.271 430 Q HA 0.419 4.759 4.340 -0.000 0.000 0.258 430 Q C -1.713 174.472 176.000 0.307 0.000 0.936 430 Q CA -0.803 55.194 55.803 0.324 0.000 0.909 430 Q CB 1.433 30.298 28.738 0.211 0.000 1.253 430 Q HN 0.295 nan 8.270 nan 0.000 0.440 431 L N 6.705 128.092 121.223 0.274 0.000 2.401 431 L HA 0.557 4.897 4.340 -0.000 0.000 0.263 431 L C -2.723 174.205 176.870 0.096 0.000 1.004 431 L CA -1.887 53.024 54.840 0.118 0.000 0.881 431 L CB 1.682 43.616 42.059 -0.208 0.000 1.219 431 L HN 0.489 nan 8.230 nan 0.000 0.441 432 P HA 0.282 nan 4.420 nan 0.000 0.276 432 P C -0.263 177.032 177.300 -0.008 0.000 1.235 432 P CA -0.074 63.055 63.100 0.049 0.000 0.772 432 P CB 1.231 32.954 31.700 0.038 0.000 0.871 433 L N 2.180 123.389 121.223 -0.023 0.000 3.217 433 L HA 0.188 4.528 4.340 -0.000 0.000 0.288 433 L C 1.430 178.240 176.870 -0.101 0.000 1.202 433 L CA 0.555 55.332 54.840 -0.105 0.000 1.027 433 L CB -0.163 41.711 42.059 -0.308 0.000 1.427 433 L HN 0.185 nan 8.230 nan 0.000 0.600 434 D N 1.385 121.738 120.400 -0.078 0.000 2.191 434 D HA -0.268 4.372 4.640 -0.000 0.000 0.195 434 D C 1.501 177.709 176.300 -0.154 0.000 1.003 434 D CA 1.627 55.576 54.000 -0.084 0.000 0.867 434 D CB 0.301 41.063 40.800 -0.064 0.000 0.926 434 D HN 0.660 nan 8.370 nan 0.000 0.450 435 E N -1.526 118.500 120.200 -0.291 0.000 2.365 435 E HA -0.024 4.325 4.350 -0.000 0.000 0.188 435 E C 0.673 176.861 176.600 -0.688 0.000 1.102 435 E CA 0.047 56.177 56.400 -0.450 0.000 0.927 435 E CB -0.447 28.931 29.700 -0.537 0.000 1.073 435 E HN 0.329 nan 8.360 nan 0.000 0.467 436 F N -0.253 119.565 119.950 -0.219 0.000 2.784 436 F HA 0.245 4.772 4.527 -0.000 0.000 0.323 436 F C 0.551 176.332 175.800 -0.031 0.000 1.085 436 F CA -0.790 57.100 58.000 -0.184 0.000 1.196 436 F CB 0.596 39.325 39.000 -0.452 0.000 1.053 436 F HN -0.041 nan 8.300 nan 0.000 0.578 437 L N -0.289 120.982 121.223 0.080 0.000 2.540 437 L HA 0.235 4.575 4.340 -0.000 0.000 0.215 437 L C 1.344 178.270 176.870 0.092 0.000 1.204 437 L CA 0.361 55.271 54.840 0.118 0.000 0.841 437 L CB -0.049 42.045 42.059 0.059 0.000 1.420 437 L HN -0.009 nan 8.230 nan 0.000 0.519 438 Q N -0.511 119.342 119.800 0.088 0.000 2.674 438 Q HA 0.220 4.560 4.340 -0.000 0.000 0.357 438 Q C -0.243 175.777 176.000 0.034 0.000 1.089 438 Q CA -0.143 55.699 55.803 0.064 0.000 0.577 438 Q CB 0.252 29.037 28.738 0.079 0.000 4.433 438 Q HN 0.372 nan 8.270 nan 0.000 0.364 439 K N 0.870 121.289 120.400 0.032 0.000 2.319 439 K HA 0.068 4.388 4.320 -0.000 0.000 0.265 439 K C 0.287 176.895 176.600 0.013 0.000 1.000 439 K CA 0.367 56.664 56.287 0.017 0.000 0.943 439 K CB 1.078 33.588 32.500 0.017 0.000 0.950 439 K HN 0.530 nan 8.250 nan 0.000 0.485 440 T N -2.074 112.480 114.554 0.001 0.000 2.909 440 T HA 0.277 4.627 4.350 -0.000 0.000 0.251 440 T C -0.626 174.071 174.700 -0.004 0.000 1.119 440 T CA -0.373 61.725 62.100 -0.004 0.000 1.009 440 T CB 0.788 69.645 68.868 -0.018 0.000 2.376 440 T HN 0.562 nan 8.240 nan 0.000 0.526 441 D N 0.057 120.451 120.400 -0.010 0.000 2.369 441 D HA 0.267 4.906 4.640 -0.000 0.000 0.185 441 D C -2.688 173.603 176.300 -0.015 0.000 1.253 441 D CA -0.876 53.118 54.000 -0.010 0.000 1.107 441 D CB 0.685 41.480 40.800 -0.009 0.000 1.588 441 D HN 0.153 nan 8.370 nan 0.000 0.561 442 P HA -0.114 nan 4.420 nan 0.000 0.231 442 P C 0.853 178.143 177.300 -0.017 0.000 1.154 442 P CA 0.896 63.987 63.100 -0.016 0.000 0.762 442 P CB 0.423 32.115 31.700 -0.013 0.000 0.790 443 K N -0.819 119.571 120.400 -0.018 0.000 2.240 443 K HA 0.047 4.367 4.320 -0.000 0.000 0.202 443 K C 0.474 177.058 176.600 -0.027 0.000 1.053 443 K CA 0.707 56.982 56.287 -0.021 0.000 0.973 443 K CB -0.058 32.430 32.500 -0.019 0.000 0.924 443 K HN -0.161 nan 8.250 nan 0.000 0.477 444 D N 1.340 121.723 120.400 -0.029 0.000 2.590 444 D HA 0.253 4.893 4.640 -0.000 0.000 0.280 444 D C -2.593 173.684 176.300 -0.038 0.000 1.197 444 D CA -2.398 51.579 54.000 -0.039 0.000 0.967 444 D CB 0.567 41.344 40.800 -0.039 0.000 0.987 444 D HN -0.051 nan 8.370 nan 0.000 0.508 445 P HA 0.171 nan 4.420 nan 0.000 0.267 445 P C -0.697 176.579 177.300 -0.041 0.000 1.200 445 P CA -0.261 62.819 63.100 -0.033 0.000 0.772 445 P CB 0.850 32.531 31.700 -0.031 0.000 0.855 446 A N 3.008 125.829 122.820 0.002 0.000 3.078 446 A HA 0.208 4.528 4.320 -0.000 0.000 0.279 446 A C -0.165 177.499 177.584 0.133 0.000 1.594 446 A CA -0.235 51.857 52.037 0.091 0.000 1.301 446 A CB -1.032 18.052 19.000 0.140 0.000 1.162 446 A HN 0.403 nan 8.150 nan 0.000 0.585 447 N N 0.848 119.539 118.700 -0.014 0.000 2.392 447 N HA 0.486 5.226 4.740 -0.000 0.000 0.283 447 N C -1.557 173.917 175.510 -0.059 0.000 1.003 447 N CA 0.014 53.093 53.050 0.049 0.000 0.892 447 N CB 1.370 39.862 38.487 0.008 0.000 1.193 447 N HN 0.410 nan 8.380 nan 0.000 0.487 448 Y N 0.944 121.273 120.300 0.049 0.000 2.446 448 Y HA 0.522 5.072 4.550 -0.000 0.000 0.338 448 Y C 0.034 176.125 175.900 0.319 0.000 1.055 448 Y CA -0.834 57.359 58.100 0.155 0.000 1.101 448 Y CB 1.346 39.886 38.460 0.134 0.000 1.221 448 Y HN 0.311 nan 8.280 nan 0.000 0.460 449 I N 3.026 123.850 120.570 0.424 0.000 2.378 449 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 449 I C -0.390 175.944 176.117 0.362 0.000 0.992 449 I CA -0.658 60.865 61.300 0.373 0.000 1.154 449 I CB 1.336 39.452 38.000 0.193 0.000 1.315 449 I HN 0.468 nan 8.210 nan 0.000 0.448 450 L N 5.924 127.308 121.223 0.268 0.000 2.540 450 L HA 0.002 4.342 4.340 -0.000 0.000 0.276 450 L C 0.946 177.880 176.870 0.107 0.000 1.212 450 L CA 0.600 55.411 54.840 -0.048 0.000 0.893 450 L CB 0.290 42.421 42.059 0.120 0.000 1.138 450 L HN 0.772 nan 8.230 nan 0.000 0.491 451 H N 3.965 122.991 119.070 -0.075 0.000 2.408 451 H HA 0.366 4.922 4.556 -0.000 0.000 0.271 451 H C -0.216 175.020 175.328 -0.153 0.000 0.957 451 H CA 0.570 56.532 56.048 -0.143 0.000 1.170 451 H CB 1.211 30.956 29.762 -0.028 0.000 1.458 451 H HN 0.673 nan 8.280 nan 0.000 0.491 452 A N 1.125 123.982 122.820 0.061 0.000 2.539 452 A HA 0.502 4.822 4.320 -0.000 0.000 0.296 452 A C -1.652 176.019 177.584 0.144 0.000 1.073 452 A CA -0.341 51.777 52.037 0.135 0.000 0.700 452 A CB 2.052 21.098 19.000 0.077 0.000 1.296 452 A HN 0.122 nan 8.150 nan 0.000 0.405 453 V N 3.107 123.143 119.914 0.204 0.000 2.501 453 V HA 0.546 4.666 4.120 -0.000 0.000 0.277 453 V C -1.615 174.520 176.094 0.069 0.000 1.004 453 V CA -0.526 61.771 62.300 -0.004 0.000 0.862 453 V CB 0.573 32.322 31.823 -0.123 0.000 1.035 453 V HN 0.747 nan 8.190 nan 0.000 0.448 454 L N 6.729 127.912 121.223 -0.067 0.000 2.410 454 L HA 0.463 4.803 4.340 -0.000 0.000 0.273 454 L C 0.301 177.280 176.870 0.182 0.000 1.144 454 L CA 0.700 55.550 54.840 0.016 0.000 0.863 454 L CB 1.098 42.993 42.059 -0.273 0.000 1.140 454 L HN 0.476 nan 8.230 nan 0.000 0.463 455 V N 3.240 123.461 119.914 0.511 0.000 2.769 455 V HA 0.501 4.621 4.120 -0.000 0.000 0.312 455 V C -0.586 175.881 176.094 0.622 0.000 1.058 455 V CA -0.602 62.022 62.300 0.539 0.000 0.952 455 V CB 2.006 34.056 31.823 0.377 0.000 1.019 455 V HN 0.826 nan 8.190 nan 0.000 0.445 456 H N 2.215 121.464 119.070 0.299 0.000 2.771 456 H HA 0.505 5.061 4.556 -0.000 0.000 0.361 456 H C -1.056 174.272 175.328 -0.001 0.000 1.108 456 H CA -0.298 55.776 56.048 0.043 0.000 1.201 456 H CB 2.217 31.949 29.762 -0.049 0.000 1.681 456 H HN 0.661 nan 8.280 nan 0.000 0.534 457 S N 3.000 118.285 115.700 -0.692 0.000 2.651 457 S HA 0.702 5.171 4.470 -0.000 0.000 0.291 457 S C 0.324 174.446 174.600 -0.796 0.000 1.141 457 S CA 0.684 58.565 58.200 -0.533 0.000 1.027 457 S CB 0.985 64.022 63.200 -0.271 0.000 1.043 457 S HN 1.229 nan 8.310 nan 0.000 0.530 458 G N 2.515 111.088 108.800 -0.379 0.000 2.693 458 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.226 458 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.226 458 G C -1.570 173.288 174.900 -0.071 0.000 1.354 458 G CA 0.085 45.050 45.100 -0.227 0.000 0.873 458 G HN 0.845 nan 8.290 nan 0.000 0.562 459 D N 1.135 121.573 120.400 0.062 0.000 2.468 459 D HA 0.528 5.168 4.640 -0.000 0.000 0.272 459 D C 0.624 177.050 176.300 0.209 0.000 1.221 459 D CA -0.024 54.102 54.000 0.210 0.000 0.860 459 D CB 0.395 41.278 40.800 0.138 0.000 1.190 459 D HN 0.782 nan 8.370 nan 0.000 0.509 460 N N 0.626 119.481 118.700 0.258 0.000 1.317 460 N HA -0.280 4.459 4.740 -0.000 0.000 0.141 460 N C -0.128 175.448 175.510 0.111 0.000 0.873 460 N CA 0.883 53.988 53.050 0.092 0.000 0.939 460 N CB -0.884 37.648 38.487 0.076 0.000 1.141 460 N HN 0.675 nan 8.380 nan 0.000 0.581 461 H N 1.096 120.176 119.070 0.017 0.000 4.859 461 H HA 0.198 4.753 4.556 -0.000 0.000 0.148 461 H C 0.672 176.009 175.328 0.015 0.000 0.529 461 H CA 2.122 58.177 56.048 0.012 0.000 1.290 461 H CB -1.146 28.621 29.762 0.009 0.000 1.465 461 H HN 1.051 nan 8.280 nan 0.000 0.916 462 G N 2.448 111.166 108.800 -0.138 0.000 2.587 462 G HA2 0.142 4.101 3.960 -0.000 0.000 0.216 462 G HA3 0.142 4.101 3.960 -0.000 0.000 0.216 462 G C -0.079 174.757 174.900 -0.106 0.000 1.124 462 G CA -0.371 44.618 45.100 -0.186 0.000 0.858 462 G HN 1.038 nan 8.290 nan 0.000 0.523 463 G N -0.184 108.593 108.800 -0.039 0.000 2.617 463 G HA2 0.633 4.592 3.960 -0.000 0.000 0.306 463 G HA3 0.633 4.592 3.960 -0.000 0.000 0.306 463 G C -1.261 173.573 174.900 -0.109 0.000 1.360 463 G CA -0.581 44.470 45.100 -0.081 0.000 0.983 463 G HN 0.519 nan 8.290 nan 0.000 0.496 464 H N 1.988 120.858 119.070 -0.333 0.000 2.727 464 H HA 0.428 4.984 4.556 -0.000 0.000 0.330 464 H C -1.039 174.203 175.328 -0.145 0.000 0.986 464 H CA -0.391 55.562 56.048 -0.158 0.000 1.251 464 H CB 1.132 30.806 29.762 -0.146 0.000 1.493 464 H HN 0.409 nan 8.280 nan 0.000 0.515 465 Y N 2.935 123.254 120.300 0.031 0.000 2.374 465 Y HA 0.472 5.021 4.550 -0.000 0.000 0.322 465 Y C 0.355 176.355 175.900 0.167 0.000 1.275 465 Y CA -0.570 57.635 58.100 0.175 0.000 1.307 465 Y CB 1.091 39.657 38.460 0.177 0.000 1.282 465 Y HN 0.248 nan 8.280 nan 0.000 0.509 466 V N 0.836 121.006 119.914 0.425 0.000 3.216 466 V HA 0.603 4.723 4.120 -0.000 0.000 0.302 466 V C -1.449 174.860 176.094 0.360 0.000 1.286 466 V CA -0.949 61.545 62.300 0.324 0.000 1.048 466 V CB 2.691 34.679 31.823 0.275 0.000 1.081 466 V HN 0.537 nan 8.190 nan 0.000 0.442 467 V N 2.206 122.286 119.914 0.276 0.000 2.808 467 V HA 0.654 4.774 4.120 -0.000 0.000 0.308 467 V C -2.009 174.252 176.094 0.279 0.000 1.099 467 V CA -0.343 62.147 62.300 0.317 0.000 0.920 467 V CB 2.113 34.084 31.823 0.246 0.000 1.014 467 V HN 0.759 nan 8.190 nan 0.000 0.425 468 Y N 6.205 126.670 120.300 0.275 0.000 2.341 468 Y HA 0.807 5.357 4.550 -0.000 0.000 0.337 468 Y C -0.013 176.214 175.900 0.544 0.000 1.014 468 Y CA -0.479 57.843 58.100 0.370 0.000 1.111 468 Y CB 1.928 40.511 38.460 0.205 0.000 1.194 468 Y HN 0.548 nan 8.280 nan 0.000 0.462 469 L N 3.020 124.605 121.223 0.603 0.000 2.479 469 L HA 0.439 4.779 4.340 -0.000 0.000 0.255 469 L C -1.026 175.560 176.870 -0.474 0.000 1.026 469 L CA -0.855 53.956 54.840 -0.048 0.000 0.842 469 L CB 2.386 44.292 42.059 -0.254 0.000 1.444 469 L HN 0.679 nan 8.230 nan 0.000 0.409 470 N N -0.188 117.830 118.700 -1.137 0.000 2.790 470 N HA 0.249 4.989 4.740 -0.000 0.000 0.256 470 N C -2.667 172.423 175.510 -0.699 0.000 1.409 470 N CA -1.443 51.037 53.050 -0.951 0.000 0.799 470 N CB 1.581 39.214 38.487 -1.424 0.000 1.170 470 N HN 0.197 nan 8.380 nan 0.000 0.507 471 P HA -0.232 nan 4.420 nan 0.000 0.229 471 P C 0.316 177.639 177.300 0.037 0.000 1.152 471 P CA 1.960 64.766 63.100 -0.490 0.000 0.915 471 P CB 0.221 31.569 31.700 -0.588 0.000 0.784 472 K N -2.146 118.268 120.400 0.024 0.000 2.726 472 K HA 0.338 4.658 4.320 -0.000 0.000 0.209 472 K C 0.406 177.046 176.600 0.065 0.000 1.082 472 K CA 0.197 56.548 56.287 0.107 0.000 1.081 472 K CB 0.011 32.577 32.500 0.111 0.000 0.830 472 K HN 0.072 nan 8.250 nan 0.000 0.470 473 G N 2.956 111.791 108.800 0.059 0.000 2.369 473 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.286 473 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.286 473 G C -0.105 174.802 174.900 0.012 0.000 0.938 473 G CA 1.135 46.259 45.100 0.040 0.000 1.271 473 G HN 0.692 nan 8.290 nan 0.000 0.488 474 D N -2.642 117.742 120.400 -0.026 0.000 2.453 474 D HA 0.392 5.031 4.640 -0.000 0.000 0.256 474 D C 1.717 178.031 176.300 0.023 0.000 1.152 474 D CA 0.610 54.617 54.000 0.011 0.000 0.818 474 D CB 0.010 40.822 40.800 0.020 0.000 1.259 474 D HN 1.383 nan 8.370 nan 0.000 0.531 475 G N 0.345 109.121 108.800 -0.040 0.000 2.213 475 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.236 475 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.236 475 G C 0.017 175.000 174.900 0.137 0.000 0.991 475 G CA -0.214 44.930 45.100 0.073 0.000 0.629 475 G HN 0.176 nan 8.290 nan 0.000 0.517 476 K N 1.278 121.701 120.400 0.038 0.000 2.167 476 K HA 0.418 4.738 4.320 -0.000 0.000 0.275 476 K C -0.033 176.619 176.600 0.086 0.000 1.103 476 K CA -0.256 56.095 56.287 0.107 0.000 0.963 476 K CB -0.205 32.340 32.500 0.075 0.000 1.243 476 K HN 0.401 nan 8.250 nan 0.000 0.407 477 W N 1.810 123.140 121.300 0.049 0.000 2.215 477 W HA 0.355 5.015 4.660 -0.000 0.000 0.342 477 W C 0.090 176.611 176.519 0.004 0.000 1.237 477 W CA -0.433 56.934 57.345 0.036 0.000 1.283 477 W CB 0.830 30.339 29.460 0.082 0.000 1.131 477 W HN 0.266 nan 8.180 nan 0.000 0.606 478 C N 2.082 121.510 119.300 0.213 0.000 2.608 478 C HA 0.334 4.794 4.460 -0.000 0.000 0.325 478 C C -0.251 174.579 174.990 -0.267 0.000 1.147 478 C CA -1.470 57.497 59.018 -0.085 0.000 1.359 478 C CB 1.111 28.693 27.740 -0.263 0.000 1.912 478 C HN 0.595 nan 8.230 nan 0.000 0.466 479 K N 2.480 122.646 120.400 -0.390 0.000 2.201 479 K HA 0.574 4.894 4.320 -0.000 0.000 0.278 479 K C -1.514 174.751 176.600 -0.558 0.000 1.027 479 K CA -0.158 55.769 56.287 -0.600 0.000 0.909 479 K CB 0.514 32.604 32.500 -0.684 0.000 1.062 479 K HN 0.588 nan 8.250 nan 0.000 0.465 480 F N 3.399 123.233 119.950 -0.195 0.000 2.308 480 F HA 0.147 4.674 4.527 -0.000 0.000 0.370 480 F C 0.393 176.176 175.800 -0.029 0.000 1.100 480 F CA -0.640 57.326 58.000 -0.057 0.000 1.108 480 F CB 1.207 40.200 39.000 -0.011 0.000 1.293 480 F HN 0.555 nan 8.300 nan 0.000 0.478 481 D N 3.403 123.869 120.400 0.110 0.000 2.894 481 D HA 0.143 4.782 4.640 -0.000 0.000 0.273 481 D C 0.375 176.785 176.300 0.183 0.000 1.328 481 D CA 0.193 54.283 54.000 0.150 0.000 0.845 481 D CB -0.148 40.718 40.800 0.111 0.000 1.072 481 D HN 0.649 nan 8.370 nan 0.000 0.484 482 D N 0.054 120.558 120.400 0.174 0.000 4.923 482 D HA -0.219 4.421 4.640 -0.000 0.000 0.133 482 D C 0.586 176.965 176.300 0.132 0.000 0.652 482 D CA 1.311 55.396 54.000 0.142 0.000 1.085 482 D CB -0.995 39.896 40.800 0.151 0.000 0.687 482 D HN 0.518 nan 8.370 nan 0.000 0.585 483 D N 1.636 122.108 120.400 0.120 0.000 2.355 483 D HA 0.004 4.644 4.640 -0.000 0.000 0.218 483 D C 0.958 177.315 176.300 0.095 0.000 1.004 483 D CA 0.722 54.789 54.000 0.112 0.000 0.880 483 D CB 0.136 41.008 40.800 0.121 0.000 0.911 483 D HN 0.266 nan 8.370 nan 0.000 0.528 484 V N -0.617 119.299 119.914 0.003 0.000 2.305 484 V HA 0.476 4.596 4.120 -0.000 0.000 0.275 484 V C -0.356 175.745 176.094 0.011 0.000 1.020 484 V CA -1.029 61.234 62.300 -0.061 0.000 0.811 484 V CB 1.094 32.600 31.823 -0.527 0.000 1.031 484 V HN -0.148 nan 8.190 nan 0.000 0.439 485 V N 5.179 125.201 119.914 0.180 0.000 2.394 485 V HA 0.792 4.912 4.120 -0.000 0.000 0.282 485 V C 0.606 176.842 176.094 0.237 0.000 1.031 485 V CA 0.476 62.799 62.300 0.037 0.000 0.881 485 V CB 1.376 33.204 31.823 0.010 0.000 0.982 485 V HN 1.164 nan 8.190 nan 0.000 0.451 486 S N 5.011 120.748 115.700 0.063 0.000 2.732 486 S HA 0.755 5.225 4.470 -0.000 0.000 0.293 486 S C -0.611 174.018 174.600 0.047 0.000 1.159 486 S CA -1.205 57.141 58.200 0.242 0.000 0.847 486 S CB 1.965 65.278 63.200 0.189 0.000 1.169 486 S HN 0.563 nan 8.310 nan 0.000 0.501 487 R N -0.635 119.931 120.500 0.109 0.000 2.549 487 R HA 0.816 5.156 4.340 -0.000 0.000 0.267 487 R C -0.500 175.840 176.300 0.066 0.000 1.045 487 R CA -0.418 55.726 56.100 0.072 0.000 1.115 487 R CB 1.038 31.389 30.300 0.085 0.000 1.121 487 R HN 0.967 nan 8.270 nan 0.000 0.543 488 C N -1.938 117.422 119.300 0.100 0.000 3.321 488 C HA 0.567 5.027 4.460 -0.000 0.000 0.329 488 C C 0.270 175.326 174.990 0.111 0.000 1.394 488 C CA -1.125 57.952 59.018 0.099 0.000 1.291 488 C CB 1.036 28.863 27.740 0.145 0.000 1.606 488 C HN 0.940 nan 8.230 nan 0.000 0.463 489 T N -1.196 113.383 114.554 0.042 0.000 2.824 489 T HA 0.348 4.698 4.350 -0.000 0.000 0.277 489 T C 0.792 175.456 174.700 -0.060 0.000 0.975 489 T CA -0.301 61.812 62.100 0.021 0.000 0.966 489 T CB 0.943 69.803 68.868 -0.013 0.000 1.054 489 T HN 0.937 nan 8.240 nan 0.000 0.533 490 K N 0.284 120.660 120.400 -0.041 0.000 2.147 490 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 490 K C 2.367 178.816 176.600 -0.252 0.000 1.049 490 K CA 1.703 57.897 56.287 -0.155 0.000 0.936 490 K CB -0.086 32.424 32.500 0.017 0.000 0.722 490 K HN 0.886 nan 8.250 nan 0.000 0.446 491 E N 0.206 120.330 120.200 -0.126 0.000 2.107 491 E HA -0.169 4.180 4.350 -0.000 0.000 0.191 491 E C 1.323 177.892 176.600 -0.051 0.000 0.982 491 E CA 0.922 57.291 56.400 -0.050 0.000 0.809 491 E CB -0.138 29.628 29.700 0.109 0.000 0.756 491 E HN 0.289 nan 8.360 nan 0.000 0.459 492 E N 0.490 120.581 120.200 -0.182 0.000 2.338 492 E HA -0.106 4.244 4.350 -0.000 0.000 0.197 492 E C 1.763 178.138 176.600 -0.375 0.000 1.007 492 E CA 0.856 57.107 56.400 -0.247 0.000 0.849 492 E CB 0.115 29.721 29.700 -0.156 0.000 0.774 492 E HN 0.480 nan 8.360 nan 0.000 0.506 493 A N -0.019 122.478 122.820 -0.538 0.000 1.993 493 A HA 0.108 4.427 4.320 -0.000 0.000 0.207 493 A C 1.728 178.838 177.584 -0.790 0.000 1.224 493 A CA 0.252 51.726 52.037 -0.939 0.000 0.749 493 A CB 0.251 18.593 19.000 -1.097 0.000 0.884 493 A HN -0.002 nan 8.150 nan 0.000 0.467 494 I N -0.182 120.001 120.570 -0.646 0.000 4.518 494 I HA 0.040 4.210 4.170 -0.000 0.000 0.231 494 I C 2.027 177.535 176.117 -1.016 0.000 1.003 494 I CA 0.822 61.763 61.300 -0.599 0.000 1.610 494 I CB -0.698 36.957 38.000 -0.575 0.000 1.481 494 I HN 0.320 nan 8.210 nan 0.000 0.462 495 E N 0.674 120.214 120.200 -1.101 0.000 2.208 495 E HA -0.291 4.059 4.350 -0.000 0.000 0.202 495 E C 1.139 177.318 176.600 -0.701 0.000 1.014 495 E CA 1.558 57.280 56.400 -1.131 0.000 0.819 495 E CB -0.610 28.812 29.700 -0.463 0.000 0.735 495 E HN 0.608 nan 8.360 nan 0.000 0.469 496 H N -0.221 118.575 119.070 -0.456 0.000 2.538 496 H HA 0.194 4.749 4.556 -0.000 0.000 0.286 496 H C 0.574 175.766 175.328 -0.227 0.000 1.035 496 H CA 0.073 55.964 56.048 -0.262 0.000 1.169 496 H CB 0.377 30.010 29.762 -0.215 0.000 1.417 496 H HN 0.138 nan 8.280 nan 0.000 0.567 497 N N -0.827 117.755 118.700 -0.197 0.000 2.113 497 N HA -0.034 4.706 4.740 -0.000 0.000 0.223 497 N C 1.110 176.717 175.510 0.161 0.000 1.310 497 N CA -0.140 52.895 53.050 -0.025 0.000 0.896 497 N CB 0.153 38.634 38.487 -0.010 0.000 1.097 497 N HN 0.371 nan 8.380 nan 0.000 0.507 498 Y N 1.483 121.797 120.300 0.023 0.000 2.446 498 Y HA -0.147 4.403 4.550 -0.000 0.000 0.287 498 Y C 1.688 177.647 175.900 0.098 0.000 1.159 498 Y CA 0.592 58.717 58.100 0.041 0.000 1.297 498 Y CB 0.142 38.527 38.460 -0.125 0.000 0.974 498 Y HN 0.093 nan 8.280 nan 0.000 0.557 511 T N 2.809 117.348 114.554 -0.025 0.000 2.759 511 T HA 0.300 4.649 4.350 -0.000 0.000 0.273 511 T C 0.278 175.015 174.700 0.062 0.000 0.938 511 T CA 0.960 63.067 62.100 0.012 0.000 1.197 511 T CB -0.492 68.388 68.868 0.020 0.000 0.887 511 T HN 0.794 nan 8.240 nan 0.000 0.540 512 N N 3.433 122.193 118.700 0.101 0.000 2.761 512 N HA 0.715 5.455 4.740 -0.000 0.000 0.283 512 N C -1.275 174.352 175.510 0.195 0.000 1.377 512 N CA -1.042 52.089 53.050 0.135 0.000 0.791 512 N CB 1.209 39.760 38.487 0.107 0.000 1.540 512 N HN 0.561 nan 8.380 nan 0.000 0.539 513 A N -0.636 122.301 122.820 0.196 0.000 2.305 513 A HA 0.499 4.819 4.320 -0.000 0.000 0.322 513 A C -0.804 176.858 177.584 0.130 0.000 1.187 513 A CA -0.668 51.454 52.037 0.141 0.000 0.825 513 A CB -0.182 18.800 19.000 -0.029 0.000 1.164 513 A HN 0.914 nan 8.150 nan 0.000 0.498 514 Y N 0.120 120.418 120.300 -0.004 0.000 2.426 514 Y HA 0.613 5.162 4.550 -0.000 0.000 0.249 514 Y C -0.090 175.793 175.900 -0.028 0.000 1.103 514 Y CA -0.635 57.437 58.100 -0.046 0.000 1.256 514 Y CB 0.309 38.779 38.460 0.016 0.000 1.208 514 Y HN 0.489 nan 8.280 nan 0.000 0.519 515 M N 1.574 120.834 119.600 -0.568 0.000 2.325 515 M HA 0.509 4.988 4.480 -0.000 0.000 0.285 515 M C -2.655 173.438 176.300 -0.344 0.000 1.119 515 M CA -0.519 54.518 55.300 -0.438 0.000 0.959 515 M CB 2.069 34.324 32.600 -0.575 0.000 1.737 515 M HN 0.173 nan 8.290 nan 0.000 0.486 516 L N 4.193 125.306 121.223 -0.183 0.000 2.333 516 L HA 0.832 5.171 4.340 -0.000 0.000 0.269 516 L C -1.003 175.866 176.870 -0.002 0.000 1.010 516 L CA -1.172 53.577 54.840 -0.151 0.000 0.818 516 L CB 2.295 44.284 42.059 -0.118 0.000 1.306 516 L HN 0.454 nan 8.230 nan 0.000 0.430 517 V N 1.788 121.690 119.914 -0.019 0.000 2.409 517 V HA 0.394 4.514 4.120 -0.000 0.000 0.290 517 V C -1.038 175.132 176.094 0.128 0.000 1.017 517 V CA -0.492 61.905 62.300 0.162 0.000 0.841 517 V CB 1.194 33.147 31.823 0.216 0.000 1.003 517 V HN 0.419 nan 8.190 nan 0.000 0.426 518 Y N 4.523 124.996 120.300 0.288 0.000 2.457 518 Y HA 0.728 5.278 4.550 -0.000 0.000 0.333 518 Y C 0.186 176.322 175.900 0.392 0.000 1.119 518 Y CA -0.768 57.534 58.100 0.337 0.000 1.143 518 Y CB 1.948 40.605 38.460 0.328 0.000 1.230 518 Y HN 0.422 nan 8.280 nan 0.000 0.469 519 I N 1.760 122.634 120.570 0.508 0.000 2.647 519 I HA 0.372 4.542 4.170 -0.000 0.000 0.295 519 I C -0.425 175.680 176.117 -0.020 0.000 1.078 519 I CA -1.086 60.364 61.300 0.251 0.000 1.048 519 I CB 2.090 40.094 38.000 0.007 0.000 1.239 519 I HN 0.442 nan 8.210 nan 0.000 0.421 520 R N 3.445 123.682 120.500 -0.438 0.000 2.538 520 R HA -0.030 4.310 4.340 -0.000 0.000 0.282 520 R C 1.235 177.315 176.300 -0.366 0.000 1.009 520 R CA 0.355 55.950 56.100 -0.842 0.000 1.063 520 R CB 0.488 30.377 30.300 -0.684 0.000 0.945 520 R HN 0.663 nan 8.270 nan 0.000 0.414 521 E N 1.253 121.271 120.200 -0.304 0.000 2.171 521 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 521 E C 1.212 177.741 176.600 -0.118 0.000 0.997 521 E CA 1.938 58.255 56.400 -0.139 0.000 0.810 521 E CB 0.219 29.866 29.700 -0.089 0.000 0.738 521 E HN 0.740 nan 8.360 nan 0.000 0.467 522 S N -0.243 115.368 115.700 -0.148 0.000 2.446 522 S HA 0.036 4.506 4.470 -0.000 0.000 0.225 522 S C 1.631 176.169 174.600 -0.103 0.000 1.016 522 S CA 0.211 58.347 58.200 -0.107 0.000 0.943 522 S CB 0.150 63.289 63.200 -0.102 0.000 0.786 522 S HN 0.060 nan 8.310 nan 0.000 0.508 523 K N 1.284 121.605 120.400 -0.132 0.000 2.400 523 K HA 0.330 4.649 4.320 -0.000 0.000 0.194 523 K C 1.749 178.286 176.600 -0.105 0.000 1.033 523 K CA -0.136 56.080 56.287 -0.118 0.000 1.021 523 K CB -0.562 31.856 32.500 -0.136 0.000 0.808 523 K HN 0.349 nan 8.250 nan 0.000 0.505 524 L N 1.549 122.713 121.223 -0.099 0.000 2.012 524 L HA -0.394 3.945 4.340 -0.000 0.000 0.236 524 L C 2.419 179.251 176.870 -0.062 0.000 1.099 524 L CA 2.499 57.294 54.840 -0.076 0.000 0.821 524 L CB -0.917 41.113 42.059 -0.049 0.000 0.918 524 L HN 0.280 nan 8.230 nan 0.000 0.445 525 S N -0.376 115.297 115.700 -0.046 0.000 2.380 525 S HA -0.279 4.190 4.470 -0.000 0.000 0.229 525 S C 1.494 176.069 174.600 -0.042 0.000 1.043 525 S CA 1.882 60.061 58.200 -0.034 0.000 1.038 525 S CB -0.856 62.328 63.200 -0.027 0.000 0.872 525 S HN 0.675 nan 8.310 nan 0.000 0.456 526 E N 1.322 121.488 120.200 -0.057 0.000 2.046 526 E HA -0.012 4.338 4.350 -0.000 0.000 0.190 526 E C 2.176 178.731 176.600 -0.076 0.000 0.982 526 E CA 1.040 57.403 56.400 -0.061 0.000 0.800 526 E CB -0.727 28.933 29.700 -0.067 0.000 0.756 526 E HN 0.386 nan 8.360 nan 0.000 0.449 527 V N 2.153 122.008 119.914 -0.098 0.000 2.252 527 V HA -0.249 3.871 4.120 -0.000 0.000 0.249 527 V C 2.188 178.222 176.094 -0.101 0.000 1.056 527 V CA 1.647 63.874 62.300 -0.122 0.000 1.022 527 V CB -0.506 31.224 31.823 -0.155 0.000 0.641 527 V HN 0.279 nan 8.190 nan 0.000 0.445 528 L N 0.170 121.346 121.223 -0.079 0.000 2.682 528 L HA 0.081 4.421 4.340 -0.000 0.000 0.240 528 L C 0.915 177.778 176.870 -0.011 0.000 1.178 528 L CA -0.109 54.713 54.840 -0.031 0.000 0.970 528 L CB -0.884 41.172 42.059 -0.005 0.000 1.179 528 L HN 0.448 nan 8.230 nan 0.000 0.435 529 Q N 0.890 120.672 119.800 -0.031 0.000 2.380 529 Q HA 0.025 4.365 4.340 -0.000 0.000 0.338 529 Q C 0.585 176.584 176.000 -0.002 0.000 1.193 529 Q CA 0.204 55.996 55.803 -0.019 0.000 1.023 529 Q CB 0.408 29.128 28.738 -0.029 0.000 1.252 529 Q HN 0.429 nan 8.270 nan 0.000 0.422 530 A N 2.116 124.943 122.820 0.011 0.000 2.409 530 A HA 0.402 4.722 4.320 -0.000 0.000 0.262 530 A C -0.469 177.126 177.584 0.019 0.000 1.113 530 A CA -0.556 51.496 52.037 0.025 0.000 0.790 530 A CB 0.538 19.554 19.000 0.026 0.000 1.046 530 A HN 0.439 nan 8.150 nan 0.000 0.496 531 V N 3.235 123.162 119.914 0.021 0.000 2.398 531 V HA 0.489 4.608 4.120 -0.000 0.000 0.286 531 V C 0.355 176.475 176.094 0.044 0.000 1.026 531 V CA -0.297 62.018 62.300 0.024 0.000 0.868 531 V CB 1.353 33.168 31.823 -0.014 0.000 0.982 531 V HN 0.962 nan 8.190 nan 0.000 0.443 532 T N 2.413 116.998 114.554 0.052 0.000 2.918 532 T HA 0.276 4.626 4.350 -0.000 0.000 0.286 532 T C 0.607 175.350 174.700 0.071 0.000 1.026 532 T CA -0.540 61.585 62.100 0.041 0.000 1.031 532 T CB 1.440 70.312 68.868 0.008 0.000 1.046 532 T HN 0.711 nan 8.240 nan 0.000 0.479 533 D N 0.132 120.575 120.400 0.071 0.000 2.403 533 D HA -0.089 4.550 4.640 -0.000 0.000 0.227 533 D C 1.198 177.593 176.300 0.158 0.000 0.995 533 D CA 0.943 55.023 54.000 0.134 0.000 0.928 533 D CB 0.185 41.059 40.800 0.123 0.000 0.887 533 D HN 0.645 nan 8.370 nan 0.000 0.529 534 H N 0.784 119.864 119.070 0.016 0.000 2.344 534 H HA -0.032 4.524 4.556 -0.000 0.000 0.307 534 H C 0.687 176.012 175.328 -0.004 0.000 1.057 534 H CA 0.400 56.452 56.048 0.006 0.000 1.373 534 H CB 0.549 30.315 29.762 0.007 0.000 1.421 534 H HN 0.014 nan 8.280 nan 0.000 0.532 535 D N 1.245 121.729 120.400 0.139 0.000 2.413 535 D HA -0.008 4.632 4.640 -0.000 0.000 0.262 535 D C -0.089 176.223 176.300 0.020 0.000 1.254 535 D CA 0.759 54.804 54.000 0.075 0.000 0.942 535 D CB -0.279 40.576 40.800 0.092 0.000 0.937 535 D HN 0.388 nan 8.370 nan 0.000 0.508 536 I N 1.058 121.600 120.570 -0.047 0.000 2.476 536 I HA 0.179 4.349 4.170 -0.000 0.000 0.281 536 I C -2.461 173.613 176.117 -0.072 0.000 1.040 536 I CA -2.264 58.929 61.300 -0.178 0.000 1.094 536 I CB 2.068 39.843 38.000 -0.374 0.000 1.219 536 I HN -0.456 nan 8.210 nan 0.000 0.450 537 P HA -0.083 nan 4.420 nan 0.000 0.257 537 P C 0.504 177.786 177.300 -0.029 0.000 1.162 537 P CA 0.328 63.416 63.100 -0.020 0.000 0.762 537 P CB 0.612 32.312 31.700 0.002 0.000 0.753 538 Q N 4.187 123.975 119.800 -0.020 0.000 2.029 538 Q HA -0.293 4.046 4.340 -0.000 0.000 0.209 538 Q C 1.984 177.967 176.000 -0.028 0.000 0.999 538 Q CA 2.118 57.912 55.803 -0.016 0.000 0.857 538 Q CB -0.551 28.180 28.738 -0.011 0.000 0.926 538 Q HN 0.459 nan 8.270 nan 0.000 0.415 539 Q N -0.078 119.707 119.800 -0.025 0.000 2.325 539 Q HA -0.203 4.137 4.340 -0.000 0.000 0.211 539 Q C 1.936 177.911 176.000 -0.040 0.000 0.988 539 Q CA 1.627 57.414 55.803 -0.027 0.000 0.887 539 Q CB -0.675 28.053 28.738 -0.018 0.000 0.915 539 Q HN 0.512 nan 8.270 nan 0.000 0.440 540 L N -0.323 120.870 121.223 -0.051 0.000 2.145 540 L HA 0.028 4.367 4.340 -0.000 0.000 0.201 540 L C 2.210 178.988 176.870 -0.154 0.000 1.075 540 L CA 0.955 55.750 54.840 -0.075 0.000 0.773 540 L CB -0.693 41.339 42.059 -0.045 0.000 0.936 540 L HN -0.087 nan 8.230 nan 0.000 0.451 541 V N 0.518 120.340 119.914 -0.153 0.000 2.380 541 V HA -0.293 3.827 4.120 -0.000 0.000 0.251 541 V C 2.611 178.607 176.094 -0.164 0.000 1.063 541 V CA 2.163 64.336 62.300 -0.210 0.000 1.055 541 V CB -0.813 30.989 31.823 -0.034 0.000 0.657 541 V HN 0.534 nan 8.190 nan 0.000 0.455 542 E N -0.126 120.019 120.200 -0.091 0.000 2.015 542 E HA -0.239 4.110 4.350 -0.000 0.000 0.191 542 E C 2.472 179.025 176.600 -0.079 0.000 0.991 542 E CA 1.301 57.664 56.400 -0.062 0.000 0.802 542 E CB -0.277 29.401 29.700 -0.036 0.000 0.759 542 E HN 0.425 nan 8.360 nan 0.000 0.447 543 R N 0.580 121.031 120.500 -0.081 0.000 2.134 543 R HA -0.253 4.087 4.340 -0.000 0.000 0.248 543 R C 2.165 178.410 176.300 -0.091 0.000 1.143 543 R CA 1.477 57.533 56.100 -0.072 0.000 0.957 543 R CB -0.267 29.994 30.300 -0.064 0.000 0.867 543 R HN 0.077 nan 8.270 nan 0.000 0.441 544 L N 1.193 122.316 121.223 -0.167 0.000 1.937 544 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 544 L C 2.630 179.438 176.870 -0.104 0.000 1.077 544 L CA 1.950 56.673 54.840 -0.195 0.000 0.758 544 L CB -1.415 40.350 42.059 -0.490 0.000 0.888 544 L HN 0.347 nan 8.230 nan 0.000 0.433 545 Q N -0.589 119.151 119.800 -0.100 0.000 2.389 545 Q HA -0.280 4.060 4.340 -0.000 0.000 0.213 545 Q C 1.857 177.859 176.000 0.004 0.000 0.989 545 Q CA 1.738 57.543 55.803 0.004 0.000 0.891 545 Q CB 0.119 28.878 28.738 0.036 0.000 0.923 545 Q HN 0.485 nan 8.270 nan 0.000 0.455 546 E N 0.060 120.249 120.200 -0.018 0.000 2.230 546 E HA -0.102 4.247 4.350 -0.000 0.000 0.192 546 E C 1.290 177.889 176.600 -0.003 0.000 0.987 546 E CA 0.902 57.297 56.400 -0.008 0.000 0.841 546 E CB 0.260 29.951 29.700 -0.016 0.000 0.783 546 E HN 0.441 nan 8.360 nan 0.000 0.481 547 E N 0.767 120.963 120.200 -0.007 0.000 2.028 547 E HA -0.174 4.176 4.350 -0.000 0.000 0.190 547 E C 1.937 178.545 176.600 0.015 0.000 0.984 547 E CA 0.890 57.292 56.400 0.002 0.000 0.800 547 E CB -0.271 29.428 29.700 -0.001 0.000 0.758 547 E HN 0.070 nan 8.360 nan 0.000 0.448 548 K N 2.320 122.735 120.400 0.024 0.000 2.089 548 K HA -0.281 4.039 4.320 -0.000 0.000 0.210 548 K C 2.170 178.789 176.600 0.031 0.000 1.048 548 K CA 1.712 58.023 56.287 0.039 0.000 0.926 548 K CB -0.210 32.328 32.500 0.062 0.000 0.714 548 K HN 0.036 nan 8.250 nan 0.000 0.448 549 R N 0.756 121.271 120.500 0.024 0.000 2.082 549 R HA -0.101 4.238 4.340 -0.000 0.000 0.228 549 R C 2.557 178.866 176.300 0.016 0.000 1.140 549 R CA 1.764 57.875 56.100 0.019 0.000 0.920 549 R CB -0.688 29.621 30.300 0.014 0.000 0.828 549 R HN 0.353 nan 8.270 nan 0.000 0.430 550 I N 1.533 122.110 120.570 0.012 0.000 2.953 550 I HA -0.151 4.019 4.170 -0.000 0.000 0.271 550 I C 0.137 176.262 176.117 0.012 0.000 1.286 550 I CA 1.261 62.567 61.300 0.010 0.000 1.449 550 I CB -0.040 37.964 38.000 0.007 0.000 1.086 550 I HN 0.340 nan 8.210 nan 0.000 0.483 551 E N 1.838 122.047 120.200 0.016 0.000 2.452 551 E HA 0.203 4.552 4.350 -0.000 0.000 0.293 551 E C 0.096 176.708 176.600 0.019 0.000 1.535 551 E CA -0.298 56.113 56.400 0.018 0.000 1.816 551 E CB 0.124 29.837 29.700 0.022 0.000 1.494 551 E HN 0.421 nan 8.360 nan 0.000 0.464 552 A N 2.666 125.495 122.820 0.016 0.000 2.527 552 A HA 0.179 4.499 4.320 -0.000 0.000 0.313 552 A C 0.266 177.858 177.584 0.014 0.000 1.410 552 A CA -0.758 51.288 52.037 0.015 0.000 1.060 552 A CB 0.043 19.051 19.000 0.013 0.000 1.137 552 A HN 0.229 nan 8.150 nan 0.000 0.542 553 Q N 0.000 119.809 119.800 0.016 0.000 2.315 553 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 553 Q CA 0.000 55.812 55.803 0.015 0.000 1.022 553 Q CB 0.000 28.748 28.738 0.017 0.000 1.108 553 Q HN 0.000 nan 8.270 nan 0.000 0.481