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 9abp_1_A DATA FIRST_RESID 2 DATA SEQUENCE NLKLGFLVKQ PEEPWFQTEW KFADKAGKDL GFEVIKIAVP DGEKTLNAID DATA SEQUENCE SLAASGAKGF VICTPDPKLG SAIVAKARGY DMKVIAVDDQ FVNAKGKPMD DATA SEQUENCE TVPLVMMAAT KIGERQGQEL YKEMQKRGWD VKESAVMAIT ANELDTARRR DATA SEQUENCE TTGSMDALKA AGFPEKQIYQ VPTKSNDIPG AFDAANSMLV QHPEVKHWLI DATA SEQUENCE VGMNDSTVLG GVRATEGQGF KAADIIGIGI NGVDAVSELS KAQATGFYGS DATA SEQUENCE LLGSPDVHGY KSSEMLYNWV AKDVEPPKFT EVTDVVLITR DNFKEELEKK DATA SEQUENCE GLGGK 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.563 175.510 0.089 0.000 1.280 2 N CA 0.000 53.090 53.050 0.066 0.000 0.885 2 N CB 0.000 nan 38.487 nan 0.000 1.341 3 L N 2.858 124.162 121.223 0.136 0.000 2.453 3 L HA 0.502 4.842 4.340 -0.001 0.000 0.272 3 L C -0.060 176.915 176.870 0.174 0.000 1.182 3 L CA -0.011 54.918 54.840 0.148 0.000 0.858 3 L CB 0.271 42.448 42.059 0.198 0.000 1.120 3 L HN 0.383 nan 8.230 nan 0.000 0.474 4 K N 6.372 126.844 120.400 0.120 0.000 2.274 4 K HA 0.661 4.981 4.320 -0.001 0.000 0.262 4 K C -1.342 175.324 176.600 0.110 0.000 0.961 4 K CA -0.416 55.946 56.287 0.126 0.000 0.833 4 K CB 1.449 33.993 32.500 0.074 0.000 1.102 4 K HN 0.574 nan 8.250 nan 0.000 0.436 5 L N 1.510 122.828 121.223 0.157 0.000 2.386 5 L HA 0.530 4.870 4.340 -0.001 0.000 0.271 5 L C 0.404 177.406 176.870 0.221 0.000 0.993 5 L CA -1.095 53.824 54.840 0.131 0.000 0.819 5 L CB 2.115 44.160 42.059 -0.023 0.000 1.294 5 L HN 0.690 nan 8.230 nan 0.000 0.414 6 G N 0.797 109.748 108.800 0.251 0.000 2.448 6 G HA2 0.519 4.479 3.960 -0.001 0.000 0.285 6 G HA3 0.519 4.479 3.960 -0.001 0.000 0.285 6 G C -1.490 173.654 174.900 0.407 0.000 1.176 6 G CA -0.071 45.200 45.100 0.285 0.000 0.852 6 G HN 0.368 nan 8.290 nan 0.000 0.530 7 F N 1.905 122.033 119.950 0.297 0.000 2.646 7 F HA 0.458 4.984 4.527 -0.001 0.000 0.364 7 F C -0.996 175.120 175.800 0.525 0.000 1.137 7 F CA -1.023 57.232 58.000 0.425 0.000 1.085 7 F CB 1.340 40.632 39.000 0.487 0.000 1.331 7 F HN 0.143 nan 8.300 nan 0.000 0.472 8 L N 5.998 127.503 121.223 0.471 0.000 2.289 8 L HA 0.701 5.040 4.340 -0.001 0.000 0.285 8 L C -0.413 176.618 176.870 0.268 0.000 1.049 8 L CA -0.822 54.233 54.840 0.359 0.000 0.804 8 L CB 1.515 43.682 42.059 0.180 0.000 1.195 8 L HN 0.373 nan 8.230 nan 0.000 0.428 9 V N 0.711 120.712 119.914 0.146 0.000 2.876 9 V HA 0.557 4.676 4.120 -0.001 0.000 0.312 9 V C 0.624 176.523 176.094 -0.326 0.000 1.085 9 V CA -0.821 61.347 62.300 -0.221 0.000 0.945 9 V CB 1.770 33.334 31.823 -0.432 0.000 1.017 9 V HN 0.792 nan 8.190 nan 0.000 0.428 10 K N 1.971 122.047 120.400 -0.539 0.000 2.103 10 K HA 0.121 4.440 4.320 -0.001 0.000 0.204 10 K C 0.485 176.895 176.600 -0.315 0.000 1.052 10 K CA 0.976 57.057 56.287 -0.343 0.000 0.945 10 K CB 0.068 32.406 32.500 -0.270 0.000 0.722 10 K HN 0.689 nan 8.250 nan 0.000 0.443 11 Q N 0.757 120.247 119.800 -0.518 0.000 2.695 11 Q HA 0.207 4.546 4.340 -0.001 0.000 0.246 11 Q C -2.311 173.628 176.000 -0.102 0.000 0.961 11 Q CA -1.692 53.995 55.803 -0.193 0.000 0.708 11 Q CB 2.305 31.043 28.738 0.001 0.000 1.282 11 Q HN 0.039 nan 8.270 nan 0.000 0.482 12 P HA -0.095 nan 4.420 nan 0.000 0.249 12 P C 0.384 177.700 177.300 0.027 0.000 1.229 12 P CA 0.655 63.669 63.100 -0.143 0.000 0.788 12 P CB 0.586 32.256 31.700 -0.049 0.000 1.072 13 E N 0.574 120.813 120.200 0.064 0.000 2.447 13 E HA -0.033 4.316 4.350 -0.001 0.000 0.195 13 E C 0.513 177.170 176.600 0.094 0.000 1.028 13 E CA 0.170 56.618 56.400 0.079 0.000 0.876 13 E CB -0.148 29.587 29.700 0.060 0.000 0.885 13 E HN 0.392 nan 8.360 nan 0.000 0.500 14 E N 1.739 122.025 120.200 0.143 0.000 2.156 14 E HA 0.195 4.544 4.350 -0.001 0.000 0.279 14 E C -2.002 174.689 176.600 0.151 0.000 0.965 14 E CA -2.468 54.027 56.400 0.159 0.000 0.789 14 E CB 1.813 31.649 29.700 0.226 0.000 1.098 14 E HN -0.288 nan 8.360 nan 0.000 0.397 15 P HA -0.186 nan 4.420 nan 0.000 0.217 15 P C 0.738 178.057 177.300 0.031 0.000 1.148 15 P CA 0.916 64.058 63.100 0.070 0.000 0.828 15 P CB -0.113 31.623 31.700 0.060 0.000 0.783 16 W N -0.143 121.067 121.300 -0.150 0.000 2.317 16 W HA -0.224 4.435 4.660 -0.001 0.000 0.318 16 W C 1.567 177.849 176.519 -0.395 0.000 1.227 16 W CA 1.499 58.650 57.345 -0.324 0.000 1.269 16 W CB -1.169 27.999 29.460 -0.486 0.000 1.155 16 W HN -0.040 nan 8.180 nan 0.000 0.484 17 F N 0.805 120.786 119.950 0.051 0.000 2.293 17 F HA -0.155 4.371 4.527 -0.001 0.000 0.297 17 F C 2.760 178.368 175.800 -0.320 0.000 1.089 17 F CA 1.685 59.600 58.000 -0.141 0.000 1.377 17 F CB -0.790 38.118 39.000 -0.154 0.000 1.051 17 F HN -0.098 nan 8.300 nan 0.000 0.511 18 Q N -0.353 119.428 119.800 -0.032 0.000 2.124 18 Q HA -0.163 4.176 4.340 -0.001 0.000 0.202 18 Q C 2.046 178.096 176.000 0.084 0.000 0.977 18 Q CA 2.117 57.966 55.803 0.076 0.000 0.850 18 Q CB -0.439 28.369 28.738 0.118 0.000 0.901 18 Q HN 0.331 nan 8.270 nan 0.000 0.429 19 T N 0.689 115.222 114.554 -0.036 0.000 2.857 19 T HA -0.095 4.254 4.350 -0.001 0.000 0.266 19 T C 1.408 176.117 174.700 0.015 0.000 1.048 19 T CA 0.928 63.025 62.100 -0.006 0.000 1.139 19 T CB -0.081 68.699 68.868 -0.146 0.000 0.874 19 T HN 0.301 nan 8.240 nan 0.000 0.455 20 E N -0.061 120.034 120.200 -0.176 0.000 2.110 20 E HA -0.140 4.209 4.350 -0.001 0.000 0.193 20 E C 1.959 178.433 176.600 -0.209 0.000 0.988 20 E CA 0.850 57.157 56.400 -0.154 0.000 0.804 20 E CB -0.065 29.585 29.700 -0.083 0.000 0.745 20 E HN 0.515 nan 8.360 nan 0.000 0.458 21 W N 1.735 122.850 121.300 -0.308 0.000 2.379 21 W HA -0.095 4.564 4.660 -0.001 0.000 0.307 21 W C 2.293 178.677 176.519 -0.225 0.000 1.200 21 W CA 0.648 57.778 57.345 -0.359 0.000 1.297 21 W CB -0.712 28.657 29.460 -0.152 0.000 1.140 21 W HN -0.002 nan 8.180 nan 0.000 0.507 22 K N -0.668 119.804 120.400 0.120 0.000 2.103 22 K HA -0.205 4.115 4.320 -0.001 0.000 0.207 22 K C 1.931 178.434 176.600 -0.161 0.000 1.048 22 K CA 1.533 57.803 56.287 -0.028 0.000 0.930 22 K CB -0.655 31.834 32.500 -0.019 0.000 0.716 22 K HN 0.037 nan 8.250 nan 0.000 0.444 23 F N 0.229 120.163 119.950 -0.027 0.000 2.569 23 F HA 0.144 4.671 4.527 -0.001 0.000 0.295 23 F C 2.229 178.041 175.800 0.020 0.000 1.115 23 F CA 0.559 58.587 58.000 0.048 0.000 1.450 23 F CB -0.063 38.989 39.000 0.087 0.000 1.107 23 F HN 0.080 nan 8.300 nan 0.000 0.563 24 A N -0.079 122.767 122.820 0.044 0.000 1.898 24 A HA -0.166 4.154 4.320 -0.001 0.000 0.216 24 A C 1.977 179.518 177.584 -0.072 0.000 1.181 24 A CA 1.931 53.970 52.037 0.004 0.000 0.620 24 A CB -0.701 18.204 19.000 -0.158 0.000 0.819 24 A HN 0.197 nan 8.150 nan 0.000 0.442 25 D N 0.013 120.338 120.400 -0.125 0.000 2.092 25 D HA -0.147 4.493 4.640 -0.001 0.000 0.193 25 D C 1.971 178.125 176.300 -0.243 0.000 0.994 25 D CA 1.458 55.343 54.000 -0.191 0.000 0.828 25 D CB -0.236 40.458 40.800 -0.177 0.000 0.963 25 D HN 0.461 nan 8.370 nan 0.000 0.450 26 K N 0.441 120.722 120.400 -0.198 0.000 2.032 26 K HA -0.115 4.204 4.320 -0.001 0.000 0.209 26 K C 2.156 178.650 176.600 -0.177 0.000 1.048 26 K CA 1.255 57.460 56.287 -0.136 0.000 0.927 26 K CB -0.205 32.277 32.500 -0.030 0.000 0.712 26 K HN 0.056 nan 8.250 nan 0.000 0.441 27 A N 1.336 123.940 122.820 -0.359 0.000 1.908 27 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 27 A C 2.445 179.609 177.584 -0.701 0.000 1.181 27 A CA 2.041 53.685 52.037 -0.655 0.000 0.627 27 A CB -1.217 17.363 19.000 -0.700 0.000 0.818 27 A HN 0.454 nan 8.150 nan 0.000 0.445 28 G N -0.018 108.196 108.800 -0.977 0.000 2.421 28 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.216 28 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.216 28 G C 1.645 176.046 174.900 -0.831 0.000 1.171 28 G CA 1.227 45.370 45.100 -1.595 0.000 0.775 28 G HN 0.608 nan 8.290 nan 0.000 0.543 29 K N 0.546 120.657 120.400 -0.481 0.000 2.032 29 K HA -0.073 4.247 4.320 -0.001 0.000 0.209 29 K C 2.181 178.639 176.600 -0.237 0.000 1.048 29 K CA 1.527 57.643 56.287 -0.286 0.000 0.927 29 K CB -0.217 32.168 32.500 -0.192 0.000 0.712 29 K HN 0.113 nan 8.250 nan 0.000 0.441 30 D N 0.724 120.996 120.400 -0.213 0.000 2.092 30 D HA -0.124 4.515 4.640 -0.001 0.000 0.193 30 D C 1.822 178.034 176.300 -0.147 0.000 0.994 30 D CA 1.233 55.169 54.000 -0.106 0.000 0.828 30 D CB -0.053 40.758 40.800 0.020 0.000 0.963 30 D HN 0.146 nan 8.370 nan 0.000 0.450 31 L N -1.109 119.947 121.223 -0.278 0.000 2.513 31 L HA 0.255 4.595 4.340 -0.001 0.000 0.222 31 L C 0.860 177.519 176.870 -0.353 0.000 1.096 31 L CA 0.269 54.904 54.840 -0.341 0.000 0.857 31 L CB 0.064 41.855 42.059 -0.446 0.000 1.026 31 L HN 0.079 nan 8.230 nan 0.000 0.469 32 G N 1.706 110.314 108.800 -0.320 0.000 2.546 32 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.285 32 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.285 32 G C -0.463 174.406 174.900 -0.052 0.000 1.105 32 G CA 0.082 45.076 45.100 -0.176 0.000 1.189 32 G HN 0.317 nan 8.290 nan 0.000 0.534 33 F N -1.751 118.106 119.950 -0.155 0.000 2.654 33 F HA 0.837 5.364 4.527 -0.001 0.000 0.308 33 F C -0.697 175.074 175.800 -0.049 0.000 1.108 33 F CA -1.991 55.971 58.000 -0.065 0.000 0.957 33 F CB 1.413 40.399 39.000 -0.022 0.000 1.309 33 F HN 0.250 nan 8.300 nan 0.000 0.446 34 E N 2.039 122.373 120.200 0.223 0.000 2.197 34 E HA 0.608 4.957 4.350 -0.001 0.000 0.281 34 E C -1.573 175.164 176.600 0.228 0.000 0.995 34 E CA -0.920 55.542 56.400 0.104 0.000 0.808 34 E CB 1.859 31.596 29.700 0.062 0.000 1.093 34 E HN 0.658 nan 8.360 nan 0.000 0.394 35 V N 6.356 126.345 119.914 0.124 0.000 2.370 35 V HA 0.296 4.415 4.120 -0.001 0.000 0.279 35 V C 0.125 176.242 176.094 0.040 0.000 1.029 35 V CA -0.568 61.830 62.300 0.163 0.000 0.870 35 V CB 1.077 32.984 31.823 0.140 0.000 0.984 35 V HN 0.629 nan 8.190 nan 0.000 0.451 36 I N 5.397 126.013 120.570 0.076 0.000 2.291 36 I HA 0.326 4.495 4.170 -0.001 0.000 0.290 36 I C 0.260 176.377 176.117 0.001 0.000 1.050 36 I CA -0.310 60.994 61.300 0.007 0.000 1.245 36 I CB 0.643 38.660 38.000 0.029 0.000 1.405 36 I HN 0.524 nan 8.210 nan 0.000 0.478 37 K N 7.830 128.112 120.400 -0.198 0.000 2.262 37 K HA 0.620 4.940 4.320 -0.001 0.000 0.282 37 K C -0.743 175.778 176.600 -0.132 0.000 1.066 37 K CA -0.186 55.847 56.287 -0.422 0.000 0.901 37 K CB 1.250 32.887 32.500 -1.438 0.000 1.089 37 K HN 0.511 nan 8.250 nan 0.000 0.476 38 I N 1.977 122.717 120.570 0.283 0.000 2.545 38 I HA 0.332 4.501 4.170 -0.001 0.000 0.292 38 I C -0.316 176.086 176.117 0.474 0.000 1.040 38 I CA -1.129 60.343 61.300 0.286 0.000 1.068 38 I CB 2.100 40.182 38.000 0.135 0.000 1.251 38 I HN 0.581 nan 8.210 nan 0.000 0.424 39 A N 5.451 128.480 122.820 0.348 0.000 2.328 39 A HA 0.612 4.932 4.320 -0.001 0.000 0.284 39 A C -0.069 177.573 177.584 0.097 0.000 1.160 39 A CA -0.369 51.794 52.037 0.210 0.000 0.818 39 A CB 0.592 19.702 19.000 0.183 0.000 1.087 39 A HN 0.684 nan 8.150 nan 0.000 0.504 40 V N 1.345 121.282 119.914 0.039 0.000 2.384 40 V HA 0.378 4.498 4.120 -0.001 0.000 0.257 40 V C -2.235 173.844 176.094 -0.025 0.000 0.969 40 V CA -1.157 61.147 62.300 0.007 0.000 0.910 40 V CB 0.896 32.724 31.823 0.008 0.000 1.150 40 V HN 0.648 nan 8.190 nan 0.000 0.481 41 P HA 0.042 nan 4.420 nan 0.000 0.225 41 P C 0.033 177.320 177.300 -0.023 0.000 1.156 41 P CA 1.238 64.321 63.100 -0.029 0.000 0.787 41 P CB 0.280 31.973 31.700 -0.012 0.000 0.802 42 D N -3.019 117.371 120.400 -0.016 0.000 2.610 42 D HA 0.312 4.951 4.640 -0.001 0.000 0.271 42 D C 1.335 177.624 176.300 -0.019 0.000 1.174 42 D CA -0.850 53.141 54.000 -0.015 0.000 0.949 42 D CB -0.049 40.746 40.800 -0.010 0.000 1.430 42 D HN -0.164 nan 8.370 nan 0.000 0.467 43 G N -0.511 108.277 108.800 -0.020 0.000 2.421 43 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.216 43 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.216 43 G C 1.062 175.948 174.900 -0.023 0.000 1.171 43 G CA 0.976 46.060 45.100 -0.027 0.000 0.775 43 G HN 0.654 nan 8.290 nan 0.000 0.543 44 E N 0.501 120.692 120.200 -0.016 0.000 2.047 44 E HA -0.131 4.219 4.350 -0.001 0.000 0.191 44 E C 2.428 179.020 176.600 -0.012 0.000 0.987 44 E CA 1.033 57.425 56.400 -0.012 0.000 0.799 44 E CB -0.103 29.592 29.700 -0.008 0.000 0.752 44 E HN 0.357 nan 8.360 nan 0.000 0.449 45 K N -0.226 120.168 120.400 -0.010 0.000 2.152 45 K HA -0.104 4.216 4.320 -0.001 0.000 0.206 45 K C 2.154 178.743 176.600 -0.018 0.000 1.048 45 K CA 1.692 57.974 56.287 -0.009 0.000 0.933 45 K CB -0.090 32.409 32.500 -0.001 0.000 0.721 45 K HN 0.125 nan 8.250 nan 0.000 0.447 46 T N 1.673 116.214 114.554 -0.022 0.000 2.674 46 T HA -0.094 4.255 4.350 -0.001 0.000 0.265 46 T C 1.780 176.452 174.700 -0.047 0.000 1.039 46 T CA 1.059 63.139 62.100 -0.034 0.000 1.150 46 T CB -0.146 68.704 68.868 -0.029 0.000 0.864 46 T HN 0.117 nan 8.240 nan 0.000 0.427 47 L N 1.003 122.209 121.223 -0.028 0.000 2.093 47 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 47 L C 2.498 179.365 176.870 -0.006 0.000 1.085 47 L CA 0.888 55.719 54.840 -0.014 0.000 0.755 47 L CB -0.636 41.418 42.059 -0.010 0.000 0.904 47 L HN 0.205 nan 8.230 nan 0.000 0.435 48 N N 0.587 119.280 118.700 -0.012 0.000 2.188 48 N HA -0.123 4.617 4.740 -0.001 0.000 0.184 48 N C 1.894 177.387 175.510 -0.028 0.000 1.018 48 N CA 1.457 54.502 53.050 -0.009 0.000 0.858 48 N CB -0.258 38.225 38.487 -0.007 0.000 0.989 48 N HN 0.279 nan 8.380 nan 0.000 0.426 49 A N 1.002 123.791 122.820 -0.051 0.000 1.930 49 A HA -0.034 4.285 4.320 -0.001 0.000 0.217 49 A C 2.272 179.769 177.584 -0.146 0.000 1.175 49 A CA 0.825 52.812 52.037 -0.084 0.000 0.627 49 A CB -0.588 18.363 19.000 -0.082 0.000 0.815 49 A HN 0.213 nan 8.150 nan 0.000 0.443 50 I N -0.194 120.277 120.570 -0.165 0.000 2.252 50 I HA -0.221 3.948 4.170 -0.001 0.000 0.245 50 I C 1.905 177.986 176.117 -0.060 0.000 1.102 50 I CA 1.308 62.496 61.300 -0.186 0.000 1.385 50 I CB -0.507 37.435 38.000 -0.096 0.000 1.064 50 I HN 0.213 nan 8.210 nan 0.000 0.414 51 D N 0.531 120.947 120.400 0.025 0.000 2.106 51 D HA -0.218 4.421 4.640 -0.001 0.000 0.191 51 D C 2.346 178.566 176.300 -0.133 0.000 0.997 51 D CA 2.000 56.003 54.000 0.006 0.000 0.834 51 D CB -0.299 40.542 40.800 0.068 0.000 0.956 51 D HN 0.276 nan 8.370 nan 0.000 0.448 52 S N -0.027 115.616 115.700 -0.094 0.000 2.356 52 S HA -0.123 4.346 4.470 -0.001 0.000 0.223 52 S C 2.258 176.786 174.600 -0.120 0.000 1.032 52 S CA 0.651 58.795 58.200 -0.092 0.000 1.005 52 S CB -0.444 62.718 63.200 -0.063 0.000 0.867 52 S HN 0.234 nan 8.310 nan 0.000 0.449 53 L N 1.087 122.226 121.223 -0.139 0.000 2.013 53 L HA -0.166 4.173 4.340 -0.001 0.000 0.212 53 L C 3.120 179.891 176.870 -0.166 0.000 1.073 53 L CA 1.617 56.379 54.840 -0.131 0.000 0.753 53 L CB -0.888 41.076 42.059 -0.158 0.000 0.890 53 L HN 0.541 nan 8.230 nan 0.000 0.432 54 A N -0.483 122.154 122.820 -0.304 0.000 1.933 54 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 54 A C 2.473 179.877 177.584 -0.299 0.000 1.175 54 A CA 1.681 53.437 52.037 -0.469 0.000 0.628 54 A CB -0.647 17.611 19.000 -1.237 0.000 0.814 54 A HN 0.470 nan 8.150 nan 0.000 0.444 55 A N -0.650 122.030 122.820 -0.232 0.000 1.902 55 A HA -0.080 4.240 4.320 -0.001 0.000 0.217 55 A C 2.409 179.936 177.584 -0.096 0.000 1.181 55 A CA 2.053 54.008 52.037 -0.137 0.000 0.623 55 A CB -0.819 18.119 19.000 -0.102 0.000 0.818 55 A HN 0.440 nan 8.150 nan 0.000 0.443 56 S N -1.699 113.948 115.700 -0.089 0.000 2.453 56 S HA 0.267 4.737 4.470 -0.001 0.000 0.231 56 S C 1.371 175.943 174.600 -0.047 0.000 1.005 56 S CA 1.060 59.226 58.200 -0.055 0.000 0.949 56 S CB -0.224 62.950 63.200 -0.043 0.000 0.774 56 S HN 1.765 nan 8.310 nan 0.000 0.510 57 G N 1.348 110.108 108.800 -0.067 0.000 2.204 57 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.244 57 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.244 57 G C 0.044 174.929 174.900 -0.024 0.000 1.062 57 G CA -0.080 44.989 45.100 -0.052 0.000 0.798 57 G HN 0.790 nan 8.290 nan 0.000 0.496 58 A N -0.481 122.327 122.820 -0.020 0.000 2.386 58 A HA 0.689 5.008 4.320 -0.001 0.000 0.248 58 A C 1.279 178.874 177.584 0.018 0.000 1.082 58 A CA 0.437 52.486 52.037 0.020 0.000 0.789 58 A CB 0.444 19.473 19.000 0.049 0.000 1.025 58 A HN 0.257 nan 8.150 nan 0.000 0.490 59 K N 0.445 120.855 120.400 0.017 0.000 2.358 59 K HA 0.309 4.628 4.320 -0.001 0.000 0.200 59 K C 0.609 177.181 176.600 -0.046 0.000 1.030 59 K CA 0.907 57.180 56.287 -0.024 0.000 1.097 59 K CB 0.549 33.016 32.500 -0.054 0.000 0.862 59 K HN 1.059 nan 8.250 nan 0.000 0.534 60 G N 1.170 109.988 108.800 0.030 0.000 2.313 60 G HA2 0.414 4.373 3.960 -0.001 0.000 0.296 60 G HA3 0.414 4.373 3.960 -0.001 0.000 0.296 60 G C -1.943 173.070 174.900 0.188 0.000 1.356 60 G CA -0.979 44.122 45.100 0.002 0.000 0.833 60 G HN 0.043 nan 8.290 nan 0.000 0.552 61 F N -1.751 118.184 119.950 -0.025 0.000 2.665 61 F HA 0.756 5.283 4.527 -0.001 0.000 0.308 61 F C -0.923 174.853 175.800 -0.040 0.000 1.112 61 F CA -1.482 56.519 58.000 0.001 0.000 0.972 61 F CB 1.180 40.202 39.000 0.036 0.000 1.295 61 F HN 0.468 nan 8.300 nan 0.000 0.440 62 V N 3.759 123.664 119.914 -0.015 0.000 2.509 62 V HA 0.551 4.670 4.120 -0.001 0.000 0.284 62 V C -0.256 175.754 176.094 -0.141 0.000 1.047 62 V CA -0.606 61.536 62.300 -0.263 0.000 0.952 62 V CB 1.546 32.977 31.823 -0.653 0.000 0.988 62 V HN 0.845 nan 8.190 nan 0.000 0.469 63 I N 4.198 124.758 120.570 -0.017 0.000 2.569 63 I HA 0.466 4.636 4.170 -0.001 0.000 0.290 63 I C -0.944 175.268 176.117 0.158 0.000 1.088 63 I CA -0.348 61.056 61.300 0.173 0.000 1.047 63 I CB 1.565 39.844 38.000 0.465 0.000 1.237 63 I HN 0.746 nan 8.210 nan 0.000 0.421 64 C N 6.628 126.025 119.300 0.160 0.000 2.223 64 C HA 0.473 4.933 4.460 -0.001 0.000 0.324 64 C C 0.648 175.708 174.990 0.117 0.000 1.196 64 C CA -0.142 58.992 59.018 0.194 0.000 1.628 64 C CB -0.124 27.768 27.740 0.254 0.000 2.229 64 C HN 0.841 nan 8.230 nan 0.000 0.486 65 T N 7.656 122.328 114.554 0.196 0.000 2.919 65 T HA 0.236 4.586 4.350 -0.001 0.000 0.302 65 T C -0.940 173.783 174.700 0.038 0.000 1.031 65 T CA -0.887 61.275 62.100 0.103 0.000 1.127 65 T CB 1.088 69.989 68.868 0.056 0.000 0.952 65 T HN 0.715 nan 8.240 nan 0.000 0.540 66 P HA 0.146 nan 4.420 nan 0.000 0.233 66 P C -0.169 177.127 177.300 -0.006 0.000 1.167 66 P CA 0.661 63.750 63.100 -0.019 0.000 0.770 66 P CB 0.301 31.983 31.700 -0.031 0.000 0.837 67 D N -0.987 119.405 120.400 -0.013 0.000 2.764 67 D HA 0.196 4.835 4.640 -0.001 0.000 0.227 67 D C -2.332 173.941 176.300 -0.045 0.000 1.347 67 D CA -1.984 52.004 54.000 -0.021 0.000 0.953 67 D CB 1.720 42.500 40.800 -0.034 0.000 1.476 67 D HN -0.286 nan 8.370 nan 0.000 0.585 68 P HA -0.065 nan 4.420 nan 0.000 0.218 68 P C 0.801 178.066 177.300 -0.058 0.000 1.148 68 P CA 1.013 64.125 63.100 0.019 0.000 0.822 68 P CB 0.367 32.110 31.700 0.071 0.000 0.784 69 K N -0.949 119.419 120.400 -0.054 0.000 2.487 69 K HA 0.124 4.443 4.320 -0.001 0.000 0.192 69 K C 1.421 177.962 176.600 -0.099 0.000 1.027 69 K CA 0.130 56.384 56.287 -0.055 0.000 1.054 69 K CB -0.319 32.164 32.500 -0.028 0.000 0.824 69 K HN 0.194 nan 8.250 nan 0.000 0.510 70 L N -0.515 120.609 121.223 -0.164 0.000 2.558 70 L HA 0.024 4.363 4.340 -0.001 0.000 0.225 70 L C 2.076 178.760 176.870 -0.310 0.000 1.128 70 L CA 0.066 54.788 54.840 -0.196 0.000 0.868 70 L CB -0.228 41.722 42.059 -0.181 0.000 1.006 70 L HN 0.288 nan 8.230 nan 0.000 0.454 71 G N -0.038 108.508 108.800 -0.424 0.000 2.631 71 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.219 71 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.219 71 G C 1.677 176.463 174.900 -0.191 0.000 1.214 71 G CA 1.258 46.022 45.100 -0.560 0.000 0.785 71 G HN 0.356 nan 8.290 nan 0.000 0.596 72 S N 0.978 116.633 115.700 -0.075 0.000 2.368 72 S HA -0.145 4.325 4.470 -0.001 0.000 0.226 72 S C 2.812 177.400 174.600 -0.019 0.000 1.044 72 S CA 1.775 59.967 58.200 -0.013 0.000 1.062 72 S CB -0.629 62.564 63.200 -0.011 0.000 0.931 72 S HN 0.717 nan 8.310 nan 0.000 0.440 73 A N 1.160 123.950 122.820 -0.050 0.000 1.877 73 A HA -0.083 4.236 4.320 -0.001 0.000 0.216 73 A C 2.097 179.674 177.584 -0.012 0.000 1.186 73 A CA 1.444 53.459 52.037 -0.037 0.000 0.620 73 A CB -0.786 18.185 19.000 -0.048 0.000 0.822 73 A HN 0.500 nan 8.150 nan 0.000 0.443 74 I N -0.467 120.086 120.570 -0.028 0.000 2.163 74 I HA -0.247 3.922 4.170 -0.001 0.000 0.243 74 I C 2.377 178.591 176.117 0.161 0.000 1.085 74 I CA 1.370 62.714 61.300 0.074 0.000 1.347 74 I CB -0.435 37.572 38.000 0.011 0.000 1.044 74 I HN 0.165 nan 8.210 nan 0.000 0.408 75 V N 1.018 121.014 119.914 0.137 0.000 2.295 75 V HA -0.320 3.800 4.120 -0.001 0.000 0.246 75 V C 2.734 178.871 176.094 0.072 0.000 1.049 75 V CA 2.064 64.447 62.300 0.138 0.000 1.024 75 V CB -1.113 30.798 31.823 0.146 0.000 0.648 75 V HN 0.514 nan 8.190 nan 0.000 0.447 76 A N -0.532 122.310 122.820 0.035 0.000 1.865 76 A HA -0.263 4.057 4.320 -0.001 0.000 0.217 76 A C 2.341 179.896 177.584 -0.049 0.000 1.191 76 A CA 2.097 54.128 52.037 -0.009 0.000 0.623 76 A CB -0.517 18.471 19.000 -0.021 0.000 0.826 76 A HN 0.476 nan 8.150 nan 0.000 0.444 77 K N -0.560 119.817 120.400 -0.038 0.000 2.063 77 K HA -0.129 4.191 4.320 -0.001 0.000 0.208 77 K C 2.384 178.940 176.600 -0.074 0.000 1.048 77 K CA 1.162 57.383 56.287 -0.111 0.000 0.928 77 K CB -0.401 32.095 32.500 -0.006 0.000 0.713 77 K HN 0.464 nan 8.250 nan 0.000 0.442 78 A N 1.910 124.798 122.820 0.112 0.000 1.841 78 A HA -0.210 4.109 4.320 -0.001 0.000 0.216 78 A C 2.094 179.722 177.584 0.074 0.000 1.199 78 A CA 1.513 53.665 52.037 0.191 0.000 0.621 78 A CB -0.598 18.503 19.000 0.168 0.000 0.835 78 A HN 0.254 nan 8.150 nan 0.000 0.445 79 R N -0.999 119.510 120.500 0.015 0.000 2.119 79 R HA -0.195 4.144 4.340 -0.001 0.000 0.246 79 R C 2.289 178.571 176.300 -0.031 0.000 1.146 79 R CA 1.454 57.546 56.100 -0.013 0.000 0.962 79 R CB -0.959 29.332 30.300 -0.015 0.000 0.863 79 R HN 0.582 nan 8.270 nan 0.000 0.442 80 G N -0.588 108.150 108.800 -0.103 0.000 2.448 80 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.219 80 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.219 80 G C 0.990 175.834 174.900 -0.094 0.000 1.127 80 G CA 0.517 45.506 45.100 -0.185 0.000 0.766 80 G HN 0.435 nan 8.290 nan 0.000 0.552 81 Y N -0.068 120.242 120.300 0.016 0.000 2.458 81 Y HA 0.153 4.703 4.550 -0.001 0.000 0.256 81 Y C 0.500 176.398 175.900 -0.003 0.000 1.159 81 Y CA -0.569 57.539 58.100 0.014 0.000 1.261 81 Y CB 0.731 39.212 38.460 0.035 0.000 1.119 81 Y HN 0.068 nan 8.280 nan 0.000 0.524 82 D N 1.091 121.559 120.400 0.113 0.000 2.723 82 D HA -0.208 4.432 4.640 -0.001 0.000 0.236 82 D C -0.339 175.955 176.300 -0.010 0.000 1.138 82 D CA 1.024 55.038 54.000 0.022 0.000 0.676 82 D CB -1.167 39.640 40.800 0.011 0.000 1.069 82 D HN 0.404 nan 8.370 nan 0.000 0.430 83 M N 0.179 119.790 119.600 0.019 0.000 2.336 83 M HA 0.217 4.696 4.480 -0.001 0.000 0.342 83 M C 0.542 176.720 176.300 -0.202 0.000 1.128 83 M CA -0.641 54.643 55.300 -0.025 0.000 1.016 83 M CB 1.848 34.557 32.600 0.182 0.000 1.665 83 M HN -0.342 nan 8.290 nan 0.000 0.445 84 K N 2.514 122.678 120.400 -0.393 0.000 2.174 84 K HA 0.588 4.908 4.320 -0.001 0.000 0.275 84 K C -0.925 175.331 176.600 -0.572 0.000 1.015 84 K CA -0.432 55.443 56.287 -0.687 0.000 0.933 84 K CB 1.491 33.241 32.500 -1.250 0.000 1.025 84 K HN 0.435 nan 8.250 nan 0.000 0.463 85 V N 4.074 123.705 119.914 -0.472 0.000 2.604 85 V HA 0.516 4.635 4.120 -0.001 0.000 0.305 85 V C 0.086 176.101 176.094 -0.133 0.000 1.043 85 V CA -0.890 61.111 62.300 -0.499 0.000 0.888 85 V CB 1.858 33.383 31.823 -0.495 0.000 0.995 85 V HN 0.575 nan 8.190 nan 0.000 0.429 86 I N 2.997 123.456 120.570 -0.184 0.000 2.498 86 I HA 0.685 4.854 4.170 -0.001 0.000 0.290 86 I C 0.197 176.197 176.117 -0.195 0.000 1.032 86 I CA -0.709 60.526 61.300 -0.109 0.000 1.073 86 I CB 2.096 40.085 38.000 -0.018 0.000 1.251 86 I HN 0.707 nan 8.210 nan 0.000 0.426 87 A N 5.853 128.515 122.820 -0.264 0.000 2.309 87 A HA 0.654 4.973 4.320 -0.001 0.000 0.298 87 A C -0.775 176.753 177.584 -0.094 0.000 1.165 87 A CA -0.416 51.465 52.037 -0.260 0.000 0.821 87 A CB 1.372 20.026 19.000 -0.577 0.000 1.102 87 A HN 0.485 nan 8.150 nan 0.000 0.500 88 V N 3.132 123.056 119.914 0.017 0.000 2.588 88 V HA 0.525 4.644 4.120 -0.001 0.000 0.304 88 V C 0.047 176.290 176.094 0.249 0.000 1.042 88 V CA 0.255 62.625 62.300 0.118 0.000 0.877 88 V CB 1.170 33.091 31.823 0.164 0.000 0.996 88 V HN 1.156 nan 8.190 nan 0.000 0.425 89 D N 3.235 123.788 120.400 0.255 0.000 4.086 89 D HA -0.149 4.491 4.640 -0.001 0.000 0.197 89 D C -0.100 176.332 176.300 0.220 0.000 1.042 89 D CA 1.919 56.110 54.000 0.317 0.000 2.327 89 D CB -0.706 40.380 40.800 0.477 0.000 1.166 89 D HN 0.690 nan 8.370 nan 0.000 0.431 90 D N 2.133 122.673 120.400 0.233 0.000 2.233 90 D HA 0.353 4.992 4.640 -0.001 0.000 0.240 90 D C 0.081 176.518 176.300 0.228 0.000 1.074 90 D CA -0.135 53.990 54.000 0.210 0.000 0.838 90 D CB 1.360 42.286 40.800 0.210 0.000 1.124 90 D HN 0.194 nan 8.370 nan 0.000 0.475 91 Q N 1.904 121.824 119.800 0.201 0.000 2.293 91 Q HA 0.222 4.561 4.340 -0.001 0.000 0.251 91 Q C -0.588 175.626 176.000 0.357 0.000 0.930 91 Q CA -0.593 55.328 55.803 0.197 0.000 0.893 91 Q CB 0.560 29.381 28.738 0.138 0.000 1.215 91 Q HN 0.196 nan 8.270 nan 0.000 0.425 92 F N 2.819 122.805 119.950 0.060 0.000 2.518 92 F HA 0.200 4.727 4.527 -0.001 0.000 0.359 92 F C 0.552 176.373 175.800 0.035 0.000 1.118 92 F CA -0.671 57.358 58.000 0.048 0.000 1.287 92 F CB 0.323 39.351 39.000 0.048 0.000 1.132 92 F HN 0.371 nan 8.300 nan 0.000 0.587 93 V N 1.075 121.102 119.914 0.188 0.000 3.001 93 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 93 V C -0.369 175.764 176.094 0.065 0.000 1.099 93 V CA -1.206 61.157 62.300 0.104 0.000 0.989 93 V CB 1.832 33.698 31.823 0.071 0.000 1.040 93 V HN 0.747 nan 8.190 nan 0.000 0.434 94 N N 2.534 121.263 118.700 0.050 0.000 2.328 94 N HA 0.447 5.187 4.740 -0.001 0.000 0.277 94 N C 1.120 176.640 175.510 0.015 0.000 1.286 94 N CA 0.214 53.283 53.050 0.031 0.000 0.949 94 N CB 0.381 38.885 38.487 0.029 0.000 1.136 94 N HN 1.044 nan 8.380 nan 0.000 0.550 95 A N -0.558 122.268 122.820 0.009 0.000 1.972 95 A HA -0.121 4.199 4.320 -0.001 0.000 0.219 95 A C 1.793 179.380 177.584 0.006 0.000 1.169 95 A CA 1.357 53.396 52.037 0.003 0.000 0.635 95 A CB -0.627 18.374 19.000 0.001 0.000 0.810 95 A HN 0.735 nan 8.150 nan 0.000 0.446 96 K N -1.779 118.626 120.400 0.009 0.000 2.426 96 K HA 0.253 4.573 4.320 -0.001 0.000 0.193 96 K C 0.927 177.533 176.600 0.011 0.000 1.028 96 K CA 0.507 56.799 56.287 0.009 0.000 1.047 96 K CB 0.120 32.625 32.500 0.008 0.000 0.821 96 K HN 0.644 nan 8.250 nan 0.000 0.513 97 G N 2.151 110.960 108.800 0.015 0.000 2.132 97 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.228 97 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.228 97 G C -0.524 174.390 174.900 0.022 0.000 1.000 97 G CA -0.292 44.820 45.100 0.020 0.000 0.693 97 G HN 0.105 nan 8.290 nan 0.000 0.515 98 K N 1.074 121.487 120.400 0.021 0.000 2.205 98 K HA 0.415 4.735 4.320 -0.001 0.000 0.279 98 K C -2.472 174.146 176.600 0.031 0.000 1.027 98 K CA -1.917 54.381 56.287 0.018 0.000 0.932 98 K CB 1.821 34.327 32.500 0.011 0.000 1.032 98 K HN 0.155 nan 8.250 nan 0.000 0.466 99 P HA 0.054 nan 4.420 nan 0.000 0.268 99 P C -0.507 176.817 177.300 0.040 0.000 1.204 99 P CA 0.134 63.257 63.100 0.038 0.000 0.768 99 P CB 0.442 32.144 31.700 0.003 0.000 0.842 100 M N 3.120 122.768 119.600 0.080 0.000 2.319 100 M HA 0.056 4.536 4.480 -0.001 0.000 0.343 100 M C 0.952 177.275 176.300 0.038 0.000 1.364 100 M CA -0.015 55.334 55.300 0.081 0.000 1.292 100 M CB -0.029 32.666 32.600 0.157 0.000 1.432 100 M HN 0.239 nan 8.290 nan 0.000 0.448 101 D N 0.975 121.381 120.400 0.009 0.000 2.263 101 D HA -0.113 4.527 4.640 -0.001 0.000 0.208 101 D C 1.931 178.222 176.300 -0.014 0.000 0.971 101 D CA 1.478 55.465 54.000 -0.020 0.000 0.867 101 D CB 0.225 41.004 40.800 -0.035 0.000 0.929 101 D HN 0.607 nan 8.370 nan 0.000 0.492 102 T N -2.310 112.247 114.554 0.006 0.000 3.023 102 T HA 0.039 4.389 4.350 -0.001 0.000 0.266 102 T C 1.066 175.772 174.700 0.010 0.000 1.093 102 T CA -0.029 62.078 62.100 0.013 0.000 1.129 102 T CB 0.001 68.891 68.868 0.037 0.000 0.899 102 T HN -0.191 nan 8.240 nan 0.000 0.491 103 V N 3.850 123.756 119.914 -0.013 0.000 2.432 103 V HA 0.351 4.471 4.120 -0.001 0.000 0.275 103 V C -2.391 173.639 176.094 -0.108 0.000 1.043 103 V CA -2.377 59.882 62.300 -0.069 0.000 0.925 103 V CB 0.871 32.575 31.823 -0.199 0.000 0.985 103 V HN 0.202 nan 8.190 nan 0.000 0.466 104 P HA 0.267 nan 4.420 nan 0.000 0.267 104 P C -0.838 176.388 177.300 -0.123 0.000 1.205 104 P CA -0.115 62.909 63.100 -0.126 0.000 0.765 104 P CB 0.672 32.249 31.700 -0.205 0.000 0.828 105 L N 5.013 126.195 121.223 -0.068 0.000 2.381 105 L HA 0.710 5.050 4.340 -0.001 0.000 0.268 105 L C -1.276 175.524 176.870 -0.115 0.000 0.997 105 L CA -0.914 53.889 54.840 -0.061 0.000 0.818 105 L CB 2.413 44.503 42.059 0.053 0.000 1.310 105 L HN 0.204 nan 8.230 nan 0.000 0.416 106 V N 6.298 126.128 119.914 -0.139 0.000 2.483 106 V HA 0.812 4.931 4.120 -0.001 0.000 0.297 106 V C -0.673 175.267 176.094 -0.257 0.000 1.027 106 V CA -0.261 61.890 62.300 -0.248 0.000 0.855 106 V CB 1.466 33.156 31.823 -0.222 0.000 0.995 106 V HN 1.055 nan 8.190 nan 0.000 0.424 107 M N 5.644 125.054 119.600 -0.315 0.000 2.664 107 M HA 0.724 5.204 4.480 -0.001 0.000 0.279 107 M C -0.681 175.564 176.300 -0.092 0.000 1.275 107 M CA -1.044 54.181 55.300 -0.124 0.000 0.829 107 M CB 2.370 34.991 32.600 0.035 0.000 1.727 107 M HN 0.770 nan 8.290 nan 0.000 0.459 108 M N 1.306 120.996 119.600 0.150 0.000 2.274 108 M HA 0.732 5.211 4.480 -0.001 0.000 0.344 108 M C -0.116 176.234 176.300 0.083 0.000 1.161 108 M CA -0.345 55.057 55.300 0.170 0.000 1.126 108 M CB 1.355 34.086 32.600 0.219 0.000 1.522 108 M HN 0.760 nan 8.290 nan 0.000 0.461 109 A N 2.984 125.844 122.820 0.066 0.000 2.993 109 A HA 0.460 4.779 4.320 -0.001 0.000 0.281 109 A C 1.387 179.007 177.584 0.060 0.000 1.847 109 A CA 0.227 52.303 52.037 0.065 0.000 1.470 109 A CB -1.378 17.651 19.000 0.049 0.000 1.028 109 A HN 1.122 nan 8.150 nan 0.000 0.604 110 A N 2.060 124.922 122.820 0.070 0.000 1.859 110 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 110 A C 2.305 179.907 177.584 0.029 0.000 1.198 110 A CA 2.602 54.665 52.037 0.044 0.000 0.629 110 A CB -1.188 17.844 19.000 0.053 0.000 0.830 110 A HN 0.565 nan 8.150 nan 0.000 0.446 111 T N 0.060 114.636 114.554 0.038 0.000 2.665 111 T HA -0.154 4.196 4.350 -0.001 0.000 0.268 111 T C 1.997 176.707 174.700 0.017 0.000 1.035 111 T CA 1.662 63.776 62.100 0.024 0.000 1.151 111 T CB -0.197 68.687 68.868 0.027 0.000 0.862 111 T HN 0.356 nan 8.240 nan 0.000 0.438 112 K N 0.755 121.169 120.400 0.024 0.000 2.057 112 K HA 0.041 4.361 4.320 -0.001 0.000 0.207 112 K C 2.240 178.847 176.600 0.011 0.000 1.049 112 K CA 0.819 57.116 56.287 0.018 0.000 0.931 112 K CB -0.518 31.997 32.500 0.024 0.000 0.714 112 K HN 0.332 nan 8.250 nan 0.000 0.440 113 I N 0.469 121.046 120.570 0.012 0.000 2.252 113 I HA -0.120 4.049 4.170 -0.001 0.000 0.245 113 I C 2.418 178.530 176.117 -0.008 0.000 1.102 113 I CA 1.289 62.590 61.300 0.002 0.000 1.385 113 I CB -1.850 36.149 38.000 -0.001 0.000 1.064 113 I HN 0.147 nan 8.210 nan 0.000 0.414 114 G N 0.873 109.669 108.800 -0.007 0.000 2.446 114 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.217 114 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.217 114 G C 1.556 176.447 174.900 -0.014 0.000 1.168 114 G CA 0.546 45.638 45.100 -0.013 0.000 0.771 114 G HN 0.461 nan 8.290 nan 0.000 0.551 115 E N -0.238 119.956 120.200 -0.010 0.000 2.208 115 E HA -0.066 4.283 4.350 -0.001 0.000 0.193 115 E C 2.551 179.144 176.600 -0.013 0.000 0.988 115 E CA 0.555 56.947 56.400 -0.013 0.000 0.828 115 E CB 0.023 29.717 29.700 -0.010 0.000 0.763 115 E HN 0.267 nan 8.360 nan 0.000 0.478 116 R N 1.499 121.994 120.500 -0.008 0.000 2.093 116 R HA -0.089 4.251 4.340 -0.001 0.000 0.224 116 R C 2.113 178.408 176.300 -0.008 0.000 1.101 116 R CA 1.351 57.448 56.100 -0.005 0.000 0.979 116 R CB -0.247 30.052 30.300 -0.001 0.000 0.877 116 R HN 0.112 nan 8.270 nan 0.000 0.441 117 Q N -0.624 119.167 119.800 -0.016 0.000 2.061 117 Q HA -0.122 4.218 4.340 -0.001 0.000 0.204 117 Q C 1.739 177.725 176.000 -0.023 0.000 0.984 117 Q CA 2.019 57.808 55.803 -0.024 0.000 0.846 117 Q CB -0.469 28.250 28.738 -0.031 0.000 0.902 117 Q HN 0.505 nan 8.270 nan 0.000 0.421 118 G N 0.259 109.046 108.800 -0.022 0.000 2.421 118 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.216 118 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.216 118 G C 1.244 176.147 174.900 0.004 0.000 1.171 118 G CA 0.842 45.928 45.100 -0.023 0.000 0.775 118 G HN 0.429 nan 8.290 nan 0.000 0.543 119 Q N -0.083 119.718 119.800 0.001 0.000 2.029 119 Q HA -0.156 4.183 4.340 -0.001 0.000 0.209 119 Q C 2.548 178.575 176.000 0.046 0.000 0.999 119 Q CA 1.581 57.396 55.803 0.020 0.000 0.857 119 Q CB -0.163 28.579 28.738 0.007 0.000 0.926 119 Q HN 0.369 nan 8.270 nan 0.000 0.415 120 E N 0.448 120.660 120.200 0.019 0.000 2.150 120 E HA -0.103 4.247 4.350 -0.001 0.000 0.193 120 E C 2.106 178.694 176.600 -0.019 0.000 0.985 120 E CA 0.567 56.975 56.400 0.013 0.000 0.814 120 E CB -0.082 29.631 29.700 0.022 0.000 0.752 120 E HN 0.389 nan 8.360 nan 0.000 0.466 121 L N -0.255 120.954 121.223 -0.024 0.000 1.994 121 L HA -0.228 4.112 4.340 -0.001 0.000 0.208 121 L C 2.547 179.361 176.870 -0.094 0.000 1.071 121 L CA 1.490 56.286 54.840 -0.073 0.000 0.745 121 L CB -0.544 41.480 42.059 -0.059 0.000 0.892 121 L HN 0.139 nan 8.230 nan 0.000 0.431 122 Y N 0.729 120.956 120.300 -0.121 0.000 2.181 122 Y HA -0.304 4.246 4.550 -0.001 0.000 0.288 122 Y C 2.760 178.586 175.900 -0.124 0.000 1.146 122 Y CA 1.779 59.825 58.100 -0.090 0.000 1.164 122 Y CB -0.089 38.353 38.460 -0.029 0.000 0.982 122 Y HN 0.028 nan 8.280 nan 0.000 0.515 123 K N -0.011 120.386 120.400 -0.003 0.000 2.032 123 K HA -0.278 4.041 4.320 -0.001 0.000 0.209 123 K C 2.078 178.545 176.600 -0.222 0.000 1.048 123 K CA 1.979 58.224 56.287 -0.071 0.000 0.927 123 K CB -0.196 32.291 32.500 -0.021 0.000 0.712 123 K HN 0.234 nan 8.250 nan 0.000 0.441 124 E N 0.908 120.928 120.200 -0.299 0.000 2.106 124 E HA -0.160 4.190 4.350 -0.001 0.000 0.192 124 E C 1.931 178.161 176.600 -0.617 0.000 0.984 124 E CA 1.198 57.308 56.400 -0.483 0.000 0.806 124 E CB -0.155 29.141 29.700 -0.674 0.000 0.750 124 E HN 0.318 nan 8.360 nan 0.000 0.458 125 M N -0.116 119.094 119.600 -0.651 0.000 2.065 125 M HA -0.268 4.212 4.480 -0.001 0.000 0.259 125 M C 2.166 178.071 176.300 -0.657 0.000 1.069 125 M CA 1.826 56.613 55.300 -0.855 0.000 1.110 125 M CB -0.120 32.100 32.600 -0.634 0.000 1.328 125 M HN 0.136 nan 8.290 nan 0.000 0.405 126 Q N -0.034 119.451 119.800 -0.524 0.000 2.096 126 Q HA -0.257 4.083 4.340 -0.001 0.000 0.204 126 Q C 2.047 177.877 176.000 -0.283 0.000 0.982 126 Q CA 1.931 57.513 55.803 -0.369 0.000 0.850 126 Q CB -0.115 28.449 28.738 -0.289 0.000 0.901 126 Q HN 0.506 nan 8.270 nan 0.000 0.422 127 K N 0.280 120.496 120.400 -0.306 0.000 2.063 127 K HA -0.150 4.169 4.320 -0.001 0.000 0.208 127 K C 1.893 178.345 176.600 -0.248 0.000 1.048 127 K CA 1.258 57.398 56.287 -0.245 0.000 0.928 127 K CB 0.113 32.457 32.500 -0.260 0.000 0.713 127 K HN 0.040 nan 8.250 nan 0.000 0.442 128 R N -1.475 118.800 120.500 -0.376 0.000 2.246 128 R HA 0.070 4.410 4.340 -0.001 0.000 0.199 128 R C 0.779 176.974 176.300 -0.176 0.000 0.984 128 R CA 0.618 56.520 56.100 -0.331 0.000 1.015 128 R CB 0.561 30.488 30.300 -0.623 0.000 0.930 128 R HN 0.382 nan 8.270 nan 0.000 0.475 129 G N 0.832 109.515 108.800 -0.196 0.000 2.198 129 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.257 129 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.257 129 G C -0.484 174.441 174.900 0.041 0.000 1.042 129 G CA -0.260 44.797 45.100 -0.072 0.000 0.791 129 G HN 0.162 nan 8.290 nan 0.000 0.502 130 W N 0.576 121.745 121.300 -0.217 0.000 2.231 130 W HA 0.409 5.069 4.660 -0.001 0.000 0.341 130 W C 0.651 177.081 176.519 -0.148 0.000 1.298 130 W CA -0.470 56.701 57.345 -0.289 0.000 1.266 130 W CB 0.298 29.562 29.460 -0.327 0.000 1.172 130 W HN 0.289 nan 8.180 nan 0.000 0.568 131 D N 2.350 122.825 120.400 0.124 0.000 2.339 131 D HA -0.002 4.638 4.640 -0.001 0.000 0.256 131 D C 1.022 177.387 176.300 0.108 0.000 1.214 131 D CA -0.000 54.055 54.000 0.092 0.000 0.877 131 D CB 1.383 42.228 40.800 0.075 0.000 1.111 131 D HN 0.196 nan 8.370 nan 0.000 0.478 132 V N 5.169 125.110 119.914 0.046 0.000 2.453 132 V HA -0.274 3.845 4.120 -0.001 0.000 0.252 132 V C 1.881 177.934 176.094 -0.068 0.000 1.068 132 V CA 1.966 64.249 62.300 -0.029 0.000 1.070 132 V CB -0.310 31.432 31.823 -0.135 0.000 0.664 132 V HN 0.583 nan 8.190 nan 0.000 0.461 133 K N 0.461 120.839 120.400 -0.037 0.000 2.147 133 K HA -0.139 4.180 4.320 -0.001 0.000 0.205 133 K C 1.501 178.077 176.600 -0.039 0.000 1.049 133 K CA 1.772 58.031 56.287 -0.046 0.000 0.936 133 K CB -0.140 32.344 32.500 -0.026 0.000 0.722 133 K HN 0.824 nan 8.250 nan 0.000 0.446 134 E N 0.117 120.308 120.200 -0.015 0.000 2.624 134 E HA 0.166 4.516 4.350 -0.001 0.000 0.210 134 E C -0.503 176.018 176.600 -0.132 0.000 0.997 134 E CA -0.263 56.087 56.400 -0.083 0.000 0.999 134 E CB 0.853 30.488 29.700 -0.108 0.000 1.040 134 E HN -0.106 nan 8.360 nan 0.000 0.469 135 S N 0.728 116.421 115.700 -0.010 0.000 2.638 135 S HA 0.827 5.296 4.470 -0.001 0.000 0.298 135 S C -0.436 174.182 174.600 0.030 0.000 1.111 135 S CA -0.485 57.738 58.200 0.038 0.000 1.027 135 S CB 1.816 65.232 63.200 0.361 0.000 1.064 135 S HN 0.426 nan 8.310 nan 0.000 0.525 136 A N 0.924 123.700 122.820 -0.074 0.000 2.606 136 A HA 0.731 5.051 4.320 -0.001 0.000 0.293 136 A C -1.574 175.991 177.584 -0.032 0.000 1.082 136 A CA -0.607 51.381 52.037 -0.082 0.000 0.685 136 A CB 1.022 19.729 19.000 -0.487 0.000 1.284 136 A HN 0.572 nan 8.150 nan 0.000 0.408 137 V N 1.998 121.887 119.914 -0.041 0.000 2.398 137 V HA 0.522 4.642 4.120 -0.001 0.000 0.286 137 V C 0.079 176.316 176.094 0.238 0.000 1.026 137 V CA -0.212 62.078 62.300 -0.016 0.000 0.868 137 V CB 1.438 33.073 31.823 -0.313 0.000 0.982 137 V HN 0.888 nan 8.190 nan 0.000 0.443 138 M N 5.440 125.229 119.600 0.316 0.000 2.055 138 M HA 0.669 5.148 4.480 -0.001 0.000 0.347 138 M C -0.185 176.143 176.300 0.046 0.000 1.123 138 M CA -0.533 54.869 55.300 0.170 0.000 1.035 138 M CB 0.834 33.372 32.600 -0.102 0.000 1.484 138 M HN 0.708 nan 8.290 nan 0.000 0.428 139 A N 7.339 130.186 122.820 0.045 0.000 2.341 139 A HA 0.563 4.882 4.320 -0.001 0.000 0.326 139 A C -0.583 177.008 177.584 0.012 0.000 1.402 139 A CA -0.666 51.380 52.037 0.015 0.000 0.957 139 A CB -0.197 18.809 19.000 0.010 0.000 1.151 139 A HN 0.942 nan 8.150 nan 0.000 0.533 140 I N 3.323 123.891 120.570 -0.003 0.000 2.337 140 I HA 0.291 4.461 4.170 -0.001 0.000 0.291 140 I C 0.757 176.877 176.117 0.004 0.000 1.046 140 I CA 0.049 61.347 61.300 -0.004 0.000 1.324 140 I CB 1.143 39.135 38.000 -0.014 0.000 1.409 140 I HN 0.654 nan 8.210 nan 0.000 0.494 141 T N 2.599 117.158 114.554 0.009 0.000 2.912 141 T HA 0.809 5.159 4.350 -0.001 0.000 0.288 141 T C -0.276 174.432 174.700 0.013 0.000 1.030 141 T CA -0.932 61.175 62.100 0.011 0.000 1.020 141 T CB 2.139 71.016 68.868 0.015 0.000 1.056 141 T HN 0.625 nan 8.240 nan 0.000 0.480 142 A N 2.381 125.209 122.820 0.014 0.000 3.159 142 A HA 0.433 4.753 4.320 -0.001 0.000 0.330 142 A C 0.918 178.513 177.584 0.019 0.000 1.032 142 A CA -0.822 51.225 52.037 0.017 0.000 0.841 142 A CB -0.290 18.721 19.000 0.018 0.000 1.093 142 A HN 0.759 nan 8.150 nan 0.000 0.478 143 N N 0.491 119.202 118.700 0.018 0.000 2.453 143 N HA -0.112 4.628 4.740 -0.001 0.000 0.183 143 N C 1.117 176.640 175.510 0.021 0.000 1.041 143 N CA 1.114 54.175 53.050 0.019 0.000 0.900 143 N CB 0.249 38.747 38.487 0.018 0.000 0.961 143 N HN 0.767 nan 8.380 nan 0.000 0.443 144 E N -0.210 120.003 120.200 0.022 0.000 2.358 144 E HA 0.019 4.368 4.350 -0.001 0.000 0.195 144 E C -0.178 176.440 176.600 0.030 0.000 1.010 144 E CA 0.102 56.516 56.400 0.023 0.000 0.856 144 E CB 0.194 29.906 29.700 0.020 0.000 0.795 144 E HN 0.085 nan 8.360 nan 0.000 0.504 145 L N 0.502 121.745 121.223 0.033 0.000 2.280 145 L HA 0.209 4.548 4.340 -0.001 0.000 0.287 145 L C 0.368 177.264 176.870 0.043 0.000 1.023 145 L CA -0.028 54.838 54.840 0.044 0.000 0.819 145 L CB 1.400 43.486 42.059 0.045 0.000 1.212 145 L HN -0.171 nan 8.230 nan 0.000 0.420 146 D N 1.650 122.080 120.400 0.051 0.000 2.108 146 D HA -0.248 4.392 4.640 -0.001 0.000 0.190 146 D C 1.688 178.016 176.300 0.047 0.000 0.995 146 D CA 2.204 56.233 54.000 0.047 0.000 0.834 146 D CB 0.308 41.140 40.800 0.053 0.000 0.967 146 D HN 0.723 nan 8.370 nan 0.000 0.446 147 T N -1.379 113.212 114.554 0.061 0.000 2.778 147 T HA -0.172 4.177 4.350 -0.001 0.000 0.269 147 T C 1.732 176.449 174.700 0.028 0.000 1.050 147 T CA 1.941 64.076 62.100 0.057 0.000 1.137 147 T CB -0.469 68.444 68.868 0.074 0.000 0.860 147 T HN 0.241 nan 8.240 nan 0.000 0.468 148 A N 0.950 123.784 122.820 0.023 0.000 1.898 148 A HA 0.107 4.427 4.320 -0.001 0.000 0.214 148 A C 2.367 179.957 177.584 0.009 0.000 1.183 148 A CA 1.540 53.582 52.037 0.007 0.000 0.622 148 A CB -0.664 18.343 19.000 0.011 0.000 0.824 148 A HN 0.555 nan 8.150 nan 0.000 0.444 149 R N -0.054 120.456 120.500 0.017 0.000 2.080 149 R HA -0.160 4.179 4.340 -0.001 0.000 0.236 149 R C 2.315 178.622 176.300 0.012 0.000 1.137 149 R CA 1.801 57.910 56.100 0.015 0.000 0.943 149 R CB -0.252 30.060 30.300 0.019 0.000 0.846 149 R HN 0.492 nan 8.270 nan 0.000 0.431 150 R N -0.161 120.349 120.500 0.017 0.000 2.148 150 R HA -0.101 4.238 4.340 -0.001 0.000 0.227 150 R C 2.352 178.658 176.300 0.010 0.000 1.103 150 R CA 1.028 57.138 56.100 0.016 0.000 0.983 150 R CB -0.331 29.986 30.300 0.028 0.000 0.874 150 R HN 0.303 nan 8.270 nan 0.000 0.451 151 R N 0.522 121.025 120.500 0.005 0.000 2.057 151 R HA -0.078 4.262 4.340 -0.001 0.000 0.229 151 R C 2.542 178.836 176.300 -0.010 0.000 1.136 151 R CA 2.105 58.202 56.100 -0.006 0.000 0.952 151 R CB -0.271 30.018 30.300 -0.019 0.000 0.848 151 R HN 0.353 nan 8.270 nan 0.000 0.430 152 T N -2.318 112.231 114.554 -0.008 0.000 2.857 152 T HA -0.043 4.307 4.350 -0.001 0.000 0.266 152 T C 1.895 176.589 174.700 -0.010 0.000 1.048 152 T CA 1.544 63.638 62.100 -0.010 0.000 1.139 152 T CB -0.391 68.473 68.868 -0.006 0.000 0.874 152 T HN 0.088 nan 8.240 nan 0.000 0.455 153 T N 1.590 116.142 114.554 -0.004 0.000 2.746 153 T HA 0.055 4.405 4.350 -0.001 0.000 0.267 153 T C 2.291 176.986 174.700 -0.008 0.000 1.039 153 T CA 1.318 63.416 62.100 -0.004 0.000 1.142 153 T CB -1.056 67.812 68.868 0.001 0.000 0.866 153 T HN 0.615 nan 8.240 nan 0.000 0.444 154 G N 0.486 109.282 108.800 -0.007 0.000 2.422 154 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.218 154 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.218 154 G C 1.861 176.751 174.900 -0.017 0.000 1.146 154 G CA 1.208 46.302 45.100 -0.009 0.000 0.769 154 G HN 0.517 nan 8.290 nan 0.000 0.547 155 S N -0.230 115.458 115.700 -0.021 0.000 2.355 155 S HA -0.026 4.444 4.470 -0.001 0.000 0.222 155 S C 2.510 177.087 174.600 -0.039 0.000 1.031 155 S CA 1.346 59.528 58.200 -0.030 0.000 0.993 155 S CB -0.280 62.900 63.200 -0.033 0.000 0.859 155 S HN 0.361 nan 8.310 nan 0.000 0.453 156 M N 0.920 120.500 119.600 -0.034 0.000 2.117 156 M HA -0.111 4.368 4.480 -0.001 0.000 0.262 156 M C 1.789 178.073 176.300 -0.026 0.000 1.065 156 M CA 1.582 56.860 55.300 -0.036 0.000 1.114 156 M CB -0.653 31.932 32.600 -0.025 0.000 1.361 156 M HN 0.234 nan 8.290 nan 0.000 0.408 157 D N 0.731 121.118 120.400 -0.022 0.000 2.104 157 D HA -0.127 4.513 4.640 -0.001 0.000 0.194 157 D C 1.982 178.262 176.300 -0.033 0.000 0.994 157 D CA 1.808 55.796 54.000 -0.021 0.000 0.830 157 D CB -0.224 40.567 40.800 -0.017 0.000 0.959 157 D HN 0.347 nan 8.370 nan 0.000 0.452 158 A N 0.164 122.961 122.820 -0.038 0.000 1.930 158 A HA -0.088 4.232 4.320 -0.001 0.000 0.217 158 A C 2.378 179.912 177.584 -0.083 0.000 1.175 158 A CA 0.832 52.837 52.037 -0.054 0.000 0.627 158 A CB -0.690 18.285 19.000 -0.042 0.000 0.815 158 A HN 0.202 nan 8.150 nan 0.000 0.443 159 L N -0.633 120.554 121.223 -0.061 0.000 2.027 159 L HA -0.170 4.170 4.340 -0.001 0.000 0.206 159 L C 2.578 179.439 176.870 -0.014 0.000 1.074 159 L CA 1.585 56.398 54.840 -0.044 0.000 0.745 159 L CB -0.314 41.711 42.059 -0.057 0.000 0.898 159 L HN 0.312 nan 8.230 nan 0.000 0.433 160 K N -0.256 120.147 120.400 0.004 0.000 2.097 160 K HA -0.139 4.181 4.320 -0.001 0.000 0.206 160 K C 2.126 178.700 176.600 -0.043 0.000 1.049 160 K CA 1.310 57.606 56.287 0.015 0.000 0.933 160 K CB -0.214 32.293 32.500 0.011 0.000 0.717 160 K HN 0.301 nan 8.250 nan 0.000 0.442 161 A N 1.197 123.973 122.820 -0.073 0.000 1.968 161 A HA -0.013 4.307 4.320 -0.001 0.000 0.217 161 A C 2.231 179.722 177.584 -0.155 0.000 1.169 161 A CA 1.548 53.530 52.037 -0.091 0.000 0.638 161 A CB -0.331 18.624 19.000 -0.076 0.000 0.812 161 A HN 0.308 nan 8.150 nan 0.000 0.446 162 A N -2.103 120.557 122.820 -0.266 0.000 2.123 162 A HA 0.407 4.727 4.320 -0.001 0.000 0.214 162 A C 1.744 179.006 177.584 -0.536 0.000 1.152 162 A CA 1.476 53.193 52.037 -0.533 0.000 0.728 162 A CB -0.463 17.959 19.000 -0.962 0.000 0.814 162 A HN 1.724 nan 8.150 nan 0.000 0.464 163 G N -2.489 106.150 108.800 -0.268 0.000 2.205 163 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.180 163 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.180 163 G C 0.003 174.907 174.900 0.007 0.000 1.004 163 G CA -0.131 44.912 45.100 -0.095 0.000 0.670 163 G HN 0.470 nan 8.290 nan 0.000 0.496 164 F N 4.389 124.320 119.950 -0.032 0.000 2.571 164 F HA 0.449 4.976 4.527 -0.001 0.000 0.384 164 F C -1.195 174.610 175.800 0.008 0.000 1.058 164 F CA -1.848 56.204 58.000 0.087 0.000 1.200 164 F CB 0.546 39.631 39.000 0.140 0.000 1.077 164 F HN -0.020 nan 8.300 nan 0.000 0.558 165 P HA -0.092 nan 4.420 nan 0.000 0.261 165 P C 0.445 177.744 177.300 -0.002 0.000 1.183 165 P CA 0.395 63.375 63.100 -0.199 0.000 0.761 165 P CB 0.595 32.103 31.700 -0.320 0.000 0.785 166 E N 3.174 123.381 120.200 0.012 0.000 2.118 166 E HA -0.223 4.126 4.350 -0.001 0.000 0.195 166 E C 1.431 178.025 176.600 -0.009 0.000 0.992 166 E CA 1.489 57.906 56.400 0.028 0.000 0.804 166 E CB 0.143 29.849 29.700 0.010 0.000 0.741 166 E HN 0.528 nan 8.360 nan 0.000 0.458 167 K N -0.382 120.000 120.400 -0.030 0.000 2.459 167 K HA -0.036 4.283 4.320 -0.001 0.000 0.193 167 K C 1.237 177.763 176.600 -0.124 0.000 1.030 167 K CA 0.686 56.955 56.287 -0.030 0.000 1.026 167 K CB 0.222 32.727 32.500 0.010 0.000 0.809 167 K HN -0.020 nan 8.250 nan 0.000 0.504 168 Q N 0.865 120.557 119.800 -0.179 0.000 2.175 168 Q HA 0.341 4.681 4.340 -0.001 0.000 0.225 168 Q C -0.789 174.916 176.000 -0.492 0.000 0.837 168 Q CA -0.190 55.414 55.803 -0.332 0.000 1.032 168 Q CB 0.599 29.293 28.738 -0.074 0.000 1.137 168 Q HN 0.320 nan 8.270 nan 0.000 0.483 169 I N 1.226 121.483 120.570 -0.522 0.000 2.354 169 I HA 0.288 4.457 4.170 -0.001 0.000 0.286 169 I C -1.030 174.818 176.117 -0.448 0.000 1.007 169 I CA -0.851 60.218 61.300 -0.385 0.000 1.167 169 I CB 0.732 38.664 38.000 -0.112 0.000 1.320 169 I HN 0.064 nan 8.210 nan 0.000 0.458 170 Y N 4.801 125.141 120.300 0.066 0.000 2.328 170 Y HA 0.424 4.973 4.550 -0.001 0.000 0.337 170 Y C 0.101 176.032 175.900 0.051 0.000 0.966 170 Y CA -0.905 57.230 58.100 0.058 0.000 1.136 170 Y CB 1.266 39.744 38.460 0.031 0.000 1.170 170 Y HN 0.478 nan 8.280 nan 0.000 0.470 171 Q N 2.339 122.243 119.800 0.174 0.000 2.222 171 Q HA 0.678 5.018 4.340 -0.001 0.000 0.252 171 Q C -1.217 174.839 176.000 0.092 0.000 0.926 171 Q CA -1.126 54.736 55.803 0.099 0.000 0.899 171 Q CB 2.984 31.762 28.738 0.067 0.000 1.250 171 Q HN 0.515 nan 8.270 nan 0.000 0.441 172 V N 2.935 122.880 119.914 0.052 0.000 2.697 172 V HA 0.381 4.501 4.120 -0.001 0.000 0.300 172 V C -2.631 173.473 176.094 0.017 0.000 1.115 172 V CA -2.130 60.188 62.300 0.031 0.000 0.912 172 V CB 2.395 34.225 31.823 0.011 0.000 1.024 172 V HN 0.650 nan 8.190 nan 0.000 0.431 173 P HA 0.208 nan 4.420 nan 0.000 0.271 173 P C -0.438 176.869 177.300 0.011 0.000 1.216 173 P CA 0.337 63.446 63.100 0.016 0.000 0.771 173 P CB 1.130 32.841 31.700 0.018 0.000 0.864 174 T N 1.791 116.352 114.554 0.012 0.000 2.902 174 T HA 0.230 4.579 4.350 -0.001 0.000 0.283 174 T C 1.181 175.891 174.700 0.018 0.000 1.009 174 T CA -0.634 61.475 62.100 0.014 0.000 1.051 174 T CB 0.514 69.392 68.868 0.016 0.000 0.999 174 T HN 0.249 nan 8.240 nan 0.000 0.474 175 K N 1.615 122.027 120.400 0.020 0.000 2.365 175 K HA 0.152 4.471 4.320 -0.001 0.000 0.197 175 K C 0.360 176.972 176.600 0.020 0.000 1.042 175 K CA 0.161 56.459 56.287 0.019 0.000 0.987 175 K CB 0.283 32.795 32.500 0.020 0.000 0.779 175 K HN 0.660 nan 8.250 nan 0.000 0.484 176 S N -0.206 115.508 115.700 0.023 0.000 2.537 176 S HA 0.297 4.766 4.470 -0.001 0.000 0.270 176 S C -0.901 173.715 174.600 0.027 0.000 1.142 176 S CA -1.188 57.026 58.200 0.024 0.000 0.870 176 S CB 1.111 64.325 63.200 0.023 0.000 1.112 176 S HN -0.038 nan 8.310 nan 0.000 0.466 177 N N 2.738 121.455 118.700 0.028 0.000 3.250 177 N HA 0.279 5.019 4.740 -0.001 0.000 0.307 177 N C -0.854 174.676 175.510 0.033 0.000 1.355 177 N CA -0.005 53.063 53.050 0.030 0.000 1.192 177 N CB -0.265 38.241 38.487 0.032 0.000 1.478 177 N HN 0.826 nan 8.380 nan 0.000 0.543 178 D N -2.120 118.299 120.400 0.032 0.000 2.744 178 D HA 0.297 4.936 4.640 -0.001 0.000 0.304 178 D C 1.144 177.465 176.300 0.036 0.000 1.179 178 D CA -0.737 53.281 54.000 0.031 0.000 1.024 178 D CB 0.471 41.287 40.800 0.026 0.000 1.453 178 D HN -0.153 nan 8.370 nan 0.000 0.529 179 I N -0.346 120.240 120.570 0.028 0.000 2.202 179 I HA -0.079 4.091 4.170 -0.001 0.000 0.242 179 I C -0.901 175.261 176.117 0.075 0.000 1.091 179 I CA 0.862 62.186 61.300 0.040 0.000 1.368 179 I CB -1.064 36.937 38.000 0.002 0.000 1.058 179 I HN 0.281 nan 8.210 nan 0.000 0.410 180 P HA -0.145 nan 4.420 nan 0.000 0.215 180 P C 1.611 178.977 177.300 0.111 0.000 1.157 180 P CA 1.807 64.932 63.100 0.042 0.000 0.868 180 P CB -0.270 31.430 31.700 0.000 0.000 0.788 181 G N 0.201 109.046 108.800 0.075 0.000 2.480 181 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.216 181 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.216 181 G C 1.705 176.651 174.900 0.076 0.000 1.200 181 G CA 1.233 46.373 45.100 0.066 0.000 0.782 181 G HN 0.337 nan 8.290 nan 0.000 0.554 182 A N 0.088 122.954 122.820 0.076 0.000 1.933 182 A HA 0.087 4.406 4.320 -0.001 0.000 0.218 182 A C 2.175 179.793 177.584 0.058 0.000 1.175 182 A CA 1.577 53.646 52.037 0.053 0.000 0.628 182 A CB -0.535 18.494 19.000 0.050 0.000 0.814 182 A HN 0.419 nan 8.150 nan 0.000 0.444 183 F N 1.313 121.248 119.950 -0.025 0.000 2.046 183 F HA -0.247 4.280 4.527 -0.001 0.000 0.297 183 F C 1.921 177.701 175.800 -0.033 0.000 1.123 183 F CA 2.322 60.304 58.000 -0.030 0.000 1.199 183 F CB -0.228 38.760 39.000 -0.021 0.000 0.972 183 F HN 0.239 nan 8.300 nan 0.000 0.474 184 D N 0.652 121.158 120.400 0.178 0.000 2.106 184 D HA -0.239 4.401 4.640 -0.001 0.000 0.191 184 D C 2.390 178.654 176.300 -0.061 0.000 0.997 184 D CA 1.760 55.802 54.000 0.070 0.000 0.834 184 D CB -0.966 39.900 40.800 0.110 0.000 0.956 184 D HN 0.406 nan 8.370 nan 0.000 0.448 185 A N 1.152 123.947 122.820 -0.041 0.000 1.859 185 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 185 A C 2.363 179.871 177.584 -0.126 0.000 1.198 185 A CA 3.007 55.008 52.037 -0.059 0.000 0.629 185 A CB -1.053 17.927 19.000 -0.032 0.000 0.830 185 A HN 0.266 nan 8.150 nan 0.000 0.446 186 A N -0.266 122.444 122.820 -0.184 0.000 1.902 186 A HA -0.237 4.083 4.320 -0.001 0.000 0.217 186 A C 1.974 179.357 177.584 -0.336 0.000 1.181 186 A CA 2.244 54.114 52.037 -0.278 0.000 0.623 186 A CB -0.863 17.957 19.000 -0.299 0.000 0.818 186 A HN 0.629 nan 8.150 nan 0.000 0.443 187 N N 0.307 118.774 118.700 -0.388 0.000 2.104 187 N HA -0.181 4.558 4.740 -0.001 0.000 0.190 187 N C 1.948 177.333 175.510 -0.207 0.000 1.024 187 N CA 2.213 55.039 53.050 -0.372 0.000 0.853 187 N CB -0.239 37.950 38.487 -0.497 0.000 1.008 187 N HN 0.527 nan 8.380 nan 0.000 0.424 188 S N -1.059 114.547 115.700 -0.155 0.000 2.453 188 S HA -0.120 4.349 4.470 -0.001 0.000 0.231 188 S C 1.849 176.406 174.600 -0.071 0.000 1.005 188 S CA 0.877 59.025 58.200 -0.087 0.000 0.949 188 S CB -0.230 62.936 63.200 -0.056 0.000 0.774 188 S HN 0.383 nan 8.310 nan 0.000 0.510 189 M N 1.033 120.571 119.600 -0.103 0.000 2.394 189 M HA 0.403 4.883 4.480 -0.001 0.000 0.266 189 M C 1.690 177.972 176.300 -0.031 0.000 1.098 189 M CA 1.094 56.361 55.300 -0.055 0.000 1.149 189 M CB -0.531 32.011 32.600 -0.096 0.000 1.369 189 M HN 0.314 nan 8.290 nan 0.000 0.450 190 L N -0.310 120.822 121.223 -0.153 0.000 2.027 190 L HA -0.122 4.218 4.340 -0.001 0.000 0.206 190 L C 2.269 179.192 176.870 0.088 0.000 1.074 190 L CA 1.337 56.126 54.840 -0.085 0.000 0.745 190 L CB -0.896 41.046 42.059 -0.195 0.000 0.898 190 L HN 0.357 nan 8.230 nan 0.000 0.433 191 V N -3.602 116.319 119.914 0.011 0.000 3.078 191 V HA -0.174 3.946 4.120 -0.001 0.000 0.265 191 V C 1.819 177.902 176.094 -0.019 0.000 1.122 191 V CA 1.115 63.421 62.300 0.010 0.000 1.141 191 V CB -0.677 31.136 31.823 -0.017 0.000 0.735 191 V HN 0.511 nan 8.190 nan 0.000 0.498 192 Q N -0.642 119.135 119.800 -0.038 0.000 2.402 192 Q HA 0.148 4.488 4.340 -0.001 0.000 0.206 192 Q C 0.257 175.990 176.000 -0.444 0.000 0.919 192 Q CA 0.536 56.220 55.803 -0.198 0.000 0.923 192 Q CB 0.233 28.856 28.738 -0.191 0.000 1.048 192 Q HN 0.768 nan 8.270 nan 0.000 0.515 193 H N 0.019 119.121 119.070 0.053 0.000 2.380 193 H HA 0.159 4.715 4.556 -0.001 0.000 0.231 193 H C -1.912 173.516 175.328 0.168 0.000 1.415 193 H CA -1.634 54.468 56.048 0.091 0.000 1.433 193 H CB 1.201 31.075 29.762 0.187 0.000 1.544 193 H HN 0.112 nan 8.280 nan 0.000 0.503 194 P HA -0.130 nan 4.420 nan 0.000 0.223 194 P C 1.405 178.751 177.300 0.076 0.000 1.151 194 P CA 0.880 64.038 63.100 0.097 0.000 0.787 194 P CB 0.496 32.209 31.700 0.023 0.000 0.788 195 E N 0.289 120.526 120.200 0.063 0.000 2.285 195 E HA -0.011 4.338 4.350 -0.001 0.000 0.194 195 E C 0.544 177.122 176.600 -0.036 0.000 0.997 195 E CA 0.385 56.792 56.400 0.012 0.000 0.845 195 E CB -0.929 28.782 29.700 0.020 0.000 0.782 195 E HN 0.045 nan 8.360 nan 0.000 0.491 196 V N 2.596 122.492 119.914 -0.029 0.000 2.614 196 V HA 0.058 4.177 4.120 -0.001 0.000 0.291 196 V C 1.247 177.247 176.094 -0.157 0.000 1.049 196 V CA -0.046 62.103 62.300 -0.251 0.000 1.038 196 V CB 1.467 32.886 31.823 -0.674 0.000 0.980 196 V HN 0.140 nan 8.190 nan 0.000 0.481 197 K N 2.475 122.616 120.400 -0.432 0.000 2.399 197 K HA 0.261 4.580 4.320 -0.001 0.000 0.196 197 K C 0.000 176.169 176.600 -0.719 0.000 1.103 197 K CA 0.258 56.223 56.287 -0.537 0.000 0.986 197 K CB 0.623 32.601 32.500 -0.869 0.000 0.952 197 K HN 0.788 nan 8.250 nan 0.000 0.541 198 H N -0.883 117.909 119.070 -0.463 0.000 2.856 198 H HA 0.263 4.818 4.556 -0.001 0.000 0.355 198 H C -1.329 173.577 175.328 -0.703 0.000 1.079 198 H CA -0.732 54.805 56.048 -0.851 0.000 1.240 198 H CB 0.616 29.231 29.762 -1.913 0.000 1.701 198 H HN -0.052 nan 8.280 nan 0.000 0.527 199 W N 2.708 123.844 121.300 -0.273 0.000 2.587 199 W HA 0.505 5.165 4.660 -0.001 0.000 0.324 199 W C -0.351 176.263 176.519 0.158 0.000 1.040 199 W CA -0.709 56.580 57.345 -0.094 0.000 1.222 199 W CB 1.613 30.909 29.460 -0.273 0.000 1.381 199 W HN 0.274 nan 8.180 nan 0.000 0.483 200 L N 4.953 126.400 121.223 0.373 0.000 2.292 200 L HA 0.499 4.838 4.340 -0.001 0.000 0.284 200 L C -0.191 176.772 176.870 0.154 0.000 1.065 200 L CA -0.731 54.229 54.840 0.200 0.000 0.806 200 L CB 0.566 42.629 42.059 0.007 0.000 1.175 200 L HN 0.303 nan 8.230 nan 0.000 0.431 201 I N 3.806 124.430 120.570 0.090 0.000 2.339 201 I HA 0.327 4.497 4.170 -0.001 0.000 0.290 201 I C -0.389 175.732 176.117 0.007 0.000 0.994 201 I CA -0.581 60.742 61.300 0.039 0.000 1.191 201 I CB 1.913 39.928 38.000 0.025 0.000 1.343 201 I HN 0.223 nan 8.210 nan 0.000 0.458 202 V N 5.474 125.386 119.914 -0.003 0.000 2.398 202 V HA 0.863 4.983 4.120 -0.001 0.000 0.286 202 V C 0.379 176.469 176.094 -0.006 0.000 1.026 202 V CA -0.213 62.078 62.300 -0.015 0.000 0.868 202 V CB 1.523 33.329 31.823 -0.029 0.000 0.982 202 V HN 0.941 nan 8.190 nan 0.000 0.443 203 G N 3.337 112.135 108.800 -0.003 0.000 2.698 203 G HA2 0.476 4.435 3.960 -0.001 0.000 0.293 203 G HA3 0.476 4.435 3.960 -0.001 0.000 0.293 203 G C -0.054 174.843 174.900 -0.006 0.000 1.437 203 G CA -0.381 44.721 45.100 0.003 0.000 0.852 203 G HN 0.746 nan 8.290 nan 0.000 0.499 204 M N 0.132 119.724 119.600 -0.012 0.000 2.419 204 M HA 0.293 4.773 4.480 -0.001 0.000 0.264 204 M C 0.504 176.768 176.300 -0.060 0.000 1.082 204 M CA 0.780 56.060 55.300 -0.033 0.000 1.119 204 M CB -0.251 32.332 32.600 -0.029 0.000 1.398 204 M HN 0.524 nan 8.290 nan 0.000 0.453 205 N N -1.647 117.030 118.700 -0.039 0.000 3.039 205 N HA 0.217 4.956 4.740 -0.001 0.000 0.257 205 N C -0.665 174.860 175.510 0.026 0.000 1.497 205 N CA -0.470 52.546 53.050 -0.055 0.000 0.861 205 N CB 0.108 38.523 38.487 -0.120 0.000 1.479 205 N HN -0.112 nan 8.380 nan 0.000 0.547 206 D N 0.257 120.683 120.400 0.042 0.000 2.092 206 D HA -0.120 4.519 4.640 -0.001 0.000 0.193 206 D C 1.338 177.679 176.300 0.069 0.000 0.994 206 D CA 1.798 55.875 54.000 0.128 0.000 0.828 206 D CB -0.307 40.540 40.800 0.079 0.000 0.963 206 D HN 0.553 nan 8.370 nan 0.000 0.450 207 S N -0.038 115.671 115.700 0.015 0.000 2.359 207 S HA -0.148 4.322 4.470 -0.001 0.000 0.224 207 S C 2.125 176.743 174.600 0.030 0.000 1.035 207 S CA 1.637 59.839 58.200 0.003 0.000 1.018 207 S CB -0.418 62.788 63.200 0.010 0.000 0.876 207 S HN 0.324 nan 8.310 nan 0.000 0.448 208 T N 1.779 116.356 114.554 0.040 0.000 2.720 208 T HA -0.069 4.280 4.350 -0.001 0.000 0.268 208 T C 1.896 176.634 174.700 0.063 0.000 1.037 208 T CA 1.369 63.494 62.100 0.042 0.000 1.144 208 T CB -0.414 68.470 68.868 0.026 0.000 0.864 208 T HN 0.211 nan 8.240 nan 0.000 0.444 209 V N 1.200 121.178 119.914 0.108 0.000 2.453 209 V HA -0.046 4.073 4.120 -0.001 0.000 0.247 209 V C 2.458 178.677 176.094 0.207 0.000 1.048 209 V CA 1.190 63.591 62.300 0.168 0.000 1.049 209 V CB -0.635 31.330 31.823 0.237 0.000 0.672 209 V HN 0.411 nan 8.190 nan 0.000 0.457 210 L N 0.338 121.651 121.223 0.150 0.000 2.017 210 L HA -0.092 4.248 4.340 -0.001 0.000 0.208 210 L C 2.673 179.585 176.870 0.070 0.000 1.073 210 L CA 1.807 56.668 54.840 0.036 0.000 0.745 210 L CB -1.139 40.836 42.059 -0.139 0.000 0.894 210 L HN 0.465 nan 8.230 nan 0.000 0.432 211 G N -0.373 108.473 108.800 0.077 0.000 2.476 211 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.218 211 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.218 211 G C 1.549 176.515 174.900 0.111 0.000 1.164 211 G CA 0.858 46.036 45.100 0.129 0.000 0.768 211 G HN 0.506 nan 8.290 nan 0.000 0.560 212 G N 0.257 109.082 108.800 0.041 0.000 2.446 212 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.217 212 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.217 212 G C 1.808 176.687 174.900 -0.035 0.000 1.168 212 G CA 1.344 46.418 45.100 -0.043 0.000 0.771 212 G HN 0.348 nan 8.290 nan 0.000 0.551 213 V N 0.866 120.815 119.914 0.058 0.000 2.295 213 V HA -0.135 3.985 4.120 -0.001 0.000 0.246 213 V C 2.989 179.140 176.094 0.094 0.000 1.049 213 V CA 1.699 64.052 62.300 0.090 0.000 1.024 213 V CB -0.422 31.507 31.823 0.177 0.000 0.648 213 V HN 0.221 nan 8.190 nan 0.000 0.447 214 R N 0.269 120.850 120.500 0.135 0.000 2.127 214 R HA -0.095 4.245 4.340 -0.001 0.000 0.238 214 R C 2.336 178.794 176.300 0.265 0.000 1.134 214 R CA 1.552 57.779 56.100 0.212 0.000 0.975 214 R CB -1.099 29.355 30.300 0.255 0.000 0.865 214 R HN 0.560 nan 8.270 nan 0.000 0.447 215 A N 0.752 123.625 122.820 0.088 0.000 1.873 215 A HA -0.160 4.159 4.320 -0.001 0.000 0.215 215 A C 2.338 179.848 177.584 -0.123 0.000 1.186 215 A CA 2.163 54.032 52.037 -0.279 0.000 0.616 215 A CB -0.884 17.757 19.000 -0.598 0.000 0.823 215 A HN 0.501 nan 8.150 nan 0.000 0.442 216 T N -1.651 112.850 114.554 -0.089 0.000 2.788 216 T HA -0.164 4.186 4.350 -0.001 0.000 0.268 216 T C 1.557 176.378 174.700 0.201 0.000 1.044 216 T CA 1.633 63.719 62.100 -0.023 0.000 1.139 216 T CB -0.492 68.273 68.868 -0.173 0.000 0.867 216 T HN 0.607 nan 8.240 nan 0.000 0.454 217 E N 1.094 121.389 120.200 0.158 0.000 2.153 217 E HA 0.024 4.373 4.350 -0.001 0.000 0.194 217 E C 2.436 179.128 176.600 0.154 0.000 0.988 217 E CA 0.817 57.321 56.400 0.173 0.000 0.811 217 E CB -0.511 29.276 29.700 0.145 0.000 0.746 217 E HN 0.723 nan 8.360 nan 0.000 0.466 218 G N 0.271 109.161 108.800 0.149 0.000 2.511 218 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.217 218 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.217 218 G C 1.380 176.342 174.900 0.103 0.000 1.133 218 G CA 0.163 45.347 45.100 0.141 0.000 0.792 218 G HN 0.057 nan 8.290 nan 0.000 0.539 219 Q N -0.128 119.749 119.800 0.128 0.000 2.220 219 Q HA 0.222 4.561 4.340 -0.001 0.000 0.205 219 Q C 1.239 177.287 176.000 0.080 0.000 0.865 219 Q CA 0.358 56.239 55.803 0.130 0.000 0.960 219 Q CB 0.701 29.559 28.738 0.200 0.000 1.097 219 Q HN 0.466 nan 8.270 nan 0.000 0.493 220 G N 1.236 110.089 108.800 0.087 0.000 2.212 220 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.255 220 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.255 220 G C -0.402 174.442 174.900 -0.093 0.000 1.062 220 G CA -0.291 44.803 45.100 -0.011 0.000 0.815 220 G HN 0.242 nan 8.290 nan 0.000 0.497 221 F N 0.943 120.928 119.950 0.059 0.000 2.394 221 F HA 0.518 5.044 4.527 -0.001 0.000 0.340 221 F C 1.095 176.946 175.800 0.085 0.000 1.105 221 F CA -0.386 57.662 58.000 0.079 0.000 1.124 221 F CB 1.217 40.287 39.000 0.116 0.000 1.145 221 F HN 0.271 nan 8.300 nan 0.000 0.505 222 K N 1.810 122.364 120.400 0.256 0.000 2.090 222 K HA 0.715 5.034 4.320 -0.001 0.000 0.249 222 K C 0.671 177.410 176.600 0.232 0.000 0.995 222 K CA -0.324 56.080 56.287 0.195 0.000 0.914 222 K CB 1.246 33.828 32.500 0.138 0.000 1.057 222 K HN 0.608 nan 8.250 nan 0.000 0.462 223 A N 1.776 124.712 122.820 0.194 0.000 1.917 223 A HA -0.234 4.086 4.320 -0.001 0.000 0.219 223 A C 2.335 180.064 177.584 0.241 0.000 1.182 223 A CA 2.364 54.523 52.037 0.203 0.000 0.633 223 A CB -1.318 17.782 19.000 0.167 0.000 0.819 223 A HN 0.930 nan 8.150 nan 0.000 0.448 224 A N -0.848 122.110 122.820 0.231 0.000 2.076 224 A HA -0.159 4.161 4.320 -0.001 0.000 0.220 224 A C 1.496 179.341 177.584 0.435 0.000 1.160 224 A CA 1.771 53.969 52.037 0.269 0.000 0.653 224 A CB -0.337 18.790 19.000 0.211 0.000 0.801 224 A HN 0.496 nan 8.150 nan 0.000 0.455 225 D N -0.951 119.676 120.400 0.378 0.000 2.369 225 D HA 0.203 4.843 4.640 -0.001 0.000 0.211 225 D C -0.220 176.264 176.300 0.307 0.000 1.077 225 D CA 0.247 54.426 54.000 0.297 0.000 0.842 225 D CB 0.515 41.498 40.800 0.306 0.000 0.947 225 D HN 0.228 nan 8.370 nan 0.000 0.509 226 I N 1.467 122.315 120.570 0.463 0.000 2.533 226 I HA 0.390 4.559 4.170 -0.001 0.000 0.290 226 I C -0.276 176.070 176.117 0.382 0.000 1.056 226 I CA -0.682 60.856 61.300 0.398 0.000 1.057 226 I CB 2.240 40.378 38.000 0.230 0.000 1.240 226 I HN -0.249 nan 8.210 nan 0.000 0.423 227 I N 4.536 125.308 120.570 0.337 0.000 2.468 227 I HA 0.557 4.727 4.170 -0.001 0.000 0.284 227 I C 0.170 176.330 176.117 0.072 0.000 1.038 227 I CA -0.377 60.986 61.300 0.105 0.000 1.083 227 I CB 2.229 40.157 38.000 -0.119 0.000 1.223 227 I HN 0.674 nan 8.210 nan 0.000 0.443 228 G N 7.313 116.128 108.800 0.026 0.000 2.626 228 G HA2 0.750 4.709 3.960 -0.001 0.000 0.304 228 G HA3 0.750 4.709 3.960 -0.001 0.000 0.304 228 G C -0.881 173.835 174.900 -0.307 0.000 1.385 228 G CA -0.372 44.694 45.100 -0.056 0.000 0.957 228 G HN 0.480 nan 8.290 nan 0.000 0.504 229 I N 2.872 123.293 120.570 -0.249 0.000 2.382 229 I HA 0.368 4.538 4.170 -0.001 0.000 0.285 229 I C 1.046 177.022 176.117 -0.236 0.000 1.007 229 I CA -0.733 60.364 61.300 -0.339 0.000 1.142 229 I CB 1.764 39.678 38.000 -0.144 0.000 1.289 229 I HN 0.533 nan 8.210 nan 0.000 0.453 230 G N 6.700 115.326 108.800 -0.289 0.000 2.616 230 G HA2 0.660 4.620 3.960 -0.001 0.000 0.268 230 G HA3 0.660 4.620 3.960 -0.001 0.000 0.268 230 G C -0.457 174.449 174.900 0.011 0.000 1.213 230 G CA -0.428 44.705 45.100 0.055 0.000 0.926 230 G HN 0.517 nan 8.290 nan 0.000 0.523 231 I N 0.490 121.069 120.570 0.015 0.000 2.498 231 I HA 0.411 4.580 4.170 -0.001 0.000 0.290 231 I C 0.029 176.098 176.117 -0.080 0.000 1.032 231 I CA -0.537 60.736 61.300 -0.045 0.000 1.073 231 I CB 2.349 40.296 38.000 -0.089 0.000 1.251 231 I HN 0.625 nan 8.210 nan 0.000 0.426 232 N N 3.278 121.947 118.700 -0.051 0.000 2.459 232 N HA -0.092 4.647 4.740 -0.001 0.000 0.251 232 N C 0.784 176.404 175.510 0.183 0.000 1.659 232 N CA 1.349 54.406 53.050 0.012 0.000 3.297 232 N CB -0.867 37.585 38.487 -0.059 0.000 1.509 232 N HN 0.937 nan 8.380 nan 0.000 1.133 233 G N 0.155 109.031 108.800 0.128 0.000 3.757 233 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.215 233 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.215 233 G C 1.085 176.052 174.900 0.111 0.000 1.411 233 G CA 1.749 46.921 45.100 0.119 0.000 0.896 233 G HN 1.235 nan 8.290 nan 0.000 0.581 234 V N -0.804 119.184 119.914 0.124 0.000 2.594 234 V HA 0.059 4.178 4.120 -0.001 0.000 0.253 234 V C 1.998 178.134 176.094 0.071 0.000 1.069 234 V CA 2.859 65.212 62.300 0.088 0.000 1.082 234 V CB -0.515 31.342 31.823 0.056 0.000 0.680 234 V HN 0.346 nan 8.190 nan 0.000 0.469 235 D N 1.282 121.731 120.400 0.082 0.000 2.317 235 D HA 0.148 4.788 4.640 -0.001 0.000 0.211 235 D C 1.920 178.198 176.300 -0.038 0.000 0.966 235 D CA 1.470 55.492 54.000 0.036 0.000 0.876 235 D CB 0.138 40.965 40.800 0.044 0.000 0.927 235 D HN 0.639 nan 8.370 nan 0.000 0.519 236 A N -0.119 122.682 122.820 -0.032 0.000 2.348 236 A HA 0.140 4.459 4.320 -0.001 0.000 0.224 236 A C 2.102 179.577 177.584 -0.181 0.000 1.227 236 A CA -0.085 51.875 52.037 -0.129 0.000 0.885 236 A CB 0.145 19.198 19.000 0.089 0.000 0.933 236 A HN 0.052 nan 8.150 nan 0.000 0.506 237 V N 1.118 120.962 119.914 -0.117 0.000 2.407 237 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 237 V C 3.008 178.984 176.094 -0.196 0.000 1.055 237 V CA 2.508 64.720 62.300 -0.146 0.000 1.049 237 V CB -0.651 31.181 31.823 0.015 0.000 0.662 237 V HN 0.816 nan 8.190 nan 0.000 0.455 238 S N -0.049 115.568 115.700 -0.138 0.000 2.399 238 S HA -0.252 4.218 4.470 -0.001 0.000 0.231 238 S C 1.867 176.370 174.600 -0.161 0.000 1.022 238 S CA 1.684 59.815 58.200 -0.115 0.000 0.983 238 S CB -0.315 62.834 63.200 -0.086 0.000 0.803 238 S HN 0.613 nan 8.310 nan 0.000 0.480 239 E N 1.767 121.826 120.200 -0.235 0.000 2.028 239 E HA 0.098 4.448 4.350 -0.001 0.000 0.190 239 E C 1.878 178.352 176.600 -0.210 0.000 0.984 239 E CA 1.058 57.312 56.400 -0.244 0.000 0.800 239 E CB -0.595 28.844 29.700 -0.435 0.000 0.758 239 E HN 0.591 nan 8.360 nan 0.000 0.448 240 L N 0.300 121.323 121.223 -0.334 0.000 2.456 240 L HA -0.043 4.296 4.340 -0.001 0.000 0.224 240 L C 1.852 178.418 176.870 -0.507 0.000 1.148 240 L CA 0.763 55.305 54.840 -0.496 0.000 0.825 240 L CB -0.117 41.416 42.059 -0.876 0.000 0.937 240 L HN 0.082 nan 8.230 nan 0.000 0.450 241 S N -1.320 114.183 115.700 -0.329 0.000 2.524 241 S HA 0.061 4.531 4.470 -0.001 0.000 0.216 241 S C 0.781 175.390 174.600 0.015 0.000 0.987 241 S CA -0.048 58.118 58.200 -0.056 0.000 0.909 241 S CB 0.188 63.391 63.200 0.005 0.000 0.781 241 S HN 0.284 nan 8.310 nan 0.000 0.521 242 K N 1.099 121.482 120.400 -0.027 0.000 2.397 242 K HA 0.230 4.549 4.320 -0.001 0.000 0.265 242 K C 1.344 177.965 176.600 0.035 0.000 0.982 242 K CA 0.174 56.463 56.287 0.004 0.000 0.931 242 K CB 0.265 32.763 32.500 -0.005 0.000 0.943 242 K HN 0.150 nan 8.250 nan 0.000 0.501 243 A N 2.879 125.722 122.820 0.038 0.000 1.877 243 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 243 A C 0.532 178.147 177.584 0.052 0.000 1.186 243 A CA 1.335 53.400 52.037 0.047 0.000 0.620 243 A CB -0.138 18.886 19.000 0.039 0.000 0.822 243 A HN 0.731 nan 8.150 nan 0.000 0.443 244 Q N -0.540 119.289 119.800 0.049 0.000 2.230 244 Q HA 0.573 4.912 4.340 -0.001 0.000 0.253 244 Q C -0.317 175.723 176.000 0.067 0.000 0.919 244 Q CA -0.468 55.370 55.803 0.058 0.000 0.908 244 Q CB 1.552 30.324 28.738 0.056 0.000 1.245 244 Q HN 0.477 nan 8.270 nan 0.000 0.437 245 A N 1.899 124.768 122.820 0.082 0.000 2.445 245 A HA 0.396 4.715 4.320 -0.001 0.000 0.242 245 A C 0.346 178.000 177.584 0.117 0.000 1.075 245 A CA 0.102 52.200 52.037 0.103 0.000 0.777 245 A CB 0.241 19.311 19.000 0.117 0.000 1.013 245 A HN 0.783 nan 8.150 nan 0.000 0.493 246 T N -1.411 113.228 114.554 0.141 0.000 2.724 246 T HA 0.594 4.944 4.350 -0.001 0.000 0.274 246 T C 1.239 176.061 174.700 0.203 0.000 0.984 246 T CA 0.079 62.274 62.100 0.159 0.000 1.024 246 T CB 1.052 70.006 68.868 0.143 0.000 1.320 246 T HN 1.001 nan 8.240 nan 0.000 0.555 247 G N -0.410 108.517 108.800 0.211 0.000 2.471 247 G HA2 0.023 3.983 3.960 -0.001 0.000 0.219 247 G HA3 0.023 3.983 3.960 -0.001 0.000 0.219 247 G C 0.228 175.275 174.900 0.246 0.000 1.125 247 G CA -0.067 45.167 45.100 0.224 0.000 0.775 247 G HN 0.648 nan 8.290 nan 0.000 0.548 248 F N 1.437 121.447 119.950 0.101 0.000 2.439 248 F HA 0.409 4.936 4.527 -0.001 0.000 0.356 248 F C 1.153 177.005 175.800 0.086 0.000 1.161 248 F CA -1.385 56.661 58.000 0.077 0.000 1.151 248 F CB 0.636 39.651 39.000 0.025 0.000 1.222 248 F HN 0.119 nan 8.300 nan 0.000 0.558 249 Y N 5.113 125.277 120.300 -0.226 0.000 2.314 249 Y HA 0.433 4.983 4.550 -0.001 0.000 0.294 249 Y C 0.854 176.650 175.900 -0.173 0.000 1.119 249 Y CA 0.815 58.831 58.100 -0.140 0.000 1.179 249 Y CB -0.009 38.367 38.460 -0.139 0.000 1.025 249 Y HN 0.513 nan 8.280 nan 0.000 0.541 250 G N -1.083 107.355 108.800 -0.603 0.000 2.430 250 G HA2 0.407 4.366 3.960 -0.001 0.000 0.300 250 G HA3 0.407 4.366 3.960 -0.001 0.000 0.300 250 G C -1.770 172.835 174.900 -0.491 0.000 1.330 250 G CA -0.271 44.530 45.100 -0.497 0.000 0.813 250 G HN 0.199 nan 8.290 nan 0.000 0.487 251 S N -1.376 114.211 115.700 -0.188 0.000 2.556 251 S HA 0.658 5.127 4.470 -0.001 0.000 0.271 251 S C -1.060 173.525 174.600 -0.025 0.000 1.135 251 S CA -0.658 57.505 58.200 -0.061 0.000 0.858 251 S CB 1.324 64.610 63.200 0.144 0.000 1.114 251 S HN 0.664 nan 8.310 nan 0.000 0.468 252 L N 3.954 125.170 121.223 -0.013 0.000 2.268 252 L HA 0.427 4.766 4.340 -0.001 0.000 0.289 252 L C -0.296 176.594 176.870 0.033 0.000 1.064 252 L CA -0.732 54.109 54.840 0.002 0.000 0.824 252 L CB 0.806 42.858 42.059 -0.011 0.000 1.202 252 L HN 0.553 nan 8.230 nan 0.000 0.433 253 L N 3.981 125.232 121.223 0.047 0.000 2.361 253 L HA 0.424 4.763 4.340 -0.001 0.000 0.278 253 L C 0.703 177.620 176.870 0.080 0.000 1.113 253 L CA 0.466 55.350 54.840 0.073 0.000 0.849 253 L CB 0.775 42.868 42.059 0.056 0.000 1.155 253 L HN 0.518 nan 8.230 nan 0.000 0.452 254 G N 2.738 111.632 108.800 0.156 0.000 2.630 254 G HA2 0.424 4.383 3.960 -0.001 0.000 0.223 254 G HA3 0.424 4.383 3.960 -0.001 0.000 0.223 254 G C -0.724 174.211 174.900 0.057 0.000 1.434 254 G CA -0.403 44.806 45.100 0.182 0.000 1.057 254 G HN 0.565 nan 8.290 nan 0.000 0.570 255 S N 1.480 117.168 115.700 -0.020 0.000 2.204 255 S HA 0.335 4.805 4.470 -0.001 0.000 0.147 255 S C -1.913 172.387 174.600 -0.500 0.000 1.711 255 S CA -0.694 57.382 58.200 -0.207 0.000 1.274 255 S CB 2.039 65.203 63.200 -0.061 0.000 1.257 255 S HN 0.424 nan 8.310 nan 0.000 0.404 256 P HA -0.085 nan 4.420 nan 0.000 0.223 256 P C 0.965 177.856 177.300 -0.682 0.000 1.151 256 P CA 0.932 63.228 63.100 -1.339 0.000 0.787 256 P CB 0.080 30.666 31.700 -1.857 0.000 0.788 257 D N 0.489 120.463 120.400 -0.710 0.000 2.097 257 D HA -0.123 4.517 4.640 -0.001 0.000 0.195 257 D C 1.945 177.994 176.300 -0.418 0.000 0.989 257 D CA 0.961 54.336 54.000 -1.041 0.000 0.827 257 D CB -1.421 38.319 40.800 -1.766 0.000 0.966 257 D HN 0.031 nan 8.370 nan 0.000 0.456 258 V N 1.318 121.091 119.914 -0.235 0.000 2.295 258 V HA -0.271 3.849 4.120 -0.001 0.000 0.246 258 V C 2.597 178.795 176.094 0.172 0.000 1.049 258 V CA 2.004 64.311 62.300 0.012 0.000 1.024 258 V CB -0.883 30.964 31.823 0.040 0.000 0.648 258 V HN 0.369 nan 8.190 nan 0.000 0.447 259 H N -0.223 118.829 119.070 -0.031 0.000 2.352 259 H HA -0.152 4.403 4.556 -0.001 0.000 0.299 259 H C 2.342 177.797 175.328 0.212 0.000 1.097 259 H CA 1.307 57.402 56.048 0.079 0.000 1.311 259 H CB -0.257 29.545 29.762 0.068 0.000 1.377 259 H HN 0.527 nan 8.280 nan 0.000 0.504 260 G N -0.161 108.820 108.800 0.301 0.000 2.404 260 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.214 260 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.214 260 G C 1.544 176.684 174.900 0.399 0.000 1.189 260 G CA 0.569 45.873 45.100 0.340 0.000 0.789 260 G HN 0.369 nan 8.290 nan 0.000 0.533 261 Y N 1.224 121.678 120.300 0.257 0.000 2.153 261 Y HA 0.034 4.584 4.550 -0.001 0.000 0.289 261 Y C 2.827 178.866 175.900 0.232 0.000 1.127 261 Y CA 2.043 60.297 58.100 0.257 0.000 1.131 261 Y CB -0.183 38.422 38.460 0.241 0.000 0.995 261 Y HN 0.174 nan 8.280 nan 0.000 0.505 262 K N -0.020 120.639 120.400 0.431 0.000 2.057 262 K HA -0.151 4.169 4.320 -0.001 0.000 0.206 262 K C 2.348 179.071 176.600 0.205 0.000 1.050 262 K CA 1.694 58.161 56.287 0.300 0.000 0.935 262 K CB -0.337 32.267 32.500 0.174 0.000 0.715 262 K HN 0.438 nan 8.250 nan 0.000 0.439 263 S N -0.586 115.242 115.700 0.213 0.000 2.382 263 S HA -0.100 4.369 4.470 -0.001 0.000 0.228 263 S C 2.086 176.796 174.600 0.183 0.000 1.027 263 S CA 1.528 59.827 58.200 0.164 0.000 0.991 263 S CB -0.312 62.986 63.200 0.164 0.000 0.823 263 S HN 0.205 nan 8.310 nan 0.000 0.469 264 S N 1.585 117.453 115.700 0.280 0.000 2.371 264 S HA -0.047 4.423 4.470 -0.001 0.000 0.224 264 S C 1.944 176.647 174.600 0.173 0.000 1.029 264 S CA 1.109 59.476 58.200 0.277 0.000 0.978 264 S CB -0.446 63.016 63.200 0.436 0.000 0.833 264 S HN 0.749 nan 8.310 nan 0.000 0.466 265 E N 0.934 121.232 120.200 0.164 0.000 2.077 265 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 265 E C 1.949 178.668 176.600 0.199 0.000 0.989 265 E CA 1.046 57.559 56.400 0.188 0.000 0.800 265 E CB -0.127 29.695 29.700 0.202 0.000 0.746 265 E HN 0.472 nan 8.360 nan 0.000 0.452 266 M N 0.092 119.780 119.600 0.147 0.000 2.200 266 M HA -0.096 4.383 4.480 -0.001 0.000 0.265 266 M C 2.424 178.802 176.300 0.131 0.000 1.066 266 M CA 0.573 55.935 55.300 0.103 0.000 1.127 266 M CB -0.141 32.486 32.600 0.045 0.000 1.379 266 M HN 0.211 nan 8.290 nan 0.000 0.420 267 L N -0.096 121.202 121.223 0.126 0.000 1.994 267 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 267 L C 2.395 179.287 176.870 0.037 0.000 1.071 267 L CA 1.920 56.834 54.840 0.123 0.000 0.745 267 L CB -1.052 41.020 42.059 0.023 0.000 0.892 267 L HN 0.262 nan 8.230 nan 0.000 0.431 268 Y N 0.502 120.701 120.300 -0.169 0.000 2.081 268 Y HA -0.357 4.193 4.550 -0.001 0.000 0.280 268 Y C 2.446 178.327 175.900 -0.030 0.000 1.163 268 Y CA 2.290 60.250 58.100 -0.234 0.000 1.135 268 Y CB -0.381 37.891 38.460 -0.314 0.000 0.970 268 Y HN 0.358 nan 8.280 nan 0.000 0.498 269 N N -0.223 118.421 118.700 -0.092 0.000 2.104 269 N HA -0.240 4.499 4.740 -0.001 0.000 0.190 269 N C 1.476 176.970 175.510 -0.027 0.000 1.024 269 N CA 1.584 54.578 53.050 -0.093 0.000 0.853 269 N CB -1.087 37.440 38.487 0.066 0.000 1.008 269 N HN 0.611 nan 8.380 nan 0.000 0.424 270 W N 1.799 123.002 121.300 -0.162 0.000 2.355 270 W HA -0.046 4.613 4.660 -0.001 0.000 0.309 270 W C 2.067 178.488 176.519 -0.163 0.000 1.206 270 W CA 0.653 57.917 57.345 -0.135 0.000 1.284 270 W CB -0.753 28.641 29.460 -0.109 0.000 1.145 270 W HN -0.193 nan 8.180 nan 0.000 0.502 271 V N 1.000 120.862 119.914 -0.086 0.000 2.283 271 V HA -0.223 3.897 4.120 -0.001 0.000 0.243 271 V C 2.505 178.464 176.094 -0.226 0.000 1.039 271 V CA 2.476 64.636 62.300 -0.233 0.000 1.016 271 V CB -1.527 30.156 31.823 -0.233 0.000 0.650 271 V HN 0.187 nan 8.190 nan 0.000 0.449 272 A N -0.442 122.158 122.820 -0.366 0.000 1.897 272 A HA -0.118 4.202 4.320 -0.001 0.000 0.215 272 A C 2.063 179.522 177.584 -0.208 0.000 1.181 272 A CA 1.650 53.456 52.037 -0.386 0.000 0.620 272 A CB -0.151 18.322 19.000 -0.879 0.000 0.821 272 A HN 0.571 nan 8.150 nan 0.000 0.443 273 K N -1.347 118.952 120.400 -0.168 0.000 2.438 273 K HA 0.142 4.462 4.320 -0.001 0.000 0.206 273 K C -0.308 176.291 176.600 -0.002 0.000 1.081 273 K CA 0.436 56.680 56.287 -0.070 0.000 1.053 273 K CB 0.725 33.189 32.500 -0.060 0.000 0.908 273 K HN 0.310 nan 8.250 nan 0.000 0.556 274 D N 1.593 122.015 120.400 0.037 0.000 2.704 274 D HA -0.161 4.478 4.640 -0.001 0.000 0.232 274 D C -1.193 175.192 176.300 0.142 0.000 1.183 274 D CA 0.343 54.437 54.000 0.156 0.000 0.647 274 D CB -0.775 40.081 40.800 0.093 0.000 1.013 274 D HN -0.083 nan 8.370 nan 0.000 0.415 275 V N 2.077 122.058 119.914 0.112 0.000 2.318 275 V HA 0.187 4.306 4.120 -0.001 0.000 0.271 275 V C 0.623 176.636 176.094 -0.134 0.000 1.030 275 V CA -0.737 61.566 62.300 0.005 0.000 0.844 275 V CB 1.474 33.296 31.823 -0.002 0.000 1.015 275 V HN 0.173 nan 8.190 nan 0.000 0.460 276 E N 6.425 126.479 120.200 -0.243 0.000 2.406 276 E HA 0.163 4.512 4.350 -0.001 0.000 0.258 276 E C -2.124 174.196 176.600 -0.467 0.000 1.043 276 E CA -1.362 54.702 56.400 -0.559 0.000 0.929 276 E CB 0.769 30.259 29.700 -0.350 0.000 0.969 276 E HN 0.475 nan 8.360 nan 0.000 0.462 277 P HA 0.116 nan 4.420 nan 0.000 0.269 277 P C -2.377 174.731 177.300 -0.320 0.000 1.215 277 P CA -1.060 61.806 63.100 -0.390 0.000 0.780 277 P CB -0.341 31.116 31.700 -0.405 0.000 0.898 278 P HA 0.032 nan 4.420 nan 0.000 0.268 278 P C 0.525 177.752 177.300 -0.121 0.000 1.205 278 P CA -0.051 62.972 63.100 -0.128 0.000 0.771 278 P CB 0.775 32.428 31.700 -0.079 0.000 0.858 279 K N 1.235 121.593 120.400 -0.070 0.000 2.147 279 K HA -0.012 4.308 4.320 -0.001 0.000 0.205 279 K C 0.514 177.165 176.600 0.085 0.000 1.049 279 K CA 1.144 57.412 56.287 -0.032 0.000 0.936 279 K CB -0.282 32.209 32.500 -0.015 0.000 0.722 279 K HN 0.566 nan 8.250 nan 0.000 0.446 280 F N 0.374 120.267 119.950 -0.096 0.000 2.562 280 F HA 0.202 4.729 4.527 -0.001 0.000 0.319 280 F C -1.063 174.697 175.800 -0.068 0.000 1.154 280 F CA -0.560 57.395 58.000 -0.076 0.000 0.931 280 F CB 1.920 40.886 39.000 -0.057 0.000 1.198 280 F HN -0.329 nan 8.300 nan 0.000 0.444 281 T N 4.801 119.034 114.554 -0.536 0.000 2.809 281 T HA 0.243 4.593 4.350 -0.001 0.000 0.284 281 T C -1.091 173.144 174.700 -0.776 0.000 0.992 281 T CA -0.552 61.244 62.100 -0.506 0.000 0.957 281 T CB 1.458 70.162 68.868 -0.273 0.000 0.942 281 T HN 0.611 nan 8.240 nan 0.000 0.439 282 E N 2.758 122.571 120.200 -0.644 0.000 2.145 282 E HA 0.515 4.865 4.350 -0.001 0.000 0.270 282 E C -1.065 175.416 176.600 -0.199 0.000 0.906 282 E CA -0.662 55.458 56.400 -0.466 0.000 0.761 282 E CB 1.001 30.512 29.700 -0.315 0.000 1.116 282 E HN 0.326 nan 8.360 nan 0.000 0.408 283 V N 4.283 124.124 119.914 -0.121 0.000 2.370 283 V HA 0.162 4.282 4.120 -0.001 0.000 0.279 283 V C 1.021 177.143 176.094 0.047 0.000 1.029 283 V CA -0.201 62.096 62.300 -0.005 0.000 0.870 283 V CB 1.177 33.052 31.823 0.086 0.000 0.984 283 V HN 0.933 nan 8.190 nan 0.000 0.451 284 T N -0.712 113.859 114.554 0.029 0.000 3.023 284 T HA 0.104 4.453 4.350 -0.001 0.000 0.253 284 T C 0.315 175.035 174.700 0.033 0.000 1.038 284 T CA -0.428 61.690 62.100 0.029 0.000 0.962 284 T CB -0.114 68.762 68.868 0.014 0.000 1.018 284 T HN 0.571 nan 8.240 nan 0.000 0.521 285 D N 3.064 123.486 120.400 0.037 0.000 2.525 285 D HA 0.335 4.974 4.640 -0.001 0.000 0.235 285 D C 0.248 176.570 176.300 0.037 0.000 1.137 285 D CA 0.332 54.349 54.000 0.028 0.000 0.868 285 D CB 1.108 41.920 40.800 0.020 0.000 1.180 285 D HN 0.466 nan 8.370 nan 0.000 0.465 286 V N -1.047 118.881 119.914 0.024 0.000 3.023 286 V HA 0.654 4.773 4.120 -0.001 0.000 0.294 286 V C -0.854 175.249 176.094 0.015 0.000 1.324 286 V CA -1.060 61.255 62.300 0.024 0.000 0.979 286 V CB 1.905 33.740 31.823 0.021 0.000 1.093 286 V HN 0.351 nan 8.190 nan 0.000 0.434 287 V N 4.264 124.187 119.914 0.016 0.000 2.808 287 V HA 0.703 4.823 4.120 -0.001 0.000 0.308 287 V C -0.978 175.122 176.094 0.011 0.000 1.099 287 V CA -0.763 61.544 62.300 0.012 0.000 0.920 287 V CB 1.956 33.785 31.823 0.011 0.000 1.014 287 V HN 1.239 nan 8.190 nan 0.000 0.425 288 L N 8.047 129.273 121.223 0.004 0.000 2.369 288 L HA 0.544 4.884 4.340 -0.001 0.000 0.279 288 L C -0.144 176.720 176.870 -0.010 0.000 1.108 288 L CA 0.491 55.326 54.840 -0.009 0.000 0.852 288 L CB 0.580 42.635 42.059 -0.007 0.000 1.169 288 L HN 0.653 nan 8.230 nan 0.000 0.452 289 I N 2.716 123.280 120.570 -0.010 0.000 2.404 289 I HA 0.780 4.949 4.170 -0.001 0.000 0.293 289 I C 0.021 176.110 176.117 -0.048 0.000 0.992 289 I CA -0.175 61.137 61.300 0.021 0.000 1.149 289 I CB 1.836 39.893 38.000 0.095 0.000 1.315 289 I HN 0.697 nan 8.210 nan 0.000 0.446 290 T N 1.740 116.273 114.554 -0.035 0.000 2.724 290 T HA 0.477 4.826 4.350 -0.001 0.000 0.274 290 T C 0.908 175.647 174.700 0.065 0.000 0.984 290 T CA -0.854 61.154 62.100 -0.152 0.000 1.024 290 T CB 1.460 70.137 68.868 -0.318 0.000 1.320 290 T HN 0.683 nan 8.240 nan 0.000 0.555 291 R N 0.010 120.519 120.500 0.015 0.000 2.193 291 R HA -0.030 4.310 4.340 -0.001 0.000 0.229 291 R C 1.074 177.545 176.300 0.285 0.000 1.110 291 R CA 1.721 57.928 56.100 0.178 0.000 0.988 291 R CB -0.316 30.039 30.300 0.092 0.000 0.871 291 R HN 0.647 nan 8.270 nan 0.000 0.458 292 D N -0.809 119.677 120.400 0.144 0.000 2.366 292 D HA -0.052 4.587 4.640 -0.001 0.000 0.205 292 D C 1.020 177.339 176.300 0.032 0.000 1.022 292 D CA 0.543 54.588 54.000 0.075 0.000 0.868 292 D CB 0.321 41.148 40.800 0.045 0.000 0.953 292 D HN 0.248 nan 8.370 nan 0.000 0.514 293 N N -0.442 118.293 118.700 0.058 0.000 2.075 293 N HA -0.071 4.669 4.740 -0.001 0.000 0.226 293 N C 1.322 176.826 175.510 -0.010 0.000 1.343 293 N CA -0.158 52.890 53.050 -0.002 0.000 0.881 293 N CB -0.772 37.719 38.487 0.008 0.000 1.100 293 N HN 0.215 nan 8.380 nan 0.000 0.495 294 F N 1.700 121.638 119.950 -0.021 0.000 2.115 294 F HA 0.058 4.585 4.527 -0.001 0.000 0.300 294 F C 1.981 177.778 175.800 -0.004 0.000 1.092 294 F CA 1.149 59.143 58.000 -0.010 0.000 1.245 294 F CB -0.459 38.540 39.000 -0.002 0.000 0.995 294 F HN -0.090 nan 8.300 nan 0.000 0.481 295 K N 0.487 120.443 120.400 -0.739 0.000 2.025 295 K HA -0.147 4.173 4.320 -0.001 0.000 0.207 295 K C 2.060 178.519 176.600 -0.234 0.000 1.049 295 K CA 1.871 57.809 56.287 -0.583 0.000 0.933 295 K CB -0.237 31.868 32.500 -0.658 0.000 0.714 295 K HN 0.458 nan 8.250 nan 0.000 0.438 296 E N 0.355 120.446 120.200 -0.182 0.000 2.038 296 E HA -0.213 4.136 4.350 -0.001 0.000 0.195 296 E C 1.986 178.553 176.600 -0.055 0.000 1.000 296 E CA 1.169 57.512 56.400 -0.095 0.000 0.803 296 E CB -0.011 29.647 29.700 -0.070 0.000 0.750 296 E HN 0.197 nan 8.360 nan 0.000 0.448 297 E N 0.740 120.919 120.200 -0.034 0.000 2.110 297 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 297 E C 2.250 178.853 176.600 0.005 0.000 0.988 297 E CA 0.665 57.063 56.400 -0.003 0.000 0.804 297 E CB -0.224 29.489 29.700 0.023 0.000 0.745 297 E HN 0.295 nan 8.360 nan 0.000 0.458 298 L N 0.437 121.670 121.223 0.015 0.000 2.017 298 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 298 L C 2.339 179.213 176.870 0.008 0.000 1.073 298 L CA 1.277 56.133 54.840 0.027 0.000 0.745 298 L CB -0.231 41.865 42.059 0.061 0.000 0.894 298 L HN 0.053 nan 8.230 nan 0.000 0.432 299 E N -0.154 120.040 120.200 -0.011 0.000 2.150 299 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 299 E C 2.124 178.718 176.600 -0.010 0.000 0.985 299 E CA 0.842 57.234 56.400 -0.012 0.000 0.814 299 E CB 0.062 29.744 29.700 -0.031 0.000 0.752 299 E HN 0.195 nan 8.360 nan 0.000 0.466 300 K N 0.307 120.698 120.400 -0.015 0.000 2.097 300 K HA -0.093 4.226 4.320 -0.001 0.000 0.206 300 K C 1.760 178.351 176.600 -0.014 0.000 1.049 300 K CA 0.962 57.240 56.287 -0.015 0.000 0.933 300 K CB 0.148 32.638 32.500 -0.017 0.000 0.717 300 K HN -0.118 nan 8.250 nan 0.000 0.442 301 K N -0.854 119.538 120.400 -0.014 0.000 2.404 301 K HA -0.001 4.318 4.320 -0.001 0.000 0.194 301 K C 0.451 177.039 176.600 -0.019 0.000 1.023 301 K CA 0.760 57.030 56.287 -0.029 0.000 1.094 301 K CB 0.733 33.208 32.500 -0.042 0.000 0.841 301 K HN 0.413 nan 8.250 nan 0.000 0.523 302 G N 1.397 110.205 108.800 0.013 0.000 2.157 302 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.248 302 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.248 302 G C 0.310 175.271 174.900 0.102 0.000 0.979 302 G CA 0.119 45.254 45.100 0.057 0.000 0.650 302 G HN 0.291 nan 8.290 nan 0.000 0.529 303 L N 1.809 123.067 121.223 0.060 0.000 2.968 303 L HA 0.410 4.750 4.340 -0.001 0.000 0.235 303 L C 1.766 178.673 176.870 0.061 0.000 1.323 303 L CA -0.232 54.652 54.840 0.074 0.000 1.159 303 L CB -0.413 41.657 42.059 0.018 0.000 1.523 303 L HN 0.304 nan 8.230 nan 0.000 0.468 304 G N 0.265 109.097 108.800 0.053 0.000 2.460 304 G HA2 0.297 4.257 3.960 -0.001 0.000 0.230 304 G HA3 0.297 4.257 3.960 -0.001 0.000 0.230 304 G C 0.534 175.457 174.900 0.038 0.000 1.248 304 G CA 0.547 45.666 45.100 0.032 0.000 0.863 304 G HN 0.572 nan 8.290 nan 0.000 0.549 305 G N -0.963 107.856 108.800 0.030 0.000 3.233 305 G HA2 0.648 4.607 3.960 -0.001 0.000 0.686 305 G HA3 0.648 4.607 3.960 -0.001 0.000 0.686 305 G C -0.498 174.450 174.900 0.081 0.000 1.153 305 G CA 0.364 45.490 45.100 0.044 0.000 0.853 305 G HN 2.225 nan 8.290 nan 0.000 0.582 306 K N 0.000 120.459 120.400 0.099 0.000 2.780 306 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 306 K CA 0.000 56.433 56.287 0.243 0.000 0.838 306 K CB 0.000 nan 32.500 nan 0.000 1.064 306 K HN 0.000 nan 8.250 nan 0.000 0.543