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 3nnp_1_A DATA FIRST_RESID 14 DATA SEQUENCE ALSLATLAIH GGQSPDPSTG AVMPPIYATS TYAQXXXXXX XXXXXSRTHN DATA SEQUENCE PTRFAYERCV AALEGGTRAF AFASGMAATS TVMELLDAGS HVVAMDDLYG DATA SEQUENCE GTFRLFERVR RRTAGLDFSF VDLTDPAAFK AAIRADTKMV WIETPTNPML DATA SEQUENCE KLVDIAAIAV IARKHGLLTV VDNTFASPML QRPLSLGADL VVHSATKYLN DATA SEQUENCE GHSDMVGGIA VVGDNAELAE QMAFLQNSIG GVQGPFDSFL ALRGLKTLPL DATA SEQUENCE RMRAHCENAL ALAQWLETHP AIEKVIYPGL ASHPQHVLAK RQMSGFGGIV DATA SEQUENCE SIVLKGGFDA AKRFCEKTEL FTLAESLGGV ESLVNHPAVM TXXXXXXXXX DATA SEQUENCE EQLGISDALV RLSVGIEDLG DLRGDLERAL V 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.580 177.584 -0.007 0.000 1.274 14 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 14 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 15 L N 1.766 122.986 121.223 -0.004 0.000 2.397 15 L HA 0.442 4.772 4.340 -0.017 0.000 0.271 15 L C 1.182 178.055 176.870 0.006 0.000 1.148 15 L CA 0.002 54.842 54.840 0.001 0.000 0.825 15 L CB 1.241 43.304 42.059 0.007 0.000 1.117 15 L HN 0.788 nan 8.230 nan 0.000 0.456 16 S N 1.506 117.211 115.700 0.008 0.000 2.584 16 S HA 0.063 4.523 4.470 -0.017 0.000 0.270 16 S C 1.141 175.750 174.600 0.016 0.000 1.346 16 S CA -0.605 57.600 58.200 0.009 0.000 1.018 16 S CB 0.687 63.892 63.200 0.008 0.000 0.899 16 S HN 0.495 nan 8.310 nan 0.000 0.542 17 L N 3.594 124.822 121.223 0.009 0.000 2.079 17 L HA 0.014 4.344 4.340 -0.017 0.000 0.210 17 L C 2.779 179.658 176.870 0.016 0.000 1.081 17 L CA 2.351 57.196 54.840 0.010 0.000 0.752 17 L CB -1.793 40.266 42.059 0.001 0.000 0.896 17 L HN 0.919 nan 8.230 nan 0.000 0.433 18 A N -1.963 120.867 122.820 0.017 0.000 2.019 18 A HA -0.166 4.144 4.320 -0.017 0.000 0.219 18 A C 2.266 179.875 177.584 0.041 0.000 1.164 18 A CA 2.105 54.154 52.037 0.021 0.000 0.644 18 A CB -0.718 18.292 19.000 0.017 0.000 0.805 18 A HN 0.461 nan 8.150 nan 0.000 0.449 19 T N -0.389 114.203 114.554 0.062 0.000 2.937 19 T HA 0.029 4.368 4.350 -0.017 0.000 0.260 19 T C 1.630 176.419 174.700 0.148 0.000 1.051 19 T CA 0.845 63.027 62.100 0.137 0.000 1.141 19 T CB -0.170 68.763 68.868 0.110 0.000 0.879 19 T HN 0.188 nan 8.240 nan 0.000 0.459 20 L N 1.623 122.893 121.223 0.078 0.000 2.141 20 L HA 0.218 4.548 4.340 -0.017 0.000 0.209 20 L C 2.678 179.565 176.870 0.028 0.000 1.094 20 L CA 0.988 55.863 54.840 0.059 0.000 0.763 20 L CB -1.270 40.807 42.059 0.031 0.000 0.908 20 L HN 0.254 nan 8.230 nan 0.000 0.437 21 A N -1.213 121.614 122.820 0.011 0.000 2.070 21 A HA -0.120 4.189 4.320 -0.017 0.000 0.220 21 A C 2.245 179.796 177.584 -0.055 0.000 1.159 21 A CA 1.612 53.642 52.037 -0.012 0.000 0.656 21 A CB -0.399 18.597 19.000 -0.006 0.000 0.800 21 A HN 0.436 nan 8.150 nan 0.000 0.453 22 I N -2.886 117.623 120.570 -0.102 0.000 3.445 22 I HA 0.054 4.214 4.170 -0.017 0.000 0.288 22 I C 1.663 177.542 176.117 -0.397 0.000 1.198 22 I CA 0.351 61.484 61.300 -0.278 0.000 1.417 22 I CB 0.007 37.788 38.000 -0.365 0.000 1.205 22 I HN 0.317 nan 8.210 nan 0.000 0.448 23 H N 0.221 119.291 119.070 -0.000 0.000 2.705 23 H HA 0.283 4.829 4.556 -0.017 0.000 0.269 23 H C 1.021 176.350 175.328 0.001 0.000 0.998 23 H CA 0.127 56.176 56.048 0.002 0.000 1.193 23 H CB 0.362 30.124 29.762 0.001 0.000 1.485 23 H HN 0.139 nan 8.280 nan 0.000 0.521 24 G N 0.152 109.001 108.800 0.081 0.000 2.364 24 G HA2 0.338 4.287 3.960 -0.017 0.000 0.267 24 G HA3 0.338 4.287 3.960 -0.017 0.000 0.267 24 G C 1.017 175.934 174.900 0.028 0.000 1.233 24 G CA 0.259 45.389 45.100 0.050 0.000 0.885 24 G HN 0.391 nan 8.290 nan 0.000 0.490 25 G N 1.184 109.996 108.800 0.021 0.000 2.180 25 G HA2 -0.251 3.699 3.960 -0.017 0.000 0.263 25 G HA3 -0.251 3.699 3.960 -0.017 0.000 0.263 25 G C 0.427 175.346 174.900 0.030 0.000 0.989 25 G CA 0.668 45.775 45.100 0.012 0.000 0.692 25 G HN 0.757 nan 8.290 nan 0.000 0.526 26 Q N 0.036 119.865 119.800 0.048 0.000 2.266 26 Q HA 0.748 5.078 4.340 -0.017 0.000 0.261 26 Q C 0.215 176.256 176.000 0.069 0.000 0.985 26 Q CA 0.169 56.006 55.803 0.056 0.000 0.873 26 Q CB 2.061 30.824 28.738 0.042 0.000 1.306 26 Q HN 0.997 nan 8.270 nan 0.000 0.447 27 S N -0.193 115.547 115.700 0.066 0.000 2.567 27 S HA 0.664 5.124 4.470 -0.017 0.000 0.270 27 S C -2.899 171.740 174.600 0.066 0.000 1.152 27 S CA -1.283 56.956 58.200 0.066 0.000 0.835 27 S CB 0.912 64.143 63.200 0.051 0.000 1.115 27 S HN 0.278 nan 8.310 nan 0.000 0.459 28 P HA 0.201 nan 4.420 nan 0.000 0.265 28 P C -0.614 176.723 177.300 0.062 0.000 1.187 28 P CA 0.150 63.285 63.100 0.058 0.000 0.766 28 P CB 0.102 31.831 31.700 0.048 0.000 0.820 29 D N 3.891 124.332 120.400 0.070 0.000 2.581 29 D HA -0.058 4.571 4.640 -0.017 0.000 0.238 29 D C -1.368 174.970 176.300 0.062 0.000 1.145 29 D CA -1.021 53.027 54.000 0.080 0.000 0.866 29 D CB 0.349 41.199 40.800 0.084 0.000 1.151 29 D HN 0.156 nan 8.370 nan 0.000 0.500 30 P HA -0.161 nan 4.420 nan 0.000 0.215 30 P C 1.447 178.773 177.300 0.043 0.000 1.153 30 P CA 0.906 64.034 63.100 0.047 0.000 0.853 30 P CB 0.065 31.791 31.700 0.044 0.000 0.788 31 S N -1.334 114.398 115.700 0.053 0.000 2.370 31 S HA -0.142 4.317 4.470 -0.017 0.000 0.226 31 S C 1.657 176.277 174.600 0.032 0.000 1.033 31 S CA 2.308 60.534 58.200 0.044 0.000 1.011 31 S CB -0.850 62.384 63.200 0.057 0.000 0.852 31 S HN 0.398 nan 8.310 nan 0.000 0.457 32 T N -4.674 109.900 114.554 0.033 0.000 3.009 32 T HA 0.458 4.798 4.350 -0.017 0.000 0.267 32 T C 1.378 176.092 174.700 0.024 0.000 0.942 32 T CA 0.862 62.976 62.100 0.023 0.000 0.883 32 T CB 0.190 69.067 68.868 0.015 0.000 1.192 32 T HN 0.854 nan 8.240 nan 0.000 0.524 33 G N 2.098 110.917 108.800 0.031 0.000 2.168 33 G HA2 -0.082 3.868 3.960 -0.017 0.000 0.263 33 G HA3 -0.082 3.868 3.960 -0.017 0.000 0.263 33 G C 0.472 175.393 174.900 0.034 0.000 0.977 33 G CA 0.040 45.159 45.100 0.032 0.000 0.659 33 G HN 1.476 nan 8.290 nan 0.000 0.533 34 A N -0.083 122.757 122.820 0.034 0.000 2.583 34 A HA 0.453 4.763 4.320 -0.017 0.000 0.249 34 A C 1.876 179.489 177.584 0.049 0.000 1.035 34 A CA 1.198 53.257 52.037 0.036 0.000 0.777 34 A CB 0.268 19.288 19.000 0.034 0.000 0.942 34 A HN 1.773 nan 8.150 nan 0.000 0.516 35 V N 1.746 121.688 119.914 0.046 0.000 2.488 35 V HA 0.032 4.142 4.120 -0.017 0.000 0.246 35 V C 0.918 177.045 176.094 0.055 0.000 1.046 35 V CA 0.711 63.041 62.300 0.049 0.000 1.053 35 V CB -0.675 31.173 31.823 0.041 0.000 0.679 35 V HN 0.705 nan 8.190 nan 0.000 0.458 36 M N 2.520 122.162 119.600 0.069 0.000 2.277 36 M HA 0.501 4.970 4.480 -0.017 0.000 0.350 36 M C -2.606 173.781 176.300 0.145 0.000 1.180 36 M CA -2.812 52.551 55.300 0.105 0.000 1.103 36 M CB 0.402 33.092 32.600 0.149 0.000 1.577 36 M HN 0.173 nan 8.290 nan 0.000 0.459 37 P HA 0.321 nan 4.420 nan 0.000 0.276 37 P C -2.667 174.759 177.300 0.210 0.000 1.235 37 P CA -1.147 62.069 63.100 0.194 0.000 0.772 37 P CB -0.391 31.426 31.700 0.195 0.000 0.871 38 P HA 0.117 nan 4.420 nan 0.000 0.266 38 P C 0.012 177.232 177.300 -0.133 0.000 1.193 38 P CA 0.320 63.358 63.100 -0.103 0.000 0.770 38 P CB 0.267 31.805 31.700 -0.271 0.000 0.836 39 I N 2.935 123.298 120.570 -0.346 0.000 2.308 39 I HA 0.058 4.217 4.170 -0.017 0.000 0.293 39 I C 0.158 176.029 176.117 -0.410 0.000 1.078 39 I CA -0.269 60.801 61.300 -0.383 0.000 1.292 39 I CB -0.270 37.319 38.000 -0.686 0.000 1.423 39 I HN 0.319 nan 8.210 nan 0.000 0.493 40 Y N 5.676 125.847 120.300 -0.214 0.000 2.532 40 Y HA 0.216 4.756 4.550 -0.017 0.000 0.337 40 Y C 1.184 176.949 175.900 -0.225 0.000 1.274 40 Y CA -0.448 57.548 58.100 -0.173 0.000 1.817 40 Y CB -0.051 38.365 38.460 -0.073 0.000 1.769 40 Y HN 0.631 nan 8.280 nan 0.000 0.447 41 A N 2.470 125.132 122.820 -0.263 0.000 2.899 41 A HA 0.315 4.625 4.320 -0.017 0.000 0.287 41 A C 0.530 178.048 177.584 -0.109 0.000 1.715 41 A CA 0.323 52.234 52.037 -0.211 0.000 1.393 41 A CB -0.369 18.485 19.000 -0.244 0.000 1.070 41 A HN 0.446 nan 8.150 nan 0.000 0.587 42 T N 0.023 114.536 114.554 -0.068 0.000 3.032 42 T HA 0.428 4.768 4.350 -0.017 0.000 0.312 42 T C 0.858 175.509 174.700 -0.082 0.000 1.078 42 T CA 0.194 62.224 62.100 -0.116 0.000 1.028 42 T CB 1.345 70.115 68.868 -0.163 0.000 1.091 42 T HN 0.875 nan 8.240 nan 0.000 0.457 43 S N 2.897 118.536 115.700 -0.102 0.000 2.539 43 S HA 0.308 4.768 4.470 -0.017 0.000 0.226 43 S C 0.773 175.360 174.600 -0.021 0.000 1.054 43 S CA 0.520 58.706 58.200 -0.024 0.000 0.910 43 S CB 0.403 63.599 63.200 -0.006 0.000 0.818 43 S HN 0.817 nan 8.310 nan 0.000 0.490 44 T N 0.210 114.663 114.554 -0.169 0.000 2.903 44 T HA 0.673 5.013 4.350 -0.017 0.000 0.299 44 T C -2.385 172.123 174.700 -0.320 0.000 1.093 44 T CA -0.552 61.491 62.100 -0.096 0.000 1.002 44 T CB 1.408 70.266 68.868 -0.015 0.000 1.127 44 T HN 0.239 nan 8.240 nan 0.000 0.488 45 Y N 1.595 121.909 120.300 0.023 0.000 2.354 45 Y HA 0.652 5.192 4.550 -0.017 0.000 0.330 45 Y C 0.610 176.516 175.900 0.010 0.000 1.011 45 Y CA -0.945 57.164 58.100 0.015 0.000 1.099 45 Y CB 1.762 40.223 38.460 0.002 0.000 1.179 45 Y HN 0.979 nan 8.280 nan 0.000 0.442 46 A N 3.505 126.403 122.820 0.129 0.000 2.448 46 A HA 0.321 4.631 4.320 -0.017 0.000 0.239 46 A C 0.421 178.049 177.584 0.075 0.000 1.080 46 A CA 0.193 52.277 52.037 0.079 0.000 0.779 46 A CB 0.028 19.056 19.000 0.048 0.000 1.026 46 A HN 0.939 nan 8.150 nan 0.000 0.499 60 R N -0.402 120.112 120.500 0.023 0.000 2.991 60 R HA -0.247 4.083 4.340 -0.017 0.000 0.236 60 R C 0.811 177.083 176.300 -0.047 0.000 0.788 60 R CA 2.838 58.936 56.100 -0.004 0.000 1.764 60 R CB -2.596 27.713 30.300 0.016 0.000 1.289 60 R HN 0.472 nan 8.270 nan 0.000 0.583 61 T N -0.773 113.739 114.554 -0.071 0.000 2.781 61 T HA 0.056 4.396 4.350 -0.017 0.000 0.252 61 T C 0.248 174.723 174.700 -0.374 0.000 1.039 61 T CA 1.590 63.560 62.100 -0.216 0.000 1.147 61 T CB -0.128 68.618 68.868 -0.203 0.000 0.865 61 T HN 0.533 nan 8.240 nan 0.000 0.423 62 H N 1.068 120.087 119.070 -0.085 0.000 2.708 62 H HA 0.524 5.070 4.556 -0.017 0.000 0.320 62 H C -0.536 174.516 175.328 -0.460 0.000 0.991 62 H CA -0.584 55.275 56.048 -0.315 0.000 1.243 62 H CB 0.632 30.179 29.762 -0.358 0.000 1.446 62 H HN 0.077 nan 8.280 nan 0.000 0.502 63 N N 4.415 122.610 118.700 -0.842 0.000 2.558 63 N HA 0.120 4.850 4.740 -0.017 0.000 0.285 63 N C -2.434 172.580 175.510 -0.826 0.000 1.112 63 N CA -1.850 50.861 53.050 -0.564 0.000 0.857 63 N CB 2.207 40.501 38.487 -0.321 0.000 1.376 63 N HN 0.287 nan 8.380 nan 0.000 0.526 64 P HA -0.061 nan 4.420 nan 0.000 0.218 64 P C 1.064 178.320 177.300 -0.073 0.000 1.148 64 P CA 1.376 64.259 63.100 -0.361 0.000 0.822 64 P CB 0.416 31.728 31.700 -0.647 0.000 0.784 65 T N -0.865 113.697 114.554 0.013 0.000 2.737 65 T HA -0.135 4.205 4.350 -0.017 0.000 0.265 65 T C 1.895 176.676 174.700 0.134 0.000 1.038 65 T CA 1.045 63.231 62.100 0.143 0.000 1.144 65 T CB -0.502 68.465 68.868 0.166 0.000 0.866 65 T HN 0.106 nan 8.240 nan 0.000 0.434 66 R N -0.210 120.322 120.500 0.053 0.000 2.105 66 R HA -0.082 4.247 4.340 -0.017 0.000 0.239 66 R C 2.051 178.491 176.300 0.233 0.000 1.135 66 R CA 1.298 57.482 56.100 0.140 0.000 0.967 66 R CB -0.272 30.039 30.300 0.018 0.000 0.861 66 R HN 0.280 nan 8.270 nan 0.000 0.442 67 F N 0.262 120.225 119.950 0.021 0.000 2.146 67 F HA 0.015 4.531 4.527 -0.017 0.000 0.298 67 F C 2.463 178.251 175.800 -0.019 0.000 1.096 67 F CA 0.648 58.627 58.000 -0.035 0.000 1.275 67 F CB -1.216 37.758 39.000 -0.045 0.000 1.008 67 F HN 0.108 nan 8.300 nan 0.000 0.480 68 A N -0.327 122.636 122.820 0.238 0.000 1.877 68 A HA -0.267 4.043 4.320 -0.017 0.000 0.216 68 A C 2.177 179.858 177.584 0.162 0.000 1.186 68 A CA 1.693 53.825 52.037 0.159 0.000 0.620 68 A CB -1.586 17.504 19.000 0.151 0.000 0.822 68 A HN 0.404 nan 8.150 nan 0.000 0.443 69 Y N 1.044 121.369 120.300 0.042 0.000 2.053 69 Y HA -0.248 4.292 4.550 -0.017 0.000 0.277 69 Y C 2.163 178.059 175.900 -0.006 0.000 1.159 69 Y CA 2.147 60.252 58.100 0.008 0.000 1.125 69 Y CB -1.048 37.423 38.460 0.018 0.000 0.969 69 Y HN 0.528 nan 8.280 nan 0.000 0.492 70 E N -0.136 119.920 120.200 -0.241 0.000 2.086 70 E HA -0.296 4.044 4.350 -0.017 0.000 0.200 70 E C 2.398 178.856 176.600 -0.237 0.000 1.012 70 E CA 1.744 57.929 56.400 -0.358 0.000 0.812 70 E CB -0.265 29.285 29.700 -0.250 0.000 0.743 70 E HN 0.449 nan 8.360 nan 0.000 0.453 71 R N -0.080 120.346 120.500 -0.123 0.000 2.105 71 R HA -0.155 4.175 4.340 -0.017 0.000 0.239 71 R C 2.572 178.830 176.300 -0.070 0.000 1.135 71 R CA 1.282 57.324 56.100 -0.098 0.000 0.967 71 R CB -0.554 29.718 30.300 -0.046 0.000 0.861 71 R HN 0.314 nan 8.270 nan 0.000 0.442 72 C N 0.072 119.351 119.300 -0.035 0.000 2.476 72 C HA -0.030 4.419 4.460 -0.017 0.000 0.278 72 C C 2.618 177.582 174.990 -0.043 0.000 1.274 72 C CA 0.514 59.524 59.018 -0.013 0.000 1.713 72 C CB -0.696 27.068 27.740 0.039 0.000 2.039 72 C HN 0.285 nan 8.230 nan 0.000 0.484 73 V N 1.975 121.830 119.914 -0.097 0.000 2.324 73 V HA -0.204 3.905 4.120 -0.017 0.000 0.250 73 V C 2.878 178.914 176.094 -0.096 0.000 1.060 73 V CA 2.361 64.585 62.300 -0.126 0.000 1.042 73 V CB -1.495 30.183 31.823 -0.241 0.000 0.650 73 V HN 0.696 nan 8.190 nan 0.000 0.450 74 A N 0.137 122.886 122.820 -0.118 0.000 1.858 74 A HA -0.112 4.198 4.320 -0.017 0.000 0.216 74 A C 2.488 180.039 177.584 -0.056 0.000 1.190 74 A CA 2.191 54.172 52.037 -0.093 0.000 0.617 74 A CB -1.005 17.912 19.000 -0.138 0.000 0.827 74 A HN 0.600 nan 8.150 nan 0.000 0.443 75 A N -0.281 122.509 122.820 -0.051 0.000 1.917 75 A HA -0.158 4.152 4.320 -0.017 0.000 0.219 75 A C 2.188 179.762 177.584 -0.017 0.000 1.182 75 A CA 1.768 53.789 52.037 -0.027 0.000 0.633 75 A CB -0.699 18.291 19.000 -0.016 0.000 0.819 75 A HN 0.501 nan 8.150 nan 0.000 0.448 76 L N -0.942 120.269 121.223 -0.019 0.000 2.093 76 L HA -0.114 4.215 4.340 -0.017 0.000 0.208 76 L C 2.223 179.093 176.870 -0.000 0.000 1.085 76 L CA 1.120 55.954 54.840 -0.010 0.000 0.755 76 L CB -0.381 41.669 42.059 -0.015 0.000 0.904 76 L HN 0.350 nan 8.230 nan 0.000 0.435 77 E N -0.004 120.199 120.200 0.004 0.000 2.489 77 E HA 0.028 4.367 4.350 -0.017 0.000 0.193 77 E C 1.339 177.945 176.600 0.009 0.000 1.057 77 E CA 0.708 57.122 56.400 0.024 0.000 0.866 77 E CB 0.364 30.099 29.700 0.057 0.000 0.916 77 E HN 0.487 nan 8.360 nan 0.000 0.500 78 G N 1.321 110.119 108.800 -0.003 0.000 2.160 78 G HA2 -0.254 3.696 3.960 -0.017 0.000 0.251 78 G HA3 -0.254 3.696 3.960 -0.017 0.000 0.251 78 G C 0.550 175.446 174.900 -0.007 0.000 1.008 78 G CA 0.290 45.387 45.100 -0.006 0.000 0.724 78 G HN 0.485 nan 8.290 nan 0.000 0.514 79 G N -1.632 107.162 108.800 -0.011 0.000 2.557 79 G HA2 0.699 4.649 3.960 -0.017 0.000 0.302 79 G HA3 0.699 4.649 3.960 -0.017 0.000 0.302 79 G C 1.083 175.965 174.900 -0.029 0.000 1.311 79 G CA 0.852 45.946 45.100 -0.011 0.000 1.030 79 G HN 1.032 nan 8.290 nan 0.000 0.509 80 T N -3.071 111.465 114.554 -0.029 0.000 3.034 80 T HA 0.323 4.662 4.350 -0.017 0.000 0.248 80 T C 0.826 175.469 174.700 -0.096 0.000 1.040 80 T CA 0.162 62.234 62.100 -0.046 0.000 1.107 80 T CB 0.256 69.111 68.868 -0.021 0.000 0.932 80 T HN 0.301 nan 8.240 nan 0.000 0.474 81 R N 0.607 121.032 120.500 -0.125 0.000 2.584 81 R HA 0.800 5.130 4.340 -0.017 0.000 0.276 81 R C -1.514 174.527 176.300 -0.433 0.000 1.046 81 R CA -0.447 55.464 56.100 -0.315 0.000 0.906 81 R CB 2.165 32.288 30.300 -0.296 0.000 1.215 81 R HN 0.382 nan 8.270 nan 0.000 0.449 82 A N 2.433 124.865 122.820 -0.647 0.000 2.384 82 A HA 0.906 5.215 4.320 -0.017 0.000 0.312 82 A C -1.355 175.675 177.584 -0.924 0.000 1.113 82 A CA -0.584 51.132 52.037 -0.536 0.000 0.779 82 A CB 1.092 19.917 19.000 -0.293 0.000 1.307 82 A HN 0.489 nan 8.150 nan 0.000 0.436 83 F N 0.513 120.430 119.950 -0.055 0.000 2.536 83 F HA 0.618 5.135 4.527 -0.017 0.000 0.322 83 F C 0.520 176.122 175.800 -0.330 0.000 1.144 83 F CA -0.470 57.415 58.000 -0.192 0.000 0.924 83 F CB 2.131 41.066 39.000 -0.108 0.000 1.181 83 F HN 0.693 nan 8.300 nan 0.000 0.438 84 A N 3.923 126.570 122.820 -0.287 0.000 2.290 84 A HA 0.838 5.148 4.320 -0.017 0.000 0.310 84 A C -1.236 176.147 177.584 -0.335 0.000 1.202 84 A CA -0.248 51.687 52.037 -0.171 0.000 0.837 84 A CB 0.254 19.252 19.000 -0.003 0.000 1.139 84 A HN 0.627 nan 8.150 nan 0.000 0.509 85 F N 0.560 120.622 119.950 0.188 0.000 2.631 85 F HA 0.575 5.092 4.527 -0.017 0.000 0.328 85 F C 1.413 177.306 175.800 0.154 0.000 1.067 85 F CA -0.043 58.053 58.000 0.159 0.000 0.969 85 F CB 1.820 40.906 39.000 0.144 0.000 1.332 85 F HN 0.593 nan 8.300 nan 0.000 0.490 86 A N 0.165 123.187 122.820 0.336 0.000 2.019 86 A HA 0.162 4.471 4.320 -0.017 0.000 0.219 86 A C 0.585 178.288 177.584 0.198 0.000 1.164 86 A CA 1.648 53.818 52.037 0.222 0.000 0.644 86 A CB -0.646 18.463 19.000 0.181 0.000 0.805 86 A HN 0.719 nan 8.150 nan 0.000 0.449 87 S N -4.919 110.912 115.700 0.219 0.000 2.643 87 S HA 0.520 4.980 4.470 -0.017 0.000 0.270 87 S C 0.939 175.645 174.600 0.176 0.000 1.166 87 S CA 0.043 58.344 58.200 0.168 0.000 0.815 87 S CB 0.790 64.062 63.200 0.121 0.000 1.139 87 S HN 0.719 nan 8.310 nan 0.000 0.472 88 G N 0.532 109.413 108.800 0.135 0.000 2.422 88 G HA2 -0.102 3.847 3.960 -0.017 0.000 0.218 88 G HA3 -0.102 3.847 3.960 -0.017 0.000 0.218 88 G C 1.151 176.096 174.900 0.076 0.000 1.146 88 G CA 1.018 46.186 45.100 0.114 0.000 0.769 88 G HN 0.500 nan 8.290 nan 0.000 0.547 89 M N 1.322 120.962 119.600 0.065 0.000 2.108 89 M HA 0.039 4.509 4.480 -0.017 0.000 0.261 89 M C 2.932 179.231 176.300 -0.002 0.000 1.066 89 M CA 1.127 56.449 55.300 0.037 0.000 1.107 89 M CB -1.274 31.357 32.600 0.051 0.000 1.356 89 M HN 0.319 nan 8.290 nan 0.000 0.406 90 A N -0.297 122.535 122.820 0.019 0.000 1.930 90 A HA 0.062 4.372 4.320 -0.017 0.000 0.217 90 A C 2.424 179.809 177.584 -0.332 0.000 1.175 90 A CA 1.871 53.886 52.037 -0.037 0.000 0.627 90 A CB -0.894 18.178 19.000 0.121 0.000 0.815 90 A HN 0.463 nan 8.150 nan 0.000 0.443 91 A N -0.658 121.946 122.820 -0.360 0.000 1.865 91 A HA -0.143 4.167 4.320 -0.017 0.000 0.217 91 A C 2.336 179.714 177.584 -0.343 0.000 1.191 91 A CA 2.494 54.114 52.037 -0.695 0.000 0.623 91 A CB -1.408 17.585 19.000 -0.011 0.000 0.826 91 A HN 0.427 nan 8.150 nan 0.000 0.444 92 T N 0.180 114.700 114.554 -0.056 0.000 2.674 92 T HA -0.135 4.205 4.350 -0.017 0.000 0.265 92 T C 2.271 176.977 174.700 0.009 0.000 1.039 92 T CA 1.770 63.927 62.100 0.095 0.000 1.150 92 T CB -0.490 68.397 68.868 0.031 0.000 0.864 92 T HN 0.508 nan 8.240 nan 0.000 0.427 93 S N 1.222 116.889 115.700 -0.055 0.000 2.372 93 S HA -0.180 4.279 4.470 -0.017 0.000 0.227 93 S C 2.360 176.924 174.600 -0.060 0.000 1.044 93 S CA 1.863 60.041 58.200 -0.037 0.000 1.050 93 S CB -0.865 62.311 63.200 -0.039 0.000 0.901 93 S HN 0.573 nan 8.310 nan 0.000 0.447 94 T N 1.974 116.416 114.554 -0.186 0.000 2.737 94 T HA -0.032 4.308 4.350 -0.017 0.000 0.265 94 T C 1.977 176.630 174.700 -0.080 0.000 1.038 94 T CA 1.146 63.147 62.100 -0.165 0.000 1.144 94 T CB -0.525 68.144 68.868 -0.332 0.000 0.866 94 T HN 0.187 nan 8.240 nan 0.000 0.434 95 V N 2.215 122.083 119.914 -0.076 0.000 2.278 95 V HA -0.247 3.863 4.120 -0.017 0.000 0.251 95 V C 2.589 178.746 176.094 0.105 0.000 1.062 95 V CA 1.614 63.950 62.300 0.060 0.000 1.038 95 V CB -0.615 31.319 31.823 0.185 0.000 0.646 95 V HN 0.465 nan 8.190 nan 0.000 0.447 96 M N -0.649 119.023 119.600 0.119 0.000 2.358 96 M HA -0.134 4.336 4.480 -0.017 0.000 0.264 96 M C 1.911 178.238 176.300 0.045 0.000 1.064 96 M CA 1.276 56.635 55.300 0.097 0.000 1.093 96 M CB -1.170 31.492 32.600 0.103 0.000 1.401 96 M HN 0.483 nan 8.290 nan 0.000 0.440 97 E N 0.147 120.368 120.200 0.035 0.000 2.511 97 E HA -0.010 4.329 4.350 -0.017 0.000 0.196 97 E C 1.943 178.566 176.600 0.037 0.000 1.066 97 E CA 0.116 56.534 56.400 0.031 0.000 0.871 97 E CB -0.147 29.570 29.700 0.028 0.000 0.863 97 E HN 0.514 nan 8.360 nan 0.000 0.520 98 L N 0.504 121.749 121.223 0.037 0.000 2.131 98 L HA -0.091 4.239 4.340 -0.017 0.000 0.210 98 L C 1.118 177.999 176.870 0.019 0.000 1.092 98 L CA 0.682 55.542 54.840 0.034 0.000 0.759 98 L CB -0.168 41.914 42.059 0.037 0.000 0.903 98 L HN 0.108 nan 8.230 nan 0.000 0.435 99 L N 0.253 121.480 121.223 0.007 0.000 2.349 99 L HA 0.126 4.456 4.340 -0.017 0.000 0.275 99 L C -0.229 176.630 176.870 -0.018 0.000 1.115 99 L CA -0.773 54.056 54.840 -0.018 0.000 0.820 99 L CB 0.345 42.370 42.059 -0.056 0.000 1.135 99 L HN -0.010 nan 8.230 nan 0.000 0.445 100 D N 1.736 122.123 120.400 -0.021 0.000 2.423 100 D HA 0.209 4.839 4.640 -0.017 0.000 0.238 100 D C 0.335 176.612 176.300 -0.038 0.000 1.142 100 D CA 0.054 54.041 54.000 -0.021 0.000 0.884 100 D CB 0.861 41.649 40.800 -0.020 0.000 1.199 100 D HN 0.625 nan 8.370 nan 0.000 0.438 101 A N 1.040 123.843 122.820 -0.028 0.000 2.561 101 A HA 0.430 4.740 4.320 -0.017 0.000 0.234 101 A C 1.553 179.108 177.584 -0.049 0.000 1.055 101 A CA 0.584 52.600 52.037 -0.036 0.000 0.756 101 A CB -0.304 18.684 19.000 -0.019 0.000 0.986 101 A HN 0.950 nan 8.150 nan 0.000 0.505 102 G N 1.548 110.306 108.800 -0.069 0.000 2.199 102 G HA2 -0.232 3.718 3.960 -0.017 0.000 0.254 102 G HA3 -0.232 3.718 3.960 -0.017 0.000 0.254 102 G C 0.614 175.455 174.900 -0.097 0.000 0.982 102 G CA 0.464 45.519 45.100 -0.075 0.000 0.632 102 G HN 1.288 nan 8.290 nan 0.000 0.529 103 S N 0.715 116.346 115.700 -0.115 0.000 2.566 103 S HA 0.322 4.781 4.470 -0.017 0.000 0.280 103 S C 0.334 174.827 174.600 -0.177 0.000 1.343 103 S CA -0.033 58.094 58.200 -0.121 0.000 1.036 103 S CB 0.632 63.752 63.200 -0.134 0.000 0.866 103 S HN 0.506 nan 8.310 nan 0.000 0.526 104 H N 0.887 119.819 119.070 -0.229 0.000 2.467 104 H HA 0.588 5.134 4.556 -0.017 0.000 0.331 104 H C -0.758 174.389 175.328 -0.302 0.000 1.120 104 H CA -0.604 55.270 56.048 -0.289 0.000 1.270 104 H CB 1.264 30.916 29.762 -0.183 0.000 1.466 104 H HN 0.418 nan 8.280 nan 0.000 0.504 105 V N 5.725 125.063 119.914 -0.960 0.000 2.656 105 V HA 0.435 4.545 4.120 -0.017 0.000 0.307 105 V C -1.121 174.550 176.094 -0.704 0.000 1.051 105 V CA -0.654 61.220 62.300 -0.710 0.000 0.893 105 V CB 1.498 33.015 31.823 -0.510 0.000 0.999 105 V HN 0.546 nan 8.190 nan 0.000 0.426 106 V N 5.923 125.644 119.914 -0.321 0.000 2.427 106 V HA 0.990 5.099 4.120 -0.017 0.000 0.286 106 V C 0.115 176.224 176.094 0.025 0.000 1.034 106 V CA 0.494 62.727 62.300 -0.111 0.000 0.893 106 V CB 0.914 32.810 31.823 0.121 0.000 0.982 106 V HN 1.889 nan 8.190 nan 0.000 0.452 107 A N 6.505 129.340 122.820 0.024 0.000 2.401 107 A HA 0.797 5.107 4.320 -0.017 0.000 0.310 107 A C -0.298 177.446 177.584 0.266 0.000 1.075 107 A CA -1.029 51.145 52.037 0.227 0.000 0.746 107 A CB 1.478 20.658 19.000 0.300 0.000 1.277 107 A HN 1.172 nan 8.150 nan 0.000 0.425 108 M N 2.489 122.270 119.600 0.301 0.000 2.336 108 M HA -0.014 4.455 4.480 -0.017 0.000 0.371 108 M C 0.902 177.405 176.300 0.339 0.000 1.542 108 M CA -0.155 55.296 55.300 0.252 0.000 0.959 108 M CB -0.456 32.271 32.600 0.211 0.000 2.033 108 M HN 0.805 nan 8.290 nan 0.000 0.472 109 D N 2.235 122.806 120.400 0.286 0.000 2.178 109 D HA -0.165 4.464 4.640 -0.017 0.000 0.201 109 D C 0.373 176.741 176.300 0.113 0.000 0.980 109 D CA 1.236 55.409 54.000 0.288 0.000 0.842 109 D CB -0.560 40.365 40.800 0.210 0.000 0.948 109 D HN 0.720 nan 8.370 nan 0.000 0.472 110 D N -0.486 119.965 120.400 0.085 0.000 3.008 110 D HA 0.115 4.745 4.640 -0.017 0.000 0.242 110 D C -0.477 175.840 176.300 0.028 0.000 1.222 110 D CA -0.336 53.674 54.000 0.016 0.000 0.883 110 D CB -0.312 40.504 40.800 0.026 0.000 1.110 110 D HN -0.011 nan 8.370 nan 0.000 0.455 111 L N 1.446 122.699 121.223 0.050 0.000 2.439 111 L HA 0.160 4.490 4.340 -0.017 0.000 0.269 111 L C -0.256 176.626 176.870 0.019 0.000 1.179 111 L CA -0.381 54.518 54.840 0.099 0.000 0.828 111 L CB 0.200 42.362 42.059 0.171 0.000 1.106 111 L HN 0.183 nan 8.230 nan 0.000 0.467 112 Y N 2.919 123.193 120.300 -0.043 0.000 2.904 112 Y HA 0.067 4.607 4.550 -0.018 0.000 0.336 112 Y C 1.438 177.294 175.900 -0.072 0.000 1.263 112 Y CA 0.904 58.966 58.100 -0.064 0.000 1.547 112 Y CB 0.824 39.254 38.460 -0.049 0.000 1.272 112 Y HN 0.817 nan 8.280 nan 0.000 0.596 113 G N 4.044 112.305 108.800 -0.899 0.000 2.529 113 G HA2 -0.338 3.612 3.960 -0.017 0.000 0.219 113 G HA3 -0.338 3.612 3.960 -0.017 0.000 0.219 113 G C 1.561 176.134 174.900 -0.546 0.000 1.177 113 G CA 0.876 45.584 45.100 -0.653 0.000 0.773 113 G HN 1.020 nan 8.290 nan 0.000 0.573 114 G N -0.418 107.892 108.800 -0.817 0.000 2.448 114 G HA2 -0.013 3.936 3.960 -0.017 0.000 0.218 114 G HA3 -0.013 3.936 3.960 -0.017 0.000 0.218 114 G C 1.817 176.610 174.900 -0.178 0.000 1.135 114 G CA 1.664 46.642 45.100 -0.205 0.000 0.784 114 G HN 0.423 nan 8.290 nan 0.000 0.543 115 T N 0.682 115.131 114.554 -0.175 0.000 2.770 115 T HA -0.073 4.267 4.350 -0.017 0.000 0.263 115 T C 1.926 176.114 174.700 -0.853 0.000 1.039 115 T CA 0.864 62.591 62.100 -0.621 0.000 1.142 115 T CB -0.287 68.191 68.868 -0.650 0.000 0.868 115 T HN 0.241 nan 8.240 nan 0.000 0.435 116 F N 2.440 122.040 119.950 -0.584 0.000 2.134 116 F HA -0.057 4.461 4.527 -0.016 0.000 0.299 116 F C 2.568 178.162 175.800 -0.343 0.000 1.097 116 F CA 1.301 59.036 58.000 -0.442 0.000 1.264 116 F CB -0.168 38.600 39.000 -0.387 0.000 1.001 116 F HN -0.091 nan 8.300 nan 0.000 0.479 117 R N 0.310 120.671 120.500 -0.233 0.000 2.096 117 R HA -0.179 4.151 4.340 -0.017 0.000 0.235 117 R C 2.227 178.376 176.300 -0.251 0.000 1.127 117 R CA 1.769 57.736 56.100 -0.222 0.000 0.968 117 R CB -0.656 29.579 30.300 -0.108 0.000 0.861 117 R HN 0.487 nan 8.270 nan 0.000 0.440 118 L N 0.459 121.523 121.223 -0.264 0.000 2.005 118 L HA -0.104 4.226 4.340 -0.017 0.000 0.207 118 L C 1.883 178.705 176.870 -0.080 0.000 1.072 118 L CA 1.642 56.388 54.840 -0.157 0.000 0.744 118 L CB -0.618 41.338 42.059 -0.172 0.000 0.895 118 L HN 0.059 nan 8.230 nan 0.000 0.433 119 F N 0.620 120.280 119.950 -0.484 0.000 2.025 119 F HA -0.220 4.297 4.527 -0.017 0.000 0.297 119 F C 2.779 178.198 175.800 -0.636 0.000 1.132 119 F CA 1.707 59.205 58.000 -0.838 0.000 1.191 119 F CB -1.310 36.862 39.000 -1.380 0.000 0.963 119 F HN 0.209 nan 8.300 nan 0.000 0.481 120 E N -0.154 119.764 120.200 -0.469 0.000 2.112 120 E HA -0.079 4.260 4.350 -0.017 0.000 0.190 120 E C 2.097 178.594 176.600 -0.172 0.000 0.979 120 E CA 0.675 56.861 56.400 -0.357 0.000 0.814 120 E CB -0.092 29.175 29.700 -0.722 0.000 0.762 120 E HN 0.423 nan 8.360 nan 0.000 0.460 121 R N -0.275 120.119 120.500 -0.176 0.000 2.397 121 R HA 0.167 4.496 4.340 -0.017 0.000 0.241 121 R C 1.529 177.803 176.300 -0.044 0.000 0.914 121 R CA -0.035 56.012 56.100 -0.088 0.000 1.071 121 R CB 1.001 31.249 30.300 -0.087 0.000 1.116 121 R HN -0.060 nan 8.270 nan 0.000 0.524 122 V N -0.530 119.365 119.914 -0.031 0.000 3.161 122 V HA 0.072 4.182 4.120 -0.017 0.000 0.221 122 V C 1.765 177.881 176.094 0.037 0.000 1.296 122 V CA 0.257 62.559 62.300 0.002 0.000 1.306 122 V CB 0.143 31.965 31.823 -0.000 0.000 1.171 122 V HN 0.044 nan 8.190 nan 0.000 0.513 123 R N 0.250 120.796 120.500 0.077 0.000 2.210 123 R HA 0.187 4.516 4.340 -0.017 0.000 0.203 123 R C 2.239 178.628 176.300 0.148 0.000 1.010 123 R CA 0.199 56.371 56.100 0.121 0.000 1.008 123 R CB -0.236 30.166 30.300 0.168 0.000 0.923 123 R HN 0.417 nan 8.270 nan 0.000 0.469 124 R N 0.743 121.363 120.500 0.201 0.000 2.132 124 R HA -0.200 4.129 4.340 -0.017 0.000 0.233 124 R C 2.294 178.635 176.300 0.069 0.000 1.125 124 R CA 1.854 58.045 56.100 0.151 0.000 0.914 124 R CB -0.483 29.906 30.300 0.150 0.000 0.845 124 R HN 0.153 nan 8.270 nan 0.000 0.431 125 R N -0.187 120.344 120.500 0.052 0.000 2.096 125 R HA -0.131 4.199 4.340 -0.017 0.000 0.240 125 R C 1.966 178.281 176.300 0.026 0.000 1.139 125 R CA 2.136 58.255 56.100 0.031 0.000 0.952 125 R CB -0.232 30.082 30.300 0.023 0.000 0.854 125 R HN 0.178 nan 8.270 nan 0.000 0.436 126 T N -1.250 113.322 114.554 0.031 0.000 3.035 126 T HA 0.173 4.512 4.350 -0.017 0.000 0.259 126 T C 0.892 175.604 174.700 0.020 0.000 1.078 126 T CA 0.963 63.078 62.100 0.024 0.000 1.132 126 T CB 0.425 69.309 68.868 0.028 0.000 0.900 126 T HN 0.427 nan 8.240 nan 0.000 0.480 127 A N -0.444 122.387 122.820 0.019 0.000 2.551 127 A HA 0.610 4.920 4.320 -0.017 0.000 0.252 127 A C 1.441 179.014 177.584 -0.018 0.000 1.199 127 A CA 0.559 52.597 52.037 0.002 0.000 0.972 127 A CB 0.006 19.006 19.000 0.001 0.000 1.153 127 A HN 0.541 nan 8.150 nan 0.000 0.559 128 G N 0.037 108.830 108.800 -0.011 0.000 2.198 128 G HA2 -0.217 3.733 3.960 -0.017 0.000 0.260 128 G HA3 -0.217 3.733 3.960 -0.017 0.000 0.260 128 G C 0.067 174.924 174.900 -0.071 0.000 1.025 128 G CA 0.472 45.556 45.100 -0.026 0.000 0.769 128 G HN 0.488 nan 8.290 nan 0.000 0.507 129 L N 0.118 121.281 121.223 -0.101 0.000 2.371 129 L HA 0.471 4.801 4.340 -0.017 0.000 0.272 129 L C 0.179 176.827 176.870 -0.369 0.000 1.124 129 L CA -0.556 54.103 54.840 -0.302 0.000 0.816 129 L CB 1.053 42.851 42.059 -0.436 0.000 1.129 129 L HN 0.143 nan 8.230 nan 0.000 0.448 130 D N 1.929 122.047 120.400 -0.470 0.000 2.217 130 D HA 0.461 5.091 4.640 -0.017 0.000 0.243 130 D C -1.219 174.692 176.300 -0.648 0.000 1.054 130 D CA -0.125 53.690 54.000 -0.308 0.000 0.838 130 D CB 1.022 41.798 40.800 -0.040 0.000 1.162 130 D HN 0.025 nan 8.370 nan 0.000 0.472 131 F N 1.022 120.900 119.950 -0.120 0.000 2.495 131 F HA 0.449 4.966 4.527 -0.017 0.000 0.327 131 F C 0.417 176.086 175.800 -0.218 0.000 1.103 131 F CA -0.808 56.965 58.000 -0.378 0.000 0.949 131 F CB 2.085 40.746 39.000 -0.565 0.000 1.142 131 F HN 0.065 nan 8.300 nan 0.000 0.457 132 S N 2.902 118.527 115.700 -0.125 0.000 2.474 132 S HA 0.502 4.962 4.470 -0.017 0.000 0.321 132 S C -0.971 173.547 174.600 -0.136 0.000 1.080 132 S CA -0.561 57.660 58.200 0.035 0.000 1.106 132 S CB 0.200 63.532 63.200 0.220 0.000 0.984 132 S HN 0.318 nan 8.310 nan 0.000 0.464 133 F N 2.511 122.593 119.950 0.220 0.000 2.404 133 F HA 0.396 4.913 4.527 -0.017 0.000 0.359 133 F C 0.202 176.099 175.800 0.161 0.000 1.134 133 F CA -0.526 57.596 58.000 0.204 0.000 1.160 133 F CB 0.495 39.627 39.000 0.220 0.000 1.186 133 F HN 0.187 nan 8.300 nan 0.000 0.526 134 V N 2.434 122.504 119.914 0.261 0.000 2.604 134 V HA 0.158 4.268 4.120 -0.017 0.000 0.305 134 V C -0.401 175.796 176.094 0.170 0.000 1.043 134 V CA -1.104 61.316 62.300 0.200 0.000 0.888 134 V CB 2.053 33.997 31.823 0.201 0.000 0.995 134 V HN 0.514 nan 8.190 nan 0.000 0.429 135 D N 3.650 124.133 120.400 0.138 0.000 2.429 135 D HA 0.069 4.698 4.640 -0.017 0.000 0.253 135 D C 1.067 177.426 176.300 0.099 0.000 1.294 135 D CA 0.327 54.391 54.000 0.106 0.000 1.063 135 D CB 0.189 41.039 40.800 0.084 0.000 1.096 135 D HN 0.500 nan 8.370 nan 0.000 0.516 136 L N 2.446 123.718 121.223 0.082 0.000 2.549 136 L HA -0.092 4.238 4.340 -0.017 0.000 0.229 136 L C 2.391 179.282 176.870 0.035 0.000 1.158 136 L CA 1.090 55.954 54.840 0.040 0.000 0.842 136 L CB -0.743 41.296 42.059 -0.034 0.000 0.952 136 L HN 0.486 nan 8.230 nan 0.000 0.452 137 T N -4.147 110.436 114.554 0.047 0.000 3.077 137 T HA -0.156 4.184 4.350 -0.017 0.000 0.269 137 T C 0.629 175.361 174.700 0.053 0.000 1.146 137 T CA 0.559 62.687 62.100 0.046 0.000 1.091 137 T CB -0.268 68.629 68.868 0.050 0.000 0.892 137 T HN 0.119 nan 8.240 nan 0.000 0.533 138 D N 1.436 121.877 120.400 0.068 0.000 2.446 138 D HA 0.389 5.018 4.640 -0.017 0.000 0.251 138 D C -2.094 174.272 176.300 0.109 0.000 1.137 138 D CA -2.756 51.289 54.000 0.076 0.000 0.890 138 D CB 1.833 42.675 40.800 0.071 0.000 1.071 138 D HN -0.042 nan 8.370 nan 0.000 0.528 139 P HA -0.090 nan 4.420 nan 0.000 0.221 139 P C 0.992 178.383 177.300 0.153 0.000 1.145 139 P CA 0.886 64.087 63.100 0.169 0.000 0.795 139 P CB 0.347 32.126 31.700 0.131 0.000 0.775 140 A N 0.119 122.993 122.820 0.091 0.000 1.898 140 A HA -0.058 4.251 4.320 -0.017 0.000 0.216 140 A C 2.311 179.920 177.584 0.043 0.000 1.181 140 A CA 1.861 53.928 52.037 0.050 0.000 0.620 140 A CB -1.506 17.516 19.000 0.038 0.000 0.819 140 A HN 0.199 nan 8.150 nan 0.000 0.442 141 A N -0.987 121.879 122.820 0.077 0.000 1.933 141 A HA -0.017 4.293 4.320 -0.017 0.000 0.218 141 A C 2.001 179.659 177.584 0.123 0.000 1.175 141 A CA 1.608 53.696 52.037 0.085 0.000 0.628 141 A CB -0.712 18.347 19.000 0.098 0.000 0.814 141 A HN 0.697 nan 8.150 nan 0.000 0.444 142 F N 0.962 120.917 119.950 0.008 0.000 2.069 142 F HA -0.174 4.343 4.527 -0.017 0.000 0.298 142 F C 2.120 177.893 175.800 -0.045 0.000 1.113 142 F CA 2.243 60.239 58.000 -0.006 0.000 1.214 142 F CB -0.437 38.559 39.000 -0.007 0.000 0.978 142 F HN 0.230 nan 8.300 nan 0.000 0.474 143 K N 0.245 120.402 120.400 -0.406 0.000 2.097 143 K HA -0.113 4.197 4.320 -0.017 0.000 0.206 143 K C 2.051 178.437 176.600 -0.357 0.000 1.049 143 K CA 1.179 57.136 56.287 -0.551 0.000 0.933 143 K CB -0.471 31.865 32.500 -0.272 0.000 0.717 143 K HN 0.322 nan 8.250 nan 0.000 0.442 144 A N 0.215 122.930 122.820 -0.175 0.000 2.216 144 A HA 0.038 4.348 4.320 -0.017 0.000 0.214 144 A C 1.836 179.364 177.584 -0.092 0.000 1.160 144 A CA 1.370 53.346 52.037 -0.101 0.000 0.725 144 A CB -0.304 18.673 19.000 -0.038 0.000 0.784 144 A HN 0.437 nan 8.150 nan 0.000 0.472 145 A N -0.776 121.973 122.820 -0.118 0.000 2.303 145 A HA 0.450 4.760 4.320 -0.017 0.000 0.217 145 A C 0.708 178.268 177.584 -0.040 0.000 1.205 145 A CA -0.253 51.768 52.037 -0.027 0.000 0.875 145 A CB -0.060 18.990 19.000 0.084 0.000 0.910 145 A HN 0.393 nan 8.150 nan 0.000 0.501 146 I N 1.502 121.954 120.570 -0.196 0.000 2.529 146 I HA 0.208 4.368 4.170 -0.017 0.000 0.284 146 I C 0.377 176.435 176.117 -0.099 0.000 1.082 146 I CA -0.014 61.178 61.300 -0.179 0.000 1.406 146 I CB 0.666 38.410 38.000 -0.427 0.000 1.405 146 I HN 0.292 nan 8.210 nan 0.000 0.548 147 R N 3.926 124.399 120.500 -0.045 0.000 2.912 147 R HA 0.576 4.905 4.340 -0.017 0.000 0.262 147 R C 0.569 176.857 176.300 -0.021 0.000 1.057 147 R CA -0.807 55.251 56.100 -0.071 0.000 0.981 147 R CB 1.110 31.301 30.300 -0.181 0.000 1.201 147 R HN 0.647 nan 8.270 nan 0.000 0.484 148 A N 0.380 123.182 122.820 -0.030 0.000 1.972 148 A HA -0.191 4.118 4.320 -0.017 0.000 0.219 148 A C 1.459 179.038 177.584 -0.008 0.000 1.169 148 A CA 1.843 53.873 52.037 -0.012 0.000 0.635 148 A CB -0.443 18.543 19.000 -0.023 0.000 0.810 148 A HN 0.712 nan 8.150 nan 0.000 0.446 149 D N -0.368 120.017 120.400 -0.024 0.000 2.310 149 D HA -0.023 4.606 4.640 -0.017 0.000 0.212 149 D C 0.229 176.552 176.300 0.038 0.000 0.965 149 D CA 0.727 54.720 54.000 -0.013 0.000 0.879 149 D CB -0.196 40.571 40.800 -0.056 0.000 0.921 149 D HN 0.330 nan 8.370 nan 0.000 0.510 150 T N 0.074 114.676 114.554 0.080 0.000 2.832 150 T HA 0.206 4.546 4.350 -0.017 0.000 0.296 150 T C 1.037 175.764 174.700 0.046 0.000 0.968 150 T CA -0.149 62.027 62.100 0.127 0.000 1.107 150 T CB 1.738 70.734 68.868 0.213 0.000 0.916 150 T HN -0.163 nan 8.240 nan 0.000 0.517 151 K N 1.425 121.823 120.400 -0.003 0.000 2.450 151 K HA 0.410 4.720 4.320 -0.017 0.000 0.206 151 K C -0.016 176.592 176.600 0.013 0.000 1.148 151 K CA 0.114 56.401 56.287 0.000 0.000 1.014 151 K CB 0.742 33.225 32.500 -0.028 0.000 0.966 151 K HN 0.603 nan 8.250 nan 0.000 0.566 152 M N 0.472 120.074 119.600 0.003 0.000 2.414 152 M HA 0.319 4.789 4.480 -0.017 0.000 0.287 152 M C -1.908 174.428 176.300 0.060 0.000 1.181 152 M CA -0.869 54.453 55.300 0.037 0.000 0.933 152 M CB 1.956 34.576 32.600 0.034 0.000 1.732 152 M HN -0.198 nan 8.290 nan 0.000 0.486 153 V N 4.847 124.808 119.914 0.079 0.000 2.459 153 V HA 0.590 4.700 4.120 -0.017 0.000 0.295 153 V C -1.815 174.320 176.094 0.068 0.000 1.029 153 V CA -0.200 62.124 62.300 0.040 0.000 0.874 153 V CB 1.946 33.666 31.823 -0.171 0.000 0.985 153 V HN 0.894 nan 8.190 nan 0.000 0.438 154 W N 8.644 129.929 121.300 -0.026 0.000 2.278 154 W HA 0.537 5.187 4.660 -0.018 0.000 0.317 154 W C -1.217 175.313 176.519 0.017 0.000 1.030 154 W CA -0.837 56.543 57.345 0.058 0.000 1.334 154 W CB 1.321 30.930 29.460 0.248 0.000 1.215 154 W HN 0.500 nan 8.180 nan 0.000 0.405 155 I N 4.599 124.995 120.570 -0.289 0.000 2.353 155 I HA 0.210 4.370 4.170 -0.017 0.000 0.293 155 I C 0.053 176.020 176.117 -0.249 0.000 0.992 155 I CA -0.319 60.856 61.300 -0.208 0.000 1.268 155 I CB 1.745 39.610 38.000 -0.226 0.000 1.387 155 I HN 0.336 nan 8.210 nan 0.000 0.478 156 E N 4.656 124.823 120.200 -0.056 0.000 2.176 156 E HA 0.531 4.870 4.350 -0.017 0.000 0.267 156 E C -1.179 175.376 176.600 -0.075 0.000 0.893 156 E CA -0.449 55.915 56.400 -0.059 0.000 0.761 156 E CB 1.801 31.532 29.700 0.052 0.000 1.133 156 E HN 0.591 nan 8.360 nan 0.000 0.409 157 T N 4.869 119.365 114.554 -0.098 0.000 3.435 157 T HA 0.368 4.707 4.350 -0.017 0.000 0.344 157 T C -2.899 171.787 174.700 -0.024 0.000 1.211 157 T CA -1.461 60.605 62.100 -0.057 0.000 1.104 157 T CB 1.296 70.137 68.868 -0.044 0.000 1.196 157 T HN 0.247 nan 8.240 nan 0.000 0.471 158 P HA 0.278 nan 4.420 nan 0.000 0.272 158 P C 0.049 177.293 177.300 -0.094 0.000 1.223 158 P CA -0.171 62.959 63.100 0.050 0.000 0.784 158 P CB 0.426 32.238 31.700 0.187 0.000 0.923 159 T N -0.990 113.530 114.554 -0.057 0.000 2.847 159 T HA 0.307 4.646 4.350 -0.017 0.000 0.279 159 T C 0.061 174.674 174.700 -0.145 0.000 0.984 159 T CA -0.658 61.352 62.100 -0.150 0.000 0.988 159 T CB 0.380 69.232 68.868 -0.027 0.000 1.040 159 T HN 0.223 nan 8.240 nan 0.000 0.528 160 N N 1.753 120.350 118.700 -0.171 0.000 2.424 160 N HA 0.394 5.124 4.740 -0.017 0.000 0.271 160 N C -1.999 173.574 175.510 0.106 0.000 0.985 160 N CA -2.390 50.689 53.050 0.048 0.000 0.921 160 N CB 1.691 40.196 38.487 0.030 0.000 1.149 160 N HN 0.469 nan 8.380 nan 0.000 0.492 161 P HA 0.198 nan 4.420 nan 0.000 0.268 161 P C 0.560 177.975 177.300 0.192 0.000 1.329 161 P CA 0.171 63.408 63.100 0.228 0.000 0.899 161 P CB 0.389 32.193 31.700 0.172 0.000 1.378 162 M N -0.482 119.201 119.600 0.139 0.000 2.556 162 M HA 0.169 4.639 4.480 -0.017 0.000 0.245 162 M C 0.761 177.160 176.300 0.166 0.000 1.128 162 M CA 0.120 55.490 55.300 0.116 0.000 1.069 162 M CB -0.528 32.109 32.600 0.062 0.000 1.469 162 M HN -0.110 nan 8.290 nan 0.000 0.494 163 L N 1.246 122.595 121.223 0.211 0.000 3.660 163 L HA -0.265 4.065 4.340 -0.017 0.000 0.440 163 L C -0.196 176.839 176.870 0.276 0.000 1.262 163 L CA 0.546 55.540 54.840 0.256 0.000 0.837 163 L CB -1.902 40.336 42.059 0.298 0.000 1.689 163 L HN 0.317 nan 8.230 nan 0.000 0.890 164 K N 0.450 120.953 120.400 0.171 0.000 2.270 164 K HA 0.539 4.849 4.320 -0.017 0.000 0.276 164 K C -0.131 176.540 176.600 0.118 0.000 1.023 164 K CA -0.791 55.588 56.287 0.153 0.000 0.955 164 K CB 1.047 33.597 32.500 0.084 0.000 0.975 164 K HN -0.038 nan 8.250 nan 0.000 0.471 165 L N 2.080 123.376 121.223 0.122 0.000 2.331 165 L HA 0.440 4.770 4.340 -0.017 0.000 0.275 165 L C -0.467 176.425 176.870 0.037 0.000 1.022 165 L CA -0.555 54.320 54.840 0.058 0.000 0.812 165 L CB 1.640 43.723 42.059 0.040 0.000 1.257 165 L HN 0.434 nan 8.230 nan 0.000 0.435 166 V N 0.205 120.122 119.914 0.004 0.000 2.715 166 V HA 0.555 4.664 4.120 -0.017 0.000 0.310 166 V C -0.795 175.285 176.094 -0.024 0.000 1.054 166 V CA -0.674 61.620 62.300 -0.011 0.000 0.928 166 V CB 1.983 33.785 31.823 -0.034 0.000 1.007 166 V HN 0.778 nan 8.190 nan 0.000 0.437 167 D N 4.123 124.512 120.400 -0.018 0.000 2.422 167 D HA 0.280 4.910 4.640 -0.017 0.000 0.227 167 D C 1.178 177.457 176.300 -0.035 0.000 1.190 167 D CA 0.052 54.042 54.000 -0.017 0.000 0.905 167 D CB 0.707 41.508 40.800 0.002 0.000 1.034 167 D HN 0.620 nan 8.370 nan 0.000 0.507 168 I N 2.684 123.226 120.570 -0.048 0.000 2.208 168 I HA -0.289 3.870 4.170 -0.017 0.000 0.245 168 I C 2.414 178.504 176.117 -0.046 0.000 1.097 168 I CA 1.150 62.410 61.300 -0.067 0.000 1.363 168 I CB -0.096 37.862 38.000 -0.070 0.000 1.051 168 I HN 0.406 nan 8.210 nan 0.000 0.413 169 A N 0.717 123.522 122.820 -0.025 0.000 1.902 169 A HA -0.166 4.143 4.320 -0.017 0.000 0.217 169 A C 2.541 180.130 177.584 0.009 0.000 1.181 169 A CA 1.941 53.973 52.037 -0.008 0.000 0.623 169 A CB -0.849 18.149 19.000 -0.003 0.000 0.818 169 A HN 0.438 nan 8.150 nan 0.000 0.443 170 A N -0.260 122.568 122.820 0.012 0.000 1.898 170 A HA -0.006 4.303 4.320 -0.017 0.000 0.216 170 A C 2.001 179.623 177.584 0.063 0.000 1.181 170 A CA 1.538 53.598 52.037 0.039 0.000 0.620 170 A CB -0.407 18.616 19.000 0.039 0.000 0.819 170 A HN 0.403 nan 8.150 nan 0.000 0.442 171 I N -0.102 120.474 120.570 0.011 0.000 2.286 171 I HA -0.165 3.995 4.170 -0.017 0.000 0.245 171 I C 2.899 179.032 176.117 0.026 0.000 1.104 171 I CA 1.353 62.633 61.300 -0.034 0.000 1.397 171 I CB -1.579 36.257 38.000 -0.273 0.000 1.072 171 I HN 0.351 nan 8.210 nan 0.000 0.417 172 A N 0.465 123.283 122.820 -0.004 0.000 1.933 172 A HA -0.158 4.152 4.320 -0.017 0.000 0.218 172 A C 2.591 180.220 177.584 0.076 0.000 1.175 172 A CA 1.791 53.838 52.037 0.017 0.000 0.628 172 A CB -1.032 17.960 19.000 -0.012 0.000 0.814 172 A HN 0.266 nan 8.150 nan 0.000 0.444 173 V N 0.134 120.097 119.914 0.081 0.000 2.307 173 V HA -0.206 3.903 4.120 -0.017 0.000 0.245 173 V C 2.242 178.423 176.094 0.146 0.000 1.045 173 V CA 2.156 64.512 62.300 0.092 0.000 1.024 173 V CB -0.421 31.442 31.823 0.067 0.000 0.651 173 V HN 0.569 nan 8.190 nan 0.000 0.449 174 I N 0.636 121.325 120.570 0.198 0.000 2.163 174 I HA -0.216 3.944 4.170 -0.017 0.000 0.243 174 I C 2.785 179.087 176.117 0.309 0.000 1.085 174 I CA 1.635 63.084 61.300 0.247 0.000 1.347 174 I CB -0.760 37.387 38.000 0.244 0.000 1.044 174 I HN 0.407 nan 8.210 nan 0.000 0.408 175 A N 0.690 123.741 122.820 0.385 0.000 1.883 175 A HA -0.274 4.035 4.320 -0.017 0.000 0.217 175 A C 2.444 180.159 177.584 0.218 0.000 1.186 175 A CA 2.028 54.275 52.037 0.350 0.000 0.624 175 A CB -0.697 18.472 19.000 0.282 0.000 0.822 175 A HN 0.343 nan 8.150 nan 0.000 0.444 176 R N -0.884 119.709 120.500 0.156 0.000 2.092 176 R HA -0.106 4.223 4.340 -0.017 0.000 0.231 176 R C 1.906 178.261 176.300 0.092 0.000 1.119 176 R CA 1.317 57.478 56.100 0.101 0.000 0.970 176 R CB -0.100 30.240 30.300 0.066 0.000 0.864 176 R HN 0.202 nan 8.270 nan 0.000 0.440 177 K N -0.218 120.251 120.400 0.114 0.000 2.209 177 K HA -0.141 4.169 4.320 -0.017 0.000 0.204 177 K C 1.161 177.726 176.600 -0.057 0.000 1.048 177 K CA 1.484 57.794 56.287 0.039 0.000 0.940 177 K CB -0.211 32.322 32.500 0.054 0.000 0.729 177 K HN 0.415 nan 8.250 nan 0.000 0.451 178 H N -1.442 117.635 119.070 0.012 0.000 2.549 178 H HA 0.222 4.768 4.556 -0.017 0.000 0.279 178 H C 0.805 176.137 175.328 0.007 0.000 1.018 178 H CA 0.545 56.590 56.048 -0.005 0.000 1.175 178 H CB 0.567 30.308 29.762 -0.036 0.000 1.485 178 H HN 0.347 nan 8.280 nan 0.000 0.543 179 G N 0.473 109.330 108.800 0.095 0.000 2.137 179 G HA2 -0.259 3.691 3.960 -0.017 0.000 0.237 179 G HA3 -0.259 3.691 3.960 -0.017 0.000 0.237 179 G C -0.429 174.517 174.900 0.076 0.000 1.002 179 G CA -0.177 44.961 45.100 0.063 0.000 0.702 179 G HN 0.132 nan 8.290 nan 0.000 0.515 180 L N 0.199 121.487 121.223 0.108 0.000 2.325 180 L HA 0.631 4.961 4.340 -0.017 0.000 0.279 180 L C 1.044 177.962 176.870 0.079 0.000 1.054 180 L CA -0.747 54.156 54.840 0.104 0.000 0.804 180 L CB 1.423 43.581 42.059 0.166 0.000 1.200 180 L HN 0.146 nan 8.230 nan 0.000 0.436 181 L N 2.234 123.491 121.223 0.057 0.000 2.453 181 L HA 0.222 4.552 4.340 -0.017 0.000 0.272 181 L C 0.125 177.013 176.870 0.029 0.000 1.182 181 L CA 0.235 55.098 54.840 0.040 0.000 0.858 181 L CB 0.267 42.348 42.059 0.037 0.000 1.120 181 L HN 0.611 nan 8.230 nan 0.000 0.474 182 T N 3.038 117.590 114.554 -0.004 0.000 2.770 182 T HA 0.481 4.820 4.350 -0.017 0.000 0.283 182 T C -0.262 174.372 174.700 -0.109 0.000 0.988 182 T CA -0.418 61.648 62.100 -0.057 0.000 0.957 182 T CB 1.598 70.430 68.868 -0.061 0.000 0.930 182 T HN 0.181 nan 8.240 nan 0.000 0.443 183 V N 4.170 123.969 119.914 -0.193 0.000 2.459 183 V HA 0.548 4.658 4.120 -0.017 0.000 0.295 183 V C -0.277 175.506 176.094 -0.518 0.000 1.029 183 V CA -0.721 61.365 62.300 -0.358 0.000 0.874 183 V CB 1.964 33.491 31.823 -0.494 0.000 0.985 183 V HN 0.677 nan 8.190 nan 0.000 0.438 184 V N 3.260 122.904 119.914 -0.451 0.000 2.448 184 V HA 0.387 4.496 4.120 -0.017 0.000 0.295 184 V C -0.389 175.419 176.094 -0.478 0.000 1.025 184 V CA -0.629 61.405 62.300 -0.443 0.000 0.859 184 V CB 1.962 33.628 31.823 -0.262 0.000 0.988 184 V HN 0.893 nan 8.190 nan 0.000 0.431 185 D N 3.795 123.902 120.400 -0.488 0.000 2.365 185 D HA 0.113 4.743 4.640 -0.017 0.000 0.237 185 D C 0.410 176.559 176.300 -0.251 0.000 1.190 185 D CA 0.066 53.882 54.000 -0.306 0.000 0.867 185 D CB 0.810 41.554 40.800 -0.094 0.000 1.050 185 D HN 0.535 nan 8.370 nan 0.000 0.491 186 N N 2.192 120.672 118.700 -0.366 0.000 2.251 186 N HA 0.025 4.754 4.740 -0.017 0.000 0.217 186 N C 0.997 176.415 175.510 -0.152 0.000 1.124 186 N CA -0.016 52.846 53.050 -0.314 0.000 0.843 186 N CB 0.398 38.641 38.487 -0.406 0.000 1.024 186 N HN 0.225 nan 8.380 nan 0.000 0.501 187 T N -0.014 114.520 114.554 -0.032 0.000 2.624 187 T HA -0.152 4.187 4.350 -0.017 0.000 0.268 187 T C 1.176 176.171 174.700 0.491 0.000 1.041 187 T CA 1.321 63.592 62.100 0.285 0.000 1.159 187 T CB -0.359 68.644 68.868 0.226 0.000 0.863 187 T HN 0.186 nan 8.240 nan 0.000 0.434 188 F N 1.382 121.420 119.950 0.146 0.000 2.146 188 F HA 0.133 4.649 4.527 -0.017 0.000 0.298 188 F C 2.610 178.404 175.800 -0.011 0.000 1.096 188 F CA 0.236 58.340 58.000 0.174 0.000 1.275 188 F CB -1.144 37.927 39.000 0.119 0.000 1.008 188 F HN 0.171 nan 8.300 nan 0.000 0.480 189 A N -0.597 122.329 122.820 0.176 0.000 1.903 189 A HA 0.187 4.497 4.320 -0.017 0.000 0.213 189 A C 0.998 178.566 177.584 -0.027 0.000 1.185 189 A CA 1.058 53.104 52.037 0.016 0.000 0.628 189 A CB -0.883 18.128 19.000 0.018 0.000 0.830 189 A HN 0.526 nan 8.150 nan 0.000 0.446 190 S N -2.566 113.205 115.700 0.118 0.000 3.663 190 S HA -0.091 4.369 4.470 -0.017 0.000 0.779 190 S C -1.780 172.898 174.600 0.129 0.000 1.254 190 S CA 0.300 58.612 58.200 0.186 0.000 1.164 190 S CB -1.795 61.433 63.200 0.046 0.000 0.532 190 S HN 0.104 nan 8.310 nan 0.000 0.505 191 P HA -0.102 nan 4.420 nan 0.000 0.218 191 P C 1.692 179.002 177.300 0.017 0.000 1.146 191 P CA 1.891 65.032 63.100 0.067 0.000 0.813 191 P CB -0.113 31.605 31.700 0.029 0.000 0.778 192 M N -1.936 117.664 119.600 -0.000 0.000 2.296 192 M HA -0.026 4.444 4.480 -0.017 0.000 0.265 192 M C 1.819 178.091 176.300 -0.046 0.000 1.064 192 M CA 1.472 56.758 55.300 -0.023 0.000 1.109 192 M CB -1.226 31.357 32.600 -0.028 0.000 1.396 192 M HN 0.055 nan 8.290 nan 0.000 0.430 193 L N -1.330 119.861 121.223 -0.053 0.000 2.609 193 L HA 0.174 4.504 4.340 -0.017 0.000 0.230 193 L C 0.543 177.370 176.870 -0.073 0.000 1.064 193 L CA -0.042 54.746 54.840 -0.087 0.000 0.873 193 L CB 0.166 42.156 42.059 -0.114 0.000 1.139 193 L HN 0.277 nan 8.230 nan 0.000 0.490 194 Q N -0.194 119.584 119.800 -0.038 0.000 2.438 194 Q HA 0.455 4.784 4.340 -0.017 0.000 0.272 194 Q C -1.081 174.913 176.000 -0.010 0.000 0.994 194 Q CA -0.799 54.984 55.803 -0.033 0.000 0.887 194 Q CB 2.110 30.823 28.738 -0.041 0.000 1.432 194 Q HN -0.015 nan 8.270 nan 0.000 0.392 195 R N 2.709 123.200 120.500 -0.015 0.000 2.402 195 R HA 0.320 4.649 4.340 -0.017 0.000 0.290 195 R C -2.147 174.143 176.300 -0.018 0.000 1.321 195 R CA -1.770 54.328 56.100 -0.004 0.000 1.283 195 R CB 1.067 31.365 30.300 -0.003 0.000 1.111 195 R HN 0.512 nan 8.270 nan 0.000 0.578 196 P HA -0.171 nan 4.420 nan 0.000 0.218 196 P C 0.778 178.056 177.300 -0.037 0.000 1.148 196 P CA 1.073 64.144 63.100 -0.049 0.000 0.822 196 P CB 0.280 31.930 31.700 -0.083 0.000 0.784 197 L N -0.593 120.616 121.223 -0.023 0.000 2.187 197 L HA -0.152 4.178 4.340 -0.017 0.000 0.213 197 L C 2.230 179.093 176.870 -0.012 0.000 1.100 197 L CA 1.910 56.742 54.840 -0.013 0.000 0.765 197 L CB -1.008 41.051 42.059 -0.000 0.000 0.904 197 L HN 0.144 nan 8.230 nan 0.000 0.437 198 S N -1.010 114.683 115.700 -0.013 0.000 2.593 198 S HA 0.082 4.542 4.470 -0.017 0.000 0.217 198 S C 1.326 175.918 174.600 -0.014 0.000 0.966 198 S CA 0.058 58.251 58.200 -0.011 0.000 0.914 198 S CB -0.041 63.153 63.200 -0.011 0.000 0.776 198 S HN 0.421 nan 8.310 nan 0.000 0.523 199 L N 0.667 121.879 121.223 -0.019 0.000 2.910 199 L HA 0.488 4.817 4.340 -0.017 0.000 0.252 199 L C 1.556 178.414 176.870 -0.019 0.000 1.195 199 L CA 0.231 55.059 54.840 -0.021 0.000 1.003 199 L CB 0.317 42.359 42.059 -0.029 0.000 1.328 199 L HN 0.523 nan 8.230 nan 0.000 0.540 200 G N -0.027 108.764 108.800 -0.016 0.000 2.195 200 G HA2 -0.242 3.708 3.960 -0.017 0.000 0.224 200 G HA3 -0.242 3.708 3.960 -0.017 0.000 0.224 200 G C 0.498 175.386 174.900 -0.020 0.000 0.990 200 G CA -0.128 44.965 45.100 -0.011 0.000 0.639 200 G HN 0.447 nan 8.290 nan 0.000 0.514 201 A N 0.393 123.190 122.820 -0.039 0.000 2.483 201 A HA 0.500 4.809 4.320 -0.017 0.000 0.238 201 A C 1.193 178.757 177.584 -0.032 0.000 1.070 201 A CA 1.088 53.091 52.037 -0.056 0.000 0.770 201 A CB 0.266 19.216 19.000 -0.084 0.000 1.008 201 A HN 0.240 nan 8.150 nan 0.000 0.497 202 D N 0.451 120.833 120.400 -0.031 0.000 2.201 202 D HA 0.153 4.783 4.640 -0.017 0.000 0.209 202 D C 0.084 176.386 176.300 0.002 0.000 0.961 202 D CA 1.168 55.164 54.000 -0.005 0.000 0.861 202 D CB 0.089 40.892 40.800 0.005 0.000 0.997 202 D HN 0.447 nan 8.370 nan 0.000 0.486 203 L N 0.178 121.385 121.223 -0.026 0.000 2.371 203 L HA 0.443 4.772 4.340 -0.017 0.000 0.262 203 L C -0.719 176.106 176.870 -0.074 0.000 1.006 203 L CA -0.861 53.973 54.840 -0.010 0.000 0.818 203 L CB 3.058 45.122 42.059 0.009 0.000 1.354 203 L HN -0.359 nan 8.230 nan 0.000 0.415 204 V N 1.892 121.783 119.914 -0.039 0.000 2.540 204 V HA 0.581 4.691 4.120 -0.017 0.000 0.302 204 V C -0.446 175.614 176.094 -0.058 0.000 1.035 204 V CA -0.691 61.548 62.300 -0.102 0.000 0.873 204 V CB 2.231 34.024 31.823 -0.050 0.000 0.992 204 V HN 0.429 nan 8.190 nan 0.000 0.428 205 V N 4.236 124.049 119.914 -0.168 0.000 2.667 205 V HA 0.623 4.732 4.120 -0.017 0.000 0.308 205 V C -0.619 175.385 176.094 -0.151 0.000 1.048 205 V CA -0.540 61.737 62.300 -0.037 0.000 0.928 205 V CB 1.941 33.776 31.823 0.021 0.000 1.004 205 V HN 0.872 nan 8.190 nan 0.000 0.444 206 H N 1.284 120.416 119.070 0.104 0.000 2.851 206 H HA 0.317 4.863 4.556 -0.017 0.000 0.372 206 H C -0.578 174.823 175.328 0.122 0.000 1.158 206 H CA -0.523 55.590 56.048 0.109 0.000 1.159 206 H CB 2.245 32.081 29.762 0.124 0.000 1.757 206 H HN 0.562 nan 8.280 nan 0.000 0.546 207 S N 1.364 117.194 115.700 0.216 0.000 2.405 207 S HA 0.250 4.710 4.470 -0.017 0.000 0.291 207 S C 1.163 175.886 174.600 0.205 0.000 1.137 207 S CA -0.118 58.181 58.200 0.165 0.000 1.061 207 S CB 0.061 63.291 63.200 0.051 0.000 1.001 207 S HN 0.724 nan 8.310 nan 0.000 0.507 208 A N 4.587 127.536 122.820 0.216 0.000 2.067 208 A HA 0.016 4.325 4.320 -0.017 0.000 0.219 208 A C 2.083 179.745 177.584 0.131 0.000 1.158 208 A CA 1.680 53.834 52.037 0.196 0.000 0.661 208 A CB -1.102 18.061 19.000 0.272 0.000 0.801 208 A HN 0.812 nan 8.150 nan 0.000 0.452 209 T N 0.524 115.144 114.554 0.110 0.000 2.802 209 T HA -0.183 4.156 4.350 -0.017 0.000 0.269 209 T C 1.552 176.264 174.700 0.020 0.000 1.062 209 T CA 1.737 63.876 62.100 0.065 0.000 1.133 209 T CB -0.127 68.777 68.868 0.059 0.000 0.852 209 T HN 0.541 nan 8.240 nan 0.000 0.485 210 K N 0.235 120.646 120.400 0.018 0.000 3.502 210 K HA 0.205 4.515 4.320 -0.017 0.000 0.163 210 K C 1.786 178.307 176.600 -0.130 0.000 1.142 210 K CA 0.218 56.439 56.287 -0.110 0.000 1.539 210 K CB -0.801 31.640 32.500 -0.098 0.000 2.125 210 K HN 0.166 nan 8.250 nan 0.000 0.491 211 Y N 1.838 122.156 120.300 0.030 0.000 2.263 211 Y HA -0.020 4.520 4.550 -0.018 0.000 0.292 211 Y C 2.436 178.366 175.900 0.051 0.000 1.130 211 Y CA 0.774 58.885 58.100 0.018 0.000 1.179 211 Y CB -0.615 37.847 38.460 0.003 0.000 0.998 211 Y HN 0.140 nan 8.280 nan 0.000 0.532 212 L N -0.113 121.231 121.223 0.202 0.000 1.990 212 L HA -0.323 4.007 4.340 -0.017 0.000 0.213 212 L C 2.214 179.158 176.870 0.123 0.000 1.072 212 L CA 2.305 57.222 54.840 0.127 0.000 0.755 212 L CB -0.621 41.492 42.059 0.091 0.000 0.889 212 L HN 0.309 nan 8.230 nan 0.000 0.432 213 N N -0.626 118.141 118.700 0.112 0.000 2.207 213 N HA -0.077 4.653 4.740 -0.017 0.000 0.182 213 N C 1.338 176.969 175.510 0.203 0.000 1.020 213 N CA 1.493 54.607 53.050 0.106 0.000 0.858 213 N CB 0.199 38.725 38.487 0.065 0.000 0.991 213 N HN 0.331 nan 8.380 nan 0.000 0.427 214 G N -1.305 107.563 108.800 0.113 0.000 2.184 214 G HA2 -0.294 3.656 3.960 -0.017 0.000 0.264 214 G HA3 -0.294 3.656 3.960 -0.017 0.000 0.264 214 G C 0.333 175.140 174.900 -0.155 0.000 0.975 214 G CA 0.942 46.054 45.100 0.020 0.000 0.642 214 G HN 0.618 nan 8.290 nan 0.000 0.536 215 H N -0.684 118.385 119.070 -0.001 0.000 3.078 215 H HA 0.478 5.024 4.556 -0.017 0.000 0.263 215 H C 1.507 176.828 175.328 -0.011 0.000 1.177 215 H CA 0.445 56.490 56.048 -0.005 0.000 1.128 215 H CB 0.764 30.522 29.762 -0.005 0.000 1.623 215 H HN 0.386 nan 8.280 nan 0.000 0.592 216 S N 1.079 116.815 115.700 0.059 0.000 3.635 216 S HA -0.185 4.275 4.470 -0.017 0.000 0.328 216 S C 0.339 174.964 174.600 0.040 0.000 1.135 216 S CA 1.261 59.476 58.200 0.026 0.000 0.942 216 S CB -1.125 62.075 63.200 0.001 0.000 0.930 216 S HN 0.856 nan 8.310 nan 0.000 0.512 217 D N -1.263 119.171 120.400 0.056 0.000 2.539 217 D HA 0.429 5.059 4.640 -0.017 0.000 0.232 217 D C 0.143 176.465 176.300 0.037 0.000 1.256 217 D CA -0.073 53.953 54.000 0.043 0.000 0.810 217 D CB -0.063 40.765 40.800 0.046 0.000 1.090 217 D HN 0.547 nan 8.370 nan 0.000 0.519 218 M N -1.554 118.071 119.600 0.042 0.000 2.644 218 M HA 0.656 5.126 4.480 -0.017 0.000 0.273 218 M C -1.945 174.389 176.300 0.056 0.000 1.253 218 M CA -1.187 54.140 55.300 0.046 0.000 0.852 218 M CB 2.084 34.710 32.600 0.043 0.000 1.708 218 M HN -0.281 nan 8.290 nan 0.000 0.471 219 V N 1.082 121.037 119.914 0.069 0.000 2.459 219 V HA 1.030 5.140 4.120 -0.017 0.000 0.295 219 V C 0.223 176.387 176.094 0.117 0.000 1.029 219 V CA 0.317 62.668 62.300 0.085 0.000 0.874 219 V CB 1.274 33.144 31.823 0.078 0.000 0.985 219 V HN 1.219 nan 8.190 nan 0.000 0.438 220 G N 2.255 111.142 108.800 0.144 0.000 2.547 220 G HA2 0.682 4.631 3.960 -0.017 0.000 0.291 220 G HA3 0.682 4.631 3.960 -0.017 0.000 0.291 220 G C -0.817 174.224 174.900 0.235 0.000 1.471 220 G CA 0.024 45.246 45.100 0.203 0.000 0.798 220 G HN 1.032 nan 8.290 nan 0.000 0.504 221 G N -0.947 108.036 108.800 0.306 0.000 2.658 221 G HA2 0.715 4.665 3.960 -0.017 0.000 0.292 221 G HA3 0.715 4.665 3.960 -0.017 0.000 0.292 221 G C -1.476 173.670 174.900 0.409 0.000 1.320 221 G CA -0.692 44.605 45.100 0.330 0.000 0.933 221 G HN 0.609 nan 8.290 nan 0.000 0.476 222 I N 0.165 120.973 120.570 0.397 0.000 2.722 222 I HA 0.634 4.794 4.170 -0.017 0.000 0.295 222 I C -0.364 176.005 176.117 0.421 0.000 1.161 222 I CA -0.794 60.724 61.300 0.364 0.000 1.032 222 I CB 1.841 39.958 38.000 0.195 0.000 1.244 222 I HN 0.711 nan 8.210 nan 0.000 0.421 223 A N 6.046 129.170 122.820 0.506 0.000 2.365 223 A HA 0.863 5.173 4.320 -0.017 0.000 0.318 223 A C -1.287 176.528 177.584 0.386 0.000 1.091 223 A CA -0.487 51.808 52.037 0.430 0.000 0.763 223 A CB 1.798 21.090 19.000 0.487 0.000 1.248 223 A HN 0.345 nan 8.150 nan 0.000 0.442 224 V N 2.161 122.230 119.914 0.259 0.000 2.588 224 V HA 0.644 4.754 4.120 -0.017 0.000 0.304 224 V C -0.182 176.013 176.094 0.168 0.000 1.042 224 V CA -0.604 61.795 62.300 0.166 0.000 0.877 224 V CB 1.445 33.328 31.823 0.100 0.000 0.996 224 V HN 1.182 nan 8.190 nan 0.000 0.425 225 V N 3.002 123.020 119.914 0.174 0.000 2.715 225 V HA 0.999 5.109 4.120 -0.017 0.000 0.310 225 V C 0.488 176.624 176.094 0.070 0.000 1.054 225 V CA 0.550 62.935 62.300 0.142 0.000 0.928 225 V CB 1.642 33.586 31.823 0.201 0.000 1.007 225 V HN 0.890 nan 8.190 nan 0.000 0.437 226 G N 2.959 111.788 108.800 0.048 0.000 3.229 226 G HA2 0.159 4.108 3.960 -0.017 0.000 0.165 226 G HA3 0.159 4.108 3.960 -0.017 0.000 0.165 226 G C -0.418 174.498 174.900 0.026 0.000 1.753 226 G CA 0.312 45.428 45.100 0.025 0.000 1.054 226 G HN 0.833 nan 8.290 nan 0.000 0.544 227 D N 0.106 120.517 120.400 0.018 0.000 2.631 227 D HA 0.194 4.824 4.640 -0.017 0.000 0.227 227 D C -0.375 175.937 176.300 0.019 0.000 1.146 227 D CA -0.147 53.862 54.000 0.015 0.000 1.009 227 D CB -0.932 39.872 40.800 0.007 0.000 1.057 227 D HN 0.348 nan 8.370 nan 0.000 0.509 228 N N 1.068 119.785 118.700 0.029 0.000 2.732 228 N HA 0.253 4.983 4.740 -0.017 0.000 0.247 228 N C 0.405 175.939 175.510 0.039 0.000 1.305 228 N CA -0.342 52.726 53.050 0.030 0.000 0.762 228 N CB 0.624 39.130 38.487 0.033 0.000 1.361 228 N HN 0.119 nan 8.380 nan 0.000 0.545 229 A N 1.726 124.564 122.820 0.029 0.000 2.121 229 A HA -0.156 4.154 4.320 -0.017 0.000 0.218 229 A C 1.805 179.410 177.584 0.035 0.000 1.154 229 A CA 1.241 53.298 52.037 0.033 0.000 0.679 229 A CB -0.253 18.758 19.000 0.019 0.000 0.795 229 A HN 0.833 nan 8.150 nan 0.000 0.458 230 E N -0.534 119.681 120.200 0.026 0.000 2.140 230 E HA -0.094 4.245 4.350 -0.017 0.000 0.191 230 E C 1.845 178.460 176.600 0.023 0.000 0.973 230 E CA 0.823 57.233 56.400 0.016 0.000 0.829 230 E CB -0.225 29.478 29.700 0.004 0.000 0.781 230 E HN 0.389 nan 8.360 nan 0.000 0.466 231 L N 1.505 122.748 121.223 0.033 0.000 2.046 231 L HA -0.017 4.312 4.340 -0.017 0.000 0.208 231 L C 2.391 179.295 176.870 0.057 0.000 1.077 231 L CA 2.152 57.015 54.840 0.038 0.000 0.747 231 L CB -0.734 41.351 42.059 0.044 0.000 0.896 231 L HN 0.208 nan 8.230 nan 0.000 0.432 232 A N -0.930 121.954 122.820 0.107 0.000 1.940 232 A HA -0.180 4.130 4.320 -0.017 0.000 0.219 232 A C 2.167 179.856 177.584 0.175 0.000 1.176 232 A CA 1.685 53.851 52.037 0.216 0.000 0.631 232 A CB -0.527 18.600 19.000 0.213 0.000 0.814 232 A HN 0.516 nan 8.150 nan 0.000 0.446 233 E N 0.027 120.286 120.200 0.097 0.000 2.047 233 E HA -0.186 4.154 4.350 -0.017 0.000 0.191 233 E C 2.229 178.866 176.600 0.061 0.000 0.987 233 E CA 1.401 57.846 56.400 0.077 0.000 0.799 233 E CB -0.511 29.215 29.700 0.042 0.000 0.752 233 E HN 0.800 nan 8.360 nan 0.000 0.449 234 Q N -0.316 119.501 119.800 0.028 0.000 2.096 234 Q HA -0.134 4.195 4.340 -0.017 0.000 0.204 234 Q C 2.154 178.162 176.000 0.015 0.000 0.982 234 Q CA 1.352 57.180 55.803 0.041 0.000 0.850 234 Q CB -0.123 28.626 28.738 0.018 0.000 0.901 234 Q HN 0.198 nan 8.270 nan 0.000 0.422 235 M N -0.166 119.348 119.600 -0.142 0.000 2.175 235 M HA -0.083 4.386 4.480 -0.017 0.000 0.264 235 M C 2.272 178.229 176.300 -0.572 0.000 1.063 235 M CA 1.417 56.459 55.300 -0.429 0.000 1.119 235 M CB -1.110 31.011 32.600 -0.798 0.000 1.377 235 M HN 0.275 nan 8.290 nan 0.000 0.415 236 A N -0.419 122.176 122.820 -0.375 0.000 1.902 236 A HA -0.199 4.111 4.320 -0.017 0.000 0.217 236 A C 2.131 179.741 177.584 0.043 0.000 1.181 236 A CA 1.381 53.396 52.037 -0.036 0.000 0.623 236 A CB -1.068 18.067 19.000 0.225 0.000 0.818 236 A HN 0.432 nan 8.150 nan 0.000 0.443 237 F N 0.609 120.529 119.950 -0.050 0.000 2.102 237 F HA -0.128 4.388 4.527 -0.017 0.000 0.298 237 F C 1.915 177.709 175.800 -0.010 0.000 1.105 237 F CA 1.758 59.748 58.000 -0.017 0.000 1.239 237 F CB -0.309 38.684 39.000 -0.011 0.000 0.991 237 F HN 0.138 nan 8.300 nan 0.000 0.474 238 L N 0.104 121.341 121.223 0.023 0.000 2.012 238 L HA -0.281 4.049 4.340 -0.017 0.000 0.210 238 L C 2.691 179.542 176.870 -0.031 0.000 1.073 238 L CA 1.869 56.682 54.840 -0.045 0.000 0.748 238 L CB -1.002 41.081 42.059 0.040 0.000 0.891 238 L HN 0.302 nan 8.230 nan 0.000 0.431 239 Q N 0.173 119.990 119.800 0.028 0.000 2.045 239 Q HA -0.284 4.046 4.340 -0.017 0.000 0.206 239 Q C 2.153 178.162 176.000 0.016 0.000 0.991 239 Q CA 2.056 57.931 55.803 0.121 0.000 0.851 239 Q CB -0.162 28.594 28.738 0.030 0.000 0.911 239 Q HN 0.475 nan 8.270 nan 0.000 0.418 240 N N -0.691 117.969 118.700 -0.068 0.000 2.188 240 N HA -0.088 4.642 4.740 -0.017 0.000 0.184 240 N C 1.599 177.015 175.510 -0.158 0.000 1.018 240 N CA 1.423 54.414 53.050 -0.100 0.000 0.858 240 N CB 0.097 38.520 38.487 -0.106 0.000 0.989 240 N HN 0.128 nan 8.380 nan 0.000 0.426 241 S N 0.624 116.146 115.700 -0.295 0.000 2.377 241 S HA 0.096 4.556 4.470 -0.017 0.000 0.223 241 S C 2.106 176.622 174.600 -0.141 0.000 1.030 241 S CA 0.437 58.452 58.200 -0.309 0.000 0.970 241 S CB 0.062 62.918 63.200 -0.572 0.000 0.830 241 S HN 0.278 nan 8.310 nan 0.000 0.473 242 I N 0.810 121.329 120.570 -0.085 0.000 2.286 242 I HA 0.055 4.215 4.170 -0.017 0.000 0.245 242 I C 1.959 178.095 176.117 0.032 0.000 1.104 242 I CA 0.977 62.273 61.300 -0.006 0.000 1.397 242 I CB -0.421 37.596 38.000 0.028 0.000 1.072 242 I HN 0.490 nan 8.210 nan 0.000 0.417 243 G N 0.483 109.318 108.800 0.058 0.000 2.141 243 G HA2 -0.193 3.757 3.960 -0.017 0.000 0.231 243 G HA3 -0.193 3.757 3.960 -0.017 0.000 0.231 243 G C 0.812 175.776 174.900 0.108 0.000 0.984 243 G CA -0.083 45.054 45.100 0.062 0.000 0.660 243 G HN 0.571 nan 8.290 nan 0.000 0.525 244 G N 0.571 109.482 108.800 0.186 0.000 3.452 244 G HA2 0.539 4.489 3.960 -0.017 0.000 0.258 244 G HA3 0.539 4.489 3.960 -0.017 0.000 0.258 244 G C 0.836 175.913 174.900 0.295 0.000 1.305 244 G CA 0.548 45.792 45.100 0.240 0.000 1.514 244 G HN 1.663 nan 8.290 nan 0.000 0.593 245 V N -2.170 117.831 119.914 0.145 0.000 2.924 245 V HA 0.394 4.504 4.120 -0.017 0.000 0.305 245 V C 0.298 176.452 176.094 0.099 0.000 1.073 245 V CA -1.201 61.128 62.300 0.049 0.000 1.098 245 V CB 1.214 33.041 31.823 0.006 0.000 1.000 245 V HN 0.288 nan 8.190 nan 0.000 0.484 246 Q N 2.540 122.395 119.800 0.093 0.000 2.332 246 Q HA 0.510 4.839 4.340 -0.017 0.000 0.263 246 Q C 0.432 176.498 176.000 0.111 0.000 0.979 246 Q CA 0.893 56.779 55.803 0.138 0.000 0.885 246 Q CB 0.819 29.679 28.738 0.203 0.000 1.218 246 Q HN 1.219 nan 8.270 nan 0.000 0.405 247 G N 3.748 112.622 108.800 0.122 0.000 2.651 247 G HA2 0.217 4.167 3.960 -0.017 0.000 0.260 247 G HA3 0.217 4.167 3.960 -0.017 0.000 0.260 247 G C -1.704 173.263 174.900 0.112 0.000 1.216 247 G CA -0.818 44.352 45.100 0.118 0.000 0.913 247 G HN 0.736 nan 8.290 nan 0.000 0.535 248 P HA -0.069 nan 4.420 nan 0.000 0.217 248 P C 1.480 178.788 177.300 0.014 0.000 1.151 248 P CA 1.022 64.120 63.100 -0.003 0.000 0.828 248 P CB 0.102 31.733 31.700 -0.114 0.000 0.788 249 F N 1.452 121.433 119.950 0.052 0.000 2.102 249 F HA -0.146 4.371 4.527 -0.017 0.000 0.298 249 F C 2.286 178.140 175.800 0.090 0.000 1.105 249 F CA 1.554 59.587 58.000 0.055 0.000 1.239 249 F CB -0.906 38.101 39.000 0.012 0.000 0.991 249 F HN -0.099 nan 8.300 nan 0.000 0.474 250 D N -0.567 119.995 120.400 0.269 0.000 2.149 250 D HA -0.111 4.518 4.640 -0.017 0.000 0.201 250 D C 2.328 178.627 176.300 -0.002 0.000 0.972 250 D CA 1.270 55.344 54.000 0.125 0.000 0.835 250 D CB -0.362 40.504 40.800 0.109 0.000 0.966 250 D HN 0.172 nan 8.370 nan 0.000 0.476 251 S N 0.653 116.363 115.700 0.017 0.000 2.359 251 S HA -0.167 4.293 4.470 -0.017 0.000 0.224 251 S C 1.684 176.142 174.600 -0.236 0.000 1.035 251 S CA 0.651 58.765 58.200 -0.143 0.000 1.018 251 S CB -0.427 62.845 63.200 0.119 0.000 0.876 251 S HN 0.261 nan 8.310 nan 0.000 0.448 252 F N 2.246 122.116 119.950 -0.133 0.000 2.069 252 F HA -0.125 4.392 4.527 -0.017 0.000 0.298 252 F C 1.935 177.655 175.800 -0.132 0.000 1.113 252 F CA 1.397 59.335 58.000 -0.104 0.000 1.214 252 F CB -0.447 38.520 39.000 -0.055 0.000 0.978 252 F HN 0.094 nan 8.300 nan 0.000 0.474 253 L N -0.175 121.053 121.223 0.010 0.000 2.042 253 L HA -0.272 4.058 4.340 -0.017 0.000 0.210 253 L C 2.751 179.470 176.870 -0.251 0.000 1.076 253 L CA 1.390 56.172 54.840 -0.096 0.000 0.749 253 L CB -1.188 40.886 42.059 0.026 0.000 0.893 253 L HN 0.313 nan 8.230 nan 0.000 0.432 254 A N -0.363 122.247 122.820 -0.350 0.000 1.897 254 A HA -0.187 4.123 4.320 -0.017 0.000 0.215 254 A C 2.149 179.470 177.584 -0.439 0.000 1.181 254 A CA 1.322 53.101 52.037 -0.429 0.000 0.620 254 A CB -0.574 18.002 19.000 -0.707 0.000 0.821 254 A HN 0.324 nan 8.150 nan 0.000 0.443 255 L N 0.051 120.932 121.223 -0.570 0.000 2.046 255 L HA -0.104 4.225 4.340 -0.017 0.000 0.208 255 L C 2.369 179.075 176.870 -0.274 0.000 1.077 255 L CA 2.281 56.951 54.840 -0.283 0.000 0.747 255 L CB -0.710 41.209 42.059 -0.233 0.000 0.896 255 L HN 0.454 nan 8.230 nan 0.000 0.432 256 R N -0.514 119.721 120.500 -0.441 0.000 2.096 256 R HA -0.181 4.149 4.340 -0.017 0.000 0.240 256 R C 2.159 178.328 176.300 -0.219 0.000 1.139 256 R CA 1.701 57.567 56.100 -0.390 0.000 0.952 256 R CB -0.933 29.059 30.300 -0.513 0.000 0.854 256 R HN 0.572 nan 8.270 nan 0.000 0.436 257 G N 1.208 109.909 108.800 -0.165 0.000 2.440 257 G HA2 -0.250 3.700 3.960 -0.017 0.000 0.218 257 G HA3 -0.250 3.700 3.960 -0.017 0.000 0.218 257 G C 1.301 176.222 174.900 0.034 0.000 1.154 257 G CA 0.469 45.567 45.100 -0.003 0.000 0.767 257 G HN 0.196 nan 8.290 nan 0.000 0.552 258 L N 0.847 122.071 121.223 0.001 0.000 2.103 258 L HA -0.154 4.176 4.340 -0.017 0.000 0.215 258 L C 2.741 179.610 176.870 -0.001 0.000 1.080 258 L CA 1.679 56.530 54.840 0.019 0.000 0.764 258 L CB -0.646 41.431 42.059 0.030 0.000 0.890 258 L HN 0.285 nan 8.230 nan 0.000 0.435 259 K N -1.299 119.079 120.400 -0.036 0.000 2.211 259 K HA -0.070 4.240 4.320 -0.017 0.000 0.203 259 K C 1.481 178.070 176.600 -0.018 0.000 1.050 259 K CA 1.585 57.842 56.287 -0.051 0.000 0.945 259 K CB -0.188 32.258 32.500 -0.090 0.000 0.732 259 K HN 0.539 nan 8.250 nan 0.000 0.451 260 T N -1.447 113.118 114.554 0.017 0.000 3.092 260 T HA 0.112 4.452 4.350 -0.017 0.000 0.258 260 T C 1.480 176.210 174.700 0.051 0.000 1.031 260 T CA -0.316 61.807 62.100 0.038 0.000 0.925 260 T CB 0.099 69.010 68.868 0.071 0.000 1.036 260 T HN -0.018 nan 8.240 nan 0.000 0.544 261 L N 2.184 123.440 121.223 0.054 0.000 2.042 261 L HA 0.145 4.475 4.340 -0.017 0.000 0.210 261 L C -0.969 175.929 176.870 0.047 0.000 1.076 261 L CA 1.830 56.712 54.840 0.070 0.000 0.749 261 L CB -0.972 41.127 42.059 0.066 0.000 0.893 261 L HN 0.096 nan 8.230 nan 0.000 0.432 262 P HA -0.171 nan 4.420 nan 0.000 0.215 262 P C 2.044 179.350 177.300 0.008 0.000 1.153 262 P CA 1.524 64.631 63.100 0.013 0.000 0.853 262 P CB -0.022 31.683 31.700 0.007 0.000 0.788 263 L N -1.251 119.975 121.223 0.005 0.000 2.093 263 L HA -0.115 4.215 4.340 -0.017 0.000 0.208 263 L C 2.607 179.460 176.870 -0.030 0.000 1.085 263 L CA 1.480 56.313 54.840 -0.011 0.000 0.755 263 L CB -0.567 41.485 42.059 -0.012 0.000 0.904 263 L HN -0.070 nan 8.230 nan 0.000 0.435 264 R N -0.748 119.744 120.500 -0.015 0.000 2.066 264 R HA -0.111 4.218 4.340 -0.017 0.000 0.232 264 R C 2.321 178.619 176.300 -0.004 0.000 1.131 264 R CA 1.118 57.177 56.100 -0.068 0.000 0.955 264 R CB -0.239 30.077 30.300 0.026 0.000 0.851 264 R HN 0.220 nan 8.270 nan 0.000 0.432 265 M N 0.392 120.063 119.600 0.119 0.000 2.086 265 M HA -0.157 4.313 4.480 -0.017 0.000 0.261 265 M C 2.246 178.581 176.300 0.059 0.000 1.067 265 M CA 1.559 56.931 55.300 0.120 0.000 1.116 265 M CB -0.955 31.652 32.600 0.011 0.000 1.348 265 M HN 0.107 nan 8.290 nan 0.000 0.407 266 R N 0.304 120.814 120.500 0.016 0.000 2.103 266 R HA -0.139 4.191 4.340 -0.017 0.000 0.242 266 R C 2.088 178.394 176.300 0.010 0.000 1.142 266 R CA 1.982 58.087 56.100 0.007 0.000 0.960 266 R CB -0.242 30.055 30.300 -0.005 0.000 0.858 266 R HN 0.329 nan 8.270 nan 0.000 0.439 267 A N -0.389 122.410 122.820 -0.035 0.000 1.968 267 A HA -0.119 4.191 4.320 -0.017 0.000 0.217 267 A C 1.755 179.324 177.584 -0.025 0.000 1.169 267 A CA 1.432 53.429 52.037 -0.065 0.000 0.638 267 A CB -0.625 18.287 19.000 -0.148 0.000 0.812 267 A HN 0.567 nan 8.150 nan 0.000 0.446 268 H N -1.271 117.819 119.070 0.033 0.000 2.293 268 H HA -0.155 4.390 4.556 -0.018 0.000 0.300 268 H C 2.336 177.710 175.328 0.076 0.000 1.082 268 H CA 1.663 57.748 56.048 0.062 0.000 1.308 268 H CB -0.230 29.579 29.762 0.078 0.000 1.375 268 H HN 0.528 nan 8.280 nan 0.000 0.495 269 C N 0.939 120.364 119.300 0.209 0.000 2.393 269 C HA -0.174 4.276 4.460 -0.017 0.000 0.276 269 C C 2.537 177.639 174.990 0.186 0.000 1.215 269 C CA 1.361 60.501 59.018 0.203 0.000 1.743 269 C CB -0.670 27.142 27.740 0.118 0.000 2.044 269 C HN 0.654 nan 8.230 nan 0.000 0.464 270 E N 0.638 120.909 120.200 0.118 0.000 2.051 270 E HA -0.201 4.139 4.350 -0.017 0.000 0.192 270 E C 1.798 178.442 176.600 0.073 0.000 0.991 270 E CA 1.309 57.764 56.400 0.093 0.000 0.799 270 E CB -0.462 29.270 29.700 0.054 0.000 0.748 270 E HN 0.709 nan 8.360 nan 0.000 0.449 271 N N 0.504 119.242 118.700 0.063 0.000 2.142 271 N HA -0.127 4.602 4.740 -0.017 0.000 0.186 271 N C 1.955 177.487 175.510 0.037 0.000 1.023 271 N CA 0.752 53.833 53.050 0.051 0.000 0.852 271 N CB -0.080 38.440 38.487 0.056 0.000 0.998 271 N HN 0.091 nan 8.380 nan 0.000 0.424 272 A N 1.141 123.970 122.820 0.016 0.000 1.902 272 A HA -0.110 4.199 4.320 -0.017 0.000 0.217 272 A C 2.109 179.412 177.584 -0.467 0.000 1.181 272 A CA 0.941 52.875 52.037 -0.172 0.000 0.623 272 A CB -0.618 18.312 19.000 -0.116 0.000 0.818 272 A HN 0.244 nan 8.150 nan 0.000 0.443 273 L N -0.299 120.766 121.223 -0.263 0.000 2.027 273 L HA -0.021 4.309 4.340 -0.017 0.000 0.206 273 L C 2.657 179.505 176.870 -0.037 0.000 1.074 273 L CA 2.241 57.013 54.840 -0.113 0.000 0.745 273 L CB -0.759 41.453 42.059 0.256 0.000 0.898 273 L HN 0.323 nan 8.230 nan 0.000 0.433 274 A N -0.707 122.123 122.820 0.017 0.000 1.898 274 A HA -0.109 4.201 4.320 -0.017 0.000 0.216 274 A C 2.253 179.898 177.584 0.102 0.000 1.181 274 A CA 1.755 53.827 52.037 0.059 0.000 0.620 274 A CB -0.803 18.226 19.000 0.048 0.000 0.819 274 A HN 0.488 nan 8.150 nan 0.000 0.442 275 L N -0.781 120.494 121.223 0.088 0.000 2.027 275 L HA -0.187 4.143 4.340 -0.017 0.000 0.206 275 L C 3.156 180.107 176.870 0.135 0.000 1.074 275 L CA 1.073 56.040 54.840 0.210 0.000 0.745 275 L CB -0.656 41.514 42.059 0.186 0.000 0.898 275 L HN 0.442 nan 8.230 nan 0.000 0.433 276 A N -0.146 122.630 122.820 -0.074 0.000 1.873 276 A HA -0.305 4.004 4.320 -0.017 0.000 0.218 276 A C 2.183 179.761 177.584 -0.011 0.000 1.193 276 A CA 1.970 53.942 52.037 -0.108 0.000 0.629 276 A CB -0.704 18.126 19.000 -0.283 0.000 0.826 276 A HN 0.489 nan 8.150 nan 0.000 0.447 277 Q N -1.998 117.822 119.800 0.034 0.000 2.096 277 Q HA -0.288 4.042 4.340 -0.017 0.000 0.208 277 Q C 1.938 178.007 176.000 0.116 0.000 0.993 277 Q CA 2.112 57.957 55.803 0.070 0.000 0.862 277 Q CB -0.380 28.410 28.738 0.087 0.000 0.915 277 Q HN 0.934 nan 8.270 nan 0.000 0.416 278 W N 0.989 122.284 121.300 -0.008 0.000 2.388 278 W HA -0.077 4.570 4.660 -0.023 0.000 0.294 278 W C 1.366 177.901 176.519 0.027 0.000 1.212 278 W CA 0.955 58.308 57.345 0.014 0.000 1.271 278 W CB -0.237 29.235 29.460 0.019 0.000 1.126 278 W HN 0.020 nan 8.180 nan 0.000 0.535 279 L N 0.648 121.652 121.223 -0.364 0.000 2.141 279 L HA -0.157 4.173 4.340 -0.017 0.000 0.209 279 L C 2.515 179.180 176.870 -0.341 0.000 1.094 279 L CA 1.714 56.185 54.840 -0.615 0.000 0.763 279 L CB -0.877 40.923 42.059 -0.432 0.000 0.908 279 L HN 0.034 nan 8.230 nan 0.000 0.437 280 E N -0.275 119.814 120.200 -0.185 0.000 2.209 280 E HA -0.222 4.118 4.350 -0.017 0.000 0.196 280 E C 1.732 178.261 176.600 -0.119 0.000 0.993 280 E CA 1.667 57.994 56.400 -0.121 0.000 0.819 280 E CB 0.139 29.801 29.700 -0.063 0.000 0.745 280 E HN 0.544 nan 8.360 nan 0.000 0.477 281 T N -2.449 112.025 114.554 -0.133 0.000 3.086 281 T HA 0.005 4.345 4.350 -0.017 0.000 0.250 281 T C 0.542 175.147 174.700 -0.159 0.000 1.074 281 T CA -0.390 61.647 62.100 -0.105 0.000 0.988 281 T CB 0.040 68.888 68.868 -0.034 0.000 0.988 281 T HN 0.055 nan 8.240 nan 0.000 0.530 282 H N 3.159 122.019 119.070 -0.350 0.000 2.767 282 H HA 0.188 4.745 4.556 0.001 0.000 0.316 282 H C -1.625 173.568 175.328 -0.225 0.000 1.059 282 H CA -1.713 54.116 56.048 -0.365 0.000 1.461 282 H CB 1.842 31.217 29.762 -0.644 0.000 1.475 282 H HN 0.042 nan 8.280 nan 0.000 0.531 283 P HA -0.098 nan 4.420 nan 0.000 0.223 283 P C 0.617 177.857 177.300 -0.099 0.000 1.144 283 P CA 1.059 64.021 63.100 -0.230 0.000 0.783 283 P CB 0.206 31.750 31.700 -0.260 0.000 0.771 284 A N -1.204 121.648 122.820 0.054 0.000 2.387 284 A HA 0.219 4.529 4.320 -0.017 0.000 0.234 284 A C 0.667 178.223 177.584 -0.047 0.000 1.253 284 A CA 0.097 52.165 52.037 0.052 0.000 0.894 284 A CB -0.141 18.931 19.000 0.120 0.000 0.963 284 A HN -0.003 nan 8.150 nan 0.000 0.508 285 I N 0.006 120.536 120.570 -0.067 0.000 2.433 285 I HA 0.309 4.469 4.170 -0.017 0.000 0.292 285 I C 0.896 176.941 176.117 -0.119 0.000 1.001 285 I CA -0.177 61.031 61.300 -0.154 0.000 1.119 285 I CB 1.691 39.559 38.000 -0.220 0.000 1.289 285 I HN 0.286 nan 8.210 nan 0.000 0.438 286 E N 5.422 125.552 120.200 -0.117 0.000 2.140 286 E HA 0.057 4.397 4.350 -0.017 0.000 0.191 286 E C 0.251 176.802 176.600 -0.083 0.000 0.973 286 E CA 1.182 57.530 56.400 -0.087 0.000 0.829 286 E CB 0.591 30.246 29.700 -0.075 0.000 0.781 286 E HN 0.550 nan 8.360 nan 0.000 0.466 287 K N -0.655 119.689 120.400 -0.095 0.000 2.557 287 K HA 0.386 4.696 4.320 -0.017 0.000 0.261 287 K C -1.868 174.680 176.600 -0.086 0.000 0.932 287 K CA -0.728 55.512 56.287 -0.078 0.000 0.829 287 K CB 1.877 34.340 32.500 -0.062 0.000 1.358 287 K HN -0.114 nan 8.250 nan 0.000 0.430 288 V N 5.011 124.887 119.914 -0.063 0.000 2.378 288 V HA 0.438 4.548 4.120 -0.017 0.000 0.288 288 V C -0.179 175.934 176.094 0.032 0.000 1.016 288 V CA -0.759 61.518 62.300 -0.038 0.000 0.840 288 V CB 1.248 33.039 31.823 -0.054 0.000 0.994 288 V HN 0.621 nan 8.190 nan 0.000 0.431 289 I N 5.807 126.421 120.570 0.073 0.000 2.297 289 I HA 0.438 4.598 4.170 -0.017 0.000 0.291 289 I C -0.962 175.336 176.117 0.301 0.000 1.033 289 I CA -0.364 61.035 61.300 0.164 0.000 1.253 289 I CB 0.495 38.572 38.000 0.128 0.000 1.396 289 I HN 0.599 nan 8.210 nan 0.000 0.476 290 Y N 8.886 129.293 120.300 0.178 0.000 2.358 290 Y HA 0.354 4.894 4.550 -0.017 0.000 0.324 290 Y C -2.376 173.529 175.900 0.009 0.000 1.123 290 Y CA -2.129 56.034 58.100 0.104 0.000 1.067 290 Y CB 2.245 40.735 38.460 0.051 0.000 1.230 290 Y HN 0.307 nan 8.280 nan 0.000 0.429 291 P HA -0.016 nan 4.420 nan 0.000 0.225 291 P C 1.210 178.077 177.300 -0.723 0.000 1.148 291 P CA 1.801 64.427 63.100 -0.790 0.000 0.779 291 P CB 0.314 31.698 31.700 -0.527 0.000 0.780 292 G N -1.317 106.872 108.800 -1.018 0.000 2.813 292 G HA2 0.057 4.006 3.960 -0.017 0.000 0.209 292 G HA3 0.057 4.006 3.960 -0.017 0.000 0.209 292 G C 0.349 174.965 174.900 -0.474 0.000 1.150 292 G CA -0.024 44.354 45.100 -1.203 0.000 0.785 292 G HN 0.218 nan 8.290 nan 0.000 0.535 293 L N 0.199 121.257 121.223 -0.275 0.000 2.357 293 L HA 0.467 4.797 4.340 -0.017 0.000 0.273 293 L C 1.787 178.295 176.870 -0.604 0.000 1.080 293 L CA -0.720 53.945 54.840 -0.293 0.000 0.803 293 L CB 1.729 43.761 42.059 -0.046 0.000 1.174 293 L HN 0.059 nan 8.230 nan 0.000 0.443 294 A N 1.244 123.698 122.820 -0.611 0.000 1.972 294 A HA -0.162 4.148 4.320 -0.017 0.000 0.219 294 A C 2.235 179.711 177.584 -0.180 0.000 1.169 294 A CA 1.807 53.543 52.037 -0.502 0.000 0.635 294 A CB -0.614 18.233 19.000 -0.255 0.000 0.810 294 A HN 0.874 nan 8.150 nan 0.000 0.446 295 S N -0.798 114.833 115.700 -0.115 0.000 2.469 295 S HA -0.131 4.329 4.470 -0.017 0.000 0.238 295 S C 0.941 175.543 174.600 0.003 0.000 0.998 295 S CA 0.404 58.579 58.200 -0.043 0.000 0.957 295 S CB -0.688 62.488 63.200 -0.040 0.000 0.764 295 S HN 0.656 nan 8.310 nan 0.000 0.514 296 H N 3.989 123.018 119.070 -0.068 0.000 2.803 296 H HA 0.180 4.725 4.556 -0.018 0.000 0.330 296 H C -1.863 173.476 175.328 0.019 0.000 1.057 296 H CA -1.301 54.738 56.048 -0.015 0.000 1.458 296 H CB 1.454 31.208 29.762 -0.013 0.000 1.470 296 H HN 0.123 nan 8.280 nan 0.000 0.560 297 P HA -0.023 nan 4.420 nan 0.000 0.242 297 P C -0.028 177.371 177.300 0.165 0.000 1.197 297 P CA 0.789 63.905 63.100 0.026 0.000 0.765 297 P CB 0.340 31.998 31.700 -0.070 0.000 0.936 298 Q N -1.740 118.318 119.800 0.430 0.000 2.115 298 Q HA 0.083 4.413 4.340 -0.017 0.000 0.249 298 Q C 1.062 177.165 176.000 0.172 0.000 0.830 298 Q CA -0.264 55.700 55.803 0.269 0.000 1.104 298 Q CB -0.036 28.851 28.738 0.249 0.000 1.207 298 Q HN 0.199 nan 8.270 nan 0.000 0.464 299 H N 0.506 119.640 119.070 0.107 0.000 2.353 299 H HA -0.158 4.389 4.556 -0.015 0.000 0.298 299 H C 1.664 176.986 175.328 -0.011 0.000 1.103 299 H CA 2.132 58.156 56.048 -0.041 0.000 1.293 299 H CB 0.183 29.915 29.762 -0.050 0.000 1.372 299 H HN 0.110 nan 8.280 nan 0.000 0.501 300 V N 0.242 120.123 119.914 -0.055 0.000 2.295 300 V HA -0.220 3.890 4.120 -0.017 0.000 0.246 300 V C 2.615 178.668 176.094 -0.068 0.000 1.049 300 V CA 1.599 63.852 62.300 -0.078 0.000 1.024 300 V CB -0.819 31.006 31.823 0.004 0.000 0.648 300 V HN 0.384 nan 8.190 nan 0.000 0.447 301 L N 1.009 122.216 121.223 -0.026 0.000 2.042 301 L HA -0.130 4.200 4.340 -0.017 0.000 0.210 301 L C 2.438 179.290 176.870 -0.030 0.000 1.076 301 L CA 2.415 57.245 54.840 -0.017 0.000 0.749 301 L CB -1.067 40.997 42.059 0.008 0.000 0.893 301 L HN 0.234 nan 8.230 nan 0.000 0.432 302 A N -0.566 122.224 122.820 -0.049 0.000 1.877 302 A HA -0.227 4.083 4.320 -0.017 0.000 0.216 302 A C 2.302 179.952 177.584 0.110 0.000 1.186 302 A CA 1.957 54.005 52.037 0.019 0.000 0.620 302 A CB -0.522 18.463 19.000 -0.024 0.000 0.822 302 A HN 0.514 nan 8.150 nan 0.000 0.443 303 K N -0.791 119.619 120.400 0.018 0.000 2.063 303 K HA -0.195 4.115 4.320 -0.017 0.000 0.208 303 K C 2.374 178.964 176.600 -0.016 0.000 1.048 303 K CA 1.625 57.938 56.287 0.043 0.000 0.928 303 K CB -0.227 32.225 32.500 -0.079 0.000 0.713 303 K HN 0.545 nan 8.250 nan 0.000 0.442 304 R N 1.387 121.868 120.500 -0.031 0.000 2.075 304 R HA -0.157 4.173 4.340 -0.017 0.000 0.232 304 R C 2.229 178.508 176.300 -0.036 0.000 1.126 304 R CA 1.638 57.721 56.100 -0.029 0.000 0.963 304 R CB 0.026 30.313 30.300 -0.021 0.000 0.858 304 R HN 0.207 nan 8.270 nan 0.000 0.435 305 Q N -0.650 119.127 119.800 -0.038 0.000 2.373 305 Q HA 0.150 4.479 4.340 -0.017 0.000 0.210 305 Q C -0.159 175.802 176.000 -0.064 0.000 0.913 305 Q CA 0.274 56.051 55.803 -0.043 0.000 0.911 305 Q CB 0.472 29.190 28.738 -0.033 0.000 1.040 305 Q HN 0.248 nan 8.270 nan 0.000 0.521 306 M N 0.120 119.664 119.600 -0.093 0.000 2.456 306 M HA 0.234 4.704 4.480 -0.017 0.000 0.324 306 M C 0.435 176.591 176.300 -0.240 0.000 1.124 306 M CA -0.472 54.736 55.300 -0.152 0.000 0.959 306 M CB 2.118 34.618 32.600 -0.167 0.000 1.692 306 M HN 0.001 nan 8.290 nan 0.000 0.444 307 S N -0.191 115.374 115.700 -0.226 0.000 2.575 307 S HA 0.397 4.857 4.470 -0.017 0.000 0.215 307 S C 0.468 174.850 174.600 -0.362 0.000 0.966 307 S CA 0.044 58.097 58.200 -0.246 0.000 0.911 307 S CB -0.059 63.054 63.200 -0.144 0.000 0.780 307 S HN 0.937 nan 8.310 nan 0.000 0.514 308 G N -0.081 108.428 108.800 -0.484 0.000 2.646 308 G HA2 0.540 4.490 3.960 -0.017 0.000 0.291 308 G HA3 0.540 4.490 3.960 -0.017 0.000 0.291 308 G C -0.786 173.742 174.900 -0.619 0.000 1.445 308 G CA -0.863 43.869 45.100 -0.614 0.000 0.814 308 G HN 0.124 nan 8.290 nan 0.000 0.495 309 F N 1.026 120.949 119.950 -0.045 0.000 2.641 309 F HA 0.526 5.044 4.527 -0.016 0.000 0.302 309 F C 1.514 177.187 175.800 -0.213 0.000 1.098 309 F CA 0.075 57.938 58.000 -0.229 0.000 1.318 309 F CB 0.376 39.090 39.000 -0.478 0.000 1.035 309 F HN 1.088 nan 8.300 nan 0.000 0.551 310 G N 0.072 108.933 108.800 0.101 0.000 2.661 310 G HA2 0.058 4.008 3.960 -0.017 0.000 0.685 310 G HA3 0.058 4.008 3.960 -0.017 0.000 0.685 310 G C 0.666 175.715 174.900 0.249 0.000 1.298 310 G CA -0.613 44.532 45.100 0.076 0.000 0.855 310 G HN 0.445 nan 8.290 nan 0.000 0.560 311 G N -0.933 107.915 108.800 0.080 0.000 3.088 311 G HA2 0.448 4.398 3.960 -0.017 0.000 0.217 311 G HA3 0.448 4.398 3.960 -0.017 0.000 0.217 311 G C 0.644 175.653 174.900 0.181 0.000 1.159 311 G CA 0.349 45.547 45.100 0.163 0.000 0.760 311 G HN 0.690 nan 8.290 nan 0.000 0.550 312 I N 1.915 122.593 120.570 0.180 0.000 2.336 312 I HA 0.362 4.522 4.170 -0.017 0.000 0.292 312 I C -0.612 175.670 176.117 0.275 0.000 0.991 312 I CA -0.849 60.531 61.300 0.134 0.000 1.227 312 I CB 1.322 39.305 38.000 -0.028 0.000 1.366 312 I HN -0.296 nan 8.210 nan 0.000 0.466 313 V N 5.306 125.327 119.914 0.177 0.000 2.444 313 V HA 0.348 4.457 4.120 -0.017 0.000 0.294 313 V C 0.203 176.358 176.094 0.102 0.000 1.022 313 V CA -0.505 61.890 62.300 0.158 0.000 0.850 313 V CB 1.895 33.722 31.823 0.008 0.000 0.992 313 V HN 0.769 nan 8.190 nan 0.000 0.426 314 S N 5.856 121.627 115.700 0.120 0.000 2.442 314 S HA 0.728 5.188 4.470 -0.017 0.000 0.297 314 S C -0.238 174.359 174.600 -0.006 0.000 1.131 314 S CA -0.427 57.809 58.200 0.061 0.000 1.092 314 S CB 0.771 64.029 63.200 0.097 0.000 0.998 314 S HN 0.683 nan 8.310 nan 0.000 0.478 315 I N 0.186 120.706 120.570 -0.084 0.000 2.646 315 I HA 0.765 4.925 4.170 -0.017 0.000 0.299 315 I C -1.012 175.002 176.117 -0.171 0.000 1.036 315 I CA -1.183 60.021 61.300 -0.159 0.000 1.074 315 I CB 1.782 39.614 38.000 -0.280 0.000 1.258 315 I HN 0.187 nan 8.210 nan 0.000 0.430 316 V N 5.938 125.758 119.914 -0.157 0.000 2.347 316 V HA 0.348 4.457 4.120 -0.017 0.000 0.280 316 V C 0.092 176.078 176.094 -0.179 0.000 1.021 316 V CA -0.495 61.721 62.300 -0.140 0.000 0.847 316 V CB 1.077 32.849 31.823 -0.085 0.000 0.990 316 V HN 0.509 nan 8.190 nan 0.000 0.444 317 L N 5.036 126.133 121.223 -0.210 0.000 2.380 317 L HA 0.309 4.639 4.340 -0.017 0.000 0.273 317 L C 1.590 178.386 176.870 -0.124 0.000 1.138 317 L CA 0.504 55.216 54.840 -0.214 0.000 0.832 317 L CB 0.485 42.384 42.059 -0.267 0.000 1.124 317 L HN 0.545 nan 8.230 nan 0.000 0.454 318 K N 2.307 122.645 120.400 -0.104 0.000 2.147 318 K HA -0.080 4.229 4.320 -0.017 0.000 0.205 318 K C 1.452 178.028 176.600 -0.041 0.000 1.049 318 K CA 1.241 57.490 56.287 -0.064 0.000 0.936 318 K CB -0.095 32.371 32.500 -0.056 0.000 0.722 318 K HN 0.915 nan 8.250 nan 0.000 0.446 319 G N 0.641 109.416 108.800 -0.042 0.000 3.262 319 G HA2 0.294 4.244 3.960 -0.017 0.000 0.228 319 G HA3 0.294 4.244 3.960 -0.017 0.000 0.228 319 G C 0.505 175.411 174.900 0.009 0.000 1.197 319 G CA 0.269 45.361 45.100 -0.014 0.000 0.819 319 G HN 0.459 nan 8.290 nan 0.000 0.531 320 G N -0.261 108.542 108.800 0.005 0.000 2.642 320 G HA2 -0.264 3.686 3.960 -0.017 0.000 0.231 320 G HA3 -0.264 3.686 3.960 -0.017 0.000 0.231 320 G C 0.633 175.588 174.900 0.091 0.000 1.338 320 G CA 0.100 45.235 45.100 0.059 0.000 0.883 320 G HN 0.589 nan 8.290 nan 0.000 0.570 321 F N 0.778 120.752 119.950 0.040 0.000 2.065 321 F HA -0.122 4.394 4.527 -0.017 0.000 0.298 321 F C 2.438 178.294 175.800 0.093 0.000 1.112 321 F CA 2.882 60.945 58.000 0.105 0.000 1.212 321 F CB -0.207 38.852 39.000 0.098 0.000 0.975 321 F HN 0.534 nan 8.300 nan 0.000 0.476 322 D N 0.068 120.636 120.400 0.280 0.000 2.123 322 D HA -0.187 4.443 4.640 -0.017 0.000 0.196 322 D C 2.265 178.565 176.300 -0.001 0.000 0.992 322 D CA 1.394 55.481 54.000 0.146 0.000 0.833 322 D CB -0.186 40.720 40.800 0.176 0.000 0.954 322 D HN 0.422 nan 8.370 nan 0.000 0.455 323 A N 0.953 123.765 122.820 -0.012 0.000 1.930 323 A HA -0.011 4.299 4.320 -0.017 0.000 0.217 323 A C 2.342 179.866 177.584 -0.099 0.000 1.175 323 A CA 1.892 53.905 52.037 -0.041 0.000 0.627 323 A CB -0.543 18.430 19.000 -0.045 0.000 0.815 323 A HN 0.267 nan 8.150 nan 0.000 0.443 324 A N -0.068 122.624 122.820 -0.214 0.000 1.908 324 A HA -0.194 4.115 4.320 -0.017 0.000 0.218 324 A C 2.154 179.537 177.584 -0.335 0.000 1.181 324 A CA 2.026 53.833 52.037 -0.384 0.000 0.627 324 A CB -0.446 18.136 19.000 -0.696 0.000 0.818 324 A HN 0.542 nan 8.150 nan 0.000 0.445 325 K N -1.156 119.050 120.400 -0.324 0.000 2.057 325 K HA -0.122 4.187 4.320 -0.017 0.000 0.206 325 K C 2.307 178.871 176.600 -0.060 0.000 1.050 325 K CA 0.854 57.034 56.287 -0.179 0.000 0.935 325 K CB -0.124 32.221 32.500 -0.260 0.000 0.715 325 K HN 0.214 nan 8.250 nan 0.000 0.439 326 R N 0.149 120.631 120.500 -0.030 0.000 2.066 326 R HA -0.116 4.214 4.340 -0.017 0.000 0.232 326 R C 2.209 178.523 176.300 0.023 0.000 1.131 326 R CA 1.253 57.358 56.100 0.008 0.000 0.955 326 R CB -0.893 29.422 30.300 0.025 0.000 0.851 326 R HN 0.291 nan 8.270 nan 0.000 0.432 327 F N 1.055 120.939 119.950 -0.110 0.000 2.087 327 F HA -0.316 4.201 4.527 -0.017 0.000 0.299 327 F C 2.293 178.030 175.800 -0.105 0.000 1.100 327 F CA 1.593 59.522 58.000 -0.118 0.000 1.226 327 F CB -0.564 38.336 39.000 -0.168 0.000 0.983 327 F HN -0.039 nan 8.300 nan 0.000 0.479 328 C N 0.432 119.638 119.300 -0.158 0.000 2.432 328 C HA -0.113 4.337 4.460 -0.017 0.000 0.280 328 C C 2.562 177.437 174.990 -0.191 0.000 1.353 328 C CA 1.239 60.115 59.018 -0.238 0.000 1.766 328 C CB -1.365 26.348 27.740 -0.046 0.000 1.924 328 C HN 0.559 nan 8.230 nan 0.000 0.509 329 E N 0.113 120.238 120.200 -0.124 0.000 2.299 329 E HA -0.083 4.257 4.350 -0.017 0.000 0.193 329 E C 1.902 178.445 176.600 -0.095 0.000 0.998 329 E CA 0.677 57.030 56.400 -0.078 0.000 0.851 329 E CB 0.105 29.784 29.700 -0.035 0.000 0.795 329 E HN 0.551 nan 8.360 nan 0.000 0.492 330 K N 0.323 120.637 120.400 -0.143 0.000 2.367 330 K HA 0.035 4.345 4.320 -0.017 0.000 0.194 330 K C 0.127 176.635 176.600 -0.153 0.000 1.027 330 K CA 0.211 56.426 56.287 -0.120 0.000 1.075 330 K CB 0.727 33.181 32.500 -0.076 0.000 0.845 330 K HN 0.071 nan 8.250 nan 0.000 0.529 331 T N -0.774 113.628 114.554 -0.253 0.000 2.884 331 T HA 0.135 4.475 4.350 -0.017 0.000 0.298 331 T C 0.630 175.293 174.700 -0.061 0.000 0.998 331 T CA -0.382 61.609 62.100 -0.182 0.000 1.124 331 T CB 1.387 70.115 68.868 -0.234 0.000 0.931 331 T HN 0.114 nan 8.240 nan 0.000 0.531 332 E N 1.059 121.254 120.200 -0.008 0.000 2.330 332 E HA 0.108 4.448 4.350 -0.017 0.000 0.200 332 E C 1.453 178.049 176.600 -0.008 0.000 0.922 332 E CA -0.159 56.236 56.400 -0.009 0.000 0.935 332 E CB 0.025 29.718 29.700 -0.013 0.000 0.917 332 E HN 0.313 nan 8.360 nan 0.000 0.491 333 L N 0.225 121.449 121.223 0.002 0.000 2.209 333 L HA 0.110 4.439 4.340 -0.017 0.000 0.207 333 L C 0.304 177.064 176.870 -0.184 0.000 1.094 333 L CA 1.093 55.877 54.840 -0.093 0.000 0.790 333 L CB -0.296 41.679 42.059 -0.139 0.000 0.932 333 L HN 0.006 nan 8.230 nan 0.000 0.447 334 F N 0.028 119.942 119.950 -0.059 0.000 2.421 334 F HA 0.237 4.754 4.527 -0.016 0.000 0.358 334 F C 0.882 176.640 175.800 -0.071 0.000 1.115 334 F CA -0.288 57.678 58.000 -0.057 0.000 1.160 334 F CB 0.371 39.328 39.000 -0.072 0.000 1.123 334 F HN -0.234 nan 8.300 nan 0.000 0.508 335 T N 5.210 119.809 114.554 0.075 0.000 2.806 335 T HA 0.267 4.607 4.350 -0.017 0.000 0.290 335 T C -0.349 174.381 174.700 0.051 0.000 0.966 335 T CA -0.523 61.598 62.100 0.035 0.000 1.060 335 T CB 1.008 69.878 68.868 0.004 0.000 0.927 335 T HN 0.248 nan 8.240 nan 0.000 0.485 336 L N 3.866 125.106 121.223 0.029 0.000 2.433 336 L HA 0.551 4.881 4.340 -0.017 0.000 0.275 336 L C 0.091 176.982 176.870 0.035 0.000 1.128 336 L CA 0.530 55.389 54.840 0.032 0.000 0.875 336 L CB -1.049 41.019 42.059 0.015 0.000 1.171 336 L HN 0.922 nan 8.230 nan 0.000 0.463 337 A N 4.171 127.019 122.820 0.047 0.000 2.566 337 A HA 0.496 4.806 4.320 -0.017 0.000 0.290 337 A C 0.261 177.877 177.584 0.053 0.000 1.071 337 A CA -0.414 51.648 52.037 0.041 0.000 0.658 337 A CB 0.590 19.608 19.000 0.030 0.000 1.285 337 A HN 0.532 nan 8.150 nan 0.000 0.427 338 E N 0.210 120.441 120.200 0.051 0.000 2.122 338 E HA 0.112 4.451 4.350 -0.017 0.000 0.190 338 E C 1.197 177.844 176.600 0.078 0.000 0.977 338 E CA 1.418 57.858 56.400 0.067 0.000 0.820 338 E CB 0.174 29.911 29.700 0.063 0.000 0.770 338 E HN 0.603 nan 8.360 nan 0.000 0.462 339 S N -1.187 114.545 115.700 0.054 0.000 2.652 339 S HA 0.576 5.036 4.470 -0.017 0.000 0.267 339 S C -0.470 174.128 174.600 -0.004 0.000 1.201 339 S CA -0.403 57.819 58.200 0.036 0.000 0.996 339 S CB 0.193 63.400 63.200 0.011 0.000 1.054 339 S HN 0.190 nan 8.310 nan 0.000 0.561 340 L N -2.980 118.195 121.223 -0.079 0.000 2.720 340 L HA 0.846 5.176 4.340 -0.017 0.000 0.261 340 L C 0.299 176.909 176.870 -0.433 0.000 1.046 340 L CA -0.113 54.603 54.840 -0.205 0.000 0.886 340 L CB 0.943 42.873 42.059 -0.214 0.000 1.493 340 L HN 0.858 nan 8.230 nan 0.000 0.407 341 G N -0.982 107.386 108.800 -0.721 0.000 2.132 341 G HA2 0.065 4.015 3.960 -0.017 0.000 0.234 341 G HA3 0.065 4.015 3.960 -0.017 0.000 0.234 341 G C 0.299 174.780 174.900 -0.697 0.000 0.989 341 G CA 0.019 44.215 45.100 -1.507 0.000 0.676 341 G HN 1.363 nan 8.290 nan 0.000 0.522 342 G N -1.481 107.120 108.800 -0.331 0.000 2.477 342 G HA2 0.578 4.528 3.960 -0.017 0.000 0.304 342 G HA3 0.578 4.528 3.960 -0.017 0.000 0.304 342 G C 1.087 175.982 174.900 -0.007 0.000 1.175 342 G CA 0.312 45.322 45.100 -0.151 0.000 0.907 342 G HN 0.735 nan 8.290 nan 0.000 0.509 343 V N 0.222 120.097 119.914 -0.066 0.000 2.490 343 V HA -0.031 4.079 4.120 -0.017 0.000 0.250 343 V C 1.462 177.515 176.094 -0.068 0.000 1.061 343 V CA 1.959 64.210 62.300 -0.082 0.000 1.064 343 V CB -0.353 31.290 31.823 -0.300 0.000 0.670 343 V HN 0.787 nan 8.190 nan 0.000 0.461 344 E N 0.528 120.680 120.200 -0.080 0.000 2.301 344 E HA 0.169 4.509 4.350 -0.017 0.000 0.275 344 E C -0.337 176.192 176.600 -0.117 0.000 1.030 344 E CA -0.186 56.151 56.400 -0.104 0.000 0.852 344 E CB 1.316 30.965 29.700 -0.086 0.000 1.060 344 E HN 0.187 nan 8.360 nan 0.000 0.401 345 S N 2.462 118.022 115.700 -0.233 0.000 2.533 345 S HA 0.273 4.733 4.470 -0.017 0.000 0.282 345 S C 0.160 174.695 174.600 -0.108 0.000 1.304 345 S CA -0.351 57.650 58.200 -0.332 0.000 1.063 345 S CB 0.029 62.545 63.200 -1.141 0.000 0.881 345 S HN 0.365 nan 8.310 nan 0.000 0.493 346 L N 2.948 124.229 121.223 0.096 0.000 2.341 346 L HA 0.811 5.140 4.340 -0.017 0.000 0.267 346 L C -0.466 176.585 176.870 0.301 0.000 1.009 346 L CA -0.854 54.080 54.840 0.156 0.000 0.819 346 L CB 1.838 43.931 42.059 0.057 0.000 1.323 346 L HN 0.373 nan 8.230 nan 0.000 0.425 347 V N 1.555 121.593 119.914 0.207 0.000 2.789 347 V HA 0.606 4.716 4.120 -0.017 0.000 0.311 347 V C -1.491 174.665 176.094 0.105 0.000 1.073 347 V CA -0.265 62.123 62.300 0.148 0.000 0.921 347 V CB 2.351 34.224 31.823 0.084 0.000 1.009 347 V HN 0.874 nan 8.190 nan 0.000 0.426 348 N N 2.413 121.177 118.700 0.108 0.000 2.249 348 N HA 0.436 5.166 4.740 -0.017 0.000 0.296 348 N C -1.362 174.239 175.510 0.150 0.000 1.051 348 N CA -0.509 52.611 53.050 0.116 0.000 0.815 348 N CB 1.690 40.245 38.487 0.113 0.000 1.487 348 N HN 0.874 nan 8.380 nan 0.000 0.475 349 H N 4.348 123.436 119.070 0.030 0.000 2.700 349 H HA 0.325 4.871 4.556 -0.016 0.000 0.269 349 H C -1.814 173.527 175.328 0.021 0.000 1.222 349 H CA -2.467 53.586 56.048 0.008 0.000 1.254 349 H CB 1.225 30.964 29.762 -0.039 0.000 1.413 349 H HN 0.526 nan 8.280 nan 0.000 0.507 350 P HA -0.137 nan 4.420 nan 0.000 0.220 350 P C 1.351 178.650 177.300 -0.002 0.000 1.148 350 P CA 1.222 64.369 63.100 0.078 0.000 0.803 350 P CB 0.233 31.984 31.700 0.085 0.000 0.782 351 A N -0.297 122.503 122.820 -0.035 0.000 1.859 351 A HA -0.215 4.095 4.320 -0.017 0.000 0.217 351 A C 2.357 179.857 177.584 -0.140 0.000 1.198 351 A CA 2.394 54.375 52.037 -0.093 0.000 0.629 351 A CB -1.715 17.259 19.000 -0.044 0.000 0.830 351 A HN 0.058 nan 8.150 nan 0.000 0.446 352 V N -0.489 119.234 119.914 -0.319 0.000 2.255 352 V HA -0.224 3.886 4.120 -0.017 0.000 0.243 352 V C 2.322 178.381 176.094 -0.060 0.000 1.038 352 V CA 2.147 64.367 62.300 -0.134 0.000 1.008 352 V CB -0.699 31.039 31.823 -0.141 0.000 0.645 352 V HN 0.570 nan 8.190 nan 0.000 0.449 353 M N -0.218 119.357 119.600 -0.043 0.000 2.129 353 M HA 0.129 4.599 4.480 -0.017 0.000 0.196 353 M C 1.396 177.694 176.300 -0.003 0.000 1.466 353 M CA 0.850 56.150 55.300 -0.001 0.000 1.553 353 M CB -0.688 31.930 32.600 0.031 0.000 0.949 353 M HN 0.368 nan 8.290 nan 0.000 0.738 365 Q N 1.503 121.208 119.800 -0.158 0.000 2.115 365 Q HA 0.378 4.708 4.340 -0.017 0.000 0.249 365 Q C -0.637 175.292 176.000 -0.118 0.000 0.830 365 Q CA -0.135 55.598 55.803 -0.117 0.000 1.104 365 Q CB 0.474 29.151 28.738 -0.101 0.000 1.207 365 Q HN 0.202 nan 8.270 nan 0.000 0.464 366 L N 0.446 121.589 121.223 -0.132 0.000 2.325 366 L HA 0.541 4.871 4.340 -0.017 0.000 0.279 366 L C 1.171 178.003 176.870 -0.062 0.000 1.054 366 L CA -0.662 54.115 54.840 -0.104 0.000 0.804 366 L CB 1.143 43.125 42.059 -0.128 0.000 1.200 366 L HN 0.236 nan 8.230 nan 0.000 0.436 367 G N 3.241 112.017 108.800 -0.040 0.000 3.352 367 G HA2 0.181 4.130 3.960 -0.017 0.000 0.236 367 G HA3 0.181 4.130 3.960 -0.017 0.000 0.236 367 G C 0.293 175.185 174.900 -0.014 0.000 1.324 367 G CA -0.172 44.914 45.100 -0.024 0.000 1.404 367 G HN 0.422 nan 8.290 nan 0.000 0.542 368 I N 1.080 121.642 120.570 -0.014 0.000 2.337 368 I HA 0.113 4.273 4.170 -0.017 0.000 0.291 368 I C 0.968 177.099 176.117 0.024 0.000 1.046 368 I CA -0.199 61.105 61.300 0.006 0.000 1.324 368 I CB 1.436 39.441 38.000 0.008 0.000 1.409 368 I HN 0.051 nan 8.210 nan 0.000 0.494 369 S N 3.829 119.549 115.700 0.032 0.000 2.568 369 S HA 0.005 4.465 4.470 -0.017 0.000 0.282 369 S C 0.935 175.598 174.600 0.104 0.000 1.338 369 S CA -0.396 57.834 58.200 0.049 0.000 1.045 369 S CB 0.513 63.729 63.200 0.028 0.000 0.873 369 S HN 0.571 nan 8.310 nan 0.000 0.516 370 D N 3.199 123.688 120.400 0.149 0.000 2.317 370 D HA 0.103 4.732 4.640 -0.017 0.000 0.211 370 D C 1.679 178.164 176.300 0.308 0.000 0.966 370 D CA 1.026 55.206 54.000 0.300 0.000 0.876 370 D CB -0.215 40.807 40.800 0.370 0.000 0.927 370 D HN 0.594 nan 8.370 nan 0.000 0.519 371 A N 0.142 123.039 122.820 0.129 0.000 2.208 371 A HA 0.110 4.419 4.320 -0.017 0.000 0.209 371 A C 1.020 178.551 177.584 -0.088 0.000 1.161 371 A CA -0.176 51.863 52.037 0.002 0.000 0.782 371 A CB -0.276 18.718 19.000 -0.011 0.000 0.816 371 A HN 0.254 nan 8.150 nan 0.000 0.477 372 L N 0.847 122.058 121.223 -0.020 0.000 2.349 372 L HA 0.505 4.835 4.340 -0.017 0.000 0.275 372 L C -1.080 175.745 176.870 -0.074 0.000 1.115 372 L CA -0.293 54.521 54.840 -0.044 0.000 0.820 372 L CB 1.447 43.516 42.059 0.016 0.000 1.135 372 L HN -0.006 nan 8.230 nan 0.000 0.445 373 V N 5.638 125.481 119.914 -0.119 0.000 2.540 373 V HA 0.455 4.565 4.120 -0.017 0.000 0.302 373 V C -0.161 175.926 176.094 -0.013 0.000 1.035 373 V CA -0.693 61.559 62.300 -0.081 0.000 0.873 373 V CB 1.658 33.398 31.823 -0.137 0.000 0.992 373 V HN 0.748 nan 8.190 nan 0.000 0.428 374 R N 4.646 125.177 120.500 0.052 0.000 2.202 374 R HA 0.588 4.917 4.340 -0.017 0.000 0.334 374 R C -1.277 175.069 176.300 0.078 0.000 1.036 374 R CA -0.482 55.665 56.100 0.079 0.000 0.878 374 R CB 0.569 30.941 30.300 0.120 0.000 1.067 374 R HN 0.676 nan 8.270 nan 0.000 0.457 375 L N 3.002 124.263 121.223 0.063 0.000 2.282 375 L HA 0.273 4.603 4.340 -0.017 0.000 0.288 375 L C 0.356 177.316 176.870 0.150 0.000 1.033 375 L CA -0.460 54.434 54.840 0.090 0.000 0.807 375 L CB 1.854 43.907 42.059 -0.010 0.000 1.209 375 L HN 0.527 nan 8.230 nan 0.000 0.423 376 S N 3.371 119.184 115.700 0.190 0.000 2.592 376 S HA 0.337 4.797 4.470 -0.017 0.000 0.305 376 S C -0.171 174.566 174.600 0.229 0.000 1.118 376 S CA -0.671 57.600 58.200 0.118 0.000 1.075 376 S CB 0.154 63.345 63.200 -0.014 0.000 1.107 376 S HN 0.324 nan 8.310 nan 0.000 0.503 377 V N 5.654 125.730 119.914 0.271 0.000 2.521 377 V HA 0.376 4.486 4.120 -0.017 0.000 0.286 377 V C 1.475 177.732 176.094 0.271 0.000 1.034 377 V CA 0.338 62.828 62.300 0.316 0.000 1.045 377 V CB 0.486 32.476 31.823 0.278 0.000 0.974 377 V HN 0.883 nan 8.190 nan 0.000 0.480 378 G N 3.885 112.741 108.800 0.093 0.000 2.543 378 G HA2 0.477 4.427 3.960 -0.017 0.000 0.267 378 G HA3 0.477 4.427 3.960 -0.017 0.000 0.267 378 G C 0.557 175.443 174.900 -0.023 0.000 1.406 378 G CA -0.343 44.820 45.100 0.106 0.000 1.048 378 G HN 0.898 nan 8.290 nan 0.000 0.548 379 I N -2.038 118.436 120.570 -0.159 0.000 3.904 379 I HA 0.392 4.552 4.170 -0.017 0.000 0.333 379 I C -0.085 175.949 176.117 -0.138 0.000 1.361 379 I CA -0.353 60.820 61.300 -0.211 0.000 1.116 379 I CB 0.010 37.830 38.000 -0.300 0.000 1.028 379 I HN 0.086 nan 8.210 nan 0.000 0.398 380 E N 2.049 122.170 120.200 -0.132 0.000 2.428 380 E HA 0.003 4.343 4.350 -0.017 0.000 0.257 380 E C -0.228 176.319 176.600 -0.088 0.000 1.197 380 E CA -0.028 56.303 56.400 -0.115 0.000 0.974 380 E CB 0.278 29.892 29.700 -0.144 0.000 0.976 380 E HN 0.296 nan 8.360 nan 0.000 0.463 381 D N 0.003 120.360 120.400 -0.073 0.000 2.525 381 D HA -0.098 4.532 4.640 -0.017 0.000 0.235 381 D C 0.646 176.913 176.300 -0.056 0.000 1.137 381 D CA -0.039 53.926 54.000 -0.059 0.000 0.868 381 D CB 0.553 41.322 40.800 -0.053 0.000 1.180 381 D HN 0.341 nan 8.370 nan 0.000 0.465 382 L N 4.571 125.766 121.223 -0.047 0.000 2.005 382 L HA 0.117 4.447 4.340 -0.017 0.000 0.207 382 L C 2.158 178.989 176.870 -0.066 0.000 1.072 382 L CA 2.358 57.174 54.840 -0.041 0.000 0.744 382 L CB -1.121 40.917 42.059 -0.035 0.000 0.895 382 L HN 0.671 nan 8.230 nan 0.000 0.433 383 G N -0.671 108.083 108.800 -0.077 0.000 2.574 383 G HA2 -0.366 3.584 3.960 -0.017 0.000 0.220 383 G HA3 -0.366 3.584 3.960 -0.017 0.000 0.220 383 G C 1.305 176.155 174.900 -0.083 0.000 1.173 383 G CA 1.166 46.208 45.100 -0.095 0.000 0.772 383 G HN 0.481 nan 8.290 nan 0.000 0.585 384 D N 0.268 120.633 120.400 -0.060 0.000 2.117 384 D HA -0.044 4.586 4.640 -0.017 0.000 0.197 384 D C 2.705 178.991 176.300 -0.023 0.000 0.987 384 D CA 0.511 54.483 54.000 -0.046 0.000 0.829 384 D CB -0.265 40.505 40.800 -0.051 0.000 0.961 384 D HN 0.341 nan 8.370 nan 0.000 0.460 385 L N 0.287 121.502 121.223 -0.013 0.000 2.027 385 L HA -0.077 4.253 4.340 -0.017 0.000 0.206 385 L C 2.675 179.630 176.870 0.142 0.000 1.074 385 L CA 0.766 55.659 54.840 0.089 0.000 0.745 385 L CB -0.361 41.755 42.059 0.095 0.000 0.898 385 L HN -0.038 nan 8.230 nan 0.000 0.433 386 R N 0.562 121.046 120.500 -0.026 0.000 2.094 386 R HA -0.194 4.136 4.340 -0.017 0.000 0.239 386 R C 2.218 178.399 176.300 -0.197 0.000 1.137 386 R CA 1.968 57.907 56.100 -0.269 0.000 0.943 386 R CB -0.701 29.283 30.300 -0.526 0.000 0.850 386 R HN 0.418 nan 8.270 nan 0.000 0.433 387 G N 0.281 109.011 108.800 -0.117 0.000 2.442 387 G HA2 -0.341 3.608 3.960 -0.017 0.000 0.219 387 G HA3 -0.341 3.608 3.960 -0.017 0.000 0.219 387 G C 1.087 176.012 174.900 0.041 0.000 1.141 387 G CA 1.175 46.251 45.100 -0.041 0.000 0.763 387 G HN 0.479 nan 8.290 nan 0.000 0.554 388 D N 0.126 120.571 120.400 0.075 0.000 2.117 388 D HA -0.053 4.577 4.640 -0.017 0.000 0.197 388 D C 2.595 178.988 176.300 0.154 0.000 0.987 388 D CA 0.683 54.753 54.000 0.117 0.000 0.829 388 D CB -0.197 40.704 40.800 0.169 0.000 0.961 388 D HN 0.340 nan 8.370 nan 0.000 0.460 389 L N 0.021 121.385 121.223 0.234 0.000 2.023 389 L HA -0.064 4.266 4.340 -0.017 0.000 0.205 389 L C 2.552 179.615 176.870 0.322 0.000 1.073 389 L CA 1.119 56.140 54.840 0.302 0.000 0.745 389 L CB -0.610 41.697 42.059 0.413 0.000 0.900 389 L HN 0.077 nan 8.230 nan 0.000 0.435 390 E N 0.375 120.818 120.200 0.405 0.000 2.095 390 E HA -0.320 4.020 4.350 -0.017 0.000 0.212 390 E C 2.324 179.053 176.600 0.214 0.000 1.044 390 E CA 1.952 58.565 56.400 0.356 0.000 0.857 390 E CB -0.008 29.842 29.700 0.250 0.000 0.764 390 E HN 0.297 nan 8.360 nan 0.000 0.462 391 R N -0.872 119.716 120.500 0.147 0.000 2.189 391 R HA -0.009 4.321 4.340 -0.017 0.000 0.218 391 R C 2.074 178.427 176.300 0.088 0.000 1.074 391 R CA 0.761 56.921 56.100 0.101 0.000 0.991 391 R CB 0.027 30.365 30.300 0.063 0.000 0.883 391 R HN 0.148 nan 8.270 nan 0.000 0.457 392 A N 0.372 123.250 122.820 0.096 0.000 2.072 392 A HA 0.044 4.354 4.320 -0.017 0.000 0.216 392 A C 1.905 179.628 177.584 0.230 0.000 1.156 392 A CA 0.545 52.620 52.037 0.063 0.000 0.701 392 A CB 0.003 18.892 19.000 -0.185 0.000 0.816 392 A HN 0.145 nan 8.150 nan 0.000 0.458 393 L N -0.628 120.730 121.223 0.225 0.000 2.249 393 L HA 0.091 4.421 4.340 -0.017 0.000 0.207 393 L C 1.108 178.056 176.870 0.130 0.000 1.090 393 L CA 0.610 55.526 54.840 0.127 0.000 0.802 393 L CB 0.097 42.077 42.059 -0.132 0.000 0.947 393 L HN 0.388 nan 8.230 nan 0.000 0.453 394 V N 0.000 120.003 119.914 0.149 0.000 2.409 394 V HA 0.000 4.110 4.120 -0.017 0.000 0.244 394 V CA 0.000 62.381 62.300 0.135 0.000 1.235 394 V CB 0.000 31.924 31.823 0.168 0.000 1.184 394 V HN 0.000 nan 8.190 nan 0.000 0.556