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 2nz1_1_B DATA FIRST_RESID 12 DATA SEQUENCE HSSGVSTQSV DLSQIKRGDE IQAHcLTPAE TEVTEcAGIL KDVLSKNLHE DATA SEQUENCE LQGLcNVKNK MGVPWVSVEE LGQEIITGRL PFPSVGGTPV NDLVRVLVVA DATA SEQUENCE ESNTPEETPE EEFYAYVELQ TELYTFGLSD DNVVFTSDYM TVWMIDIPKS DATA SEQUENCE YVDVGMLTRA TFLEQWPGAK VTVMIPYSST FTWcGELGAI SEESAPQPSL DATA SEQUENCE SARSPVcKNS ARYSTSKFCE VDGcTAETGM EKMSLLTPFG GPPQQAKMNT DATA SEQUENCE cPcYYKYSVS PLPAMDHLIL ADLAGLDSLT SPVYVMAAYF DSTHENPVRP DATA SEQUENCE SSKLYHcALQ MTSHDGVWTS TSSEQcPIRL VEGQSQNVLQ VRVAPTSMPN DATA SEQUENCE LVGVSLMLEG QQYRLEYFGD H 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 12 H HA 0.000 nan 4.556 nan 0.000 0.296 12 H C 0.000 175.306 175.328 -0.036 0.000 0.993 12 H CA 0.000 56.032 56.048 -0.026 0.000 1.023 12 H CB 0.000 29.748 29.762 -0.024 0.000 1.292 13 S N -0.031 115.731 115.700 0.103 0.000 2.679 13 S HA 0.231 4.701 4.470 0.000 0.000 0.233 13 S C 0.334 174.933 174.600 -0.002 0.000 0.951 13 S CA -0.042 58.169 58.200 0.020 0.000 0.973 13 S CB -0.266 62.929 63.200 -0.008 0.000 0.778 13 S HN 0.532 nan 8.310 nan 0.000 0.477 14 S N -0.722 114.988 115.700 0.016 0.000 2.549 14 S HA 0.947 5.417 4.470 0.000 0.000 0.280 14 S C -0.215 174.369 174.600 -0.027 0.000 1.109 14 S CA -0.409 57.775 58.200 -0.027 0.000 0.905 14 S CB 1.695 64.867 63.200 -0.048 0.000 1.081 14 S HN 1.109 nan 8.310 nan 0.000 0.477 15 G N -0.118 108.653 108.800 -0.048 0.000 2.320 15 G HA2 0.463 4.423 3.960 0.000 0.000 0.297 15 G HA3 0.463 4.423 3.960 0.000 0.000 0.297 15 G C -2.174 172.690 174.900 -0.059 0.000 1.344 15 G CA -0.286 44.787 45.100 -0.045 0.000 0.851 15 G HN 1.397 nan 8.290 nan 0.000 0.567 16 V N 0.971 120.857 119.914 -0.046 0.000 2.569 16 V HA 0.785 4.905 4.120 0.000 0.000 0.301 16 V C 0.005 176.084 176.094 -0.024 0.000 1.044 16 V CA -0.190 62.084 62.300 -0.043 0.000 0.874 16 V CB 1.437 33.247 31.823 -0.022 0.000 1.002 16 V HN 1.550 nan 8.190 nan 0.000 0.424 17 S N 2.274 117.952 115.700 -0.037 0.000 2.548 17 S HA 0.905 5.375 4.470 0.000 0.000 0.286 17 S C -0.377 174.232 174.600 0.015 0.000 1.098 17 S CA -0.444 57.752 58.200 -0.007 0.000 0.930 17 S CB 2.274 65.458 63.200 -0.028 0.000 1.070 17 S HN 0.985 nan 8.310 nan 0.000 0.480 18 T N -0.971 113.631 114.554 0.081 0.000 2.942 18 T HA 0.835 5.185 4.350 0.000 0.000 0.289 18 T C -0.821 173.970 174.700 0.152 0.000 1.044 18 T CA -0.636 61.561 62.100 0.161 0.000 1.023 18 T CB 1.516 70.578 68.868 0.324 0.000 1.123 18 T HN 1.166 nan 8.240 nan 0.000 0.512 19 Q N 0.060 119.995 119.800 0.225 0.000 2.666 19 Q HA 0.488 4.828 4.340 0.000 0.000 0.276 19 Q C -1.630 174.519 176.000 0.250 0.000 0.952 19 Q CA -0.949 54.955 55.803 0.169 0.000 0.850 19 Q CB 0.979 29.758 28.738 0.068 0.000 1.512 19 Q HN 0.592 nan 8.270 nan 0.000 0.395 20 S N 0.484 116.290 115.700 0.176 0.000 2.592 20 S HA 0.570 5.040 4.470 0.000 0.000 0.271 20 S C -0.560 174.122 174.600 0.136 0.000 1.326 20 S CA -0.449 57.862 58.200 0.184 0.000 1.024 20 S CB 1.197 64.463 63.200 0.110 0.000 0.921 20 S HN 0.393 nan 8.310 nan 0.000 0.527 21 V N 2.562 122.561 119.914 0.141 0.000 2.447 21 V HA 0.336 4.456 4.120 0.000 0.000 0.292 21 V C -0.832 175.309 176.094 0.078 0.000 1.021 21 V CA -0.723 61.628 62.300 0.085 0.000 0.850 21 V CB 1.767 33.628 31.823 0.063 0.000 1.005 21 V HN 0.803 nan 8.190 nan 0.000 0.426 22 D N 4.297 124.729 120.400 0.054 0.000 2.460 22 D HA 0.378 5.018 4.640 0.000 0.000 0.232 22 D C 0.971 177.289 176.300 0.031 0.000 1.079 22 D CA -0.335 53.693 54.000 0.046 0.000 0.864 22 D CB 1.711 42.534 40.800 0.038 0.000 1.048 22 D HN 0.416 nan 8.370 nan 0.000 0.523 23 L N 1.934 123.176 121.223 0.032 0.000 2.187 23 L HA -0.163 4.177 4.340 0.000 0.000 0.213 23 L C 2.161 179.041 176.870 0.016 0.000 1.100 23 L CA 0.688 55.541 54.840 0.021 0.000 0.765 23 L CB -0.238 41.834 42.059 0.023 0.000 0.904 23 L HN 0.266 nan 8.230 nan 0.000 0.437 24 S N -0.566 115.145 115.700 0.019 0.000 2.423 24 S HA -0.183 4.287 4.470 0.000 0.000 0.231 24 S C 1.507 176.113 174.600 0.010 0.000 1.014 24 S CA 1.078 59.287 58.200 0.014 0.000 0.965 24 S CB -0.167 63.042 63.200 0.015 0.000 0.785 24 S HN 0.543 nan 8.310 nan 0.000 0.495 25 Q N 0.176 119.982 119.800 0.011 0.000 2.201 25 Q HA 0.387 4.727 4.340 0.000 0.000 0.217 25 Q C -0.659 175.342 176.000 0.003 0.000 0.860 25 Q CA 0.074 55.881 55.803 0.007 0.000 0.984 25 Q CB 0.313 29.056 28.738 0.009 0.000 1.095 25 Q HN 0.465 nan 8.270 nan 0.000 0.477 26 I N 1.642 122.212 120.570 0.001 0.000 2.447 26 I HA 0.235 4.405 4.170 0.000 0.000 0.287 26 I C -0.295 175.816 176.117 -0.009 0.000 1.023 26 I CA -1.175 60.121 61.300 -0.006 0.000 1.083 26 I CB 1.521 39.517 38.000 -0.006 0.000 1.245 26 I HN -0.132 nan 8.210 nan 0.000 0.434 27 K N 6.867 127.257 120.400 -0.016 0.000 2.440 27 K HA -0.028 4.292 4.320 0.000 0.000 0.275 27 K C 0.598 177.188 176.600 -0.016 0.000 1.082 27 K CA 0.417 56.693 56.287 -0.017 0.000 1.135 27 K CB -0.041 32.443 32.500 -0.027 0.000 0.864 27 K HN 0.564 nan 8.250 nan 0.000 0.479 28 R N 0.626 121.123 120.500 -0.006 0.000 3.741 28 R HA -0.238 4.102 4.340 0.000 0.000 0.292 28 R C 1.354 177.657 176.300 0.005 0.000 1.176 28 R CA 0.532 56.634 56.100 0.003 0.000 0.794 28 R CB -2.290 28.010 30.300 -0.000 0.000 1.213 28 R HN 0.921 nan 8.270 nan 0.000 0.494 29 G N 0.829 109.630 108.800 0.001 0.000 2.475 29 G HA2 -0.320 3.640 3.960 0.000 0.000 0.220 29 G HA3 -0.320 3.640 3.960 0.000 0.000 0.220 29 G C 0.947 175.852 174.900 0.008 0.000 1.125 29 G CA 1.363 46.463 45.100 0.001 0.000 0.755 29 G HN 0.318 nan 8.290 nan 0.000 0.565 30 D N 0.429 120.837 120.400 0.013 0.000 2.117 30 D HA -0.018 4.623 4.640 0.000 0.000 0.198 30 D C 2.543 178.853 176.300 0.016 0.000 0.982 30 D CA 0.877 54.884 54.000 0.012 0.000 0.828 30 D CB -0.192 40.616 40.800 0.014 0.000 0.967 30 D HN 0.486 nan 8.370 nan 0.000 0.464 31 E N 0.217 120.445 120.200 0.047 0.000 2.047 31 E HA -0.090 4.261 4.350 0.000 0.000 0.191 31 E C 2.342 179.009 176.600 0.111 0.000 0.987 31 E CA 0.454 56.925 56.400 0.118 0.000 0.799 31 E CB -0.019 29.759 29.700 0.130 0.000 0.752 31 E HN 0.283 nan 8.360 nan 0.000 0.449 32 I N 1.356 121.960 120.570 0.056 0.000 2.163 32 I HA -0.308 3.862 4.170 0.000 0.000 0.243 32 I C 2.844 178.976 176.117 0.024 0.000 1.085 32 I CA 1.118 62.440 61.300 0.037 0.000 1.347 32 I CB -0.306 37.694 38.000 -0.000 0.000 1.044 32 I HN 0.159 nan 8.210 nan 0.000 0.408 33 Q N 1.236 121.039 119.800 0.004 0.000 2.084 33 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 33 Q C 2.222 178.198 176.000 -0.040 0.000 0.978 33 Q CA 2.151 57.947 55.803 -0.011 0.000 0.844 33 Q CB -0.050 28.684 28.738 -0.006 0.000 0.898 33 Q HN 0.554 nan 8.270 nan 0.000 0.426 34 A N -0.491 122.277 122.820 -0.087 0.000 2.016 34 A HA -0.093 4.227 4.320 0.000 0.000 0.217 34 A C 1.537 178.915 177.584 -0.343 0.000 1.162 34 A CA 0.933 52.835 52.037 -0.226 0.000 0.662 34 A CB -0.291 18.517 19.000 -0.320 0.000 0.812 34 A HN 0.415 nan 8.150 nan 0.000 0.450 35 H N -2.681 116.393 119.070 0.006 0.000 2.885 35 H HA 0.144 4.701 4.556 0.000 0.000 0.260 35 H C 1.308 176.641 175.328 0.008 0.000 0.985 35 H CA 0.867 56.919 56.048 0.008 0.000 1.210 35 H CB 0.406 30.173 29.762 0.007 0.000 1.466 35 H HN 0.532 nan 8.280 nan 0.000 0.493 36 c N -0.009 118.649 118.600 0.097 0.000 3.097 36 c HA 0.287 4.858 4.570 0.000 0.000 0.335 36 c C 1.998 176.107 174.090 0.030 0.000 1.283 36 c CA -0.052 56.314 56.329 0.062 0.000 1.778 36 c CB 0.264 42.801 42.510 0.045 0.000 2.365 36 c HN 0.285 nan 8.230 nan 0.000 0.627 37 L N 0.174 121.403 121.223 0.011 0.000 3.016 37 L HA 0.216 4.556 4.340 0.000 0.000 0.267 37 L C -0.106 176.754 176.870 -0.017 0.000 1.182 37 L CA 0.598 55.435 54.840 -0.006 0.000 0.997 37 L CB 0.282 42.335 42.059 -0.010 0.000 1.354 37 L HN 0.157 nan 8.230 nan 0.000 0.569 38 T N 1.787 116.330 114.554 -0.019 0.000 2.841 38 T HA 0.309 4.660 4.350 0.000 0.000 0.285 38 T C -2.645 172.045 174.700 -0.017 0.000 0.991 38 T CA -1.212 60.870 62.100 -0.029 0.000 0.966 38 T CB 2.174 71.011 68.868 -0.052 0.000 0.962 38 T HN -0.165 nan 8.240 nan 0.000 0.438 39 P HA 0.282 nan 4.420 nan 0.000 0.263 39 P C -0.378 176.926 177.300 0.008 0.000 1.345 39 P CA 0.074 63.173 63.100 -0.001 0.000 1.119 39 P CB 0.308 32.001 31.700 -0.011 0.000 1.363 40 A N 4.478 127.314 122.820 0.027 0.000 3.078 40 A HA 0.319 4.639 4.320 0.000 0.000 0.206 40 A C 0.095 177.718 177.584 0.064 0.000 1.967 40 A CA -0.158 51.905 52.037 0.044 0.000 1.845 40 A CB -0.371 18.667 19.000 0.062 0.000 1.345 40 A HN 0.336 nan 8.150 nan 0.000 0.393 41 E N 1.337 121.597 120.200 0.100 0.000 2.414 41 E HA 0.235 4.585 4.350 0.000 0.000 0.263 41 E C 0.214 176.851 176.600 0.062 0.000 1.000 41 E CA 0.674 57.120 56.400 0.078 0.000 0.914 41 E CB 0.380 30.128 29.700 0.081 0.000 0.948 41 E HN 0.536 nan 8.360 nan 0.000 0.444 42 T N 0.365 114.948 114.554 0.049 0.000 3.434 42 T HA 0.104 4.454 4.350 0.000 0.000 0.249 42 T C 0.051 174.779 174.700 0.047 0.000 1.050 42 T CA -0.337 61.791 62.100 0.047 0.000 0.952 42 T CB -0.119 68.773 68.868 0.040 0.000 1.046 42 T HN 0.174 nan 8.240 nan 0.000 0.590 43 E N 0.963 121.192 120.200 0.047 0.000 2.293 43 E HA 0.287 4.637 4.350 0.000 0.000 0.270 43 E C 0.972 177.599 176.600 0.044 0.000 0.879 43 E CA -0.709 55.716 56.400 0.042 0.000 0.756 43 E CB 2.400 32.118 29.700 0.030 0.000 1.208 43 E HN 0.074 nan 8.360 nan 0.000 0.428 44 V N -0.322 119.620 119.914 0.047 0.000 3.380 44 V HA -0.094 4.026 4.120 0.000 0.000 0.268 44 V C 1.442 177.553 176.094 0.028 0.000 1.168 44 V CA 1.413 63.742 62.300 0.048 0.000 1.156 44 V CB -0.730 31.128 31.823 0.059 0.000 0.785 44 V HN 0.521 nan 8.190 nan 0.000 0.487 45 T N 1.439 116.002 114.554 0.014 0.000 2.622 45 T HA -0.189 4.162 4.350 0.000 0.000 0.266 45 T C 1.756 176.439 174.700 -0.029 0.000 1.047 45 T CA 2.420 64.517 62.100 -0.004 0.000 1.159 45 T CB -0.288 68.574 68.868 -0.009 0.000 0.863 45 T HN 0.592 nan 8.240 nan 0.000 0.422 46 E N 0.249 120.413 120.200 -0.060 0.000 2.085 46 E HA -0.100 4.250 4.350 0.000 0.000 0.194 46 E C 2.372 178.910 176.600 -0.102 0.000 0.994 46 E CA 0.919 57.231 56.400 -0.147 0.000 0.801 46 E CB -0.762 28.760 29.700 -0.296 0.000 0.743 46 E HN 0.550 nan 8.360 nan 0.000 0.453 47 c N 0.101 118.688 118.600 -0.021 0.000 2.467 47 c HA 0.208 4.778 4.570 0.000 0.000 0.279 47 c C 2.685 176.787 174.090 0.020 0.000 1.347 47 c CA 0.785 57.129 56.329 0.024 0.000 1.748 47 c CB -0.999 41.548 42.510 0.062 0.000 1.977 47 c HN 0.454 nan 8.230 nan 0.000 0.501 48 A N 0.640 123.474 122.820 0.023 0.000 1.898 48 A HA 0.111 4.431 4.320 0.000 0.000 0.216 48 A C 2.453 180.058 177.584 0.035 0.000 1.181 48 A CA 1.973 54.035 52.037 0.042 0.000 0.620 48 A CB -1.427 17.592 19.000 0.032 0.000 0.819 48 A HN 0.683 nan 8.150 nan 0.000 0.442 49 G N -0.219 108.583 108.800 0.004 0.000 2.443 49 G HA2 -0.114 3.846 3.960 0.000 0.000 0.219 49 G HA3 -0.114 3.846 3.960 0.000 0.000 0.219 49 G C 1.465 176.360 174.900 -0.007 0.000 1.131 49 G CA 1.082 46.180 45.100 -0.004 0.000 0.775 49 G HN 0.496 nan 8.290 nan 0.000 0.547 50 I N 0.094 120.656 120.570 -0.015 0.000 2.277 50 I HA -0.006 4.164 4.170 0.000 0.000 0.243 50 I C 2.594 178.690 176.117 -0.036 0.000 1.094 50 I CA 0.454 61.742 61.300 -0.019 0.000 1.393 50 I CB -0.185 37.812 38.000 -0.006 0.000 1.078 50 I HN 0.087 nan 8.210 nan 0.000 0.417 51 L N 0.669 121.868 121.223 -0.041 0.000 2.083 51 L HA -0.209 4.131 4.340 0.000 0.000 0.209 51 L C 2.606 179.415 176.870 -0.102 0.000 1.083 51 L CA 1.147 55.908 54.840 -0.132 0.000 0.752 51 L CB -0.643 41.338 42.059 -0.130 0.000 0.899 51 L HN 0.188 nan 8.230 nan 0.000 0.433 52 K N 0.835 121.281 120.400 0.077 0.000 2.044 52 K HA -0.268 4.052 4.320 0.000 0.000 0.210 52 K C 1.702 178.342 176.600 0.067 0.000 1.049 52 K CA 2.203 58.586 56.287 0.160 0.000 0.927 52 K CB -0.326 32.237 32.500 0.104 0.000 0.713 52 K HN 0.283 nan 8.250 nan 0.000 0.443 53 D N -0.842 119.563 120.400 0.009 0.000 2.091 53 D HA -0.092 4.548 4.640 0.000 0.000 0.199 53 D C 1.802 178.077 176.300 -0.042 0.000 0.980 53 D CA 1.401 55.395 54.000 -0.010 0.000 0.831 53 D CB -0.133 40.659 40.800 -0.013 0.000 0.987 53 D HN 0.036 nan 8.370 nan 0.000 0.460 54 V N 0.393 120.261 119.914 -0.076 0.000 2.237 54 V HA -0.189 3.931 4.120 0.000 0.000 0.245 54 V C 2.391 178.387 176.094 -0.164 0.000 1.046 54 V CA 1.165 63.401 62.300 -0.107 0.000 1.007 54 V CB -0.488 31.266 31.823 -0.114 0.000 0.638 54 V HN 0.289 nan 8.190 nan 0.000 0.445 55 L N -0.033 121.011 121.223 -0.297 0.000 2.362 55 L HA -0.022 4.318 4.340 0.000 0.000 0.219 55 L C 2.407 179.145 176.870 -0.220 0.000 1.134 55 L CA 1.463 56.034 54.840 -0.448 0.000 0.807 55 L CB -1.337 40.022 42.059 -1.166 0.000 0.927 55 L HN 0.275 nan 8.230 nan 0.000 0.447 56 S N -0.968 114.696 115.700 -0.061 0.000 2.489 56 S HA -0.047 4.423 4.470 0.000 0.000 0.228 56 S C 1.816 176.409 174.600 -0.011 0.000 0.995 56 S CA 0.698 58.924 58.200 0.043 0.000 0.934 56 S CB 0.116 63.362 63.200 0.076 0.000 0.771 56 S HN 0.464 nan 8.310 nan 0.000 0.522 57 K N 0.721 121.094 120.400 -0.045 0.000 2.308 57 K HA 0.168 4.488 4.320 0.000 0.000 0.197 57 K C 0.254 176.820 176.600 -0.057 0.000 1.049 57 K CA 0.355 56.617 56.287 -0.041 0.000 0.991 57 K CB 0.170 32.648 32.500 -0.038 0.000 0.836 57 K HN 0.121 nan 8.250 nan 0.000 0.500 58 N N 0.783 119.428 118.700 -0.091 0.000 2.701 58 N HA 0.033 4.773 4.740 0.000 0.000 0.258 58 N C -0.026 175.377 175.510 -0.179 0.000 1.262 58 N CA -0.172 52.817 53.050 -0.103 0.000 0.780 58 N CB 0.863 39.308 38.487 -0.071 0.000 1.380 58 N HN -0.112 nan 8.380 nan 0.000 0.548 59 L N 2.393 123.471 121.223 -0.242 0.000 2.137 59 L HA -0.081 4.259 4.340 0.000 0.000 0.213 59 L C 0.743 177.331 176.870 -0.470 0.000 1.085 59 L CA 1.943 56.548 54.840 -0.392 0.000 0.760 59 L CB -0.318 41.443 42.059 -0.496 0.000 0.893 59 L HN 0.646 nan 8.230 nan 0.000 0.434 60 H N -1.445 117.575 119.070 -0.083 0.000 2.487 60 H HA 0.144 4.700 4.556 0.000 0.000 0.290 60 H C 1.513 176.788 175.328 -0.089 0.000 1.081 60 H CA 0.371 56.371 56.048 -0.081 0.000 1.116 60 H CB 0.139 29.867 29.762 -0.057 0.000 1.560 60 H HN 0.551 nan 8.280 nan 0.000 0.548 61 E N 1.420 121.592 120.200 -0.045 0.000 2.171 61 E HA -0.134 4.217 4.350 0.000 0.000 0.197 61 E C 1.582 178.153 176.600 -0.049 0.000 0.997 61 E CA 0.541 56.910 56.400 -0.051 0.000 0.810 61 E CB 0.067 29.714 29.700 -0.088 0.000 0.738 61 E HN 0.423 nan 8.360 nan 0.000 0.467 62 L N 0.495 121.679 121.223 -0.065 0.000 2.187 62 L HA -0.235 4.105 4.340 0.000 0.000 0.213 62 L C 2.507 179.351 176.870 -0.044 0.000 1.100 62 L CA 1.166 55.971 54.840 -0.057 0.000 0.765 62 L CB -0.423 41.599 42.059 -0.062 0.000 0.904 62 L HN 0.250 nan 8.230 nan 0.000 0.437 63 Q N -0.298 119.485 119.800 -0.028 0.000 2.224 63 Q HA -0.103 4.237 4.340 0.000 0.000 0.203 63 Q C 2.222 178.191 176.000 -0.052 0.000 0.970 63 Q CA 1.149 56.924 55.803 -0.047 0.000 0.865 63 Q CB -0.255 28.456 28.738 -0.045 0.000 0.922 63 Q HN 0.608 nan 8.270 nan 0.000 0.445 64 G N 0.442 109.221 108.800 -0.036 0.000 2.679 64 G HA2 -0.091 3.869 3.960 0.000 0.000 0.212 64 G HA3 -0.091 3.869 3.960 0.000 0.000 0.212 64 G C 1.177 176.056 174.900 -0.034 0.000 1.137 64 G CA 0.149 45.231 45.100 -0.029 0.000 0.787 64 G HN 0.189 nan 8.290 nan 0.000 0.534 65 L N 0.185 121.379 121.223 -0.049 0.000 2.567 65 L HA 0.203 4.543 4.340 0.000 0.000 0.225 65 L C 0.425 177.237 176.870 -0.097 0.000 1.119 65 L CA -0.456 54.350 54.840 -0.055 0.000 0.871 65 L CB 0.190 42.220 42.059 -0.049 0.000 1.036 65 L HN 0.049 nan 8.230 nan 0.000 0.459 66 c N 1.017 119.544 118.600 -0.120 0.000 2.373 66 c HA 0.110 4.680 4.570 0.000 0.000 0.354 66 c C 1.639 175.595 174.090 -0.224 0.000 1.249 66 c CA -0.721 55.491 56.329 -0.194 0.000 1.784 66 c CB -0.294 42.095 42.510 -0.201 0.000 2.408 66 c HN 0.433 nan 8.230 nan 0.000 0.542 67 N N 1.186 119.665 118.700 -0.369 0.000 2.270 67 N HA 0.007 4.747 4.740 0.000 0.000 0.181 67 N C 0.018 175.249 175.510 -0.464 0.000 1.016 67 N CA 0.930 53.709 53.050 -0.450 0.000 0.870 67 N CB 0.146 38.130 38.487 -0.838 0.000 0.979 67 N HN 0.536 nan 8.380 nan 0.000 0.431 68 V N 0.077 119.729 119.914 -0.437 0.000 2.760 68 V HA 0.326 4.446 4.120 0.000 0.000 0.309 68 V C -0.766 175.103 176.094 -0.375 0.000 1.077 68 V CA -1.018 61.132 62.300 -0.249 0.000 0.910 68 V CB 2.384 34.217 31.823 0.016 0.000 1.008 68 V HN -0.040 nan 8.190 nan 0.000 0.424 69 K N 3.520 123.726 120.400 -0.322 0.000 2.502 69 K HA 0.455 4.775 4.320 0.000 0.000 0.254 69 K C -1.071 175.301 176.600 -0.380 0.000 0.947 69 K CA -0.560 55.473 56.287 -0.424 0.000 0.834 69 K CB 1.202 33.540 32.500 -0.271 0.000 1.112 69 K HN 0.679 nan 8.250 nan 0.000 0.427 70 N N 4.480 122.836 118.700 -0.573 0.000 2.476 70 N HA 0.181 4.921 4.740 0.000 0.000 0.257 70 N C -1.641 173.687 175.510 -0.304 0.000 0.970 70 N CA -0.412 52.430 53.050 -0.346 0.000 0.938 70 N CB 1.085 39.426 38.487 -0.243 0.000 1.144 70 N HN 0.671 nan 8.380 nan 0.000 0.500 71 K N 2.684 122.973 120.400 -0.185 0.000 2.259 71 K HA 0.643 4.963 4.320 0.000 0.000 0.249 71 K C -0.436 176.105 176.600 -0.098 0.000 0.942 71 K CA -0.832 55.365 56.287 -0.149 0.000 0.816 71 K CB 1.787 34.209 32.500 -0.130 0.000 1.155 71 K HN 0.430 nan 8.250 nan 0.000 0.428 72 M N -0.208 119.338 119.600 -0.090 0.000 2.572 72 M HA 0.545 5.025 4.480 0.000 0.000 0.299 72 M C -0.585 175.673 176.300 -0.069 0.000 1.205 72 M CA -0.882 54.378 55.300 -0.068 0.000 0.876 72 M CB 2.209 34.775 32.600 -0.058 0.000 1.728 72 M HN 0.677 nan 8.290 nan 0.000 0.458 73 G N 1.308 110.074 108.800 -0.058 0.000 2.325 73 G HA2 0.527 4.487 3.960 0.000 0.000 0.298 73 G HA3 0.527 4.487 3.960 0.000 0.000 0.298 73 G C -1.298 173.557 174.900 -0.074 0.000 1.134 73 G CA -0.610 44.450 45.100 -0.067 0.000 0.876 73 G HN 0.707 nan 8.290 nan 0.000 0.452 74 V N 4.870 124.714 119.914 -0.116 0.000 2.540 74 V HA 0.652 4.772 4.120 0.000 0.000 0.302 74 V C -2.401 173.596 176.094 -0.161 0.000 1.035 74 V CA -2.411 59.822 62.300 -0.111 0.000 0.873 74 V CB 2.752 34.514 31.823 -0.102 0.000 0.992 74 V HN 0.560 nan 8.190 nan 0.000 0.428 75 P HA 0.173 nan 4.420 nan 0.000 0.271 75 P C -1.069 176.241 177.300 0.016 0.000 1.216 75 P CA 0.039 63.123 63.100 -0.027 0.000 0.776 75 P CB 0.343 32.065 31.700 0.037 0.000 0.881 76 W N 1.960 123.279 121.300 0.032 0.000 2.210 76 W HA 0.290 4.950 4.660 -0.000 0.000 0.330 76 W C -0.302 176.243 176.519 0.044 0.000 1.334 76 W CA -0.093 57.277 57.345 0.042 0.000 1.227 76 W CB 0.467 29.942 29.460 0.026 0.000 1.178 76 W HN 0.045 nan 8.180 nan 0.000 0.560 77 V N 3.853 123.980 119.914 0.355 0.000 2.407 77 V HA 0.191 4.311 4.120 0.000 0.000 0.291 77 V C 0.026 176.240 176.094 0.199 0.000 1.018 77 V CA -0.933 61.495 62.300 0.213 0.000 0.842 77 V CB 1.230 33.145 31.823 0.155 0.000 0.996 77 V HN 0.502 nan 8.190 nan 0.000 0.426 78 S N 3.794 119.572 115.700 0.131 0.000 2.565 78 S HA 0.693 5.163 4.470 0.000 0.000 0.274 78 S C -0.452 174.183 174.600 0.058 0.000 1.309 78 S CA -0.298 57.947 58.200 0.075 0.000 1.043 78 S CB 1.089 64.308 63.200 0.032 0.000 0.939 78 S HN 0.508 nan 8.310 nan 0.000 0.504 79 V N 4.697 124.638 119.914 0.045 0.000 2.709 79 V HA 0.404 4.524 4.120 0.000 0.000 0.308 79 V C 0.314 176.415 176.094 0.011 0.000 1.062 79 V CA -0.683 61.637 62.300 0.034 0.000 0.901 79 V CB 2.071 33.922 31.823 0.046 0.000 1.003 79 V HN 0.908 nan 8.190 nan 0.000 0.425 80 E N 2.319 122.521 120.200 0.003 0.000 2.057 80 E HA -0.060 4.290 4.350 0.000 0.000 0.190 80 E C 1.786 178.378 176.600 -0.013 0.000 0.969 80 E CA 0.762 57.156 56.400 -0.009 0.000 0.812 80 E CB 0.041 29.736 29.700 -0.009 0.000 0.777 80 E HN 0.831 nan 8.360 nan 0.000 0.455 81 E N 1.311 121.506 120.200 -0.009 0.000 2.118 81 E HA -0.140 4.210 4.350 0.000 0.000 0.195 81 E C 2.138 178.729 176.600 -0.016 0.000 0.992 81 E CA 0.931 57.324 56.400 -0.012 0.000 0.804 81 E CB -0.294 29.400 29.700 -0.009 0.000 0.741 81 E HN 0.268 nan 8.360 nan 0.000 0.458 82 L N -0.446 120.771 121.223 -0.011 0.000 2.616 82 L HA 0.277 4.617 4.340 0.000 0.000 0.229 82 L C 0.991 177.851 176.870 -0.017 0.000 1.110 82 L CA 0.267 55.096 54.840 -0.017 0.000 0.884 82 L CB 0.307 42.358 42.059 -0.013 0.000 1.115 82 L HN 0.264 nan 8.230 nan 0.000 0.481 83 G N 1.200 109.992 108.800 -0.013 0.000 2.303 83 G HA2 -0.228 3.732 3.960 0.000 0.000 0.260 83 G HA3 -0.228 3.732 3.960 0.000 0.000 0.260 83 G C -0.181 174.728 174.900 0.015 0.000 1.106 83 G CA -0.347 44.742 45.100 -0.018 0.000 0.900 83 G HN 0.433 nan 8.290 nan 0.000 0.495 84 Q N 0.083 119.904 119.800 0.035 0.000 2.348 84 Q HA 0.490 4.830 4.340 0.000 0.000 0.265 84 Q C -0.738 175.328 176.000 0.110 0.000 0.998 84 Q CA -0.711 55.150 55.803 0.098 0.000 0.831 84 Q CB 1.791 30.595 28.738 0.110 0.000 1.251 84 Q HN 0.268 nan 8.270 nan 0.000 0.456 85 E N 3.370 123.665 120.200 0.159 0.000 2.113 85 E HA 0.440 4.790 4.350 0.000 0.000 0.273 85 E C -0.647 176.294 176.600 0.567 0.000 0.924 85 E CA -0.298 56.211 56.400 0.183 0.000 0.764 85 E CB 1.464 30.963 29.700 -0.335 0.000 1.104 85 E HN 0.535 nan 8.360 nan 0.000 0.406 86 I N 4.395 125.288 120.570 0.539 0.000 2.466 86 I HA 0.401 4.571 4.170 0.000 0.000 0.289 86 I C 0.189 176.525 176.117 0.365 0.000 1.026 86 I CA -1.036 60.546 61.300 0.470 0.000 1.078 86 I CB 1.584 39.748 38.000 0.274 0.000 1.249 86 I HN 0.357 nan 8.210 nan 0.000 0.429 87 I N 3.177 123.904 120.570 0.261 0.000 2.404 87 I HA 0.741 4.911 4.170 0.000 0.000 0.293 87 I C -0.315 175.840 176.117 0.063 0.000 0.992 87 I CA -0.213 61.114 61.300 0.045 0.000 1.149 87 I CB 1.952 39.843 38.000 -0.182 0.000 1.315 87 I HN 0.579 nan 8.210 nan 0.000 0.446 88 T N 1.701 116.276 114.554 0.035 0.000 2.909 88 T HA 0.904 5.254 4.350 0.000 0.000 0.299 88 T C -0.322 174.387 174.700 0.015 0.000 1.073 88 T CA -0.658 61.461 62.100 0.033 0.000 0.999 88 T CB 1.843 70.739 68.868 0.048 0.000 1.098 88 T HN 1.189 nan 8.240 nan 0.000 0.477 89 G N 0.986 109.796 108.800 0.016 0.000 2.646 89 G HA2 0.583 4.544 3.960 0.000 0.000 0.291 89 G HA3 0.583 4.544 3.960 0.000 0.000 0.291 89 G C -1.623 173.291 174.900 0.024 0.000 1.445 89 G CA -1.145 43.960 45.100 0.009 0.000 0.814 89 G HN 0.771 nan 8.290 nan 0.000 0.495 90 R N 0.978 121.493 120.500 0.025 0.000 2.278 90 R HA 0.320 4.660 4.340 0.000 0.000 0.322 90 R C 0.056 176.341 176.300 -0.024 0.000 1.058 90 R CA -0.541 55.588 56.100 0.049 0.000 0.991 90 R CB 1.086 31.432 30.300 0.077 0.000 1.140 90 R HN 0.363 nan 8.270 nan 0.000 0.518 91 L N 4.974 126.109 121.223 -0.145 0.000 2.525 91 L HA 0.071 4.411 4.340 0.000 0.000 0.278 91 L C -1.384 175.277 176.870 -0.347 0.000 1.218 91 L CA -1.219 53.430 54.840 -0.319 0.000 0.878 91 L CB 0.337 42.041 42.059 -0.591 0.000 1.127 91 L HN 0.294 nan 8.230 nan 0.000 0.492 92 P HA 0.046 nan 4.420 nan 0.000 0.230 92 P C -0.526 176.734 177.300 -0.068 0.000 1.791 92 P CA -0.363 62.743 63.100 0.010 0.000 1.020 92 P CB -0.441 31.312 31.700 0.087 0.000 1.977 93 F N 3.625 123.556 119.950 -0.031 0.000 2.580 93 F HA -0.032 4.496 4.527 0.000 0.000 0.398 93 F C -0.242 175.277 175.800 -0.469 0.000 1.023 93 F CA -1.102 56.677 58.000 -0.369 0.000 1.188 93 F CB -0.492 38.451 39.000 -0.095 0.000 1.005 93 F HN 0.253 nan 8.300 nan 0.000 0.546 94 P HA -0.131 nan 4.420 nan 0.000 0.221 94 P C 0.216 177.331 177.300 -0.309 0.000 1.145 94 P CA 1.076 63.831 63.100 -0.575 0.000 0.795 94 P CB 0.522 31.641 31.700 -0.970 0.000 0.775 95 S N -1.960 113.610 115.700 -0.217 0.000 2.588 95 S HA 0.317 4.787 4.470 0.000 0.000 0.269 95 S C -1.070 173.606 174.600 0.126 0.000 1.157 95 S CA -0.773 57.411 58.200 -0.027 0.000 0.824 95 S CB 1.106 64.288 63.200 -0.029 0.000 1.126 95 S HN -0.210 nan 8.310 nan 0.000 0.464 96 V N 3.674 123.677 119.914 0.148 0.000 2.644 96 V HA 0.157 4.277 4.120 0.000 0.000 0.305 96 V C 2.016 178.205 176.094 0.159 0.000 1.053 96 V CA 1.313 63.684 62.300 0.118 0.000 1.186 96 V CB 0.180 32.010 31.823 0.012 0.000 0.895 96 V HN 1.095 nan 8.190 nan 0.000 0.490 97 G N 3.172 112.000 108.800 0.047 0.000 2.453 97 G HA2 0.363 4.323 3.960 0.000 0.000 0.215 97 G HA3 0.363 4.323 3.960 0.000 0.000 0.215 97 G C 0.598 175.490 174.900 -0.013 0.000 1.201 97 G CA 0.859 45.950 45.100 -0.015 0.000 0.784 97 G HN 1.388 nan 8.290 nan 0.000 0.545 98 G N -2.788 105.978 108.800 -0.057 0.000 2.317 98 G HA2 0.427 4.387 3.960 0.000 0.000 0.293 98 G HA3 0.427 4.387 3.960 0.000 0.000 0.293 98 G C -1.359 173.473 174.900 -0.113 0.000 1.287 98 G CA 0.009 45.057 45.100 -0.087 0.000 0.850 98 G HN 0.261 nan 8.290 nan 0.000 0.515 99 T N 1.178 115.669 114.554 -0.105 0.000 2.925 99 T HA 0.572 4.922 4.350 0.000 0.000 0.285 99 T C -1.517 173.122 174.700 -0.102 0.000 1.021 99 T CA -1.092 60.964 62.100 -0.073 0.000 1.042 99 T CB 2.172 71.049 68.868 0.015 0.000 1.037 99 T HN 0.174 nan 8.240 nan 0.000 0.481 100 P HA -0.093 nan 4.420 nan 0.000 0.218 100 P C 1.352 178.595 177.300 -0.094 0.000 1.146 100 P CA 0.647 63.677 63.100 -0.117 0.000 0.813 100 P CB 0.079 31.721 31.700 -0.096 0.000 0.778 101 V N -1.484 118.384 119.914 -0.076 0.000 2.759 101 V HA -0.158 3.962 4.120 0.000 0.000 0.256 101 V C 1.069 177.111 176.094 -0.087 0.000 1.080 101 V CA 1.045 63.303 62.300 -0.070 0.000 1.101 101 V CB -1.388 30.400 31.823 -0.057 0.000 0.698 101 V HN 0.198 nan 8.190 nan 0.000 0.477 102 N N 0.255 118.889 118.700 -0.111 0.000 2.288 102 N HA 0.047 4.787 4.740 0.000 0.000 0.237 102 N C 0.318 175.767 175.510 -0.103 0.000 1.311 102 N CA 0.142 53.114 53.050 -0.132 0.000 0.909 102 N CB 0.305 38.701 38.487 -0.151 0.000 1.167 102 N HN 0.244 nan 8.380 nan 0.000 0.476 103 D N -0.454 119.888 120.400 -0.097 0.000 2.358 103 D HA 0.327 4.967 4.640 0.000 0.000 0.287 103 D C -0.191 176.065 176.300 -0.073 0.000 1.181 103 D CA 0.099 54.057 54.000 -0.069 0.000 1.103 103 D CB 0.142 40.910 40.800 -0.053 0.000 1.168 103 D HN 0.064 nan 8.370 nan 0.000 0.552 104 L N -0.236 120.950 121.223 -0.061 0.000 2.286 104 L HA 0.521 4.862 4.340 0.000 0.000 0.265 104 L C -0.319 176.500 176.870 -0.085 0.000 1.012 104 L CA -0.972 53.828 54.840 -0.067 0.000 0.818 104 L CB 1.558 43.595 42.059 -0.037 0.000 1.337 104 L HN 0.039 nan 8.230 nan 0.000 0.438 105 V N 1.105 120.955 119.914 -0.107 0.000 2.656 105 V HA 0.626 4.746 4.120 0.000 0.000 0.307 105 V C -0.745 175.290 176.094 -0.098 0.000 1.051 105 V CA -0.701 61.525 62.300 -0.123 0.000 0.893 105 V CB 1.832 33.539 31.823 -0.195 0.000 0.999 105 V HN 0.789 nan 8.190 nan 0.000 0.426 106 R N 5.185 125.644 120.500 -0.069 0.000 2.207 106 R HA 0.700 5.040 4.340 0.000 0.000 0.334 106 R C -0.864 175.413 176.300 -0.039 0.000 1.013 106 R CA -0.280 55.796 56.100 -0.039 0.000 0.858 106 R CB 1.396 31.688 30.300 -0.012 0.000 1.094 106 R HN 0.838 nan 8.270 nan 0.000 0.457 107 V N 2.631 122.526 119.914 -0.032 0.000 2.769 107 V HA 0.596 4.716 4.120 0.000 0.000 0.312 107 V C -1.033 175.079 176.094 0.029 0.000 1.058 107 V CA -1.159 61.134 62.300 -0.012 0.000 0.952 107 V CB 1.717 33.528 31.823 -0.020 0.000 1.019 107 V HN 0.526 nan 8.190 nan 0.000 0.445 108 L N 3.914 125.162 121.223 0.042 0.000 2.317 108 L HA 0.733 5.073 4.340 0.000 0.000 0.281 108 L C -0.136 176.794 176.870 0.100 0.000 1.024 108 L CA -0.258 54.627 54.840 0.074 0.000 0.810 108 L CB 1.748 43.834 42.059 0.046 0.000 1.240 108 L HN 0.705 nan 8.230 nan 0.000 0.427 109 V N 4.201 124.222 119.914 0.178 0.000 2.540 109 V HA 0.643 4.763 4.120 0.000 0.000 0.302 109 V C -0.565 175.727 176.094 0.330 0.000 1.035 109 V CA -0.765 61.668 62.300 0.222 0.000 0.873 109 V CB 2.200 34.148 31.823 0.209 0.000 0.992 109 V HN 0.415 nan 8.190 nan 0.000 0.428 110 V N 3.416 123.480 119.914 0.250 0.000 2.531 110 V HA 0.820 4.940 4.120 0.000 0.000 0.301 110 V C 0.084 176.350 176.094 0.286 0.000 1.034 110 V CA -0.552 61.882 62.300 0.224 0.000 0.865 110 V CB 1.804 33.696 31.823 0.115 0.000 0.995 110 V HN 0.998 nan 8.190 nan 0.000 0.424 111 A N 4.888 127.927 122.820 0.366 0.000 2.304 111 A HA 0.900 5.220 4.320 0.000 0.000 0.314 111 A C -0.277 177.556 177.584 0.415 0.000 1.187 111 A CA -0.437 51.864 52.037 0.440 0.000 0.810 111 A CB 0.865 20.181 19.000 0.528 0.000 1.183 111 A HN 0.986 nan 8.150 nan 0.000 0.487 112 E N 0.953 121.389 120.200 0.394 0.000 2.458 112 E HA 0.800 5.150 4.350 0.000 0.000 0.278 112 E C -0.742 175.939 176.600 0.136 0.000 1.004 112 E CA -0.441 56.054 56.400 0.158 0.000 0.823 112 E CB 1.721 31.464 29.700 0.070 0.000 1.396 112 E HN 0.983 nan 8.360 nan 0.000 0.463 113 S N 0.194 115.822 115.700 -0.119 0.000 2.661 113 S HA 0.421 4.891 4.470 0.000 0.000 0.268 113 S C -1.119 173.399 174.600 -0.136 0.000 1.162 113 S CA -1.116 57.056 58.200 -0.047 0.000 0.817 113 S CB 0.743 63.985 63.200 0.071 0.000 1.141 113 S HN 0.512 nan 8.310 nan 0.000 0.477 114 N N 2.040 120.692 118.700 -0.080 0.000 2.530 114 N HA 0.291 5.031 4.740 0.000 0.000 0.273 114 N C -0.158 175.143 175.510 -0.348 0.000 1.173 114 N CA 0.251 53.220 53.050 -0.136 0.000 0.967 114 N CB 1.119 39.574 38.487 -0.054 0.000 1.109 114 N HN 0.856 nan 8.380 nan 0.000 0.453 115 T N -0.492 113.806 114.554 -0.427 0.000 2.761 115 T HA 0.311 4.661 4.350 0.000 0.000 0.296 115 T C -2.101 172.387 174.700 -0.354 0.000 0.934 115 T CA -1.312 60.342 62.100 -0.744 0.000 1.091 115 T CB 0.660 69.293 68.868 -0.392 0.000 0.896 115 T HN 0.295 nan 8.240 nan 0.000 0.515 116 P HA 0.217 nan 4.420 nan 0.000 0.274 116 P C 0.592 177.876 177.300 -0.026 0.000 1.231 116 P CA -0.541 62.523 63.100 -0.060 0.000 0.790 116 P CB 1.012 32.744 31.700 0.053 0.000 0.951 117 E N 0.242 120.439 120.200 -0.004 0.000 2.418 117 E HA -0.045 4.305 4.350 0.000 0.000 0.197 117 E C -0.209 176.412 176.600 0.036 0.000 1.026 117 E CA 0.497 56.904 56.400 0.012 0.000 0.862 117 E CB 0.025 29.729 29.700 0.007 0.000 0.799 117 E HN 0.332 nan 8.360 nan 0.000 0.518 118 E N 1.871 122.100 120.200 0.048 0.000 2.129 118 E HA 0.191 4.541 4.350 0.000 0.000 0.268 118 E C -0.909 175.754 176.600 0.105 0.000 0.900 118 E CA -0.621 55.816 56.400 0.062 0.000 0.755 118 E CB 1.712 31.438 29.700 0.043 0.000 1.117 118 E HN -0.053 nan 8.360 nan 0.000 0.410 119 T N 5.977 120.600 114.554 0.116 0.000 2.800 119 T HA 0.055 4.405 4.350 0.000 0.000 0.283 119 T C -1.696 173.103 174.700 0.165 0.000 0.999 119 T CA -0.497 61.699 62.100 0.161 0.000 1.176 119 T CB -0.153 68.787 68.868 0.121 0.000 0.973 119 T HN 0.274 nan 8.240 nan 0.000 0.519 120 P HA 0.243 nan 4.420 nan 0.000 0.274 120 P C 0.871 178.270 177.300 0.165 0.000 1.246 120 P CA -0.492 62.741 63.100 0.221 0.000 0.795 120 P CB 0.978 32.930 31.700 0.420 0.000 1.006 121 E N -0.044 120.219 120.200 0.104 0.000 2.077 121 E HA -0.113 4.237 4.350 0.000 0.000 0.193 121 E C 1.024 177.688 176.600 0.106 0.000 0.989 121 E CA 1.414 57.860 56.400 0.078 0.000 0.800 121 E CB 0.079 29.800 29.700 0.034 0.000 0.746 121 E HN 0.635 nan 8.360 nan 0.000 0.452 122 E N 0.634 120.929 120.200 0.158 0.000 2.370 122 E HA 0.292 4.642 4.350 0.000 0.000 0.259 122 E C -0.498 176.276 176.600 0.291 0.000 0.947 122 E CA -0.625 55.884 56.400 0.182 0.000 0.809 122 E CB 0.844 30.634 29.700 0.150 0.000 1.300 122 E HN -0.170 nan 8.360 nan 0.000 0.419 123 E N 0.103 120.439 120.200 0.227 0.000 2.373 123 E HA 0.170 4.520 4.350 0.000 0.000 0.263 123 E C -0.602 176.195 176.600 0.328 0.000 1.073 123 E CA -0.525 56.001 56.400 0.210 0.000 0.894 123 E CB 0.520 30.285 29.700 0.108 0.000 1.008 123 E HN 0.331 nan 8.360 nan 0.000 0.420 124 F N 3.674 123.620 119.950 -0.007 0.000 2.519 124 F HA 0.083 4.611 4.527 0.000 0.000 0.375 124 F C -0.853 174.990 175.800 0.071 0.000 1.084 124 F CA -0.089 57.809 58.000 -0.171 0.000 1.147 124 F CB -0.114 38.508 39.000 -0.631 0.000 1.088 124 F HN 0.315 nan 8.300 nan 0.000 0.555 125 Y N 5.293 125.318 120.300 -0.459 0.000 2.509 125 Y HA 0.753 5.303 4.550 -0.000 0.000 0.341 125 Y C -1.328 174.264 175.900 -0.514 0.000 1.038 125 Y CA -0.960 56.935 58.100 -0.342 0.000 1.089 125 Y CB 1.621 40.056 38.460 -0.042 0.000 1.241 125 Y HN 0.773 nan 8.280 nan 0.000 0.468 126 A N 4.374 126.397 122.820 -1.328 0.000 2.532 126 A HA 0.497 4.817 4.320 0.000 0.000 0.296 126 A C -2.710 174.372 177.584 -0.837 0.000 1.058 126 A CA -0.482 50.936 52.037 -1.032 0.000 0.729 126 A CB 0.541 19.084 19.000 -0.762 0.000 1.285 126 A HN 0.707 nan 8.150 nan 0.000 0.396 127 Y N 2.614 122.476 120.300 -0.730 0.000 2.326 127 Y HA 0.599 5.149 4.550 0.000 0.000 0.331 127 Y C -1.012 174.603 175.900 -0.474 0.000 0.962 127 Y CA -0.866 56.929 58.100 -0.508 0.000 1.167 127 Y CB 1.650 39.996 38.460 -0.190 0.000 1.148 127 Y HN 0.589 nan 8.280 nan 0.000 0.463 128 V N 6.585 125.756 119.914 -1.239 0.000 2.547 128 V HA 0.528 4.648 4.120 0.000 0.000 0.299 128 V C -0.739 174.774 176.094 -0.968 0.000 1.040 128 V CA -0.770 60.974 62.300 -0.927 0.000 0.913 128 V CB 1.687 33.036 31.823 -0.789 0.000 0.992 128 V HN 0.743 nan 8.190 nan 0.000 0.449 129 E N 4.547 124.420 120.200 -0.545 0.000 2.343 129 E HA 0.577 4.927 4.350 0.000 0.000 0.278 129 E C -1.925 174.583 176.600 -0.154 0.000 0.910 129 E CA -0.909 55.275 56.400 -0.361 0.000 0.757 129 E CB 2.555 32.086 29.700 -0.282 0.000 1.218 129 E HN 0.491 nan 8.360 nan 0.000 0.435 130 L N 2.716 123.904 121.223 -0.060 0.000 2.318 130 L HA 0.321 4.661 4.340 0.000 0.000 0.277 130 L C -0.217 176.708 176.870 0.092 0.000 1.008 130 L CA -0.665 54.197 54.840 0.036 0.000 0.846 130 L CB 1.334 43.420 42.059 0.045 0.000 1.220 130 L HN 0.567 nan 8.230 nan 0.000 0.423 131 Q N 1.950 121.780 119.800 0.050 0.000 2.282 131 Q HA 0.707 5.047 4.340 0.000 0.000 0.260 131 Q C -0.615 175.418 176.000 0.056 0.000 0.964 131 Q CA -0.760 55.055 55.803 0.020 0.000 0.880 131 Q CB 2.239 30.959 28.738 -0.031 0.000 1.286 131 Q HN 0.556 nan 8.270 nan 0.000 0.445 132 T N -1.680 112.898 114.554 0.040 0.000 2.942 132 T HA 0.237 4.587 4.350 0.000 0.000 0.289 132 T C 0.815 175.543 174.700 0.047 0.000 1.044 132 T CA -0.603 61.542 62.100 0.076 0.000 1.023 132 T CB 1.706 70.643 68.868 0.114 0.000 1.123 132 T HN 0.859 nan 8.240 nan 0.000 0.512 133 E N 0.010 120.258 120.200 0.081 0.000 2.113 133 E HA -0.217 4.133 4.350 0.000 0.000 0.210 133 E C 1.546 178.171 176.600 0.042 0.000 1.040 133 E CA 1.900 58.337 56.400 0.062 0.000 0.847 133 E CB -0.257 29.491 29.700 0.081 0.000 0.755 133 E HN 0.675 nan 8.360 nan 0.000 0.459 134 L N -1.620 119.644 121.223 0.069 0.000 2.130 134 L HA 0.061 4.401 4.340 0.000 0.000 0.200 134 L C 0.894 177.772 176.870 0.014 0.000 1.075 134 L CA 0.259 55.135 54.840 0.059 0.000 0.768 134 L CB 0.042 42.172 42.059 0.120 0.000 0.933 134 L HN 0.139 nan 8.230 nan 0.000 0.451 135 Y N -0.134 120.041 120.300 -0.209 0.000 2.429 135 Y HA 0.343 4.893 4.550 0.000 0.000 0.342 135 Y C -0.506 175.142 175.900 -0.420 0.000 1.004 135 Y CA -0.967 56.900 58.100 -0.389 0.000 1.075 135 Y CB 1.771 39.842 38.460 -0.648 0.000 1.214 135 Y HN -0.258 nan 8.280 nan 0.000 0.455 136 T N 7.390 121.306 114.554 -1.064 0.000 2.801 136 T HA 0.331 4.681 4.350 0.000 0.000 0.306 136 T C -1.012 173.235 174.700 -0.755 0.000 1.020 136 T CA -0.319 61.401 62.100 -0.634 0.000 0.948 136 T CB -0.607 68.018 68.868 -0.405 0.000 0.962 136 T HN 0.331 nan 8.240 nan 0.000 0.465 137 F N 2.634 122.443 119.950 -0.235 0.000 2.462 137 F HA 0.455 4.982 4.527 0.000 0.000 0.360 137 F C 1.339 177.060 175.800 -0.133 0.000 1.134 137 F CA -0.514 57.460 58.000 -0.043 0.000 1.148 137 F CB 0.410 39.421 39.000 0.019 0.000 1.147 137 F HN 0.543 nan 8.300 nan 0.000 0.550 138 G N 4.060 112.866 108.800 0.009 0.000 2.389 138 G HA2 0.521 4.481 3.960 0.000 0.000 0.317 138 G HA3 0.521 4.481 3.960 0.000 0.000 0.317 138 G C -0.774 174.060 174.900 -0.111 0.000 1.137 138 G CA -0.730 44.321 45.100 -0.082 0.000 0.870 138 G HN 0.395 nan 8.290 nan 0.000 0.496 139 L N 3.271 124.255 121.223 -0.399 0.000 2.352 139 L HA 0.220 4.560 4.340 0.000 0.000 0.272 139 L C 1.319 178.025 176.870 -0.275 0.000 1.109 139 L CA -0.274 54.278 54.840 -0.480 0.000 0.952 139 L CB -0.541 40.843 42.059 -1.125 0.000 1.314 139 L HN 0.690 nan 8.230 nan 0.000 0.427 140 S N 0.722 116.456 115.700 0.056 0.000 2.633 140 S HA 0.134 4.605 4.470 0.000 0.000 0.257 140 S C 0.859 175.626 174.600 0.277 0.000 1.265 140 S CA -0.392 57.925 58.200 0.195 0.000 0.980 140 S CB 1.177 64.467 63.200 0.150 0.000 1.017 140 S HN 0.487 nan 8.310 nan 0.000 0.577 141 D N 0.266 120.809 120.400 0.239 0.000 2.224 141 D HA 0.012 4.652 4.640 0.000 0.000 0.205 141 D C 1.103 177.515 176.300 0.185 0.000 0.965 141 D CA 0.936 55.074 54.000 0.230 0.000 0.852 141 D CB -0.274 40.617 40.800 0.151 0.000 0.947 141 D HN 0.531 nan 8.370 nan 0.000 0.494 142 D N -0.262 120.232 120.400 0.158 0.000 2.348 142 D HA -0.037 4.603 4.640 0.000 0.000 0.216 142 D C 0.845 177.235 176.300 0.151 0.000 0.970 142 D CA 0.490 54.565 54.000 0.126 0.000 0.889 142 D CB -0.051 40.809 40.800 0.099 0.000 0.912 142 D HN 0.245 nan 8.370 nan 0.000 0.524 143 N N -0.435 118.402 118.700 0.228 0.000 2.299 143 N HA 0.008 4.748 4.740 0.000 0.000 0.187 143 N C 0.014 175.706 175.510 0.304 0.000 1.099 143 N CA -0.012 53.196 53.050 0.264 0.000 0.867 143 N CB 0.825 39.484 38.487 0.286 0.000 0.974 143 N HN -0.122 nan 8.380 nan 0.000 0.477 144 V N 1.968 122.040 119.914 0.264 0.000 2.493 144 V HA -0.022 4.098 4.120 0.000 0.000 0.292 144 V C 1.336 177.426 176.094 -0.007 0.000 1.016 144 V CA 0.266 62.573 62.300 0.011 0.000 1.097 144 V CB 0.719 32.510 31.823 -0.054 0.000 0.947 144 V HN 0.177 nan 8.190 nan 0.000 0.479 145 V N 2.139 122.033 119.914 -0.033 0.000 3.477 145 V HA 0.550 4.670 4.120 0.000 0.000 0.297 145 V C -0.105 176.050 176.094 0.101 0.000 1.433 145 V CA 0.016 62.336 62.300 0.034 0.000 1.052 145 V CB -0.024 31.834 31.823 0.059 0.000 0.895 145 V HN 0.586 nan 8.190 nan 0.000 0.438 146 F N 1.138 120.980 119.950 -0.179 0.000 2.725 146 F HA 0.657 5.184 4.527 -0.000 0.000 0.311 146 F C -1.073 174.586 175.800 -0.236 0.000 1.121 146 F CA 0.370 58.267 58.000 -0.172 0.000 0.978 146 F CB 1.626 40.539 39.000 -0.145 0.000 1.274 146 F HN 0.142 nan 8.300 nan 0.000 0.440 147 T N 1.140 114.971 114.554 -1.205 0.000 2.982 147 T HA 0.799 5.149 4.350 0.000 0.000 0.321 147 T C -1.040 173.049 174.700 -1.018 0.000 1.229 147 T CA -0.224 61.360 62.100 -0.861 0.000 1.044 147 T CB 1.425 70.008 68.868 -0.476 0.000 1.184 147 T HN 1.104 nan 8.240 nan 0.000 0.477 148 S N 0.736 116.075 115.700 -0.601 0.000 2.794 148 S HA 0.551 5.021 4.470 0.000 0.000 0.299 148 S C -0.011 174.409 174.600 -0.301 0.000 1.179 148 S CA -0.832 57.134 58.200 -0.389 0.000 0.838 148 S CB 1.198 64.285 63.200 -0.189 0.000 1.206 148 S HN 0.544 nan 8.310 nan 0.000 0.523 149 D N -0.281 119.951 120.400 -0.281 0.000 2.218 149 D HA -0.016 4.624 4.640 0.000 0.000 0.204 149 D C -0.221 175.515 176.300 -0.940 0.000 0.976 149 D CA 1.725 55.429 54.000 -0.492 0.000 0.853 149 D CB -0.160 40.407 40.800 -0.389 0.000 0.939 149 D HN 0.599 nan 8.370 nan 0.000 0.481 150 Y N -0.744 119.329 120.300 -0.380 0.000 2.734 150 Y HA 0.404 4.954 4.550 -0.000 0.000 0.251 150 Y C -0.015 175.430 175.900 -0.759 0.000 1.049 150 Y CA -0.458 57.125 58.100 -0.863 0.000 1.103 150 Y CB 0.728 38.784 38.460 -0.673 0.000 1.201 150 Y HN -0.238 nan 8.280 nan 0.000 0.618 151 M N 0.607 120.011 119.600 -0.327 0.000 2.346 151 M HA 0.442 4.922 4.480 0.000 0.000 0.287 151 M C -1.900 174.348 176.300 -0.087 0.000 1.100 151 M CA 0.087 55.328 55.300 -0.098 0.000 0.950 151 M CB 1.671 34.274 32.600 0.005 0.000 1.815 151 M HN 0.051 nan 8.290 nan 0.000 0.497 152 T N 3.160 117.637 114.554 -0.129 0.000 2.893 152 T HA 0.713 5.063 4.350 0.000 0.000 0.293 152 T C -1.278 173.074 174.700 -0.579 0.000 1.027 152 T CA -0.559 61.246 62.100 -0.490 0.000 0.988 152 T CB 2.145 70.490 68.868 -0.871 0.000 1.043 152 T HN 0.433 nan 8.240 nan 0.000 0.461 153 V N 3.134 122.746 119.914 -0.503 0.000 2.487 153 V HA 0.541 4.661 4.120 0.000 0.000 0.298 153 V C -0.825 175.088 176.094 -0.301 0.000 1.028 153 V CA -0.915 61.239 62.300 -0.243 0.000 0.860 153 V CB 1.525 33.354 31.823 0.010 0.000 0.991 153 V HN 0.766 nan 8.190 nan 0.000 0.427 154 W N 4.698 126.022 121.300 0.040 0.000 2.706 154 W HA 0.696 5.357 4.660 0.001 0.000 0.346 154 W C -0.217 176.315 176.519 0.022 0.000 1.071 154 W CA -0.840 56.520 57.345 0.025 0.000 1.206 154 W CB 2.148 31.606 29.460 -0.004 0.000 1.413 154 W HN 0.436 nan 8.180 nan 0.000 0.542 155 M N 4.168 123.926 119.600 0.264 0.000 2.395 155 M HA 0.696 5.176 4.480 0.000 0.000 0.307 155 M C -1.955 174.422 176.300 0.130 0.000 1.091 155 M CA -0.533 54.859 55.300 0.154 0.000 0.919 155 M CB 2.550 35.217 32.600 0.112 0.000 1.662 155 M HN 0.530 nan 8.290 nan 0.000 0.440 156 I N 3.424 124.043 120.570 0.082 0.000 2.753 156 I HA 0.301 4.471 4.170 0.000 0.000 0.291 156 I C -1.755 174.368 176.117 0.010 0.000 1.425 156 I CA -0.552 60.785 61.300 0.062 0.000 1.039 156 I CB 2.284 40.328 38.000 0.074 0.000 1.349 156 I HN 0.666 nan 8.210 nan 0.000 0.430 157 D N 8.466 128.877 120.400 0.018 0.000 2.280 157 D HA 0.520 5.160 4.640 0.000 0.000 0.243 157 D C -0.448 175.820 176.300 -0.053 0.000 1.129 157 D CA 0.298 54.288 54.000 -0.017 0.000 0.848 157 D CB 1.692 42.498 40.800 0.011 0.000 1.107 157 D HN 0.315 nan 8.370 nan 0.000 0.471 158 I N 2.663 123.139 120.570 -0.156 0.000 2.569 158 I HA 0.254 4.424 4.170 0.000 0.000 0.296 158 I C -2.421 173.620 176.117 -0.127 0.000 1.028 158 I CA -2.532 58.589 61.300 -0.298 0.000 1.082 158 I CB 2.581 40.180 38.000 -0.667 0.000 1.264 158 I HN -0.092 nan 8.210 nan 0.000 0.429 159 P HA 0.116 nan 4.420 nan 0.000 0.267 159 P C 0.038 177.287 177.300 -0.084 0.000 1.205 159 P CA -0.189 62.907 63.100 -0.005 0.000 0.765 159 P CB 0.525 32.249 31.700 0.041 0.000 0.828 160 K N 1.641 121.961 120.400 -0.134 0.000 2.127 160 K HA -0.195 4.125 4.320 0.000 0.000 0.208 160 K C 1.912 178.409 176.600 -0.171 0.000 1.047 160 K CA 2.179 58.365 56.287 -0.169 0.000 0.927 160 K CB -0.537 31.861 32.500 -0.170 0.000 0.716 160 K HN 0.555 nan 8.250 nan 0.000 0.450 161 S N 0.338 115.916 115.700 -0.203 0.000 2.419 161 S HA -0.184 4.286 4.470 0.000 0.000 0.235 161 S C 1.834 176.313 174.600 -0.201 0.000 1.019 161 S CA 0.957 59.020 58.200 -0.228 0.000 0.982 161 S CB -0.505 62.511 63.200 -0.306 0.000 0.789 161 S HN 0.252 nan 8.310 nan 0.000 0.490 162 Y N 1.948 122.183 120.300 -0.109 0.000 2.314 162 Y HA 0.216 4.766 4.550 0.000 0.000 0.293 162 Y C 1.325 177.086 175.900 -0.231 0.000 1.129 162 Y CA -0.378 57.661 58.100 -0.102 0.000 1.201 162 Y CB -0.572 37.856 38.460 -0.052 0.000 0.999 162 Y HN 0.090 nan 8.280 nan 0.000 0.541 163 V N 2.520 122.331 119.914 -0.172 0.000 2.324 163 V HA 0.108 4.228 4.120 0.000 0.000 0.244 163 V C -0.221 175.460 176.094 -0.689 0.000 1.144 163 V CA 0.312 62.335 62.300 -0.461 0.000 1.158 163 V CB -0.903 30.709 31.823 -0.353 0.000 1.254 163 V HN 0.218 nan 8.190 nan 0.000 0.492 164 D N 1.993 121.867 120.400 -0.876 0.000 2.738 164 D HA 0.215 4.855 4.640 0.000 0.000 0.308 164 D C -0.600 175.525 176.300 -0.292 0.000 1.311 164 D CA -0.482 53.166 54.000 -0.588 0.000 0.799 164 D CB 2.460 43.156 40.800 -0.174 0.000 1.332 164 D HN 0.042 nan 8.370 nan 0.000 0.441 165 V N 1.015 121.004 119.914 0.124 0.000 2.843 165 V HA 0.383 4.503 4.120 0.000 0.000 0.305 165 V C 1.738 177.920 176.094 0.147 0.000 1.120 165 V CA 2.009 64.463 62.300 0.257 0.000 1.254 165 V CB 0.384 32.326 31.823 0.198 0.000 0.901 165 V HN 0.951 nan 8.190 nan 0.000 0.503 166 G N 3.643 112.548 108.800 0.176 0.000 2.792 166 G HA2 -0.228 3.732 3.960 0.000 0.000 0.201 166 G HA3 -0.228 3.732 3.960 0.000 0.000 0.201 166 G C 0.331 175.317 174.900 0.143 0.000 1.322 166 G CA 0.104 45.282 45.100 0.130 0.000 0.910 166 G HN 0.786 nan 8.290 nan 0.000 0.535 167 M N 2.170 121.854 119.600 0.140 0.000 2.284 167 M HA 0.522 5.002 4.480 0.000 0.000 0.351 167 M C -0.219 176.216 176.300 0.225 0.000 1.443 167 M CA 0.025 55.416 55.300 0.152 0.000 1.031 167 M CB 0.473 33.117 32.600 0.074 0.000 1.893 167 M HN 0.386 nan 8.290 nan 0.000 0.456 168 L N 5.231 126.545 121.223 0.151 0.000 2.334 168 L HA 0.542 4.883 4.340 0.000 0.000 0.275 168 L C -0.572 176.357 176.870 0.099 0.000 1.036 168 L CA 0.172 55.086 54.840 0.124 0.000 0.807 168 L CB 2.242 44.348 42.059 0.078 0.000 1.231 168 L HN 0.719 nan 8.230 nan 0.000 0.438 169 T N 4.616 119.217 114.554 0.077 0.000 2.809 169 T HA 0.481 4.831 4.350 0.000 0.000 0.296 169 T C -0.545 174.160 174.700 0.009 0.000 1.015 169 T CA -0.413 61.709 62.100 0.036 0.000 0.954 169 T CB 0.570 69.460 68.868 0.037 0.000 0.950 169 T HN 0.498 nan 8.240 nan 0.000 0.450 170 R N 2.205 122.690 120.500 -0.025 0.000 2.480 170 R HA 0.747 5.087 4.340 0.000 0.000 0.306 170 R C -1.475 174.784 176.300 -0.070 0.000 0.958 170 R CA -0.644 55.447 56.100 -0.016 0.000 0.861 170 R CB 1.099 31.399 30.300 0.000 0.000 1.171 170 R HN 0.677 nan 8.270 nan 0.000 0.445 171 A N 2.972 125.788 122.820 -0.005 0.000 2.343 171 A HA 0.503 4.823 4.320 0.000 0.000 0.308 171 A C -0.995 176.617 177.584 0.046 0.000 1.092 171 A CA -0.603 51.387 52.037 -0.079 0.000 0.751 171 A CB 1.890 20.888 19.000 -0.002 0.000 1.203 171 A HN 0.659 nan 8.150 nan 0.000 0.452 172 T N 2.988 117.504 114.554 -0.062 0.000 2.772 172 T HA 0.618 4.968 4.350 0.000 0.000 0.288 172 T C -0.802 173.941 174.700 0.072 0.000 0.994 172 T CA 0.193 62.384 62.100 0.151 0.000 0.951 172 T CB -0.081 68.918 68.868 0.218 0.000 0.933 172 T HN 0.367 nan 8.240 nan 0.000 0.447 173 F N 1.093 121.258 119.950 0.360 0.000 2.557 173 F HA 0.517 5.044 4.527 -0.000 0.000 0.336 173 F C 1.251 177.247 175.800 0.326 0.000 1.058 173 F CA -1.341 56.898 58.000 0.399 0.000 0.988 173 F CB 1.010 40.367 39.000 0.595 0.000 1.275 173 F HN 0.332 nan 8.300 nan 0.000 0.488 174 L N -0.330 121.222 121.223 0.548 0.000 2.209 174 L HA 0.151 4.491 4.340 0.000 0.000 0.207 174 L C 0.156 177.052 176.870 0.043 0.000 1.094 174 L CA 0.990 55.986 54.840 0.259 0.000 0.790 174 L CB -0.201 42.003 42.059 0.243 0.000 0.932 174 L HN 0.602 nan 8.230 nan 0.000 0.447 175 E N -1.004 119.148 120.200 -0.082 0.000 2.445 175 E HA 0.236 4.586 4.350 0.000 0.000 0.273 175 E C -0.871 175.299 176.600 -0.717 0.000 0.961 175 E CA -0.672 55.426 56.400 -0.503 0.000 0.807 175 E CB 1.019 30.227 29.700 -0.819 0.000 1.362 175 E HN -0.002 nan 8.360 nan 0.000 0.453 176 Q N 0.795 120.058 119.800 -0.895 0.000 3.179 176 Q HA 0.085 4.425 4.340 0.000 0.000 0.328 176 Q C -1.018 174.756 176.000 -0.376 0.000 1.336 176 Q CA -0.180 54.883 55.803 -1.235 0.000 0.939 176 Q CB -0.383 27.628 28.738 -1.212 0.000 1.658 176 Q HN 0.256 nan 8.270 nan 0.000 0.486 177 W N 2.039 123.304 121.300 -0.059 0.000 2.480 177 W HA -0.034 4.626 4.660 -0.000 0.000 0.337 177 W C -1.900 174.708 176.519 0.148 0.000 1.201 177 W CA -1.284 56.130 57.345 0.115 0.000 1.309 177 W CB -0.258 29.358 29.460 0.259 0.000 1.168 177 W HN 0.272 nan 8.180 nan 0.000 0.566 178 P HA 0.150 nan 4.420 nan 0.000 0.271 178 P C 0.654 178.053 177.300 0.165 0.000 1.220 178 P CA 0.848 64.063 63.100 0.190 0.000 0.768 178 P CB 0.780 32.543 31.700 0.105 0.000 0.848 179 G N 2.300 111.174 108.800 0.123 0.000 2.179 179 G HA2 -0.187 3.773 3.960 0.000 0.000 0.257 179 G HA3 -0.187 3.773 3.960 0.000 0.000 0.257 179 G C 0.459 175.390 174.900 0.053 0.000 1.010 179 G CA -0.038 45.095 45.100 0.056 0.000 0.736 179 G HN 0.834 nan 8.290 nan 0.000 0.513 180 A N -0.040 122.833 122.820 0.089 0.000 2.511 180 A HA 0.609 4.929 4.320 0.000 0.000 0.242 180 A C 0.657 178.207 177.584 -0.056 0.000 1.069 180 A CA 1.236 53.275 52.037 0.004 0.000 0.763 180 A CB 0.264 19.131 19.000 -0.222 0.000 1.001 180 A HN 1.580 nan 8.150 nan 0.000 0.498 181 K N 0.353 120.810 120.400 0.094 0.000 2.578 181 K HA 0.631 4.951 4.320 0.000 0.000 0.269 181 K C -1.890 174.834 176.600 0.207 0.000 0.941 181 K CA -0.879 55.458 56.287 0.083 0.000 0.847 181 K CB 1.591 34.098 32.500 0.011 0.000 1.397 181 K HN 0.288 nan 8.250 nan 0.000 0.422 182 V N 1.546 121.550 119.914 0.151 0.000 2.540 182 V HA 0.497 4.617 4.120 0.000 0.000 0.302 182 V C -0.759 175.371 176.094 0.061 0.000 1.035 182 V CA -0.486 61.906 62.300 0.153 0.000 0.873 182 V CB 1.958 33.864 31.823 0.139 0.000 0.992 182 V HN 0.926 nan 8.190 nan 0.000 0.428 183 T N 3.729 118.320 114.554 0.062 0.000 2.856 183 T HA 0.636 4.986 4.350 0.000 0.000 0.283 183 T C -0.644 174.069 174.700 0.022 0.000 1.008 183 T CA -0.485 61.615 62.100 0.000 0.000 0.997 183 T CB 1.936 70.790 68.868 -0.022 0.000 0.992 183 T HN 0.330 nan 8.240 nan 0.000 0.454 184 V N 4.069 123.978 119.914 -0.008 0.000 2.349 184 V HA 0.359 4.479 4.120 0.000 0.000 0.284 184 V C -0.245 175.870 176.094 0.035 0.000 1.014 184 V CA -0.666 61.660 62.300 0.043 0.000 0.826 184 V CB 1.182 33.063 31.823 0.096 0.000 1.009 184 V HN 0.882 nan 8.190 nan 0.000 0.431 185 M N 6.354 125.971 119.600 0.029 0.000 2.108 185 M HA 0.494 4.974 4.480 0.000 0.000 0.347 185 M C -0.675 175.655 176.300 0.050 0.000 1.326 185 M CA 0.237 55.546 55.300 0.014 0.000 1.126 185 M CB 0.548 33.140 32.600 -0.012 0.000 1.606 185 M HN 0.439 nan 8.290 nan 0.000 0.462 186 I N 6.654 127.294 120.570 0.117 0.000 2.359 186 I HA 0.335 4.505 4.170 0.000 0.000 0.284 186 I C -2.117 173.980 176.117 -0.033 0.000 1.018 186 I CA -1.994 59.335 61.300 0.049 0.000 1.173 186 I CB 1.189 39.292 38.000 0.172 0.000 1.326 186 I HN 0.355 nan 8.210 nan 0.000 0.462 187 P HA 0.117 nan 4.420 nan 0.000 0.287 187 P C -0.511 176.695 177.300 -0.157 0.000 1.294 187 P CA -0.036 63.035 63.100 -0.048 0.000 0.776 187 P CB 0.774 32.453 31.700 -0.035 0.000 0.889 188 Y N 1.536 121.912 120.300 0.125 0.000 2.500 188 Y HA 0.070 4.620 4.550 0.000 0.000 0.270 188 Y C 1.636 177.583 175.900 0.077 0.000 1.134 188 Y CA 0.708 58.831 58.100 0.039 0.000 1.293 188 Y CB 0.637 39.180 38.460 0.138 0.000 1.063 188 Y HN 0.464 nan 8.280 nan 0.000 0.534 189 S N -2.328 113.532 115.700 0.266 0.000 2.661 189 S HA 0.169 4.639 4.470 0.000 0.000 0.268 189 S C 0.817 175.520 174.600 0.172 0.000 1.162 189 S CA -0.208 58.123 58.200 0.218 0.000 0.817 189 S CB 0.630 63.996 63.200 0.277 0.000 1.141 189 S HN 0.037 nan 8.310 nan 0.000 0.477 190 S N 0.084 115.868 115.700 0.140 0.000 2.447 190 S HA -0.023 4.447 4.470 0.000 0.000 0.233 190 S C 1.348 176.019 174.600 0.119 0.000 1.006 190 S CA 1.552 59.813 58.200 0.102 0.000 0.957 190 S CB -1.125 62.124 63.200 0.083 0.000 0.773 190 S HN 1.571 nan 8.310 nan 0.000 0.507 191 T N -2.724 111.937 114.554 0.178 0.000 3.145 191 T HA 0.455 4.805 4.350 0.000 0.000 0.281 191 T C -0.497 174.380 174.700 0.295 0.000 1.003 191 T CA -0.658 61.560 62.100 0.197 0.000 0.901 191 T CB -0.436 68.547 68.868 0.192 0.000 1.112 191 T HN 0.296 nan 8.240 nan 0.000 0.535 192 F N 1.983 122.012 119.950 0.132 0.000 2.671 192 F HA 0.585 5.112 4.527 0.000 0.000 0.332 192 F C -1.180 174.713 175.800 0.155 0.000 1.189 192 F CA -0.366 57.718 58.000 0.140 0.000 0.988 192 F CB 1.864 40.972 39.000 0.179 0.000 1.258 192 F HN -0.059 nan 8.300 nan 0.000 0.471 193 T N 4.905 119.165 114.554 -0.490 0.000 2.829 193 T HA 0.266 4.616 4.350 0.000 0.000 0.280 193 T C -1.814 172.613 174.700 -0.454 0.000 0.999 193 T CA -0.345 61.581 62.100 -0.289 0.000 0.983 193 T CB 1.160 69.940 68.868 -0.147 0.000 0.968 193 T HN 0.605 nan 8.240 nan 0.000 0.446 194 W N 3.336 124.465 121.300 -0.284 0.000 2.587 194 W HA 0.572 5.232 4.660 0.000 0.000 0.324 194 W C -1.232 175.255 176.519 -0.054 0.000 1.040 194 W CA -0.789 56.450 57.345 -0.176 0.000 1.222 194 W CB 0.897 30.436 29.460 0.132 0.000 1.381 194 W HN 0.589 nan 8.180 nan 0.000 0.483 195 c N 5.437 123.694 118.600 -0.572 0.000 2.281 195 c HA 0.693 5.263 4.570 0.000 0.000 0.323 195 c C 0.877 174.404 174.090 -0.939 0.000 1.270 195 c CA -0.635 55.372 56.329 -0.537 0.000 1.559 195 c CB 0.026 42.329 42.510 -0.344 0.000 2.239 195 c HN 0.837 nan 8.230 nan 0.000 0.488 196 G N 2.576 110.944 108.800 -0.719 0.000 2.320 196 G HA2 0.506 4.466 3.960 0.000 0.000 0.300 196 G HA3 0.506 4.466 3.960 0.000 0.000 0.300 196 G C -0.766 173.947 174.900 -0.312 0.000 1.126 196 G CA 0.000 44.708 45.100 -0.654 0.000 0.896 196 G HN 0.813 nan 8.290 nan 0.000 0.436 197 E N 2.434 122.465 120.200 -0.282 0.000 2.212 197 E HA 0.508 4.858 4.350 0.000 0.000 0.268 197 E C -0.912 175.616 176.600 -0.120 0.000 0.902 197 E CA -0.743 55.559 56.400 -0.164 0.000 0.779 197 E CB 1.455 31.060 29.700 -0.160 0.000 1.172 197 E HN 0.332 nan 8.360 nan 0.000 0.409 198 L N 3.751 124.928 121.223 -0.077 0.000 2.353 198 L HA 0.488 4.828 4.340 0.000 0.000 0.270 198 L C 0.118 176.939 176.870 -0.081 0.000 1.003 198 L CA -0.795 54.001 54.840 -0.073 0.000 0.862 198 L CB 1.733 43.763 42.059 -0.049 0.000 1.221 198 L HN 0.607 nan 8.230 nan 0.000 0.430 199 G N 2.292 111.029 108.800 -0.106 0.000 2.377 199 G HA2 0.585 4.545 3.960 0.000 0.000 0.316 199 G HA3 0.585 4.545 3.960 0.000 0.000 0.316 199 G C 0.220 174.994 174.900 -0.211 0.000 1.115 199 G CA -0.302 44.720 45.100 -0.130 0.000 0.952 199 G HN 0.688 nan 8.290 nan 0.000 0.441 200 A N 2.486 125.085 122.820 -0.369 0.000 2.520 200 A HA 0.560 4.880 4.320 0.000 0.000 0.235 200 A C 0.616 177.964 177.584 -0.392 0.000 1.065 200 A CA 0.205 51.855 52.037 -0.645 0.000 0.764 200 A CB -0.029 18.079 19.000 -1.487 0.000 1.002 200 A HN 1.213 nan 8.150 nan 0.000 0.502 201 I N -1.717 118.657 120.570 -0.326 0.000 3.457 201 I HA 0.579 4.750 4.170 0.000 0.000 0.307 201 I C 0.109 176.259 176.117 0.055 0.000 1.138 201 I CA -1.047 60.205 61.300 -0.082 0.000 0.974 201 I CB 1.397 39.373 38.000 -0.040 0.000 1.324 201 I HN 0.412 nan 8.210 nan 0.000 0.485 202 S N 1.109 116.884 115.700 0.126 0.000 2.558 202 S HA 0.009 4.479 4.470 0.000 0.000 0.288 202 S C 0.951 175.657 174.600 0.177 0.000 1.318 202 S CA -0.188 58.124 58.200 0.185 0.000 1.056 202 S CB 0.508 63.773 63.200 0.108 0.000 0.853 202 S HN 0.676 nan 8.310 nan 0.000 0.505 203 E N 2.023 122.351 120.200 0.214 0.000 2.085 203 E HA -0.238 4.112 4.350 0.000 0.000 0.194 203 E C 2.105 178.766 176.600 0.103 0.000 0.994 203 E CA 1.460 57.964 56.400 0.173 0.000 0.801 203 E CB -0.111 29.673 29.700 0.139 0.000 0.743 203 E HN 0.835 nan 8.360 nan 0.000 0.453 204 E N 1.615 121.864 120.200 0.082 0.000 2.038 204 E HA -0.135 4.215 4.350 0.000 0.000 0.195 204 E C 1.156 177.786 176.600 0.050 0.000 1.000 204 E CA 1.020 57.454 56.400 0.056 0.000 0.803 204 E CB -0.481 29.247 29.700 0.047 0.000 0.750 204 E HN 0.098 nan 8.360 nan 0.000 0.448 205 S N 1.236 116.967 115.700 0.052 0.000 2.569 205 S HA 0.346 4.816 4.470 0.000 0.000 0.274 205 S C 0.221 174.841 174.600 0.034 0.000 1.353 205 S CA -0.403 57.822 58.200 0.040 0.000 1.023 205 S CB 1.069 64.293 63.200 0.040 0.000 0.876 205 S HN 0.517 nan 8.310 nan 0.000 0.540 206 A N 1.847 124.682 122.820 0.026 0.000 2.279 206 A HA 0.719 5.039 4.320 0.000 0.000 0.303 206 A C -2.462 175.128 177.584 0.010 0.000 1.108 206 A CA -2.182 49.866 52.037 0.020 0.000 0.830 206 A CB -0.677 18.333 19.000 0.018 0.000 1.106 206 A HN 0.692 nan 8.150 nan 0.000 0.493 207 P HA 0.060 nan 4.420 nan 0.000 0.264 207 P C -0.914 176.379 177.300 -0.011 0.000 1.179 207 P CA 0.604 63.701 63.100 -0.006 0.000 0.763 207 P CB 0.217 31.915 31.700 -0.002 0.000 0.806 208 Q N 3.728 123.515 119.800 -0.021 0.000 2.644 208 Q HA 0.262 4.602 4.340 0.000 0.000 0.245 208 Q C -2.177 173.801 176.000 -0.036 0.000 1.064 208 Q CA -1.847 53.939 55.803 -0.028 0.000 0.860 208 Q CB 0.985 29.709 28.738 -0.022 0.000 1.145 208 Q HN 0.398 nan 8.270 nan 0.000 0.515 209 P HA -0.013 nan 4.420 nan 0.000 0.275 209 P C -0.182 177.096 177.300 -0.038 0.000 1.228 209 P CA -0.022 63.061 63.100 -0.028 0.000 0.786 209 P CB 1.317 33.009 31.700 -0.014 0.000 0.927 210 S N 2.397 118.075 115.700 -0.038 0.000 2.614 210 S HA 0.157 4.627 4.470 0.000 0.000 0.265 210 S C 0.519 175.094 174.600 -0.043 0.000 1.303 210 S CA -0.796 57.377 58.200 -0.046 0.000 1.000 210 S CB 0.163 63.337 63.200 -0.044 0.000 0.935 210 S HN 0.415 nan 8.310 nan 0.000 0.551 211 L N 2.606 123.795 121.223 -0.057 0.000 2.400 211 L HA 0.376 4.716 4.340 0.000 0.000 0.262 211 L C -0.499 176.298 176.870 -0.122 0.000 1.309 211 L CA 0.514 55.316 54.840 -0.064 0.000 1.186 211 L CB -1.355 40.669 42.059 -0.060 0.000 1.375 211 L HN 0.682 nan 8.230 nan 0.000 0.433 212 S N 2.780 118.436 115.700 -0.075 0.000 2.519 212 S HA 0.914 5.384 4.470 0.000 0.000 0.309 212 S C -0.261 174.328 174.600 -0.018 0.000 1.100 212 S CA -0.329 57.822 58.200 -0.082 0.000 1.059 212 S CB 1.629 64.823 63.200 -0.010 0.000 1.008 212 S HN 0.764 nan 8.310 nan 0.000 0.478 213 A N 2.833 125.657 122.820 0.007 0.000 2.423 213 A HA 0.870 5.190 4.320 0.000 0.000 0.304 213 A C -0.645 176.993 177.584 0.090 0.000 1.104 213 A CA -0.861 51.237 52.037 0.101 0.000 0.757 213 A CB 1.416 20.553 19.000 0.229 0.000 1.313 213 A HN 0.745 nan 8.150 nan 0.000 0.423 214 R N 0.749 121.284 120.500 0.059 0.000 2.480 214 R HA 0.599 4.939 4.340 0.000 0.000 0.306 214 R C -1.297 174.995 176.300 -0.014 0.000 0.958 214 R CA -0.025 56.087 56.100 0.019 0.000 0.861 214 R CB 1.550 31.860 30.300 0.017 0.000 1.171 214 R HN 0.723 nan 8.270 nan 0.000 0.445 215 S N 5.478 121.141 115.700 -0.062 0.000 2.659 215 S HA 0.496 4.966 4.470 0.000 0.000 0.312 215 S C -2.581 171.899 174.600 -0.201 0.000 1.114 215 S CA -1.598 56.537 58.200 -0.108 0.000 1.063 215 S CB 1.629 64.773 63.200 -0.094 0.000 0.996 215 S HN 0.524 nan 8.310 nan 0.000 0.478 216 P HA 0.177 nan 4.420 nan 0.000 0.266 216 P C 0.988 178.158 177.300 -0.216 0.000 1.586 216 P CA -0.333 62.604 63.100 -0.272 0.000 1.088 216 P CB 0.837 32.384 31.700 -0.256 0.000 1.584 217 V N 2.151 121.902 119.914 -0.270 0.000 2.469 217 V HA -0.200 3.920 4.120 0.000 0.000 0.251 217 V C 1.424 177.468 176.094 -0.083 0.000 1.064 217 V CA 1.802 63.989 62.300 -0.188 0.000 1.066 217 V CB -0.743 30.910 31.823 -0.284 0.000 0.667 217 V HN 0.553 nan 8.190 nan 0.000 0.461 218 c N 0.899 119.463 118.600 -0.059 0.000 2.508 218 c HA 0.354 4.924 4.570 0.000 0.000 0.330 218 c C 0.824 174.951 174.090 0.063 0.000 1.435 218 c CA -1.431 54.916 56.329 0.030 0.000 1.712 218 c CB -1.810 40.746 42.510 0.077 0.000 2.741 218 c HN 0.377 nan 8.230 nan 0.000 0.562 219 K N 1.996 122.396 120.400 -0.001 0.000 2.518 219 K HA -0.056 4.264 4.320 0.000 0.000 0.276 219 K C 0.796 177.365 176.600 -0.053 0.000 0.974 219 K CA 0.596 56.839 56.287 -0.073 0.000 0.986 219 K CB 0.121 32.554 32.500 -0.112 0.000 0.901 219 K HN 0.507 nan 8.250 nan 0.000 0.497 220 N N 1.136 119.770 118.700 -0.110 0.000 2.667 220 N HA -0.204 4.536 4.740 0.000 0.000 0.263 220 N C 0.381 175.787 175.510 -0.174 0.000 1.038 220 N CA 0.902 53.867 53.050 -0.141 0.000 0.749 220 N CB -0.939 37.445 38.487 -0.171 0.000 0.892 220 N HN 0.609 nan 8.380 nan 0.000 0.546 221 S N -0.774 114.813 115.700 -0.187 0.000 2.462 221 S HA -0.166 4.304 4.470 0.000 0.000 0.243 221 S C 2.032 176.400 174.600 -0.386 0.000 1.003 221 S CA 0.954 58.924 58.200 -0.384 0.000 0.970 221 S CB -0.366 62.305 63.200 -0.882 0.000 0.762 221 S HN 0.696 nan 8.310 nan 0.000 0.510 222 A N 2.293 124.965 122.820 -0.247 0.000 2.019 222 A HA -0.034 4.286 4.320 0.000 0.000 0.219 222 A C 2.246 179.739 177.584 -0.152 0.000 1.164 222 A CA 1.280 53.225 52.037 -0.152 0.000 0.644 222 A CB -0.751 18.195 19.000 -0.090 0.000 0.805 222 A HN 0.598 nan 8.150 nan 0.000 0.449 223 R N -1.439 118.886 120.500 -0.291 0.000 2.127 223 R HA -0.177 4.163 4.340 0.000 0.000 0.238 223 R C 0.836 176.885 176.300 -0.419 0.000 1.134 223 R CA 1.744 57.616 56.100 -0.380 0.000 0.975 223 R CB -0.312 29.529 30.300 -0.764 0.000 0.865 223 R HN 0.579 nan 8.270 nan 0.000 0.447 224 Y N 0.426 120.627 120.300 -0.165 0.000 2.461 224 Y HA 0.070 4.620 4.550 0.000 0.000 0.277 224 Y C 2.282 178.192 175.900 0.017 0.000 1.182 224 Y CA 0.487 58.445 58.100 -0.236 0.000 1.276 224 Y CB 0.210 38.467 38.460 -0.338 0.000 1.087 224 Y HN 0.191 nan 8.280 nan 0.000 0.519 225 S N -1.092 114.674 115.700 0.109 0.000 2.399 225 S HA -0.094 4.376 4.470 0.000 0.000 0.231 225 S C 1.108 175.793 174.600 0.142 0.000 1.022 225 S CA 1.127 59.409 58.200 0.136 0.000 0.983 225 S CB -0.784 62.461 63.200 0.074 0.000 0.803 225 S HN 0.396 nan 8.310 nan 0.000 0.480 226 T N -1.247 113.394 114.554 0.145 0.000 2.858 226 T HA 0.608 4.958 4.350 0.000 0.000 0.285 226 T C 0.573 175.402 174.700 0.214 0.000 1.052 226 T CA -0.158 62.015 62.100 0.122 0.000 1.009 226 T CB 1.423 70.308 68.868 0.028 0.000 1.241 226 T HN 0.211 nan 8.240 nan 0.000 0.542 227 S N -1.184 114.569 115.700 0.088 0.000 2.605 227 S HA 0.135 4.605 4.470 0.000 0.000 0.217 227 S C 1.577 176.150 174.600 -0.045 0.000 0.958 227 S CA -0.149 58.058 58.200 0.011 0.000 0.919 227 S CB -0.453 62.694 63.200 -0.088 0.000 0.780 227 S HN 0.788 nan 8.310 nan 0.000 0.507 228 K N 1.103 121.451 120.400 -0.087 0.000 2.059 228 K HA -0.136 4.184 4.320 0.000 0.000 0.212 228 K C 0.370 176.780 176.600 -0.317 0.000 1.050 228 K CA 1.694 57.806 56.287 -0.291 0.000 0.927 228 K CB -0.284 31.888 32.500 -0.546 0.000 0.714 228 K HN 0.484 nan 8.250 nan 0.000 0.447 229 F N 0.014 120.015 119.950 0.085 0.000 2.660 229 F HA 0.123 4.650 4.527 0.000 0.000 0.302 229 F C 1.804 177.659 175.800 0.092 0.000 1.103 229 F CA -0.550 57.505 58.000 0.091 0.000 1.340 229 F CB -0.360 38.697 39.000 0.095 0.000 1.048 229 F HN 0.096 nan 8.300 nan 0.000 0.551 230 C N 0.111 119.440 119.300 0.049 0.000 2.398 230 C HA -0.221 4.239 4.460 0.000 0.000 0.276 230 C C 2.872 177.833 174.990 -0.050 0.000 1.222 230 C CA 1.393 60.286 59.018 -0.209 0.000 1.746 230 C CB -0.561 26.972 27.740 -0.346 0.000 2.039 230 C HN 0.435 nan 8.230 nan 0.000 0.470 231 E N 0.398 120.594 120.200 -0.007 0.000 2.047 231 E HA -0.117 4.233 4.350 0.000 0.000 0.191 231 E C 2.116 178.751 176.600 0.059 0.000 0.987 231 E CA 0.956 57.364 56.400 0.013 0.000 0.799 231 E CB -0.251 29.451 29.700 0.004 0.000 0.752 231 E HN 0.382 nan 8.360 nan 0.000 0.449 232 V N 1.458 121.440 119.914 0.113 0.000 2.490 232 V HA -0.207 3.914 4.120 0.000 0.000 0.250 232 V C 1.113 177.277 176.094 0.117 0.000 1.061 232 V CA 1.973 64.350 62.300 0.127 0.000 1.064 232 V CB -0.364 31.580 31.823 0.202 0.000 0.670 232 V HN 0.242 nan 8.190 nan 0.000 0.461 233 D N -0.305 120.190 120.400 0.159 0.000 2.354 233 D HA 0.163 4.804 4.640 0.000 0.000 0.209 233 D C 1.729 178.103 176.300 0.125 0.000 1.015 233 D CA 1.058 55.160 54.000 0.170 0.000 0.867 233 D CB 0.504 41.498 40.800 0.324 0.000 0.933 233 D HN 0.503 nan 8.370 nan 0.000 0.520 234 G N 0.722 109.571 108.800 0.082 0.000 2.149 234 G HA2 -0.277 3.683 3.960 0.000 0.000 0.235 234 G HA3 -0.277 3.683 3.960 0.000 0.000 0.235 234 G C 0.235 175.162 174.900 0.046 0.000 1.018 234 G CA -0.002 45.129 45.100 0.052 0.000 0.728 234 G HN 0.361 nan 8.290 nan 0.000 0.508 235 c N 2.113 120.727 118.600 0.025 0.000 2.170 235 c HA 0.798 5.368 4.570 0.000 0.000 0.339 235 c C 0.819 174.858 174.090 -0.086 0.000 1.056 235 c CA 0.081 56.404 56.329 -0.010 0.000 1.535 235 c CB -0.959 41.540 42.510 -0.018 0.000 1.785 235 c HN 0.918 nan 8.230 nan 0.000 0.440 236 T N -1.470 113.063 114.554 -0.035 0.000 2.812 236 T HA 0.667 5.017 4.350 0.000 0.000 0.294 236 T C 0.936 175.628 174.700 -0.013 0.000 1.159 236 T CA 0.110 62.184 62.100 -0.043 0.000 1.008 236 T CB 1.311 70.155 68.868 -0.040 0.000 1.289 236 T HN 0.310 nan 8.240 nan 0.000 0.514 237 A N 0.981 123.792 122.820 -0.015 0.000 1.883 237 A HA -0.116 4.204 4.320 0.000 0.000 0.217 237 A C 2.207 179.787 177.584 -0.008 0.000 1.186 237 A CA 2.021 54.054 52.037 -0.006 0.000 0.624 237 A CB -1.120 17.874 19.000 -0.009 0.000 0.822 237 A HN 0.947 nan 8.150 nan 0.000 0.444 238 E N 0.424 120.618 120.200 -0.009 0.000 2.049 238 E HA -0.254 4.096 4.350 0.000 0.000 0.198 238 E C 1.979 178.576 176.600 -0.004 0.000 1.007 238 E CA 2.033 58.429 56.400 -0.007 0.000 0.809 238 E CB -1.682 28.014 29.700 -0.006 0.000 0.749 238 E HN 0.713 nan 8.360 nan 0.000 0.450 239 T N -2.150 112.404 114.554 -0.001 0.000 3.007 239 T HA 0.151 4.501 4.350 0.000 0.000 0.270 239 T C 1.510 176.211 174.700 0.002 0.000 1.107 239 T CA 1.153 63.256 62.100 0.005 0.000 1.118 239 T CB -0.453 68.423 68.868 0.013 0.000 0.889 239 T HN 0.534 nan 8.240 nan 0.000 0.506 240 G N 1.820 110.618 108.800 -0.002 0.000 2.182 240 G HA2 -0.222 3.738 3.960 0.000 0.000 0.248 240 G HA3 -0.222 3.738 3.960 0.000 0.000 0.248 240 G C 0.441 175.338 174.900 -0.005 0.000 1.042 240 G CA -0.058 45.032 45.100 -0.015 0.000 0.775 240 G HN 0.599 nan 8.290 nan 0.000 0.501 241 M N -1.345 118.274 119.600 0.032 0.000 2.249 241 M HA -0.147 4.333 4.480 0.000 0.000 0.198 241 M C 0.069 176.407 176.300 0.062 0.000 0.394 241 M CA 1.258 56.606 55.300 0.080 0.000 0.427 241 M CB -2.180 30.512 32.600 0.153 0.000 1.307 241 M HN 0.716 nan 8.290 nan 0.000 0.924 242 E N 0.229 120.456 120.200 0.046 0.000 2.255 242 E HA 0.484 4.834 4.350 0.000 0.000 0.256 242 E C -0.039 176.589 176.600 0.047 0.000 0.887 242 E CA -0.679 55.745 56.400 0.039 0.000 0.782 242 E CB 1.688 31.399 29.700 0.018 0.000 1.214 242 E HN 0.099 nan 8.360 nan 0.000 0.417 243 K N 4.652 125.088 120.400 0.060 0.000 2.646 243 K HA 0.261 4.582 4.320 0.000 0.000 0.210 243 K C -1.028 175.598 176.600 0.043 0.000 1.020 243 K CA -0.461 55.862 56.287 0.059 0.000 1.040 243 K CB 0.332 32.888 32.500 0.093 0.000 1.253 243 K HN 0.375 nan 8.250 nan 0.000 0.532 244 M N 1.929 121.544 119.600 0.024 0.000 2.235 244 M HA 0.349 4.829 4.480 0.000 0.000 0.351 244 M C -0.132 176.166 176.300 -0.003 0.000 1.178 244 M CA -0.269 55.036 55.300 0.008 0.000 1.143 244 M CB 0.879 33.478 32.600 -0.001 0.000 1.530 244 M HN 0.635 nan 8.290 nan 0.000 0.461 245 S N 2.290 117.978 115.700 -0.020 0.000 2.571 245 S HA 0.609 5.079 4.470 0.000 0.000 0.284 245 S C -0.791 173.772 174.600 -0.063 0.000 1.128 245 S CA -1.047 57.134 58.200 -0.032 0.000 0.970 245 S CB 1.819 65.001 63.200 -0.029 0.000 1.039 245 S HN 0.595 nan 8.310 nan 0.000 0.485 246 L N 3.105 124.293 121.223 -0.058 0.000 2.540 246 L HA 0.276 4.617 4.340 0.000 0.000 0.276 246 L C 0.493 177.278 176.870 -0.141 0.000 1.212 246 L CA 0.326 55.117 54.840 -0.082 0.000 0.893 246 L CB -0.106 41.930 42.059 -0.038 0.000 1.138 246 L HN 0.947 nan 8.230 nan 0.000 0.491 247 L N 2.248 123.317 121.223 -0.257 0.000 2.286 247 L HA 0.122 4.462 4.340 0.000 0.000 0.203 247 L C 0.796 177.448 176.870 -0.363 0.000 1.068 247 L CA 0.143 54.693 54.840 -0.484 0.000 0.811 247 L CB -0.168 41.269 42.059 -1.036 0.000 0.989 247 L HN 0.610 nan 8.230 nan 0.000 0.467 248 T N 3.315 117.738 114.554 -0.219 0.000 2.829 248 T HA 0.114 4.464 4.350 0.000 0.000 0.293 248 T C -2.118 172.617 174.700 0.059 0.000 0.970 248 T CA -0.801 61.326 62.100 0.045 0.000 1.168 248 T CB 0.433 69.334 68.868 0.054 0.000 0.911 248 T HN 0.067 nan 8.240 nan 0.000 0.535 249 P HA 0.112 nan 4.420 nan 0.000 0.274 249 P C 0.937 178.307 177.300 0.116 0.000 1.256 249 P CA -0.686 62.480 63.100 0.110 0.000 0.795 249 P CB 0.634 32.401 31.700 0.112 0.000 1.038 250 F N 1.926 121.885 119.950 0.015 0.000 2.045 250 F HA -0.154 4.373 4.527 0.000 0.000 0.297 250 F C 1.982 177.790 175.800 0.013 0.000 1.114 250 F CA 2.708 60.715 58.000 0.011 0.000 1.207 250 F CB -1.133 37.871 39.000 0.007 0.000 0.964 250 F HN 0.417 nan 8.300 nan 0.000 0.486 251 G N -0.288 108.387 108.800 -0.208 0.000 3.448 251 G HA2 0.374 4.334 3.960 0.000 0.000 0.261 251 G HA3 0.374 4.334 3.960 0.000 0.000 0.261 251 G C 0.726 175.538 174.900 -0.146 0.000 1.173 251 G CA 0.168 45.089 45.100 -0.298 0.000 0.835 251 G HN 0.719 nan 8.290 nan 0.000 0.534 252 G N 0.478 109.222 108.800 -0.093 0.000 2.588 252 G HA2 0.473 4.433 3.960 0.000 0.000 0.278 252 G HA3 0.473 4.433 3.960 0.000 0.000 0.278 252 G C -1.897 172.974 174.900 -0.049 0.000 1.307 252 G CA -0.855 44.224 45.100 -0.036 0.000 1.016 252 G HN 0.154 nan 8.290 nan 0.000 0.503 253 P HA 0.112 nan 4.420 nan 0.000 0.272 253 P C -1.704 175.585 177.300 -0.019 0.000 1.243 253 P CA -0.643 62.449 63.100 -0.013 0.000 0.803 253 P CB 0.250 31.954 31.700 0.007 0.000 0.974 254 P HA 0.016 nan 4.420 nan 0.000 0.252 254 P C -0.266 177.028 177.300 -0.011 0.000 1.265 254 P CA 0.738 63.828 63.100 -0.017 0.000 0.775 254 P CB 0.442 32.136 31.700 -0.009 0.000 1.128 255 Q N 0.156 119.955 119.800 -0.002 0.000 2.309 255 Q HA 0.418 4.758 4.340 0.000 0.000 0.264 255 Q C -0.487 175.518 176.000 0.007 0.000 1.008 255 Q CA -0.329 55.471 55.803 -0.004 0.000 0.853 255 Q CB 2.068 30.806 28.738 -0.000 0.000 1.314 255 Q HN 0.014 nan 8.270 nan 0.000 0.448 256 Q N 1.113 120.908 119.800 -0.009 0.000 2.333 256 Q HA 0.784 5.124 4.340 0.000 0.000 0.268 256 Q C -1.614 174.373 176.000 -0.022 0.000 1.007 256 Q CA -0.663 55.134 55.803 -0.010 0.000 0.810 256 Q CB 1.298 30.024 28.738 -0.020 0.000 1.264 256 Q HN 0.736 nan 8.270 nan 0.000 0.452 257 A N 4.227 127.028 122.820 -0.033 0.000 2.337 257 A HA 0.764 5.084 4.320 0.000 0.000 0.329 257 A C -1.142 176.351 177.584 -0.151 0.000 1.146 257 A CA -0.605 51.388 52.037 -0.075 0.000 0.800 257 A CB 1.233 20.209 19.000 -0.040 0.000 1.220 257 A HN 0.755 nan 8.150 nan 0.000 0.472 258 K N 1.047 121.376 120.400 -0.118 0.000 2.477 258 K HA 0.633 4.954 4.320 0.000 0.000 0.255 258 K C -0.926 175.621 176.600 -0.088 0.000 0.952 258 K CA -0.514 55.706 56.287 -0.112 0.000 0.826 258 K CB 2.475 34.937 32.500 -0.065 0.000 1.331 258 K HN 0.900 nan 8.250 nan 0.000 0.437 259 M N -0.083 119.468 119.600 -0.081 0.000 2.664 259 M HA 0.541 5.021 4.480 0.000 0.000 0.314 259 M C -0.845 175.452 176.300 -0.004 0.000 1.200 259 M CA -0.743 54.534 55.300 -0.039 0.000 0.916 259 M CB 1.768 34.331 32.600 -0.062 0.000 1.717 259 M HN 0.327 nan 8.290 nan 0.000 0.470 260 N N 0.356 119.077 118.700 0.035 0.000 2.342 260 N HA 0.419 5.159 4.740 0.000 0.000 0.293 260 N C 0.005 175.565 175.510 0.084 0.000 1.026 260 N CA -0.313 52.769 53.050 0.053 0.000 0.857 260 N CB 1.946 40.464 38.487 0.053 0.000 1.256 260 N HN 0.857 nan 8.380 nan 0.000 0.484 261 T N -1.229 113.374 114.554 0.081 0.000 3.044 261 T HA 0.050 4.400 4.350 0.000 0.000 0.250 261 T C 1.650 176.403 174.700 0.090 0.000 1.081 261 T CA 0.187 62.333 62.100 0.076 0.000 1.040 261 T CB -0.668 68.242 68.868 0.070 0.000 0.962 261 T HN 0.492 nan 8.240 nan 0.000 0.506 262 c N 2.356 121.053 118.600 0.162 0.000 2.419 262 c HA 0.075 4.645 4.570 0.000 0.000 0.281 262 c C -0.188 174.072 174.090 0.283 0.000 1.336 262 c CA 0.256 56.749 56.329 0.272 0.000 1.770 262 c CB -1.378 41.272 42.510 0.234 0.000 1.929 262 c HN 0.474 nan 8.230 nan 0.000 0.509 263 P HA -0.052 nan 4.420 nan 0.000 0.221 263 P C 1.326 178.674 177.300 0.080 0.000 1.145 263 P CA 1.221 64.405 63.100 0.139 0.000 0.795 263 P CB -0.356 31.322 31.700 -0.037 0.000 0.775 264 c N -2.581 115.980 118.600 -0.066 0.000 2.413 264 c HA -0.171 4.399 4.570 0.000 0.000 0.277 264 c C 2.361 176.336 174.090 -0.192 0.000 1.265 264 c CA 0.724 56.880 56.329 -0.289 0.000 1.752 264 c CB -2.012 39.829 42.510 -1.114 0.000 1.998 264 c HN 0.229 nan 8.230 nan 0.000 0.489 265 Y N -0.670 119.591 120.300 -0.066 0.000 2.181 265 Y HA -0.182 4.368 4.550 0.000 0.000 0.288 265 Y C 2.355 178.210 175.900 -0.075 0.000 1.146 265 Y CA 1.950 60.066 58.100 0.025 0.000 1.164 265 Y CB -0.811 37.620 38.460 -0.047 0.000 0.982 265 Y HN 0.370 nan 8.280 nan 0.000 0.515 266 Y N -0.210 120.178 120.300 0.147 0.000 2.421 266 Y HA -0.187 4.364 4.550 0.000 0.000 0.292 266 Y C 2.390 178.273 175.900 -0.029 0.000 1.136 266 Y CA 1.454 59.583 58.100 0.048 0.000 1.255 266 Y CB -0.241 38.216 38.460 -0.006 0.000 0.991 266 Y HN 0.046 nan 8.280 nan 0.000 0.552 267 K N -0.932 119.479 120.400 0.018 0.000 2.137 267 K HA -0.107 4.213 4.320 0.000 0.000 0.202 267 K C 0.659 177.053 176.600 -0.344 0.000 1.052 267 K CA 1.354 57.500 56.287 -0.236 0.000 0.961 267 K CB -0.060 32.180 32.500 -0.432 0.000 0.741 267 K HN 0.303 nan 8.250 nan 0.000 0.452 268 Y N -0.440 119.900 120.300 0.067 0.000 2.426 268 Y HA 0.261 4.811 4.550 0.000 0.000 0.249 268 Y C 0.613 176.569 175.900 0.094 0.000 1.103 268 Y CA -0.433 57.720 58.100 0.089 0.000 1.256 268 Y CB 0.760 39.290 38.460 0.117 0.000 1.208 268 Y HN -0.125 nan 8.280 nan 0.000 0.519 269 S N 1.216 117.053 115.700 0.229 0.000 2.516 269 S HA 0.156 4.626 4.470 0.000 0.000 0.282 269 S C 1.093 175.756 174.600 0.104 0.000 1.286 269 S CA -0.193 58.113 58.200 0.177 0.000 1.066 269 S CB 0.642 63.937 63.200 0.158 0.000 0.884 269 S HN 0.262 nan 8.310 nan 0.000 0.491 270 V N 2.661 122.631 119.914 0.094 0.000 3.621 270 V HA 0.392 4.512 4.120 0.000 0.000 0.285 270 V C 0.675 176.793 176.094 0.040 0.000 1.346 270 V CA -0.248 62.089 62.300 0.061 0.000 1.104 270 V CB -0.199 31.659 31.823 0.059 0.000 0.913 270 V HN 0.574 nan 8.190 nan 0.000 0.432 271 S N 1.643 117.367 115.700 0.039 0.000 2.565 271 S HA 0.615 5.085 4.470 0.000 0.000 0.290 271 S C -2.497 172.097 174.600 -0.010 0.000 1.150 271 S CA -0.811 57.396 58.200 0.013 0.000 1.058 271 S CB 1.424 64.631 63.200 0.012 0.000 1.032 271 S HN 0.278 nan 8.310 nan 0.000 0.510 272 P HA 0.150 nan 4.420 nan 0.000 0.262 272 P C -1.058 176.207 177.300 -0.059 0.000 1.182 272 P CA 0.284 63.369 63.100 -0.026 0.000 0.761 272 P CB 0.317 32.006 31.700 -0.018 0.000 0.795 273 L N 5.038 126.220 121.223 -0.069 0.000 2.319 273 L HA 0.541 4.882 4.340 0.000 0.000 0.267 273 L C -1.970 174.895 176.870 -0.009 0.000 1.011 273 L CA -2.327 52.437 54.840 -0.126 0.000 0.818 273 L CB 1.244 43.086 42.059 -0.361 0.000 1.316 273 L HN 0.203 nan 8.230 nan 0.000 0.432 274 P HA 0.163 nan 4.420 nan 0.000 0.268 274 P C -0.848 176.531 177.300 0.132 0.000 1.205 274 P CA -0.278 62.859 63.100 0.063 0.000 0.771 274 P CB 0.686 32.417 31.700 0.053 0.000 0.858 275 A N 3.959 126.822 122.820 0.072 0.000 2.450 275 A HA 0.538 4.858 4.320 0.000 0.000 0.255 275 A C -0.124 177.468 177.584 0.014 0.000 1.096 275 A CA 0.099 52.170 52.037 0.056 0.000 0.778 275 A CB -0.234 18.782 19.000 0.026 0.000 1.031 275 A HN 0.424 nan 8.150 nan 0.000 0.494 276 M N 1.622 121.203 119.600 -0.032 0.000 2.501 276 M HA 0.195 4.675 4.480 0.000 0.000 0.293 276 M C 0.136 176.362 176.300 -0.124 0.000 1.192 276 M CA -0.504 54.721 55.300 -0.124 0.000 0.886 276 M CB 1.829 34.286 32.600 -0.237 0.000 1.710 276 M HN 0.906 nan 8.290 nan 0.000 0.457 277 D N 0.655 120.980 120.400 -0.125 0.000 2.162 277 D HA -0.039 4.601 4.640 0.000 0.000 0.203 277 D C 0.070 176.401 176.300 0.052 0.000 0.967 277 D CA 1.666 55.669 54.000 0.006 0.000 0.840 277 D CB 0.558 41.442 40.800 0.140 0.000 0.972 277 D HN 0.657 nan 8.370 nan 0.000 0.482 278 H N -2.490 116.511 119.070 -0.115 0.000 2.981 278 H HA 0.438 4.994 4.556 0.000 0.000 0.327 278 H C -1.305 173.920 175.328 -0.172 0.000 1.342 278 H CA -1.029 54.936 56.048 -0.139 0.000 1.123 278 H CB 0.207 29.908 29.762 -0.101 0.000 1.851 278 H HN -0.079 nan 8.280 nan 0.000 0.531 279 L N 1.281 122.432 121.223 -0.121 0.000 2.370 279 L HA 0.496 4.836 4.340 0.000 0.000 0.266 279 L C -0.154 176.695 176.870 -0.036 0.000 1.002 279 L CA -1.041 53.695 54.840 -0.174 0.000 0.818 279 L CB 2.558 44.461 42.059 -0.261 0.000 1.325 279 L HN 0.448 nan 8.230 nan 0.000 0.418 280 I N 2.982 123.539 120.570 -0.020 0.000 2.297 280 I HA 0.145 4.315 4.170 0.000 0.000 0.291 280 I C 0.887 177.009 176.117 0.008 0.000 1.033 280 I CA -0.251 61.059 61.300 0.016 0.000 1.253 280 I CB 1.417 39.433 38.000 0.026 0.000 1.396 280 I HN 0.611 nan 8.210 nan 0.000 0.476 281 L N 6.122 127.351 121.223 0.011 0.000 2.209 281 L HA 0.270 4.610 4.340 0.000 0.000 0.207 281 L C 0.889 177.794 176.870 0.059 0.000 1.094 281 L CA 0.432 55.301 54.840 0.049 0.000 0.790 281 L CB -0.181 41.913 42.059 0.057 0.000 0.932 281 L HN 0.764 nan 8.230 nan 0.000 0.447 282 A N -0.166 122.671 122.820 0.029 0.000 2.549 282 A HA 0.523 4.843 4.320 0.000 0.000 0.291 282 A C -2.014 175.567 177.584 -0.005 0.000 1.034 282 A CA -0.688 51.355 52.037 0.010 0.000 0.655 282 A CB 1.037 20.046 19.000 0.015 0.000 1.299 282 A HN 0.133 nan 8.150 nan 0.000 0.427 283 D N -0.793 119.595 120.400 -0.020 0.000 2.583 283 D HA 0.703 5.343 4.640 0.000 0.000 0.248 283 D C -1.295 174.979 176.300 -0.043 0.000 1.209 283 D CA -0.429 53.552 54.000 -0.033 0.000 0.848 283 D CB 1.462 42.243 40.800 -0.031 0.000 1.431 283 D HN 0.987 nan 8.370 nan 0.000 0.436 284 L N 0.188 121.374 121.223 -0.063 0.000 2.436 284 L HA 0.844 5.184 4.340 0.000 0.000 0.268 284 L C -1.477 175.331 176.870 -0.103 0.000 0.974 284 L CA -0.407 54.391 54.840 -0.070 0.000 0.826 284 L CB 1.674 43.690 42.059 -0.071 0.000 1.291 284 L HN 0.860 nan 8.230 nan 0.000 0.406 285 A N 2.729 125.499 122.820 -0.082 0.000 2.356 285 A HA 0.834 5.154 4.320 0.000 0.000 0.323 285 A C 0.634 178.168 177.584 -0.085 0.000 1.119 285 A CA 0.109 52.093 52.037 -0.088 0.000 0.790 285 A CB 1.404 20.370 19.000 -0.057 0.000 1.273 285 A HN 1.864 nan 8.150 nan 0.000 0.452 286 G N -0.213 108.533 108.800 -0.090 0.000 2.159 286 G HA2 -0.149 3.811 3.960 0.000 0.000 0.170 286 G HA3 -0.149 3.811 3.960 0.000 0.000 0.170 286 G C 0.635 175.485 174.900 -0.083 0.000 1.007 286 G CA 0.174 45.236 45.100 -0.063 0.000 0.672 286 G HN 0.695 nan 8.290 nan 0.000 0.507 287 L N 0.428 121.541 121.223 -0.184 0.000 2.191 287 L HA -0.011 4.329 4.340 0.000 0.000 0.212 287 L C 2.167 179.073 176.870 0.060 0.000 1.103 287 L CA 1.497 56.154 54.840 -0.305 0.000 0.769 287 L CB -0.317 41.267 42.059 -0.791 0.000 0.908 287 L HN 0.123 nan 8.230 nan 0.000 0.438 288 D N -0.395 120.049 120.400 0.073 0.000 2.351 288 D HA -0.114 4.526 4.640 0.000 0.000 0.216 288 D C 1.868 178.252 176.300 0.140 0.000 0.968 288 D CA 1.464 55.554 54.000 0.149 0.000 0.899 288 D CB 0.115 40.964 40.800 0.081 0.000 0.907 288 D HN 0.436 nan 8.370 nan 0.000 0.514 289 S N -0.869 114.900 115.700 0.115 0.000 2.780 289 S HA 0.154 4.624 4.470 0.000 0.000 0.248 289 S C 0.249 174.918 174.600 0.115 0.000 1.036 289 S CA -0.625 57.632 58.200 0.095 0.000 1.061 289 S CB 0.315 63.546 63.200 0.051 0.000 1.037 289 S HN -0.012 nan 8.310 nan 0.000 0.584 290 L N 3.771 125.104 121.223 0.183 0.000 2.305 290 L HA 0.521 4.861 4.340 0.000 0.000 0.281 290 L C 0.869 177.894 176.870 0.260 0.000 1.085 290 L CA 0.606 55.569 54.840 0.206 0.000 0.813 290 L CB 1.322 43.496 42.059 0.192 0.000 1.157 290 L HN 0.371 nan 8.230 nan 0.000 0.436 291 T N -0.644 114.003 114.554 0.155 0.000 3.214 291 T HA 0.395 4.745 4.350 0.000 0.000 0.264 291 T C 0.196 174.940 174.700 0.073 0.000 1.012 291 T CA 0.170 62.324 62.100 0.090 0.000 0.901 291 T CB -0.503 68.393 68.868 0.046 0.000 1.070 291 T HN 0.635 nan 8.240 nan 0.000 0.561 292 S N 0.177 115.962 115.700 0.143 0.000 2.625 292 S HA 0.761 5.231 4.470 0.000 0.000 0.271 292 S C -3.388 171.339 174.600 0.212 0.000 1.161 292 S CA -1.472 56.801 58.200 0.122 0.000 0.820 292 S CB 1.622 64.891 63.200 0.116 0.000 1.137 292 S HN 0.092 nan 8.310 nan 0.000 0.470 293 P HA 0.455 nan 4.420 nan 0.000 0.276 293 P C -0.983 176.425 177.300 0.180 0.000 1.252 293 P CA -0.497 62.711 63.100 0.179 0.000 0.802 293 P CB 0.742 32.441 31.700 -0.002 0.000 1.035 294 V N 2.122 122.102 119.914 0.110 0.000 2.435 294 V HA 0.293 4.413 4.120 0.000 0.000 0.290 294 V C -0.432 175.667 176.094 0.008 0.000 1.030 294 V CA -0.385 61.972 62.300 0.095 0.000 0.881 294 V CB 0.611 32.445 31.823 0.017 0.000 0.983 294 V HN 0.415 nan 8.190 nan 0.000 0.445 295 Y N 2.736 123.115 120.300 0.131 0.000 2.409 295 Y HA 0.704 5.254 4.550 0.000 0.000 0.339 295 Y C -0.027 175.895 175.900 0.035 0.000 1.033 295 Y CA -0.758 57.413 58.100 0.119 0.000 1.094 295 Y CB 2.214 40.830 38.460 0.259 0.000 1.210 295 Y HN 0.349 nan 8.280 nan 0.000 0.456 296 V N 5.035 125.015 119.914 0.109 0.000 2.577 296 V HA 0.415 4.536 4.120 0.000 0.000 0.303 296 V C -0.614 175.437 176.094 -0.071 0.000 1.042 296 V CA -0.912 61.401 62.300 0.022 0.000 0.872 296 V CB 1.765 33.596 31.823 0.012 0.000 0.998 296 V HN 0.817 nan 8.190 nan 0.000 0.423 297 M N 4.391 123.914 119.600 -0.129 0.000 2.383 297 M HA 0.872 5.352 4.480 0.000 0.000 0.325 297 M C -0.481 175.764 176.300 -0.092 0.000 1.092 297 M CA -0.385 54.797 55.300 -0.198 0.000 0.961 297 M CB 1.771 34.137 32.600 -0.390 0.000 1.672 297 M HN 0.762 nan 8.290 nan 0.000 0.438 298 A N 3.352 126.142 122.820 -0.050 0.000 2.340 298 A HA 0.947 5.267 4.320 0.000 0.000 0.331 298 A C -1.186 176.371 177.584 -0.045 0.000 1.140 298 A CA -0.676 51.356 52.037 -0.008 0.000 0.801 298 A CB 1.311 20.314 19.000 0.005 0.000 1.234 298 A HN 0.965 nan 8.150 nan 0.000 0.469 299 A N 1.233 123.992 122.820 -0.101 0.000 2.343 299 A HA 0.858 5.178 4.320 0.000 0.000 0.316 299 A C -0.881 176.640 177.584 -0.105 0.000 1.104 299 A CA -0.453 51.363 52.037 -0.368 0.000 0.768 299 A CB 0.513 19.239 19.000 -0.456 0.000 1.213 299 A HN 1.962 nan 8.150 nan 0.000 0.456 300 Y N -0.547 119.561 120.300 -0.320 0.000 2.677 300 Y HA 0.750 5.300 4.550 0.000 0.000 0.334 300 Y C -1.869 173.920 175.900 -0.185 0.000 1.196 300 Y CA -2.263 55.687 58.100 -0.250 0.000 1.059 300 Y CB 0.463 38.867 38.460 -0.093 0.000 1.315 300 Y HN 0.424 nan 8.280 nan 0.000 0.455 301 F N 1.611 121.604 119.950 0.072 0.000 2.399 301 F HA 0.382 4.909 4.527 0.000 0.000 0.334 301 F C 0.405 176.337 175.800 0.221 0.000 1.097 301 F CA -0.464 57.577 58.000 0.069 0.000 1.076 301 F CB 1.061 40.089 39.000 0.045 0.000 1.162 301 F HN 0.626 nan 8.300 nan 0.000 0.495 302 D N 0.397 121.047 120.400 0.416 0.000 2.414 302 D HA 0.058 4.698 4.640 0.000 0.000 0.242 302 D C 0.872 177.301 176.300 0.214 0.000 1.129 302 D CA 0.238 54.395 54.000 0.262 0.000 0.885 302 D CB 0.976 41.828 40.800 0.087 0.000 1.198 302 D HN 0.472 nan 8.370 nan 0.000 0.437 303 S N 0.854 116.648 115.700 0.155 0.000 2.660 303 S HA -0.014 4.456 4.470 0.000 0.000 0.223 303 S C 0.796 175.446 174.600 0.083 0.000 0.963 303 S CA -0.065 58.199 58.200 0.106 0.000 0.932 303 S CB -1.057 62.186 63.200 0.071 0.000 0.775 303 S HN 0.566 nan 8.310 nan 0.000 0.531 304 T N 0.189 114.791 114.554 0.082 0.000 2.855 304 T HA 0.131 4.481 4.350 0.000 0.000 0.314 304 T C -0.119 174.634 174.700 0.089 0.000 1.077 304 T CA -0.375 61.772 62.100 0.078 0.000 1.095 304 T CB 0.087 68.992 68.868 0.062 0.000 0.987 304 T HN 0.503 nan 8.240 nan 0.000 0.546 305 H N 1.532 120.611 119.070 0.014 0.000 2.668 305 H HA 0.337 4.893 4.556 0.000 0.000 0.303 305 H C 0.265 175.595 175.328 0.003 0.000 1.074 305 H CA -0.616 55.435 56.048 0.005 0.000 1.406 305 H CB 0.427 30.191 29.762 0.004 0.000 1.442 305 H HN 0.741 nan 8.280 nan 0.000 0.482 306 E N 3.743 123.645 120.200 -0.497 0.000 2.235 306 E HA 0.166 4.516 4.350 0.000 0.000 0.265 306 E C -0.571 175.730 176.600 -0.499 0.000 0.940 306 E CA -1.266 54.891 56.400 -0.405 0.000 0.819 306 E CB 1.144 30.725 29.700 -0.198 0.000 1.206 306 E HN 0.547 nan 8.360 nan 0.000 0.409 307 N N 1.910 120.440 118.700 -0.284 0.000 2.411 307 N HA 0.008 4.748 4.740 0.000 0.000 0.265 307 N C -1.759 173.672 175.510 -0.131 0.000 1.266 307 N CA -1.154 51.791 53.050 -0.175 0.000 0.889 307 N CB 0.837 39.267 38.487 -0.095 0.000 1.069 307 N HN 0.253 nan 8.380 nan 0.000 0.476 308 P HA -0.082 nan 4.420 nan 0.000 0.220 308 P C 1.231 178.505 177.300 -0.043 0.000 1.148 308 P CA 0.607 63.676 63.100 -0.052 0.000 0.803 308 P CB 0.417 32.110 31.700 -0.012 0.000 0.782 309 V N -0.866 119.026 119.914 -0.038 0.000 2.667 309 V HA -0.076 4.044 4.120 0.000 0.000 0.252 309 V C 1.495 177.566 176.094 -0.038 0.000 1.065 309 V CA 1.168 63.450 62.300 -0.030 0.000 1.083 309 V CB -0.786 31.023 31.823 -0.022 0.000 0.692 309 V HN 0.082 nan 8.190 nan 0.000 0.468 310 R N 0.596 121.065 120.500 -0.052 0.000 2.687 310 R HA 0.268 4.608 4.340 0.000 0.000 0.264 310 R C -2.937 173.317 176.300 -0.076 0.000 1.715 310 R CA -1.488 54.578 56.100 -0.056 0.000 1.633 310 R CB 1.241 31.514 30.300 -0.046 0.000 1.353 310 R HN 0.195 nan 8.270 nan 0.000 0.653 311 P HA -0.048 nan 4.420 nan 0.000 0.257 311 P C -0.467 176.759 177.300 -0.124 0.000 1.269 311 P CA 0.434 63.464 63.100 -0.117 0.000 1.122 311 P CB 0.810 32.438 31.700 -0.120 0.000 1.285 312 S N 2.852 118.486 115.700 -0.110 0.000 2.509 312 S HA 0.127 4.597 4.470 0.000 0.000 0.287 312 S C 0.701 175.231 174.600 -0.116 0.000 1.248 312 S CA -0.334 57.814 58.200 -0.087 0.000 1.089 312 S CB -0.395 62.775 63.200 -0.051 0.000 0.900 312 S HN 0.370 nan 8.310 nan 0.000 0.496 313 S N 3.822 119.456 115.700 -0.110 0.000 2.694 313 S HA 0.307 4.777 4.470 0.000 0.000 0.211 313 S C -0.356 174.301 174.600 0.095 0.000 1.328 313 S CA -0.900 57.229 58.200 -0.118 0.000 1.236 313 S CB 0.074 63.174 63.200 -0.166 0.000 1.121 313 S HN 0.665 nan 8.310 nan 0.000 0.517 314 K N 1.980 122.413 120.400 0.055 0.000 2.349 314 K HA 0.395 4.715 4.320 0.000 0.000 0.288 314 K C -0.560 175.920 176.600 -0.200 0.000 1.058 314 K CA -0.643 55.578 56.287 -0.110 0.000 0.953 314 K CB 0.256 32.635 32.500 -0.201 0.000 0.997 314 K HN 0.460 nan 8.250 nan 0.000 0.477 315 L N 5.854 126.887 121.223 -0.317 0.000 2.312 315 L HA 0.404 4.744 4.340 0.000 0.000 0.281 315 L C -1.388 175.093 176.870 -0.649 0.000 1.070 315 L CA -0.006 54.543 54.840 -0.485 0.000 0.805 315 L CB 0.357 42.157 42.059 -0.432 0.000 1.174 315 L HN 0.661 nan 8.230 nan 0.000 0.434 316 Y N 2.637 122.641 120.300 -0.494 0.000 2.602 316 Y HA 0.620 5.170 4.550 0.000 0.000 0.330 316 Y C -0.559 175.127 175.900 -0.357 0.000 1.114 316 Y CA -0.538 57.309 58.100 -0.422 0.000 1.182 316 Y CB 1.590 39.632 38.460 -0.697 0.000 1.305 316 Y HN 0.568 nan 8.280 nan 0.000 0.502 317 H N -0.409 118.706 119.070 0.075 0.000 2.856 317 H HA 0.625 5.182 4.556 0.000 0.000 0.355 317 H C -1.348 174.097 175.328 0.195 0.000 1.079 317 H CA -1.143 54.986 56.048 0.135 0.000 1.240 317 H CB 1.351 31.206 29.762 0.155 0.000 1.701 317 H HN 0.840 nan 8.280 nan 0.000 0.527 318 c N 1.492 120.249 118.600 0.261 0.000 2.797 318 c HA 0.995 5.565 4.570 0.000 0.000 0.306 318 c C -0.355 173.752 174.090 0.028 0.000 1.207 318 c CA -0.978 55.453 56.329 0.170 0.000 1.507 318 c CB 0.691 43.299 42.510 0.163 0.000 2.028 318 c HN 0.971 nan 8.230 nan 0.000 0.475 319 A N 2.987 125.799 122.820 -0.013 0.000 2.343 319 A HA 0.809 5.129 4.320 0.000 0.000 0.308 319 A C -0.881 176.712 177.584 0.015 0.000 1.092 319 A CA -0.461 51.485 52.037 -0.151 0.000 0.751 319 A CB 0.652 19.310 19.000 -0.571 0.000 1.203 319 A HN 0.976 nan 8.150 nan 0.000 0.452 320 L N 1.264 122.489 121.223 0.004 0.000 2.352 320 L HA 0.627 4.967 4.340 0.000 0.000 0.269 320 L C 0.218 177.084 176.870 -0.005 0.000 1.034 320 L CA -0.565 54.287 54.840 0.019 0.000 0.806 320 L CB 1.805 43.860 42.059 -0.008 0.000 1.244 320 L HN 0.849 nan 8.230 nan 0.000 0.447 321 Q N 2.077 121.839 119.800 -0.064 0.000 2.323 321 Q HA 0.491 4.831 4.340 0.000 0.000 0.271 321 Q C -1.502 174.437 176.000 -0.102 0.000 1.048 321 Q CA -0.821 54.837 55.803 -0.243 0.000 0.792 321 Q CB 2.520 31.043 28.738 -0.358 0.000 1.280 321 Q HN 0.536 nan 8.270 nan 0.000 0.441 322 M N 2.631 122.186 119.600 -0.074 0.000 2.114 322 M HA 0.458 4.938 4.480 0.000 0.000 0.332 322 M C -1.487 174.946 176.300 0.222 0.000 1.014 322 M CA 0.264 55.623 55.300 0.098 0.000 0.956 322 M CB 1.836 34.485 32.600 0.082 0.000 1.551 322 M HN 0.567 nan 8.290 nan 0.000 0.427 323 T N 1.806 116.458 114.554 0.164 0.000 2.906 323 T HA 0.530 4.880 4.350 0.000 0.000 0.295 323 T C -1.083 173.229 174.700 -0.647 0.000 1.075 323 T CA -0.827 61.179 62.100 -0.157 0.000 1.005 323 T CB 1.798 70.496 68.868 -0.283 0.000 1.136 323 T HN 0.544 nan 8.240 nan 0.000 0.498 324 S N 1.370 116.339 115.700 -1.220 0.000 2.457 324 S HA 0.406 4.876 4.470 0.000 0.000 0.289 324 S C -1.139 172.881 174.600 -0.966 0.000 1.163 324 S CA -0.655 56.715 58.200 -1.383 0.000 1.078 324 S CB -0.019 62.196 63.200 -1.642 0.000 0.987 324 S HN 0.646 nan 8.310 nan 0.000 0.482 325 H N 3.475 122.332 119.070 -0.354 0.000 2.800 325 H HA 0.267 4.823 4.556 0.000 0.000 0.322 325 H C -0.468 174.759 175.328 -0.169 0.000 0.979 325 H CA -0.342 55.585 56.048 -0.202 0.000 1.277 325 H CB 0.983 30.666 29.762 -0.131 0.000 1.484 325 H HN 0.770 nan 8.280 nan 0.000 0.512 326 D N 2.841 123.209 120.400 -0.054 0.000 2.708 326 D HA -0.179 4.461 4.640 0.000 0.000 0.236 326 D C 1.278 177.531 176.300 -0.077 0.000 1.146 326 D CA 1.554 55.523 54.000 -0.052 0.000 0.662 326 D CB -0.877 39.913 40.800 -0.016 0.000 1.059 326 D HN 1.173 nan 8.370 nan 0.000 0.428 327 G N -1.961 106.748 108.800 -0.153 0.000 2.179 327 G HA2 -0.326 3.634 3.960 0.000 0.000 0.260 327 G HA3 -0.326 3.634 3.960 0.000 0.000 0.260 327 G C 0.359 175.177 174.900 -0.136 0.000 0.977 327 G CA 0.389 45.403 45.100 -0.144 0.000 0.641 327 G HN 0.602 nan 8.290 nan 0.000 0.533 328 V N -0.158 119.667 119.914 -0.149 0.000 2.417 328 V HA 0.655 4.775 4.120 0.000 0.000 0.291 328 V C -0.039 175.993 176.094 -0.102 0.000 1.024 328 V CA -0.993 61.281 62.300 -0.042 0.000 0.861 328 V CB 1.160 32.999 31.823 0.027 0.000 0.985 328 V HN 0.276 nan 8.190 nan 0.000 0.436 329 W N 3.203 124.504 121.300 0.001 0.000 2.338 329 W HA 0.621 5.282 4.660 0.000 0.000 0.307 329 W C 0.622 177.153 176.519 0.020 0.000 1.167 329 W CA -0.178 57.157 57.345 -0.017 0.000 1.208 329 W CB 1.595 31.037 29.460 -0.031 0.000 1.228 329 W HN 0.693 nan 8.180 nan 0.000 0.499 330 T N -0.315 114.394 114.554 0.258 0.000 2.896 330 T HA 0.683 5.034 4.350 0.000 0.000 0.297 330 T C -0.718 174.081 174.700 0.164 0.000 1.108 330 T CA -0.934 61.281 62.100 0.192 0.000 1.004 330 T CB 1.877 70.847 68.868 0.170 0.000 1.159 330 T HN 0.243 nan 8.240 nan 0.000 0.499 331 S N 0.749 116.510 115.700 0.101 0.000 2.621 331 S HA 0.734 5.204 4.470 0.000 0.000 0.302 331 S C 0.175 174.803 174.600 0.046 0.000 1.093 331 S CA -0.482 57.757 58.200 0.064 0.000 1.017 331 S CB 1.026 64.246 63.200 0.033 0.000 1.077 331 S HN 1.181 nan 8.310 nan 0.000 0.517 332 T N 1.210 115.784 114.554 0.034 0.000 2.904 332 T HA 0.603 4.953 4.350 0.000 0.000 0.290 332 T C 0.128 174.838 174.700 0.017 0.000 1.018 332 T CA -0.662 61.456 62.100 0.031 0.000 1.075 332 T CB 0.826 69.719 68.868 0.042 0.000 0.986 332 T HN 0.697 nan 8.240 nan 0.000 0.523 333 S N 0.918 116.626 115.700 0.012 0.000 2.664 333 S HA 0.783 5.253 4.470 0.000 0.000 0.304 333 S C -0.494 174.108 174.600 0.002 0.000 1.099 333 S CA -0.945 57.254 58.200 -0.001 0.000 1.003 333 S CB 1.769 64.965 63.200 -0.007 0.000 1.092 333 S HN 0.953 nan 8.310 nan 0.000 0.525 334 S N 0.118 115.811 115.700 -0.011 0.000 2.566 334 S HA 0.287 4.758 4.470 0.000 0.000 0.273 334 S C 0.672 175.256 174.600 -0.026 0.000 1.157 334 S CA -0.602 57.594 58.200 -0.007 0.000 0.938 334 S CB 1.230 64.432 63.200 0.004 0.000 1.087 334 S HN 0.858 nan 8.310 nan 0.000 0.474 335 E N 3.939 124.128 120.200 -0.020 0.000 2.028 335 E HA -0.165 4.186 4.350 0.000 0.000 0.191 335 E C 0.949 177.520 176.600 -0.049 0.000 0.988 335 E CA 1.153 57.534 56.400 -0.031 0.000 0.799 335 E CB -0.458 29.230 29.700 -0.019 0.000 0.755 335 E HN 0.723 nan 8.360 nan 0.000 0.447 336 Q N 0.261 120.039 119.800 -0.037 0.000 2.230 336 Q HA 0.008 4.348 4.340 0.000 0.000 0.202 336 Q C 0.884 176.811 176.000 -0.122 0.000 0.963 336 Q CA 0.479 56.253 55.803 -0.048 0.000 0.866 336 Q CB -0.565 28.171 28.738 -0.003 0.000 0.931 336 Q HN 0.267 nan 8.270 nan 0.000 0.452 337 c N 3.655 122.188 118.600 -0.112 0.000 2.634 337 c HA 0.043 4.613 4.570 0.000 0.000 0.418 337 c C -0.565 173.344 174.090 -0.301 0.000 1.373 337 c CA -1.247 54.957 56.329 -0.208 0.000 1.756 337 c CB 0.377 42.832 42.510 -0.091 0.000 2.589 337 c HN 0.335 nan 8.230 nan 0.000 0.602 338 P HA 0.002 nan 4.420 nan 0.000 0.227 338 P C 0.321 177.481 177.300 -0.234 0.000 1.161 338 P CA 1.079 63.948 63.100 -0.385 0.000 0.788 338 P CB -0.058 31.320 31.700 -0.537 0.000 0.822 339 I N -1.657 118.794 120.570 -0.197 0.000 3.062 339 I HA 0.643 4.813 4.170 0.000 0.000 0.316 339 I C -0.154 175.904 176.117 -0.098 0.000 1.041 339 I CA -1.577 59.647 61.300 -0.126 0.000 1.069 339 I CB 1.566 39.510 38.000 -0.094 0.000 1.300 339 I HN -0.203 nan 8.210 nan 0.000 0.518 340 R N 2.406 122.860 120.500 -0.076 0.000 2.634 340 R HA 0.605 4.945 4.340 0.000 0.000 0.263 340 R C -2.305 173.962 176.300 -0.054 0.000 1.060 340 R CA -0.975 55.087 56.100 -0.063 0.000 0.898 340 R CB 1.124 31.381 30.300 -0.072 0.000 1.253 340 R HN 0.714 nan 8.270 nan 0.000 0.461 341 L N 2.516 123.714 121.223 -0.042 0.000 2.317 341 L HA 0.762 5.102 4.340 0.000 0.000 0.281 341 L C -0.072 176.775 176.870 -0.037 0.000 1.024 341 L CA -1.143 53.675 54.840 -0.037 0.000 0.810 341 L CB 1.836 43.880 42.059 -0.025 0.000 1.240 341 L HN 0.633 nan 8.230 nan 0.000 0.427 342 V N -0.464 119.422 119.914 -0.046 0.000 3.114 342 V HA 0.511 4.631 4.120 0.000 0.000 0.308 342 V C -0.540 175.529 176.094 -0.042 0.000 1.168 342 V CA -0.987 61.286 62.300 -0.044 0.000 1.015 342 V CB 1.912 33.690 31.823 -0.074 0.000 1.050 342 V HN 0.859 nan 8.190 nan 0.000 0.433 343 E N 2.267 122.452 120.200 -0.025 0.000 2.392 343 E HA 0.503 4.853 4.350 0.000 0.000 0.264 343 E C 0.565 177.143 176.600 -0.037 0.000 1.024 343 E CA 0.091 56.474 56.400 -0.028 0.000 0.903 343 E CB 1.286 30.989 29.700 0.006 0.000 0.963 343 E HN 1.083 nan 8.360 nan 0.000 0.432 344 G N 2.079 110.852 108.800 -0.046 0.000 2.873 344 G HA2 -0.121 3.839 3.960 0.000 0.000 0.170 344 G HA3 -0.121 3.839 3.960 0.000 0.000 0.170 344 G C 0.518 175.405 174.900 -0.021 0.000 1.608 344 G CA -0.129 44.951 45.100 -0.035 0.000 1.084 344 G HN 0.548 nan 8.290 nan 0.000 0.563 345 Q N -0.395 119.395 119.800 -0.016 0.000 2.291 345 Q HA 0.147 4.487 4.340 0.000 0.000 0.205 345 Q C 1.229 177.225 176.000 -0.006 0.000 0.970 345 Q CA 1.031 56.830 55.803 -0.008 0.000 0.876 345 Q CB -0.017 28.718 28.738 -0.006 0.000 0.935 345 Q HN 0.521 nan 8.270 nan 0.000 0.455 346 S N -2.502 113.191 115.700 -0.012 0.000 2.656 346 S HA 0.258 4.728 4.470 0.000 0.000 0.273 346 S C 0.144 174.739 174.600 -0.008 0.000 1.168 346 S CA -0.934 57.265 58.200 -0.002 0.000 0.817 346 S CB 0.995 64.195 63.200 0.000 0.000 1.146 346 S HN -0.108 nan 8.310 nan 0.000 0.475 347 Q N 0.495 120.307 119.800 0.020 0.000 2.500 347 Q HA -0.024 4.317 4.340 0.000 0.000 0.213 347 Q C 1.035 177.014 176.000 -0.034 0.000 0.974 347 Q CA 0.934 56.763 55.803 0.043 0.000 0.918 347 Q CB -0.574 28.247 28.738 0.138 0.000 0.980 347 Q HN 0.745 nan 8.270 nan 0.000 0.505 348 N N -0.326 118.348 118.700 -0.043 0.000 2.461 348 N HA -0.028 4.712 4.740 0.000 0.000 0.188 348 N C -0.610 174.810 175.510 -0.150 0.000 1.134 348 N CA 0.122 53.121 53.050 -0.085 0.000 0.878 348 N CB 0.602 39.069 38.487 -0.034 0.000 0.972 348 N HN -0.163 nan 8.380 nan 0.000 0.456 349 V N 1.378 121.205 119.914 -0.144 0.000 2.789 349 V HA 0.478 4.598 4.120 0.000 0.000 0.311 349 V C -0.802 175.197 176.094 -0.159 0.000 1.073 349 V CA -1.167 61.048 62.300 -0.143 0.000 0.921 349 V CB 1.746 33.520 31.823 -0.081 0.000 1.009 349 V HN 0.103 nan 8.190 nan 0.000 0.426 350 L N 2.370 123.494 121.223 -0.166 0.000 2.354 350 L HA 0.833 5.173 4.340 0.000 0.000 0.269 350 L C -0.657 176.162 176.870 -0.085 0.000 1.005 350 L CA -0.347 54.410 54.840 -0.138 0.000 0.819 350 L CB 1.975 43.923 42.059 -0.185 0.000 1.311 350 L HN 0.703 nan 8.230 nan 0.000 0.423 351 Q N 1.971 121.734 119.800 -0.062 0.000 2.365 351 Q HA 0.717 5.057 4.340 0.000 0.000 0.269 351 Q C -1.362 174.617 176.000 -0.035 0.000 1.061 351 Q CA -1.148 54.631 55.803 -0.040 0.000 0.816 351 Q CB 3.131 31.853 28.738 -0.027 0.000 1.325 351 Q HN 0.607 nan 8.270 nan 0.000 0.446 352 V N 2.741 122.642 119.914 -0.021 0.000 2.350 352 V HA 0.405 4.525 4.120 0.000 0.000 0.276 352 V C -0.034 176.048 176.094 -0.020 0.000 1.028 352 V CA -0.367 61.921 62.300 -0.020 0.000 0.860 352 V CB 0.876 32.698 31.823 -0.002 0.000 0.990 352 V HN 0.606 nan 8.190 nan 0.000 0.453 353 R N 2.889 123.366 120.500 -0.037 0.000 2.828 353 R HA 0.912 5.252 4.340 0.000 0.000 0.264 353 R C -1.342 174.924 176.300 -0.057 0.000 1.022 353 R CA -0.803 55.278 56.100 -0.032 0.000 1.021 353 R CB 2.525 32.794 30.300 -0.052 0.000 1.163 353 R HN 0.463 nan 8.270 nan 0.000 0.494 354 V N -0.011 119.869 119.914 -0.055 0.000 3.147 354 V HA 0.594 4.714 4.120 0.000 0.000 0.299 354 V C -1.477 174.564 176.094 -0.089 0.000 1.302 354 V CA -0.644 61.599 62.300 -0.095 0.000 1.015 354 V CB 2.228 33.969 31.823 -0.137 0.000 1.086 354 V HN 0.939 nan 8.190 nan 0.000 0.437 355 A N 5.722 128.481 122.820 -0.101 0.000 2.328 355 A HA 0.717 5.037 4.320 0.000 0.000 0.284 355 A C -1.773 175.723 177.584 -0.147 0.000 1.160 355 A CA -1.152 50.826 52.037 -0.099 0.000 0.818 355 A CB 0.661 19.616 19.000 -0.076 0.000 1.087 355 A HN 0.747 nan 8.150 nan 0.000 0.504 356 P HA -0.237 nan 4.420 nan 0.000 0.217 356 P C 1.629 178.875 177.300 -0.091 0.000 1.162 356 P CA 2.349 65.279 63.100 -0.283 0.000 0.901 356 P CB 0.102 31.585 31.700 -0.362 0.000 0.793 357 T N -2.025 112.500 114.554 -0.049 0.000 3.052 357 T HA -0.072 4.279 4.350 0.000 0.000 0.270 357 T C 1.559 176.241 174.700 -0.031 0.000 1.147 357 T CA 1.425 63.518 62.100 -0.012 0.000 1.089 357 T CB -0.802 68.061 68.868 -0.008 0.000 0.875 357 T HN 0.020 nan 8.240 nan 0.000 0.541 358 S N 0.427 116.086 115.700 -0.068 0.000 2.503 358 S HA 0.169 4.639 4.470 0.000 0.000 0.217 358 S C 1.880 176.428 174.600 -0.088 0.000 0.999 358 S CA -0.051 58.101 58.200 -0.081 0.000 0.914 358 S CB -0.062 63.062 63.200 -0.126 0.000 0.782 358 S HN 0.388 nan 8.310 nan 0.000 0.520 359 M N 1.506 121.045 119.600 -0.102 0.000 2.080 359 M HA -0.037 4.443 4.480 0.000 0.000 0.260 359 M C -0.951 175.275 176.300 -0.123 0.000 1.068 359 M CA 1.434 56.649 55.300 -0.142 0.000 1.109 359 M CB -2.769 29.768 32.600 -0.105 0.000 1.342 359 M HN 0.077 nan 8.290 nan 0.000 0.405 360 P HA -0.131 nan 4.420 nan 0.000 0.216 360 P C 0.972 178.272 177.300 -0.001 0.000 1.150 360 P CA 1.258 64.309 63.100 -0.082 0.000 0.843 360 P CB -0.126 31.555 31.700 -0.032 0.000 0.787 361 N N -1.367 117.369 118.700 0.061 0.000 2.336 361 N HA 0.036 4.776 4.740 0.000 0.000 0.189 361 N C 0.319 175.932 175.510 0.172 0.000 1.113 361 N CA -0.005 53.163 53.050 0.197 0.000 0.858 361 N CB -0.129 38.501 38.487 0.238 0.000 0.970 361 N HN 0.146 nan 8.380 nan 0.000 0.471 362 L N 1.226 122.477 121.223 0.046 0.000 2.319 362 L HA 0.125 4.465 4.340 0.000 0.000 0.280 362 L C 1.091 178.014 176.870 0.088 0.000 1.099 362 L CA 0.172 55.025 54.840 0.021 0.000 0.828 362 L CB 1.291 43.262 42.059 -0.146 0.000 1.150 362 L HN -0.234 nan 8.230 nan 0.000 0.442 363 V N 3.977 123.945 119.914 0.089 0.000 2.575 363 V HA 0.479 4.599 4.120 0.000 0.000 0.242 363 V C 0.953 177.281 176.094 0.390 0.000 1.045 363 V CA 0.919 63.303 62.300 0.139 0.000 1.065 363 V CB -0.005 31.689 31.823 -0.215 0.000 0.717 363 V HN 0.933 nan 8.190 nan 0.000 0.467 364 G N -0.653 108.329 108.800 0.304 0.000 2.519 364 G HA2 0.535 4.495 3.960 0.000 0.000 0.292 364 G HA3 0.535 4.495 3.960 0.000 0.000 0.292 364 G C -1.756 173.264 174.900 0.201 0.000 1.507 364 G CA 0.135 45.414 45.100 0.299 0.000 0.806 364 G HN 0.453 nan 8.290 nan 0.000 0.523 365 V N -1.896 118.125 119.914 0.178 0.000 2.789 365 V HA 0.922 5.042 4.120 0.000 0.000 0.311 365 V C -0.191 175.927 176.094 0.038 0.000 1.073 365 V CA -1.020 61.342 62.300 0.103 0.000 0.921 365 V CB 1.595 33.507 31.823 0.148 0.000 1.009 365 V HN 0.888 nan 8.190 nan 0.000 0.426 366 S N 4.084 119.784 115.700 0.000 0.000 2.502 366 S HA 0.772 5.242 4.470 0.000 0.000 0.304 366 S C -0.807 173.812 174.600 0.031 0.000 1.097 366 S CA -0.464 57.734 58.200 -0.003 0.000 1.045 366 S CB 1.578 64.733 63.200 -0.076 0.000 1.019 366 S HN 0.950 nan 8.310 nan 0.000 0.481 367 L N 4.093 125.369 121.223 0.088 0.000 2.287 367 L HA 0.666 5.006 4.340 0.000 0.000 0.287 367 L C -1.100 175.838 176.870 0.114 0.000 1.022 367 L CA -0.120 54.792 54.840 0.121 0.000 0.814 367 L CB 0.561 42.729 42.059 0.182 0.000 1.217 367 L HN 0.698 nan 8.230 nan 0.000 0.420 368 M N 7.551 127.236 119.600 0.142 0.000 2.259 368 M HA 0.679 5.159 4.480 0.000 0.000 0.304 368 M C -1.064 175.349 176.300 0.188 0.000 1.019 368 M CA -0.440 54.958 55.300 0.163 0.000 0.922 368 M CB 1.883 34.637 32.600 0.257 0.000 1.600 368 M HN 0.639 nan 8.290 nan 0.000 0.433 369 L N -0.965 120.333 121.223 0.125 0.000 2.801 369 L HA 0.717 5.058 4.340 0.000 0.000 0.264 369 L C -0.559 176.359 176.870 0.080 0.000 1.086 369 L CA -1.288 53.628 54.840 0.125 0.000 0.920 369 L CB 1.242 43.357 42.059 0.093 0.000 1.529 369 L HN 0.468 nan 8.230 nan 0.000 0.399 370 E N 1.242 121.491 120.200 0.081 0.000 2.924 370 E HA 0.291 4.641 4.350 0.000 0.000 0.236 370 E C 1.078 177.692 176.600 0.023 0.000 1.028 370 E CA 1.749 58.181 56.400 0.053 0.000 0.952 370 E CB -0.407 29.328 29.700 0.059 0.000 0.918 370 E HN 1.078 nan 8.360 nan 0.000 0.536 371 G N 3.918 112.719 108.800 0.003 0.000 2.166 371 G HA2 -0.326 3.634 3.960 0.000 0.000 0.260 371 G HA3 -0.326 3.634 3.960 0.000 0.000 0.260 371 G C -0.062 174.806 174.900 -0.054 0.000 0.986 371 G CA 0.579 45.667 45.100 -0.021 0.000 0.683 371 G HN 0.561 nan 8.290 nan 0.000 0.527 372 Q N -0.874 118.880 119.800 -0.076 0.000 2.268 372 Q HA 0.556 4.896 4.340 0.000 0.000 0.266 372 Q C -0.830 174.986 176.000 -0.308 0.000 1.006 372 Q CA -0.514 55.155 55.803 -0.223 0.000 0.824 372 Q CB 2.154 30.824 28.738 -0.114 0.000 1.306 372 Q HN 0.374 nan 8.270 nan 0.000 0.424 373 Q N 2.472 121.949 119.800 -0.539 0.000 2.274 373 Q HA 0.463 4.803 4.340 0.000 0.000 0.268 373 Q C -1.948 173.701 176.000 -0.585 0.000 1.015 373 Q CA -0.514 55.070 55.803 -0.365 0.000 0.775 373 Q CB 1.404 30.095 28.738 -0.079 0.000 1.256 373 Q HN 0.589 nan 8.270 nan 0.000 0.442 374 Y N 1.829 122.145 120.300 0.027 0.000 2.338 374 Y HA 0.397 4.947 4.550 0.000 0.000 0.333 374 Y C -0.405 175.480 175.900 -0.026 0.000 0.968 374 Y CA -0.831 57.267 58.100 -0.002 0.000 1.123 374 Y CB 1.722 40.178 38.460 -0.008 0.000 1.165 374 Y HN 0.514 nan 8.280 nan 0.000 0.452 375 R N 3.902 124.455 120.500 0.089 0.000 2.233 375 R HA 0.480 4.820 4.340 0.000 0.000 0.334 375 R C -1.646 174.633 176.300 -0.035 0.000 1.037 375 R CA -0.661 55.445 56.100 0.010 0.000 0.920 375 R CB 0.167 30.460 30.300 -0.011 0.000 1.137 375 R HN 0.524 nan 8.270 nan 0.000 0.492 376 L N 4.191 125.372 121.223 -0.071 0.000 2.260 376 L HA 0.318 4.658 4.340 0.000 0.000 0.289 376 L C -0.042 176.609 176.870 -0.366 0.000 1.057 376 L CA 0.194 54.895 54.840 -0.231 0.000 0.811 376 L CB 1.262 43.190 42.059 -0.218 0.000 1.184 376 L HN 0.616 nan 8.230 nan 0.000 0.429 377 E N 3.093 123.021 120.200 -0.453 0.000 2.171 377 E HA 0.236 4.586 4.350 0.000 0.000 0.271 377 E C -0.767 175.490 176.600 -0.572 0.000 0.916 377 E CA -0.425 55.721 56.400 -0.424 0.000 0.774 377 E CB 1.329 30.694 29.700 -0.557 0.000 1.128 377 E HN 0.381 nan 8.360 nan 0.000 0.403 378 Y N 1.693 122.031 120.300 0.063 0.000 2.571 378 Y HA 0.180 4.730 4.550 0.000 0.000 0.275 378 Y C -0.172 175.884 175.900 0.260 0.000 1.179 378 Y CA -0.500 57.666 58.100 0.110 0.000 1.242 378 Y CB -0.066 38.457 38.460 0.105 0.000 1.126 378 Y HN 0.386 nan 8.280 nan 0.000 0.524 379 F N -2.227 117.830 119.950 0.178 0.000 2.650 379 F HA 0.895 5.422 4.527 0.000 0.000 0.320 379 F C 0.434 176.291 175.800 0.096 0.000 1.091 379 F CA -1.602 56.515 58.000 0.195 0.000 0.962 379 F CB 0.769 39.876 39.000 0.178 0.000 1.363 379 F HN 0.005 nan 8.300 nan 0.000 0.482 380 G N 1.332 110.167 108.800 0.058 0.000 2.880 380 G HA2 -0.097 3.863 3.960 0.000 0.000 0.617 380 G HA3 -0.097 3.863 3.960 0.000 0.000 0.617 380 G C -0.689 174.109 174.900 -0.171 0.000 1.493 380 G CA 0.014 45.070 45.100 -0.073 0.000 0.916 380 G HN 1.000 nan 8.290 nan 0.000 0.553 381 D N 0.278 120.581 120.400 -0.163 0.000 2.513 381 D HA 0.205 4.845 4.640 0.000 0.000 0.222 381 D C 0.617 176.548 176.300 -0.615 0.000 1.210 381 D CA 0.332 54.132 54.000 -0.334 0.000 0.825 381 D CB 0.351 40.955 40.800 -0.327 0.000 1.037 381 D HN 0.530 nan 8.370 nan 0.000 0.506 382 H N 0.000 119.016 119.070 -0.091 0.000 2.539 382 H HA 0.000 4.556 4.556 0.000 0.000 0.296 382 H CA 0.000 56.010 56.048 -0.063 0.000 1.023 382 H CB 0.000 29.750 29.762 -0.020 0.000 1.292 382 H HN 0.000 nan 8.280 nan 0.000 0.496