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 1ivu_1_B DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDCL GDITYLSPVI SDAFGNPREI RNGICMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNYDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.576 177.584 -0.013 0.000 1.274 9 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 9 A CB 0.000 19.003 19.000 0.005 0.000 0.831 10 S N 2.209 117.907 115.700 -0.003 0.000 2.528 10 S HA 0.436 4.896 4.470 -0.017 0.000 0.277 10 S C -1.150 173.424 174.600 -0.045 0.000 1.297 10 S CA -0.603 57.599 58.200 0.004 0.000 1.052 10 S CB 1.023 64.251 63.200 0.047 0.000 0.917 10 S HN 0.371 nan 8.310 nan 0.000 0.492 11 P HA -0.011 nan 4.420 nan 0.000 0.230 11 P C 0.376 177.338 177.300 -0.564 0.000 1.158 11 P CA 0.911 63.805 63.100 -0.344 0.000 0.769 11 P CB -0.087 31.343 31.700 -0.451 0.000 0.807 12 F N 0.234 120.105 119.950 -0.130 0.000 2.664 12 F HA 0.206 4.723 4.527 -0.017 0.000 0.303 12 F C 1.614 177.336 175.800 -0.130 0.000 1.092 12 F CA -0.753 57.119 58.000 -0.214 0.000 1.305 12 F CB -0.236 38.627 39.000 -0.229 0.000 1.054 12 F HN -0.176 nan 8.300 nan 0.000 0.565 13 R N 1.138 121.651 120.500 0.022 0.000 2.784 13 R HA 0.193 4.522 4.340 -0.017 0.000 0.266 13 R C -0.267 176.048 176.300 0.025 0.000 1.044 13 R CA -0.372 55.754 56.100 0.043 0.000 1.151 13 R CB 0.422 30.740 30.300 0.030 0.000 1.037 13 R HN 0.168 nan 8.270 nan 0.000 0.478 14 L N 2.079 123.335 121.223 0.054 0.000 2.461 14 L HA 0.162 4.492 4.340 -0.017 0.000 0.272 14 L C 0.723 177.630 176.870 0.061 0.000 1.197 14 L CA -0.186 54.690 54.840 0.060 0.000 0.836 14 L CB 0.715 42.814 42.059 0.066 0.000 1.105 14 L HN 0.849 nan 8.230 nan 0.000 0.477 15 A N 2.609 125.478 122.820 0.081 0.000 2.511 15 A HA 0.346 4.656 4.320 -0.017 0.000 0.242 15 A C 0.421 178.081 177.584 0.127 0.000 1.069 15 A CA -0.165 51.974 52.037 0.171 0.000 0.763 15 A CB 0.055 19.220 19.000 0.276 0.000 1.001 15 A HN 0.772 nan 8.150 nan 0.000 0.498 16 S N 1.481 117.251 115.700 0.117 0.000 2.730 16 S HA 0.629 5.089 4.470 -0.017 0.000 0.284 16 S C 1.186 175.806 174.600 0.033 0.000 1.153 16 S CA -0.200 58.036 58.200 0.059 0.000 0.995 16 S CB 1.452 64.678 63.200 0.043 0.000 1.058 16 S HN 1.523 nan 8.310 nan 0.000 0.552 17 A N 0.810 123.638 122.820 0.012 0.000 1.969 17 A HA 0.189 4.499 4.320 -0.017 0.000 0.218 17 A C 2.076 179.644 177.584 -0.026 0.000 1.169 17 A CA 1.517 53.551 52.037 -0.006 0.000 0.635 17 A CB -1.710 17.288 19.000 -0.003 0.000 0.810 17 A HN 1.086 nan 8.150 nan 0.000 0.445 18 G N -0.318 108.470 108.800 -0.020 0.000 2.421 18 G HA2 -0.206 3.744 3.960 -0.017 0.000 0.216 18 G HA3 -0.206 3.744 3.960 -0.017 0.000 0.216 18 G C 1.414 176.271 174.900 -0.072 0.000 1.171 18 G CA 0.932 46.011 45.100 -0.035 0.000 0.775 18 G HN 0.638 nan 8.290 nan 0.000 0.543 19 E N 0.016 120.173 120.200 -0.072 0.000 2.110 19 E HA -0.080 4.260 4.350 -0.017 0.000 0.193 19 E C 2.502 178.884 176.600 -0.365 0.000 0.988 19 E CA 0.628 56.922 56.400 -0.175 0.000 0.804 19 E CB -0.148 29.522 29.700 -0.051 0.000 0.745 19 E HN 0.494 nan 8.360 nan 0.000 0.458 20 I N 0.767 121.185 120.570 -0.253 0.000 2.252 20 I HA -0.240 3.920 4.170 -0.017 0.000 0.245 20 I C 2.377 178.376 176.117 -0.196 0.000 1.102 20 I CA 0.768 61.912 61.300 -0.261 0.000 1.385 20 I CB -0.142 37.791 38.000 -0.111 0.000 1.064 20 I HN -0.017 nan 8.210 nan 0.000 0.414 21 S N 0.163 115.787 115.700 -0.128 0.000 2.382 21 S HA -0.228 4.231 4.470 -0.017 0.000 0.228 21 S C 1.904 176.440 174.600 -0.106 0.000 1.027 21 S CA 1.509 59.656 58.200 -0.089 0.000 0.991 21 S CB -0.223 62.942 63.200 -0.057 0.000 0.823 21 S HN 0.411 nan 8.310 nan 0.000 0.469 22 E N 1.180 121.296 120.200 -0.141 0.000 2.106 22 E HA -0.059 4.281 4.350 -0.017 0.000 0.192 22 E C 1.810 178.311 176.600 -0.164 0.000 0.984 22 E CA 0.771 57.090 56.400 -0.135 0.000 0.806 22 E CB -0.234 29.388 29.700 -0.129 0.000 0.750 22 E HN 0.242 nan 8.360 nan 0.000 0.458 23 V N 0.943 120.700 119.914 -0.262 0.000 2.407 23 V HA -0.260 3.850 4.120 -0.017 0.000 0.248 23 V C 2.549 178.562 176.094 -0.134 0.000 1.055 23 V CA 2.156 64.306 62.300 -0.250 0.000 1.049 23 V CB -0.598 30.982 31.823 -0.405 0.000 0.662 23 V HN 0.411 nan 8.190 nan 0.000 0.455 24 Q N 0.170 119.901 119.800 -0.115 0.000 2.050 24 Q HA -0.173 4.157 4.340 -0.017 0.000 0.202 24 Q C 2.269 178.244 176.000 -0.042 0.000 0.980 24 Q CA 2.065 57.834 55.803 -0.057 0.000 0.840 24 Q CB -0.477 28.237 28.738 -0.040 0.000 0.898 24 Q HN 0.642 nan 8.270 nan 0.000 0.424 25 G N 0.844 109.613 108.800 -0.053 0.000 2.422 25 G HA2 -0.224 3.726 3.960 -0.017 0.000 0.218 25 G HA3 -0.224 3.726 3.960 -0.017 0.000 0.218 25 G C 1.377 176.256 174.900 -0.034 0.000 1.146 25 G CA 0.865 45.942 45.100 -0.039 0.000 0.769 25 G HN 0.369 nan 8.290 nan 0.000 0.547 26 I N 0.232 120.775 120.570 -0.045 0.000 2.315 26 I HA -0.063 4.097 4.170 -0.017 0.000 0.248 26 I C 2.610 178.715 176.117 -0.019 0.000 1.117 26 I CA 0.547 61.827 61.300 -0.032 0.000 1.404 26 I CB -0.116 37.860 38.000 -0.040 0.000 1.071 26 I HN 0.118 nan 8.210 nan 0.000 0.419 27 L N -0.022 121.189 121.223 -0.020 0.000 2.109 27 L HA -0.136 4.194 4.340 -0.017 0.000 0.207 27 L C 2.738 179.607 176.870 -0.001 0.000 1.086 27 L CA 1.185 56.023 54.840 -0.004 0.000 0.760 27 L CB -0.517 41.542 42.059 0.000 0.000 0.910 27 L HN 0.137 nan 8.230 nan 0.000 0.437 28 R N -0.501 119.996 120.500 -0.005 0.000 2.070 28 R HA -0.124 4.205 4.340 -0.017 0.000 0.233 28 R C 2.318 178.615 176.300 -0.005 0.000 1.137 28 R CA 1.939 58.038 56.100 -0.003 0.000 0.945 28 R CB -0.654 29.643 30.300 -0.005 0.000 0.845 28 R HN 0.248 nan 8.270 nan 0.000 0.430 29 T N 0.740 115.288 114.554 -0.009 0.000 2.737 29 T HA -0.170 4.169 4.350 -0.017 0.000 0.269 29 T C 1.637 176.334 174.700 -0.006 0.000 1.040 29 T CA 1.530 63.625 62.100 -0.009 0.000 1.142 29 T CB -0.161 68.701 68.868 -0.011 0.000 0.861 29 T HN 0.382 nan 8.240 nan 0.000 0.456 30 A N 0.178 122.996 122.820 -0.003 0.000 2.238 30 A HA 0.504 4.814 4.320 -0.017 0.000 0.208 30 A C 1.825 179.409 177.584 0.000 0.000 1.177 30 A CA 0.760 52.796 52.037 -0.001 0.000 0.804 30 A CB -0.741 18.261 19.000 0.003 0.000 0.823 30 A HN 0.734 nan 8.150 nan 0.000 0.482 31 G N -1.152 107.648 108.800 -0.001 0.000 2.176 31 G HA2 -0.245 3.705 3.960 -0.017 0.000 0.252 31 G HA3 -0.245 3.705 3.960 -0.017 0.000 0.252 31 G C 0.540 175.440 174.900 0.001 0.000 1.024 31 G CA 0.571 45.671 45.100 -0.001 0.000 0.755 31 G HN 0.503 nan 8.290 nan 0.000 0.507 32 L N -1.574 119.653 121.223 0.005 0.000 2.590 32 L HA 0.452 4.782 4.340 -0.017 0.000 0.227 32 L C 1.132 178.011 176.870 0.015 0.000 1.099 32 L CA 0.132 54.978 54.840 0.010 0.000 0.872 32 L CB 0.530 42.600 42.059 0.018 0.000 1.088 32 L HN 0.208 nan 8.230 nan 0.000 0.479 33 L N 0.635 121.867 121.223 0.015 0.000 2.637 33 L HA 0.501 4.831 4.340 -0.017 0.000 0.241 33 L C 0.566 177.452 176.870 0.028 0.000 1.398 33 L CA -0.201 54.655 54.840 0.026 0.000 0.895 33 L CB 0.482 42.559 42.059 0.030 0.000 1.183 33 L HN -0.069 nan 8.230 nan 0.000 0.497 34 G N 0.875 109.686 108.800 0.019 0.000 2.553 34 G HA2 0.325 4.275 3.960 -0.017 0.000 0.278 34 G HA3 0.325 4.275 3.960 -0.017 0.000 0.278 34 G C -1.710 173.210 174.900 0.034 0.000 1.349 34 G CA -0.712 44.398 45.100 0.016 0.000 1.037 34 G HN 0.387 nan 8.290 nan 0.000 0.508 35 P HA -0.025 nan 4.420 nan 0.000 0.218 35 P C 1.274 178.610 177.300 0.061 0.000 1.149 35 P CA 0.905 64.026 63.100 0.034 0.000 0.817 35 P CB 0.289 31.991 31.700 0.005 0.000 0.785 36 E N -0.700 119.518 120.200 0.030 0.000 2.489 36 E HA 0.042 4.382 4.350 -0.017 0.000 0.193 36 E C 0.274 176.871 176.600 -0.005 0.000 1.057 36 E CA 0.554 56.961 56.400 0.012 0.000 0.866 36 E CB -0.002 29.683 29.700 -0.025 0.000 0.916 36 E HN 0.322 nan 8.360 nan 0.000 0.500 37 K N 1.464 121.882 120.400 0.029 0.000 2.110 37 K HA 0.373 4.682 4.320 -0.017 0.000 0.263 37 K C 0.347 176.984 176.600 0.061 0.000 0.975 37 K CA -0.535 55.762 56.287 0.017 0.000 0.895 37 K CB 1.546 34.061 32.500 0.024 0.000 1.060 37 K HN -0.168 nan 8.250 nan 0.000 0.448 38 R N 1.830 122.355 120.500 0.041 0.000 2.621 38 R HA 0.429 4.759 4.340 -0.017 0.000 0.284 38 R C -0.264 176.057 176.300 0.036 0.000 0.998 38 R CA -0.868 55.238 56.100 0.010 0.000 0.895 38 R CB 1.306 31.636 30.300 0.050 0.000 1.195 38 R HN 0.491 nan 8.270 nan 0.000 0.450 39 I N 2.730 123.283 120.570 -0.028 0.000 2.347 39 I HA 0.108 4.268 4.170 -0.017 0.000 0.294 39 I C 1.348 177.469 176.117 0.007 0.000 1.090 39 I CA 0.138 61.440 61.300 0.002 0.000 1.314 39 I CB 0.695 38.668 38.000 -0.045 0.000 1.423 39 I HN 0.695 nan 8.210 nan 0.000 0.503 40 A N 6.754 129.634 122.820 0.100 0.000 2.132 40 A HA 0.012 4.321 4.320 -0.017 0.000 0.213 40 A C 0.396 178.078 177.584 0.162 0.000 1.154 40 A CA 0.624 52.731 52.037 0.118 0.000 0.753 40 A CB 0.182 19.291 19.000 0.182 0.000 0.826 40 A HN 0.665 nan 8.150 nan 0.000 0.469 41 Y N -1.890 118.395 120.300 -0.027 0.000 2.424 41 Y HA 0.544 5.084 4.550 -0.017 0.000 0.323 41 Y C -1.957 173.821 175.900 -0.203 0.000 1.174 41 Y CA -1.271 56.704 58.100 -0.209 0.000 1.060 41 Y CB 1.010 39.128 38.460 -0.570 0.000 1.314 41 Y HN 0.110 nan 8.280 nan 0.000 0.439 42 L N 5.708 126.244 121.223 -1.145 0.000 2.470 42 L HA 0.989 5.319 4.340 -0.017 0.000 0.268 42 L C -1.096 175.260 176.870 -0.857 0.000 0.964 42 L CA -0.224 54.136 54.840 -0.800 0.000 0.839 42 L CB 1.995 43.879 42.059 -0.291 0.000 1.276 42 L HN 0.936 nan 8.230 nan 0.000 0.403 43 G N 3.123 111.551 108.800 -0.619 0.000 2.759 43 G HA2 0.452 4.401 3.960 -0.017 0.000 0.297 43 G HA3 0.452 4.401 3.960 -0.017 0.000 0.297 43 G C -1.848 172.897 174.900 -0.258 0.000 1.434 43 G CA -0.565 44.356 45.100 -0.298 0.000 0.980 43 G HN 0.484 nan 8.290 nan 0.000 0.531 44 V N 2.530 122.131 119.914 -0.522 0.000 2.715 44 V HA 0.502 4.612 4.120 -0.017 0.000 0.299 44 V C 0.309 176.152 176.094 -0.419 0.000 1.054 44 V CA -0.289 61.434 62.300 -0.963 0.000 1.077 44 V CB 0.567 31.756 31.823 -1.057 0.000 0.972 44 V HN 0.558 nan 8.190 nan 0.000 0.484 45 L N 5.354 126.367 121.223 -0.351 0.000 2.379 45 L HA 0.478 4.808 4.340 -0.017 0.000 0.269 45 L C 0.038 176.794 176.870 -0.190 0.000 1.084 45 L CA -0.757 53.980 54.840 -0.172 0.000 0.802 45 L CB 0.959 42.956 42.059 -0.102 0.000 1.175 45 L HN 0.577 nan 8.230 nan 0.000 0.448 46 D N 1.683 122.018 120.400 -0.108 0.000 2.341 46 D HA 0.242 4.872 4.640 -0.017 0.000 0.245 46 D C -2.032 174.183 176.300 -0.141 0.000 1.106 46 D CA -0.940 52.989 54.000 -0.120 0.000 0.905 46 D CB 0.661 41.496 40.800 0.058 0.000 1.202 46 D HN 0.237 nan 8.370 nan 0.000 0.426 47 P HA 0.081 nan 4.420 nan 0.000 0.266 47 P C -0.629 176.630 177.300 -0.068 0.000 1.193 47 P CA -0.028 62.952 63.100 -0.200 0.000 0.770 47 P CB 0.440 31.953 31.700 -0.312 0.000 0.836 48 A N 2.784 125.574 122.820 -0.049 0.000 2.406 48 A HA 0.211 4.521 4.320 -0.017 0.000 0.243 48 A C 0.616 178.187 177.584 -0.022 0.000 1.082 48 A CA -0.024 52.005 52.037 -0.015 0.000 0.786 48 A CB -0.008 18.983 19.000 -0.015 0.000 1.029 48 A HN 0.459 nan 8.150 nan 0.000 0.495 49 R N -0.138 120.340 120.500 -0.036 0.000 2.679 49 R HA 0.465 4.795 4.340 -0.017 0.000 0.268 49 R C 0.772 177.031 176.300 -0.069 0.000 1.044 49 R CA 1.482 57.509 56.100 -0.121 0.000 1.105 49 R CB -0.223 29.962 30.300 -0.192 0.000 0.989 49 R HN 2.100 nan 8.270 nan 0.000 0.447 50 G N 0.570 109.335 108.800 -0.059 0.000 2.555 50 G HA2 0.145 4.094 3.960 -0.017 0.000 0.686 50 G HA3 0.145 4.094 3.960 -0.017 0.000 0.686 50 G C -0.296 174.633 174.900 0.049 0.000 1.275 50 G CA -0.280 44.822 45.100 0.004 0.000 0.871 50 G HN 0.727 nan 8.290 nan 0.000 0.603 51 A N -0.484 122.368 122.820 0.055 0.000 2.348 51 A HA 0.620 4.930 4.320 -0.017 0.000 0.224 51 A C 1.856 179.460 177.584 0.033 0.000 1.227 51 A CA 1.557 53.627 52.037 0.056 0.000 0.885 51 A CB 0.133 19.168 19.000 0.059 0.000 0.933 51 A HN 2.249 nan 8.150 nan 0.000 0.506 52 G N 1.444 110.258 108.800 0.023 0.000 3.574 52 G HA2 0.331 4.280 3.960 -0.017 0.000 0.262 52 G HA3 0.331 4.280 3.960 -0.017 0.000 0.262 52 G C 0.274 175.178 174.900 0.006 0.000 1.231 52 G CA 0.398 45.506 45.100 0.013 0.000 1.608 52 G HN 0.453 nan 8.290 nan 0.000 0.628 53 S N 0.004 115.708 115.700 0.006 0.000 2.423 53 S HA 0.205 4.664 4.470 -0.017 0.000 0.302 53 S C 0.155 174.750 174.600 -0.008 0.000 1.143 53 S CA -0.578 57.618 58.200 -0.006 0.000 1.080 53 S CB 1.672 64.866 63.200 -0.010 0.000 1.081 53 S HN 0.266 nan 8.310 nan 0.000 0.522 54 E N 3.631 123.826 120.200 -0.010 0.000 1.775 54 E HA 0.465 4.805 4.350 -0.017 0.000 0.266 54 E C 0.701 177.293 176.600 -0.014 0.000 1.191 54 E CA 0.732 57.127 56.400 -0.009 0.000 1.048 54 E CB -1.103 28.593 29.700 -0.007 0.000 1.081 54 E HN 1.013 nan 8.360 nan 0.000 0.434 55 A N 3.100 125.911 122.820 -0.015 0.000 6.647 55 A HA -0.275 4.034 4.320 -0.017 0.000 0.236 55 A C 0.191 177.756 177.584 -0.031 0.000 2.220 55 A CA 0.509 52.534 52.037 -0.020 0.000 0.695 55 A CB -0.840 18.152 19.000 -0.014 0.000 0.942 55 A HN 0.615 nan 8.150 nan 0.000 0.371 56 E N 0.171 120.352 120.200 -0.032 0.000 2.328 56 E HA 0.313 4.653 4.350 -0.017 0.000 0.265 56 E C -0.819 175.760 176.600 -0.035 0.000 1.057 56 E CA 0.520 56.895 56.400 -0.042 0.000 0.916 56 E CB 0.228 29.909 29.700 -0.033 0.000 0.993 56 E HN 0.499 nan 8.360 nan 0.000 0.446 57 D N 4.340 124.711 120.400 -0.049 0.000 2.363 57 D HA 0.158 4.788 4.640 -0.017 0.000 0.258 57 D C -1.089 175.186 176.300 -0.042 0.000 1.259 57 D CA -0.474 53.507 54.000 -0.032 0.000 0.921 57 D CB 0.330 41.113 40.800 -0.028 0.000 1.201 57 D HN 0.257 nan 8.370 nan 0.000 0.524 58 R N 2.627 123.120 120.500 -0.012 0.000 2.248 58 R HA 0.406 4.735 4.340 -0.017 0.000 0.337 58 R C 0.172 176.530 176.300 0.097 0.000 1.085 58 R CA -0.206 55.895 56.100 0.001 0.000 0.934 58 R CB 0.655 30.984 30.300 0.047 0.000 1.034 58 R HN 0.194 nan 8.270 nan 0.000 0.465 59 R N 2.760 123.267 120.500 0.012 0.000 2.540 59 R HA 0.405 4.735 4.340 -0.017 0.000 0.287 59 R C -0.845 175.467 176.300 0.020 0.000 0.980 59 R CA -0.548 55.603 56.100 0.085 0.000 0.966 59 R CB 1.233 31.545 30.300 0.020 0.000 1.106 59 R HN 0.266 nan 8.270 nan 0.000 0.480 60 F N 0.489 120.424 119.950 -0.026 0.000 2.551 60 F HA 0.465 4.982 4.527 -0.017 0.000 0.316 60 F C 0.354 176.151 175.800 -0.006 0.000 1.089 60 F CA -0.854 57.125 58.000 -0.035 0.000 0.915 60 F CB 1.902 40.866 39.000 -0.059 0.000 1.186 60 F HN 0.210 nan 8.300 nan 0.000 0.456 61 R N 1.649 122.238 120.500 0.148 0.000 2.532 61 R HA 0.893 5.223 4.340 -0.017 0.000 0.295 61 R C -1.773 174.596 176.300 0.114 0.000 0.968 61 R CA -0.586 55.617 56.100 0.172 0.000 0.916 61 R CB 1.596 32.027 30.300 0.218 0.000 1.124 61 R HN 0.546 nan 8.270 nan 0.000 0.463 62 V N 3.806 123.833 119.914 0.188 0.000 2.925 62 V HA 0.509 4.618 4.120 -0.017 0.000 0.311 62 V C -1.248 175.121 176.094 0.460 0.000 1.104 62 V CA -0.873 61.516 62.300 0.148 0.000 0.954 62 V CB 2.073 33.957 31.823 0.101 0.000 1.022 62 V HN 0.555 nan 8.190 nan 0.000 0.427 63 F N 3.561 123.653 119.950 0.237 0.000 2.402 63 F HA 0.635 5.152 4.527 -0.017 0.000 0.355 63 F C 0.054 175.939 175.800 0.141 0.000 1.123 63 F CA -1.740 56.400 58.000 0.233 0.000 1.021 63 F CB 1.364 40.552 39.000 0.313 0.000 1.160 63 F HN 0.215 nan 8.300 nan 0.000 0.451 64 I N 3.887 124.620 120.570 0.272 0.000 2.339 64 I HA 0.223 4.383 4.170 -0.017 0.000 0.290 64 I C -0.181 176.016 176.117 0.134 0.000 0.994 64 I CA -0.707 60.690 61.300 0.162 0.000 1.191 64 I CB 1.379 39.438 38.000 0.097 0.000 1.343 64 I HN 0.522 nan 8.210 nan 0.000 0.458 65 H N 5.863 124.953 119.070 0.035 0.000 2.496 65 H HA 0.343 4.889 4.556 -0.017 0.000 0.342 65 H C -1.158 174.164 175.328 -0.010 0.000 1.170 65 H CA -0.394 55.651 56.048 -0.004 0.000 1.274 65 H CB 1.498 31.252 29.762 -0.014 0.000 1.538 65 H HN 0.534 nan 8.280 nan 0.000 0.542 66 D N 4.071 123.971 120.400 -0.834 0.000 2.505 66 D HA 0.087 4.717 4.640 -0.017 0.000 0.250 66 D C 1.104 176.975 176.300 -0.716 0.000 1.164 66 D CA -0.431 53.231 54.000 -0.563 0.000 0.870 66 D CB 1.517 42.151 40.800 -0.277 0.000 1.160 66 D HN 0.513 nan 8.370 nan 0.000 0.549 67 V N 2.184 121.855 119.914 -0.405 0.000 2.913 67 V HA -0.116 3.994 4.120 -0.017 0.000 0.260 67 V C 1.793 177.836 176.094 -0.084 0.000 1.098 67 V CA 1.886 64.096 62.300 -0.150 0.000 1.121 67 V CB -0.669 31.154 31.823 -0.000 0.000 0.714 67 V HN 0.498 nan 8.190 nan 0.000 0.487 68 S N -0.139 115.500 115.700 -0.102 0.000 2.496 68 S HA 0.414 4.873 4.470 -0.017 0.000 0.224 68 S C 1.728 176.292 174.600 -0.061 0.000 0.996 68 S CA 0.957 59.120 58.200 -0.061 0.000 0.927 68 S CB 0.374 63.542 63.200 -0.053 0.000 0.774 68 S HN 1.698 nan 8.310 nan 0.000 0.524 69 G N 0.366 109.112 108.800 -0.090 0.000 2.229 69 G HA2 0.045 3.995 3.960 -0.017 0.000 0.189 69 G HA3 0.045 3.995 3.960 -0.017 0.000 0.189 69 G C 0.240 175.094 174.900 -0.076 0.000 1.000 69 G CA -0.176 44.884 45.100 -0.066 0.000 0.663 69 G HN 1.125 nan 8.290 nan 0.000 0.493 70 A N 0.805 123.570 122.820 -0.093 0.000 2.425 70 A HA 0.655 4.965 4.320 -0.017 0.000 0.242 70 A C 0.911 178.439 177.584 -0.093 0.000 1.077 70 A CA 0.048 52.036 52.037 -0.082 0.000 0.781 70 A CB 0.178 19.132 19.000 -0.076 0.000 1.020 70 A HN 0.514 nan 8.150 nan 0.000 0.494 71 R N 1.635 122.087 120.500 -0.079 0.000 2.583 71 R HA 0.107 4.436 4.340 -0.017 0.000 0.274 71 R C -2.134 174.111 176.300 -0.092 0.000 0.998 71 R CA -0.594 55.453 56.100 -0.087 0.000 1.081 71 R CB -0.129 30.120 30.300 -0.085 0.000 0.940 71 R HN 0.587 nan 8.270 nan 0.000 0.413 72 P HA 0.070 nan 4.420 nan 0.000 0.276 72 P C -0.957 176.290 177.300 -0.089 0.000 1.261 72 P CA -0.275 62.776 63.100 -0.081 0.000 0.800 72 P CB 0.930 32.591 31.700 -0.066 0.000 1.066 73 Q N 0.024 119.803 119.800 -0.035 0.000 2.377 73 Q HA 0.367 4.697 4.340 -0.017 0.000 0.271 73 Q C -0.665 175.369 176.000 0.057 0.000 1.077 73 Q CA -0.581 55.217 55.803 -0.008 0.000 0.820 73 Q CB 2.698 31.450 28.738 0.023 0.000 1.347 73 Q HN 0.503 nan 8.270 nan 0.000 0.444 74 E N 1.712 121.957 120.200 0.076 0.000 2.155 74 E HA 0.468 4.808 4.350 -0.017 0.000 0.264 74 E C -1.425 175.290 176.600 0.192 0.000 0.886 74 E CA -0.482 56.047 56.400 0.214 0.000 0.752 74 E CB 1.360 31.182 29.700 0.204 0.000 1.133 74 E HN 0.290 nan 8.360 nan 0.000 0.414 75 V N 3.122 123.173 119.914 0.228 0.000 2.680 75 V HA 0.459 4.568 4.120 -0.017 0.000 0.309 75 V C -0.220 175.973 176.094 0.165 0.000 1.052 75 V CA -0.777 61.617 62.300 0.157 0.000 0.908 75 V CB 2.171 34.064 31.823 0.116 0.000 1.001 75 V HN 0.683 nan 8.190 nan 0.000 0.431 76 T N 3.529 118.158 114.554 0.124 0.000 2.812 76 T HA 0.637 4.977 4.350 -0.017 0.000 0.282 76 T C -0.480 174.275 174.700 0.091 0.000 0.990 76 T CA -0.419 61.751 62.100 0.117 0.000 0.960 76 T CB 1.497 70.422 68.868 0.096 0.000 0.948 76 T HN 0.832 nan 8.240 nan 0.000 0.438 77 V N 0.927 120.903 119.914 0.103 0.000 2.864 77 V HA 0.905 5.015 4.120 -0.017 0.000 0.314 77 V C -0.100 176.051 176.094 0.095 0.000 1.073 77 V CA -0.902 61.444 62.300 0.076 0.000 0.956 77 V CB 2.129 33.979 31.823 0.044 0.000 1.023 77 V HN 0.764 nan 8.190 nan 0.000 0.435 78 S N 2.696 118.434 115.700 0.063 0.000 2.423 78 S HA 0.329 4.789 4.470 -0.017 0.000 0.317 78 S C 0.607 175.239 174.600 0.053 0.000 1.065 78 S CA 0.048 58.288 58.200 0.067 0.000 1.111 78 S CB 1.006 64.229 63.200 0.037 0.000 0.968 78 S HN 1.139 nan 8.310 nan 0.000 0.474 79 V N 5.376 125.342 119.914 0.086 0.000 2.594 79 V HA -0.102 4.007 4.120 -0.017 0.000 0.253 79 V C 2.122 178.224 176.094 0.014 0.000 1.069 79 V CA 2.711 65.020 62.300 0.015 0.000 1.082 79 V CB -0.782 31.033 31.823 -0.013 0.000 0.680 79 V HN 1.005 nan 8.190 nan 0.000 0.469 80 T N 0.690 115.265 114.554 0.035 0.000 2.701 80 T HA -0.117 4.223 4.350 -0.017 0.000 0.263 80 T C 1.591 176.295 174.700 0.006 0.000 1.040 80 T CA 1.666 63.776 62.100 0.017 0.000 1.147 80 T CB -0.341 68.535 68.868 0.015 0.000 0.865 80 T HN 0.487 nan 8.240 nan 0.000 0.426 81 N N 0.630 119.335 118.700 0.008 0.000 2.467 81 N HA 0.133 4.862 4.740 -0.017 0.000 0.184 81 N C 1.466 176.976 175.510 -0.000 0.000 1.106 81 N CA 0.758 53.810 53.050 0.003 0.000 0.892 81 N CB -0.031 38.459 38.487 0.006 0.000 0.969 81 N HN 0.580 nan 8.380 nan 0.000 0.454 82 G N 0.987 109.785 108.800 -0.003 0.000 2.160 82 G HA2 -0.284 3.666 3.960 -0.017 0.000 0.251 82 G HA3 -0.284 3.666 3.960 -0.017 0.000 0.251 82 G C 0.244 175.141 174.900 -0.005 0.000 1.008 82 G CA 1.028 46.122 45.100 -0.010 0.000 0.724 82 G HN 0.530 nan 8.290 nan 0.000 0.514 83 T N -3.288 111.267 114.554 0.003 0.000 2.940 83 T HA 0.722 5.062 4.350 -0.017 0.000 0.288 83 T C -0.266 174.443 174.700 0.014 0.000 1.045 83 T CA -0.644 61.460 62.100 0.007 0.000 1.018 83 T CB 2.867 71.740 68.868 0.009 0.000 1.151 83 T HN 0.691 nan 8.240 nan 0.000 0.529 84 V N 2.884 122.808 119.914 0.016 0.000 2.328 84 V HA 0.209 4.319 4.120 -0.017 0.000 0.278 84 V C 1.040 177.150 176.094 0.027 0.000 1.021 84 V CA -0.749 61.566 62.300 0.025 0.000 0.838 84 V CB 0.631 32.467 31.823 0.022 0.000 0.999 84 V HN 0.803 nan 8.190 nan 0.000 0.447 85 I N 3.091 123.682 120.570 0.035 0.000 2.252 85 I HA -0.031 4.129 4.170 -0.017 0.000 0.245 85 I C 1.081 177.216 176.117 0.031 0.000 1.102 85 I CA 1.264 62.583 61.300 0.031 0.000 1.385 85 I CB -0.639 37.382 38.000 0.036 0.000 1.064 85 I HN 0.780 nan 8.210 nan 0.000 0.414 86 S N -0.755 114.969 115.700 0.041 0.000 2.565 86 S HA 0.813 5.272 4.470 -0.017 0.000 0.269 86 S C -0.927 173.703 174.600 0.050 0.000 1.153 86 S CA -0.478 57.746 58.200 0.040 0.000 0.835 86 S CB 2.526 65.752 63.200 0.042 0.000 1.122 86 S HN 0.340 nan 8.310 nan 0.000 0.462 87 A N 0.863 123.708 122.820 0.042 0.000 2.509 87 A HA 0.678 4.988 4.320 -0.017 0.000 0.282 87 A C -0.634 176.967 177.584 0.029 0.000 1.054 87 A CA -0.365 51.698 52.037 0.044 0.000 0.820 87 A CB 0.687 19.707 19.000 0.033 0.000 1.333 87 A HN 2.099 nan 8.150 nan 0.000 0.409 88 V N -0.203 119.729 119.914 0.030 0.000 2.628 88 V HA 0.756 4.866 4.120 -0.017 0.000 0.306 88 V C -0.138 175.944 176.094 -0.020 0.000 1.045 88 V CA -0.766 61.537 62.300 0.005 0.000 0.905 88 V CB 1.666 33.494 31.823 0.008 0.000 0.997 88 V HN 0.877 nan 8.190 nan 0.000 0.436 89 E N 2.709 122.886 120.200 -0.039 0.000 2.301 89 E HA 0.568 4.908 4.350 -0.017 0.000 0.275 89 E C -1.235 175.301 176.600 -0.106 0.000 1.030 89 E CA -0.678 55.683 56.400 -0.066 0.000 0.852 89 E CB 1.423 31.089 29.700 -0.056 0.000 1.060 89 E HN 0.751 nan 8.360 nan 0.000 0.401 90 L N 3.291 124.418 121.223 -0.160 0.000 2.295 90 L HA 0.273 4.603 4.340 -0.017 0.000 0.285 90 L C -0.005 176.736 176.870 -0.215 0.000 1.035 90 L CA -0.708 53.985 54.840 -0.244 0.000 0.806 90 L CB 1.280 43.077 42.059 -0.438 0.000 1.214 90 L HN 0.466 nan 8.230 nan 0.000 0.426 91 D N 1.623 121.904 120.400 -0.199 0.000 2.524 91 D HA 0.031 4.660 4.640 -0.017 0.000 0.222 91 D C 1.422 177.604 176.300 -0.196 0.000 1.142 91 D CA -0.177 53.728 54.000 -0.157 0.000 0.973 91 D CB 0.987 41.721 40.800 -0.111 0.000 1.025 91 D HN 0.706 nan 8.370 nan 0.000 0.519 92 T N 0.320 114.741 114.554 -0.221 0.000 2.778 92 T HA -0.220 4.119 4.350 -0.017 0.000 0.269 92 T C 1.831 176.439 174.700 -0.152 0.000 1.050 92 T CA 1.183 63.139 62.100 -0.239 0.000 1.137 92 T CB -0.140 68.598 68.868 -0.216 0.000 0.860 92 T HN 0.235 nan 8.240 nan 0.000 0.468 93 A N 1.086 123.845 122.820 -0.102 0.000 2.067 93 A HA 0.465 4.774 4.320 -0.017 0.000 0.219 93 A C 2.612 180.174 177.584 -0.036 0.000 1.158 93 A CA 1.555 53.558 52.037 -0.058 0.000 0.661 93 A CB -0.988 17.984 19.000 -0.047 0.000 0.801 93 A HN 0.793 nan 8.150 nan 0.000 0.452 94 A N -0.725 122.058 122.820 -0.062 0.000 1.884 94 A HA 0.115 4.425 4.320 -0.017 0.000 0.212 94 A C 2.233 179.797 177.584 -0.034 0.000 1.265 94 A CA 1.746 53.765 52.037 -0.031 0.000 0.626 94 A CB -0.918 18.052 19.000 -0.049 0.000 0.943 94 A HN 0.673 nan 8.150 nan 0.000 0.466 95 T N -3.067 111.377 114.554 -0.182 0.000 3.129 95 T HA 0.456 4.795 4.350 -0.017 0.000 0.251 95 T C 0.874 175.179 174.700 -0.657 0.000 1.117 95 T CA 0.904 62.786 62.100 -0.363 0.000 1.034 95 T CB -0.351 68.356 68.868 -0.269 0.000 0.968 95 T HN 1.968 nan 8.240 nan 0.000 0.526 96 G N 1.009 109.561 108.800 -0.414 0.000 2.697 96 G HA2 0.027 3.977 3.960 -0.017 0.000 0.686 96 G HA3 0.027 3.977 3.960 -0.017 0.000 0.686 96 G C -0.966 173.769 174.900 -0.275 0.000 1.179 96 G CA -1.055 43.883 45.100 -0.270 0.000 0.765 96 G HN 0.275 nan 8.290 nan 0.000 0.649 97 E N 0.288 120.402 120.200 -0.145 0.000 2.371 97 E HA 0.445 4.785 4.350 -0.017 0.000 0.257 97 E C 1.223 177.759 176.600 -0.106 0.000 1.134 97 E CA -0.413 55.894 56.400 -0.156 0.000 0.919 97 E CB 0.731 30.368 29.700 -0.106 0.000 1.025 97 E HN 0.512 nan 8.360 nan 0.000 0.438 98 L N 2.247 123.411 121.223 -0.098 0.000 2.453 98 L HA 0.211 4.540 4.340 -0.017 0.000 0.261 98 L C -1.823 175.071 176.870 0.040 0.000 1.179 98 L CA -1.809 53.057 54.840 0.043 0.000 0.813 98 L CB -0.058 42.036 42.059 0.059 0.000 1.110 98 L HN 0.185 nan 8.230 nan 0.000 0.466 99 P HA -0.022 nan 4.420 nan 0.000 0.267 99 P C -0.522 176.739 177.300 -0.066 0.000 1.201 99 P CA -0.187 62.944 63.100 0.052 0.000 0.775 99 P CB 0.360 32.133 31.700 0.123 0.000 0.854 100 V N 3.118 122.946 119.914 -0.143 0.000 2.655 100 V HA -0.005 4.105 4.120 -0.017 0.000 0.300 100 V C 1.052 176.960 176.094 -0.310 0.000 1.044 100 V CA 0.090 62.188 62.300 -0.335 0.000 1.095 100 V CB -0.373 31.120 31.823 -0.550 0.000 0.952 100 V HN 0.322 nan 8.190 nan 0.000 0.485 101 L N 3.137 124.123 121.223 -0.395 0.000 2.375 101 L HA 0.310 4.640 4.340 -0.017 0.000 0.271 101 L C 1.538 178.238 176.870 -0.283 0.000 1.107 101 L CA -0.133 54.551 54.840 -0.259 0.000 0.806 101 L CB 0.956 42.871 42.059 -0.240 0.000 1.146 101 L HN 0.723 nan 8.230 nan 0.000 0.447 102 E N 1.048 121.251 120.200 0.005 0.000 2.153 102 E HA -0.234 4.106 4.350 -0.017 0.000 0.194 102 E C 1.563 178.255 176.600 0.153 0.000 0.988 102 E CA 1.528 58.078 56.400 0.250 0.000 0.811 102 E CB 0.290 30.169 29.700 0.299 0.000 0.746 102 E HN 0.748 nan 8.360 nan 0.000 0.466 103 E N 0.054 120.268 120.200 0.023 0.000 2.208 103 E HA -0.172 4.168 4.350 -0.017 0.000 0.193 103 E C 1.440 178.035 176.600 -0.008 0.000 0.988 103 E CA 0.824 57.244 56.400 0.032 0.000 0.828 103 E CB -0.094 29.614 29.700 0.013 0.000 0.763 103 E HN 0.299 nan 8.360 nan 0.000 0.478 104 E N -0.144 119.974 120.200 -0.136 0.000 2.358 104 E HA -0.046 4.294 4.350 -0.017 0.000 0.195 104 E C 1.244 177.764 176.600 -0.134 0.000 1.010 104 E CA 0.311 56.600 56.400 -0.185 0.000 0.856 104 E CB -0.041 29.465 29.700 -0.323 0.000 0.795 104 E HN 0.243 nan 8.360 nan 0.000 0.504 105 F N 1.988 121.956 119.950 0.030 0.000 2.098 105 F HA -0.108 4.409 4.527 -0.017 0.000 0.294 105 F C 2.380 178.207 175.800 0.046 0.000 1.107 105 F CA 1.308 59.337 58.000 0.048 0.000 1.234 105 F CB -0.586 38.469 39.000 0.092 0.000 1.002 105 F HN 0.043 nan 8.300 nan 0.000 0.472 106 E N -0.232 120.114 120.200 0.243 0.000 2.338 106 E HA -0.113 4.227 4.350 -0.017 0.000 0.197 106 E C 2.072 178.725 176.600 0.088 0.000 1.007 106 E CA 1.159 57.649 56.400 0.150 0.000 0.849 106 E CB -0.743 29.036 29.700 0.131 0.000 0.774 106 E HN 0.247 nan 8.360 nan 0.000 0.506 107 V N 1.538 121.491 119.914 0.065 0.000 2.343 107 V HA -0.254 3.856 4.120 -0.017 0.000 0.247 107 V C 2.456 178.546 176.094 -0.006 0.000 1.051 107 V CA 1.478 63.790 62.300 0.020 0.000 1.036 107 V CB -0.191 31.630 31.823 -0.004 0.000 0.654 107 V HN 0.213 nan 8.190 nan 0.000 0.451 108 V N -0.164 119.751 119.914 0.003 0.000 2.252 108 V HA -0.355 3.754 4.120 -0.017 0.000 0.249 108 V C 2.401 178.433 176.094 -0.103 0.000 1.056 108 V CA 2.578 64.847 62.300 -0.050 0.000 1.022 108 V CB -0.634 31.185 31.823 -0.007 0.000 0.641 108 V HN 0.646 nan 8.190 nan 0.000 0.445 109 E N -0.481 119.698 120.200 -0.036 0.000 2.072 109 E HA -0.246 4.094 4.350 -0.017 0.000 0.191 109 E C 2.352 178.926 176.600 -0.042 0.000 0.985 109 E CA 1.217 57.596 56.400 -0.035 0.000 0.801 109 E CB -0.066 29.658 29.700 0.040 0.000 0.750 109 E HN 0.682 nan 8.360 nan 0.000 0.452 110 Q N 0.242 120.033 119.800 -0.016 0.000 2.077 110 Q HA -0.203 4.127 4.340 -0.017 0.000 0.206 110 Q C 2.368 178.347 176.000 -0.035 0.000 0.989 110 Q CA 1.610 57.408 55.803 -0.007 0.000 0.853 110 Q CB -0.116 28.627 28.738 0.007 0.000 0.907 110 Q HN 0.352 nan 8.270 nan 0.000 0.418 111 L N -0.038 121.142 121.223 -0.071 0.000 2.109 111 L HA -0.159 4.171 4.340 -0.017 0.000 0.207 111 L C 2.216 178.998 176.870 -0.147 0.000 1.086 111 L CA 0.713 55.498 54.840 -0.093 0.000 0.760 111 L CB -0.206 41.791 42.059 -0.103 0.000 0.910 111 L HN 0.272 nan 8.230 nan 0.000 0.437 112 L N -0.535 120.523 121.223 -0.276 0.000 2.201 112 L HA -0.126 4.204 4.340 -0.017 0.000 0.212 112 L C 2.728 179.478 176.870 -0.200 0.000 1.105 112 L CA 0.785 55.317 54.840 -0.513 0.000 0.775 112 L CB -0.590 40.725 42.059 -1.239 0.000 0.913 112 L HN 0.209 nan 8.230 nan 0.000 0.440 113 A N -0.258 122.539 122.820 -0.040 0.000 2.125 113 A HA -0.168 4.141 4.320 -0.017 0.000 0.219 113 A C 2.083 179.728 177.584 0.101 0.000 1.156 113 A CA 2.020 54.125 52.037 0.112 0.000 0.671 113 A CB -0.662 18.386 19.000 0.081 0.000 0.794 113 A HN 0.508 nan 8.150 nan 0.000 0.459 114 T N -3.620 110.963 114.554 0.048 0.000 3.084 114 T HA 0.167 4.506 4.350 -0.017 0.000 0.270 114 T C 0.130 174.857 174.700 0.045 0.000 1.008 114 T CA 0.007 62.134 62.100 0.046 0.000 0.900 114 T CB -0.075 68.807 68.868 0.023 0.000 1.084 114 T HN 0.349 nan 8.240 nan 0.000 0.538 115 D N 2.279 122.711 120.400 0.053 0.000 2.308 115 D HA 0.069 4.699 4.640 -0.017 0.000 0.251 115 D C 1.053 177.416 176.300 0.105 0.000 1.127 115 D CA -0.058 53.974 54.000 0.053 0.000 0.876 115 D CB 1.770 42.580 40.800 0.017 0.000 1.176 115 D HN 0.482 nan 8.370 nan 0.000 0.446 116 E N 3.833 124.074 120.200 0.069 0.000 2.153 116 E HA -0.199 4.141 4.350 -0.017 0.000 0.194 116 E C 1.637 178.283 176.600 0.076 0.000 0.988 116 E CA 1.073 57.512 56.400 0.065 0.000 0.811 116 E CB -0.063 29.659 29.700 0.036 0.000 0.746 116 E HN 0.417 nan 8.360 nan 0.000 0.466 117 R N -0.311 120.240 120.500 0.086 0.000 2.115 117 R HA -0.037 4.293 4.340 -0.017 0.000 0.230 117 R C 2.057 178.444 176.300 0.144 0.000 1.111 117 R CA 1.466 57.617 56.100 0.085 0.000 0.976 117 R CB -0.448 29.892 30.300 0.067 0.000 0.870 117 R HN 0.429 nan 8.270 nan 0.000 0.445 118 W N 1.315 122.595 121.300 -0.033 0.000 2.407 118 W HA -0.082 4.568 4.660 -0.017 0.000 0.305 118 W C 1.390 177.896 176.519 -0.021 0.000 1.196 118 W CA 1.032 58.359 57.345 -0.030 0.000 1.311 118 W CB -0.065 29.380 29.460 -0.026 0.000 1.135 118 W HN 0.056 nan 8.180 nan 0.000 0.514 119 L N 0.833 122.152 121.223 0.160 0.000 2.083 119 L HA -0.244 4.086 4.340 -0.017 0.000 0.209 119 L C 2.658 179.504 176.870 -0.039 0.000 1.083 119 L CA 1.446 56.307 54.840 0.036 0.000 0.752 119 L CB -0.869 41.235 42.059 0.076 0.000 0.899 119 L HN -0.091 nan 8.230 nan 0.000 0.433 120 K N 0.350 120.740 120.400 -0.018 0.000 2.057 120 K HA -0.168 4.142 4.320 -0.017 0.000 0.206 120 K C 2.177 178.726 176.600 -0.085 0.000 1.050 120 K CA 1.256 57.520 56.287 -0.037 0.000 0.935 120 K CB -0.040 32.452 32.500 -0.014 0.000 0.715 120 K HN 0.266 nan 8.250 nan 0.000 0.439 121 A N 1.544 124.289 122.820 -0.126 0.000 1.877 121 A HA -0.145 4.164 4.320 -0.017 0.000 0.216 121 A C 2.122 179.556 177.584 -0.250 0.000 1.186 121 A CA 1.304 53.226 52.037 -0.193 0.000 0.620 121 A CB -0.628 18.211 19.000 -0.269 0.000 0.822 121 A HN 0.298 nan 8.150 nan 0.000 0.443 122 L N -0.991 120.032 121.223 -0.334 0.000 2.093 122 L HA -0.164 4.165 4.340 -0.017 0.000 0.208 122 L C 3.056 179.827 176.870 -0.166 0.000 1.085 122 L CA 0.993 55.653 54.840 -0.300 0.000 0.755 122 L CB -0.636 41.219 42.059 -0.339 0.000 0.904 122 L HN 0.460 nan 8.230 nan 0.000 0.435 123 A N 0.223 122.969 122.820 -0.123 0.000 1.930 123 A HA -0.087 4.222 4.320 -0.017 0.000 0.217 123 A C 2.479 180.021 177.584 -0.071 0.000 1.175 123 A CA 1.463 53.454 52.037 -0.077 0.000 0.627 123 A CB -0.514 18.454 19.000 -0.054 0.000 0.815 123 A HN 0.380 nan 8.150 nan 0.000 0.443 124 A N -0.600 122.172 122.820 -0.080 0.000 2.121 124 A HA -0.046 4.263 4.320 -0.017 0.000 0.218 124 A C 2.031 179.575 177.584 -0.067 0.000 1.154 124 A CA 1.257 53.254 52.037 -0.067 0.000 0.679 124 A CB -0.271 18.689 19.000 -0.066 0.000 0.795 124 A HN 0.532 nan 8.150 nan 0.000 0.458 125 R N -1.047 119.403 120.500 -0.084 0.000 2.397 125 R HA 0.125 4.455 4.340 -0.017 0.000 0.241 125 R C -0.254 176.006 176.300 -0.067 0.000 0.914 125 R CA 0.097 56.152 56.100 -0.075 0.000 1.071 125 R CB 0.301 30.542 30.300 -0.099 0.000 1.116 125 R HN 0.405 nan 8.270 nan 0.000 0.524 126 N N 0.796 119.457 118.700 -0.065 0.000 2.747 126 N HA -0.174 4.556 4.740 -0.017 0.000 0.249 126 N C -1.006 174.471 175.510 -0.056 0.000 1.107 126 N CA 0.944 53.963 53.050 -0.052 0.000 0.707 126 N CB -1.458 37.005 38.487 -0.039 0.000 1.054 126 N HN 0.254 nan 8.380 nan 0.000 0.555 127 L N 0.211 121.388 121.223 -0.076 0.000 2.309 127 L HA 0.339 4.669 4.340 -0.017 0.000 0.282 127 L C 0.748 177.582 176.870 -0.060 0.000 1.036 127 L CA -0.804 53.990 54.840 -0.076 0.000 0.806 127 L CB 1.184 43.179 42.059 -0.107 0.000 1.220 127 L HN -0.088 nan 8.230 nan 0.000 0.429 128 D N 1.987 122.364 120.400 -0.038 0.000 2.343 128 D HA 0.005 4.635 4.640 -0.017 0.000 0.255 128 D C 0.784 177.080 176.300 -0.006 0.000 1.187 128 D CA 0.095 54.084 54.000 -0.017 0.000 0.875 128 D CB 1.874 42.669 40.800 -0.008 0.000 1.136 128 D HN 0.286 nan 8.370 nan 0.000 0.469 129 V N 4.013 123.934 119.914 0.011 0.000 2.469 129 V HA -0.256 3.853 4.120 -0.017 0.000 0.251 129 V C 2.137 178.270 176.094 0.066 0.000 1.064 129 V CA 2.789 65.121 62.300 0.054 0.000 1.066 129 V CB -0.438 31.438 31.823 0.089 0.000 0.667 129 V HN 0.743 nan 8.190 nan 0.000 0.461 130 S N -1.173 114.553 115.700 0.044 0.000 2.507 130 S HA -0.098 4.361 4.470 -0.017 0.000 0.235 130 S C 1.656 176.276 174.600 0.032 0.000 0.988 130 S CA 1.062 59.287 58.200 0.041 0.000 0.944 130 S CB -0.328 62.891 63.200 0.032 0.000 0.762 130 S HN 0.738 nan 8.310 nan 0.000 0.526 131 K N 0.606 121.019 120.400 0.023 0.000 2.358 131 K HA 0.295 4.605 4.320 -0.017 0.000 0.200 131 K C -0.719 175.886 176.600 0.008 0.000 1.030 131 K CA -0.045 56.245 56.287 0.006 0.000 1.097 131 K CB 1.054 33.548 32.500 -0.010 0.000 0.862 131 K HN 0.210 nan 8.250 nan 0.000 0.534 132 V N 3.780 123.718 119.914 0.039 0.000 2.334 132 V HA 0.184 4.294 4.120 -0.017 0.000 0.267 132 V C 0.175 176.337 176.094 0.114 0.000 1.040 132 V CA -0.691 61.650 62.300 0.068 0.000 0.866 132 V CB 0.540 32.411 31.823 0.080 0.000 1.019 132 V HN 0.158 nan 8.190 nan 0.000 0.468 133 R N 3.352 123.902 120.500 0.084 0.000 2.490 133 R HA 0.581 4.911 4.340 -0.017 0.000 0.278 133 R C -0.686 175.718 176.300 0.174 0.000 1.069 133 R CA -0.456 55.692 56.100 0.079 0.000 1.080 133 R CB 1.701 31.980 30.300 -0.036 0.000 1.030 133 R HN 0.425 nan 8.270 nan 0.000 0.491 134 V N 1.693 121.709 119.914 0.170 0.000 2.487 134 V HA 0.397 4.507 4.120 -0.017 0.000 0.298 134 V C -0.049 176.179 176.094 0.224 0.000 1.028 134 V CA -1.084 61.356 62.300 0.233 0.000 0.860 134 V CB 1.747 33.658 31.823 0.148 0.000 0.991 134 V HN 0.850 nan 8.190 nan 0.000 0.427 135 A N 7.724 130.755 122.820 0.351 0.000 2.343 135 A HA 0.662 4.972 4.320 -0.017 0.000 0.305 135 A C -2.321 175.465 177.584 0.336 0.000 1.308 135 A CA -1.389 50.874 52.037 0.377 0.000 0.949 135 A CB 0.122 19.511 19.000 0.648 0.000 1.148 135 A HN 0.574 nan 8.150 nan 0.000 0.545 136 P HA 0.373 nan 4.420 nan 0.000 0.280 136 P C -0.806 176.685 177.300 0.319 0.000 1.386 136 P CA 0.190 63.456 63.100 0.276 0.000 0.899 136 P CB 0.478 32.391 31.700 0.353 0.000 1.098 137 L N 1.977 123.363 121.223 0.272 0.000 2.322 137 L HA 0.503 4.833 4.340 -0.017 0.000 0.269 137 L C 1.060 178.037 176.870 0.179 0.000 1.012 137 L CA -1.099 53.892 54.840 0.252 0.000 0.815 137 L CB 1.454 43.640 42.059 0.212 0.000 1.295 137 L HN 0.255 nan 8.230 nan 0.000 0.438 138 S N 0.090 115.891 115.700 0.169 0.000 2.573 138 S HA 0.222 4.682 4.470 -0.017 0.000 0.277 138 S C 0.737 175.421 174.600 0.140 0.000 1.346 138 S CA -0.054 58.206 58.200 0.100 0.000 1.034 138 S CB 1.339 64.636 63.200 0.161 0.000 0.879 138 S HN 0.742 nan 8.310 nan 0.000 0.528 139 A N 2.642 125.493 122.820 0.051 0.000 1.997 139 A HA 0.593 4.903 4.320 -0.017 0.000 0.212 139 A C 1.503 179.221 177.584 0.224 0.000 1.178 139 A CA 0.599 52.640 52.037 0.006 0.000 0.698 139 A CB -1.390 17.520 19.000 -0.149 0.000 0.842 139 A HN 2.317 nan 8.150 nan 0.000 0.458 140 G N -1.680 107.235 108.800 0.191 0.000 2.698 140 G HA2 -0.041 3.908 3.960 -0.017 0.000 0.233 140 G HA3 -0.041 3.908 3.960 -0.017 0.000 0.233 140 G C -0.438 174.431 174.900 -0.052 0.000 1.352 140 G CA -0.260 44.928 45.100 0.146 0.000 0.879 140 G HN 1.061 nan 8.290 nan 0.000 0.567 141 V N 1.126 120.797 119.914 -0.405 0.000 2.443 141 V HA 0.751 4.860 4.120 -0.017 0.000 0.293 141 V C -0.141 175.463 176.094 -0.817 0.000 1.021 141 V CA -0.299 61.768 62.300 -0.389 0.000 0.848 141 V CB 1.041 32.684 31.823 -0.300 0.000 0.998 141 V HN 0.681 nan 8.190 nan 0.000 0.424 142 F N 1.837 121.803 119.950 0.026 0.000 3.208 142 F HA 0.438 4.954 4.527 -0.017 0.000 0.286 142 F C 1.537 177.241 175.800 -0.159 0.000 1.532 142 F CA -0.611 57.366 58.000 -0.038 0.000 1.004 142 F CB 0.389 39.396 39.000 0.012 0.000 1.777 142 F HN 0.452 nan 8.300 nan 0.000 0.384 143 E N 0.549 120.632 120.200 -0.195 0.000 2.465 143 E HA -0.027 4.312 4.350 -0.017 0.000 0.191 143 E C -1.053 175.374 176.600 -0.287 0.000 1.053 143 E CA 0.272 56.507 56.400 -0.276 0.000 0.869 143 E CB -0.733 28.805 29.700 -0.270 0.000 0.977 143 E HN 0.530 nan 8.360 nan 0.000 0.483 144 Y N 1.085 121.439 120.300 0.090 0.000 2.650 144 Y HA 0.459 4.998 4.550 -0.017 0.000 0.343 144 Y C 1.570 177.489 175.900 0.031 0.000 1.078 144 Y CA -0.180 57.959 58.100 0.066 0.000 1.356 144 Y CB 0.872 39.374 38.460 0.069 0.000 1.204 144 Y HN 0.064 nan 8.280 nan 0.000 0.508 145 A N 2.274 125.171 122.820 0.129 0.000 2.032 145 A HA -0.210 4.100 4.320 -0.017 0.000 0.221 145 A C 2.085 179.710 177.584 0.067 0.000 1.165 145 A CA 1.797 53.877 52.037 0.071 0.000 0.645 145 A CB -0.259 18.769 19.000 0.046 0.000 0.807 145 A HN 0.730 nan 8.150 nan 0.000 0.453 146 E N 0.625 120.879 120.200 0.090 0.000 2.511 146 E HA -0.106 4.234 4.350 -0.017 0.000 0.196 146 E C 0.889 177.511 176.600 0.037 0.000 1.066 146 E CA 0.953 57.386 56.400 0.055 0.000 0.871 146 E CB -0.373 29.360 29.700 0.055 0.000 0.863 146 E HN 0.769 nan 8.360 nan 0.000 0.520 147 E N 0.753 120.983 120.200 0.050 0.000 2.400 147 E HA 0.094 4.434 4.350 -0.017 0.000 0.195 147 E C 0.099 176.698 176.600 -0.002 0.000 1.012 147 E CA -0.235 56.173 56.400 0.015 0.000 0.875 147 E CB 0.198 29.909 29.700 0.018 0.000 0.859 147 E HN 0.156 nan 8.360 nan 0.000 0.498 148 R N 0.634 121.137 120.500 0.005 0.000 2.446 148 R HA 0.155 4.485 4.340 -0.017 0.000 0.314 148 R C 0.863 177.149 176.300 -0.022 0.000 1.003 148 R CA 0.749 56.842 56.100 -0.011 0.000 1.018 148 R CB 0.230 30.525 30.300 -0.008 0.000 0.945 148 R HN 0.284 nan 8.270 nan 0.000 0.419 149 G N 2.580 111.359 108.800 -0.035 0.000 2.234 149 G HA2 -0.269 3.680 3.960 -0.017 0.000 0.235 149 G HA3 -0.269 3.680 3.960 -0.017 0.000 0.235 149 G C 0.142 175.016 174.900 -0.043 0.000 0.997 149 G CA -0.408 44.665 45.100 -0.044 0.000 0.623 149 G HN 0.510 nan 8.290 nan 0.000 0.514 150 R N 0.117 120.595 120.500 -0.037 0.000 2.598 150 R HA 0.618 4.948 4.340 -0.017 0.000 0.279 150 R C -0.162 176.106 176.300 -0.052 0.000 0.984 150 R CA -0.873 55.204 56.100 -0.038 0.000 0.999 150 R CB 1.108 31.389 30.300 -0.031 0.000 1.114 150 R HN 0.148 nan 8.270 nan 0.000 0.493 151 R N 2.141 122.607 120.500 -0.056 0.000 2.230 151 R HA 0.327 4.657 4.340 -0.017 0.000 0.337 151 R C -0.183 176.061 176.300 -0.094 0.000 1.063 151 R CA -0.298 55.750 56.100 -0.085 0.000 0.935 151 R CB 0.455 30.694 30.300 -0.102 0.000 1.121 151 R HN 0.306 nan 8.270 nan 0.000 0.486 152 I N 4.193 124.702 120.570 -0.102 0.000 2.525 152 I HA 0.434 4.594 4.170 -0.017 0.000 0.301 152 I C 0.131 176.170 176.117 -0.131 0.000 0.992 152 I CA -0.800 60.430 61.300 -0.117 0.000 1.162 152 I CB 1.570 39.486 38.000 -0.141 0.000 1.332 152 I HN 0.472 nan 8.210 nan 0.000 0.458 153 L N 4.974 126.120 121.223 -0.127 0.000 2.422 153 L HA 0.512 4.841 4.340 -0.017 0.000 0.264 153 L C -0.340 176.446 176.870 -0.141 0.000 0.984 153 L CA -0.791 53.988 54.840 -0.102 0.000 0.819 153 L CB 2.592 44.628 42.059 -0.039 0.000 1.330 153 L HN 0.526 nan 8.230 nan 0.000 0.410 154 R N 1.223 121.600 120.500 -0.204 0.000 2.460 154 R HA 0.646 4.975 4.340 -0.017 0.000 0.303 154 R C -0.141 176.125 176.300 -0.055 0.000 0.968 154 R CA -0.699 55.225 56.100 -0.294 0.000 0.889 154 R CB 1.972 31.676 30.300 -0.992 0.000 1.123 154 R HN 0.733 nan 8.270 nan 0.000 0.455 155 G N 2.778 111.589 108.800 0.020 0.000 2.461 155 G HA2 0.590 4.540 3.960 -0.017 0.000 0.323 155 G HA3 0.590 4.540 3.960 -0.017 0.000 0.323 155 G C -0.832 174.242 174.900 0.290 0.000 1.229 155 G CA -0.632 44.547 45.100 0.132 0.000 0.941 155 G HN 0.305 nan 8.290 nan 0.000 0.477 156 L N 1.465 122.932 121.223 0.407 0.000 2.365 156 L HA 0.683 5.012 4.340 -0.017 0.000 0.273 156 L C 0.515 177.566 176.870 0.303 0.000 1.000 156 L CA -0.989 54.089 54.840 0.396 0.000 0.819 156 L CB 2.199 44.575 42.059 0.529 0.000 1.284 156 L HN 0.634 nan 8.230 nan 0.000 0.418 157 A N 3.034 125.918 122.820 0.107 0.000 2.310 157 A HA 0.825 5.135 4.320 -0.017 0.000 0.299 157 A C -1.154 176.158 177.584 -0.454 0.000 1.147 157 A CA -0.096 51.951 52.037 0.017 0.000 0.818 157 A CB 0.360 19.383 19.000 0.038 0.000 1.096 157 A HN 0.499 nan 8.150 nan 0.000 0.495 158 F N 0.811 120.734 119.950 -0.045 0.000 2.581 158 F HA 0.426 4.943 4.527 -0.017 0.000 0.311 158 F C -0.142 175.601 175.800 -0.097 0.000 1.113 158 F CA -0.661 57.266 58.000 -0.123 0.000 0.935 158 F CB 2.273 41.082 39.000 -0.319 0.000 1.232 158 F HN 0.313 nan 8.300 nan 0.000 0.445 159 V N 2.891 122.864 119.914 0.097 0.000 2.498 159 V HA 0.299 4.409 4.120 -0.017 0.000 0.279 159 V C -0.307 175.800 176.094 0.021 0.000 1.048 159 V CA -0.506 61.808 62.300 0.023 0.000 0.967 159 V CB 1.363 33.157 31.823 -0.049 0.000 0.988 159 V HN 0.739 nan 8.190 nan 0.000 0.473 160 Q N 2.738 122.509 119.800 -0.049 0.000 2.368 160 Q HA 0.248 4.578 4.340 -0.017 0.000 0.263 160 Q C -0.080 175.840 176.000 -0.134 0.000 1.009 160 Q CA -0.623 55.110 55.803 -0.116 0.000 0.818 160 Q CB 1.334 29.990 28.738 -0.137 0.000 1.239 160 Q HN 0.761 nan 8.270 nan 0.000 0.464 161 D N 3.347 123.634 120.400 -0.189 0.000 2.224 161 D HA 0.007 4.636 4.640 -0.017 0.000 0.205 161 D C 0.101 176.478 176.300 0.129 0.000 0.965 161 D CA 1.140 55.115 54.000 -0.040 0.000 0.852 161 D CB 0.205 41.040 40.800 0.060 0.000 0.947 161 D HN 0.406 nan 8.370 nan 0.000 0.494 162 F N -3.688 116.250 119.950 -0.020 0.000 2.685 162 F HA 0.433 4.950 4.527 -0.017 0.000 0.315 162 F C -2.390 173.397 175.800 -0.021 0.000 1.126 162 F CA -2.306 55.681 58.000 -0.021 0.000 0.950 162 F CB 0.491 39.476 39.000 -0.026 0.000 1.360 162 F HN -0.424 nan 8.300 nan 0.000 0.469 163 P HA -0.103 nan 4.420 nan 0.000 0.216 163 P C 0.203 177.495 177.300 -0.013 0.000 1.150 163 P CA 1.860 64.987 63.100 0.045 0.000 0.837 163 P CB 0.132 31.881 31.700 0.080 0.000 0.786 164 E N -1.208 119.036 120.200 0.074 0.000 2.444 164 E HA 0.087 4.427 4.350 -0.017 0.000 0.191 164 E C -0.064 176.411 176.600 -0.208 0.000 1.041 164 E CA -0.017 56.391 56.400 0.012 0.000 0.883 164 E CB -0.676 29.110 29.700 0.143 0.000 1.024 164 E HN 0.277 nan 8.360 nan 0.000 0.470 165 D N -0.003 120.021 120.400 -0.627 0.000 2.304 165 D HA 0.108 4.738 4.640 -0.017 0.000 0.247 165 D C -0.574 175.480 176.300 -0.410 0.000 1.089 165 D CA -0.231 53.240 54.000 -0.881 0.000 0.910 165 D CB 0.998 40.890 40.800 -1.513 0.000 1.199 165 D HN -0.120 nan 8.370 nan 0.000 0.426 166 S N 2.267 117.794 115.700 -0.288 0.000 2.409 166 S HA 0.425 4.885 4.470 -0.017 0.000 0.308 166 S C 1.020 175.555 174.600 -0.109 0.000 1.080 166 S CA -0.281 57.834 58.200 -0.141 0.000 1.081 166 S CB 0.227 63.376 63.200 -0.084 0.000 1.009 166 S HN 0.509 nan 8.310 nan 0.000 0.502 167 A N 4.811 127.471 122.820 -0.267 0.000 2.070 167 A HA -0.033 4.277 4.320 -0.017 0.000 0.220 167 A C 1.411 178.881 177.584 -0.190 0.000 1.159 167 A CA 0.897 52.797 52.037 -0.228 0.000 0.656 167 A CB -0.727 18.050 19.000 -0.371 0.000 0.800 167 A HN 0.989 nan 8.150 nan 0.000 0.453 168 W N -0.173 121.086 121.300 -0.069 0.000 2.387 168 W HA -0.029 4.621 4.660 -0.017 0.000 0.272 168 W C 2.378 179.028 176.519 0.217 0.000 1.224 168 W CA 0.808 58.100 57.345 -0.088 0.000 1.210 168 W CB -0.152 29.241 29.460 -0.112 0.000 1.125 168 W HN 0.372 nan 8.180 nan 0.000 0.572 169 A N -0.791 122.232 122.820 0.339 0.000 2.167 169 A HA -0.052 4.258 4.320 -0.017 0.000 0.214 169 A C 0.575 178.005 177.584 -0.258 0.000 1.151 169 A CA 0.777 52.901 52.037 0.144 0.000 0.735 169 A CB -0.559 18.431 19.000 -0.016 0.000 0.802 169 A HN 0.325 nan 8.150 nan 0.000 0.467 170 H N -0.030 119.172 119.070 0.219 0.000 2.336 170 H HA 0.249 4.795 4.556 -0.017 0.000 0.230 170 H C -2.906 172.448 175.328 0.044 0.000 1.426 170 H CA -2.158 53.955 56.048 0.108 0.000 1.359 170 H CB -0.090 29.713 29.762 0.067 0.000 1.555 170 H HN 0.361 nan 8.280 nan 0.000 0.512 171 P HA 0.031 nan 4.420 nan 0.000 0.275 171 P C 0.240 177.368 177.300 -0.288 0.000 1.228 171 P CA -0.345 62.540 63.100 -0.358 0.000 0.786 171 P CB 2.056 33.568 31.700 -0.313 0.000 0.927 172 V N 3.170 122.841 119.914 -0.406 0.000 2.239 172 V HA 0.159 4.269 4.120 -0.017 0.000 0.267 172 V C 0.631 176.569 176.094 -0.260 0.000 1.056 172 V CA -0.359 61.789 62.300 -0.254 0.000 0.830 172 V CB 0.275 31.952 31.823 -0.243 0.000 1.090 172 V HN 0.535 nan 8.190 nan 0.000 0.459 173 D N 2.902 123.144 120.400 -0.263 0.000 2.377 173 D HA 0.412 5.042 4.640 -0.017 0.000 0.245 173 D C 1.318 177.503 176.300 -0.192 0.000 1.196 173 D CA 1.424 55.188 54.000 -0.393 0.000 0.962 173 D CB 1.778 42.051 40.800 -0.878 0.000 1.127 173 D HN 0.723 nan 8.370 nan 0.000 0.471 174 G N 0.132 108.832 108.800 -0.167 0.000 2.179 174 G HA2 -0.215 3.735 3.960 -0.017 0.000 0.260 174 G HA3 -0.215 3.735 3.960 -0.017 0.000 0.260 174 G C -0.113 174.820 174.900 0.056 0.000 0.977 174 G CA 0.588 45.761 45.100 0.122 0.000 0.641 174 G HN 0.504 nan 8.290 nan 0.000 0.533 175 L N -0.132 121.094 121.223 0.004 0.000 2.431 175 L HA 0.933 5.262 4.340 -0.017 0.000 0.266 175 L C -0.791 176.155 176.870 0.126 0.000 0.978 175 L CA -1.049 53.801 54.840 0.018 0.000 0.822 175 L CB 2.426 44.413 42.059 -0.119 0.000 1.310 175 L HN 0.686 nan 8.230 nan 0.000 0.409 176 V N 3.579 123.606 119.914 0.189 0.000 3.000 176 V HA 0.943 5.052 4.120 -0.017 0.000 0.300 176 V C -1.534 174.625 176.094 0.108 0.000 1.251 176 V CA 0.278 62.724 62.300 0.244 0.000 0.972 176 V CB 2.103 34.100 31.823 0.289 0.000 1.065 176 V HN 1.213 nan 8.190 nan 0.000 0.431 177 A N 5.323 128.184 122.820 0.069 0.000 2.374 177 A HA 0.900 5.209 4.320 -0.017 0.000 0.305 177 A C -1.824 175.709 177.584 -0.084 0.000 1.053 177 A CA -0.434 51.515 52.037 -0.147 0.000 0.726 177 A CB 1.335 20.177 19.000 -0.264 0.000 1.229 177 A HN 0.824 nan 8.150 nan 0.000 0.431 178 Y N 1.105 121.255 120.300 -0.251 0.000 2.320 178 Y HA 0.565 5.105 4.550 -0.017 0.000 0.334 178 Y C 0.102 175.867 175.900 -0.226 0.000 1.055 178 Y CA -1.548 56.377 58.100 -0.292 0.000 1.143 178 Y CB 1.327 39.572 38.460 -0.359 0.000 1.193 178 Y HN 0.340 nan 8.280 nan 0.000 0.477 179 V N 3.369 123.255 119.914 -0.047 0.000 2.588 179 V HA 0.223 4.332 4.120 -0.017 0.000 0.304 179 V C -0.541 175.509 176.094 -0.074 0.000 1.042 179 V CA -1.132 61.120 62.300 -0.080 0.000 0.877 179 V CB 2.195 33.953 31.823 -0.109 0.000 0.996 179 V HN 0.666 nan 8.190 nan 0.000 0.425 180 D N 3.138 123.500 120.400 -0.062 0.000 2.316 180 D HA 0.172 4.802 4.640 -0.017 0.000 0.245 180 D C 0.906 177.173 176.300 -0.055 0.000 1.171 180 D CA -0.199 53.767 54.000 -0.056 0.000 0.856 180 D CB 2.068 42.843 40.800 -0.041 0.000 1.090 180 D HN 0.434 nan 8.370 nan 0.000 0.476 181 V N 2.185 122.060 119.914 -0.065 0.000 3.461 181 V HA -0.017 4.093 4.120 -0.017 0.000 0.267 181 V C 1.577 177.653 176.094 -0.030 0.000 1.186 181 V CA 0.290 62.553 62.300 -0.061 0.000 1.154 181 V CB -0.105 31.659 31.823 -0.099 0.000 0.802 181 V HN 0.395 nan 8.190 nan 0.000 0.474 182 V N 1.395 121.301 119.914 -0.013 0.000 2.436 182 V HA -0.038 4.072 4.120 -0.017 0.000 0.240 182 V C 2.730 178.827 176.094 0.004 0.000 1.040 182 V CA 1.790 64.104 62.300 0.022 0.000 1.052 182 V CB -0.025 31.827 31.823 0.047 0.000 0.707 182 V HN 0.703 nan 8.190 nan 0.000 0.469 183 S N -0.967 114.728 115.700 -0.009 0.000 2.562 183 S HA -0.046 4.414 4.470 -0.017 0.000 0.221 183 S C 0.830 175.420 174.600 -0.016 0.000 0.975 183 S CA -0.015 58.178 58.200 -0.012 0.000 0.918 183 S CB -0.251 62.940 63.200 -0.016 0.000 0.772 183 S HN 0.477 nan 8.310 nan 0.000 0.531 184 K N 0.985 121.373 120.400 -0.020 0.000 3.150 184 K HA -0.143 4.167 4.320 -0.017 0.000 0.267 184 K C -0.847 175.733 176.600 -0.034 0.000 1.028 184 K CA 0.937 57.209 56.287 -0.026 0.000 0.753 184 K CB -2.394 30.096 32.500 -0.017 0.000 1.288 184 K HN 0.757 nan 8.250 nan 0.000 0.473 185 E N -0.372 119.805 120.200 -0.039 0.000 2.227 185 E HA 0.454 4.794 4.350 -0.017 0.000 0.268 185 E C -0.353 176.212 176.600 -0.059 0.000 0.907 185 E CA -1.084 55.291 56.400 -0.042 0.000 0.786 185 E CB 2.090 31.771 29.700 -0.032 0.000 1.191 185 E HN -0.056 nan 8.360 nan 0.000 0.411 186 V N 2.775 122.649 119.914 -0.067 0.000 2.334 186 V HA 0.028 4.138 4.120 -0.017 0.000 0.267 186 V C 1.282 177.334 176.094 -0.070 0.000 1.040 186 V CA 0.013 62.258 62.300 -0.091 0.000 0.866 186 V CB 0.623 32.380 31.823 -0.109 0.000 1.019 186 V HN 0.943 nan 8.190 nan 0.000 0.468 187 T N 2.441 116.957 114.554 -0.063 0.000 2.942 187 T HA 0.152 4.492 4.350 -0.017 0.000 0.265 187 T C 0.842 175.493 174.700 -0.082 0.000 1.062 187 T CA 0.545 62.616 62.100 -0.048 0.000 1.139 187 T CB 0.348 69.204 68.868 -0.020 0.000 0.883 187 T HN 0.480 nan 8.240 nan 0.000 0.468 188 R N -0.550 119.856 120.500 -0.156 0.000 2.629 188 R HA 0.619 4.949 4.340 -0.017 0.000 0.266 188 R C -2.263 173.845 176.300 -0.321 0.000 1.051 188 R CA -0.665 55.270 56.100 -0.274 0.000 0.895 188 R CB 2.839 32.842 30.300 -0.496 0.000 1.246 188 R HN 0.080 nan 8.270 nan 0.000 0.459 189 V N 4.409 124.192 119.914 -0.219 0.000 2.488 189 V HA 0.448 4.558 4.120 -0.017 0.000 0.293 189 V C -0.477 175.551 176.094 -0.109 0.000 1.027 189 V CA -0.571 61.670 62.300 -0.098 0.000 0.862 189 V CB 1.760 33.621 31.823 0.063 0.000 1.008 189 V HN 0.581 nan 8.190 nan 0.000 0.428 190 I N 4.104 124.590 120.570 -0.140 0.000 2.339 190 I HA 0.458 4.618 4.170 -0.017 0.000 0.290 190 I C -0.641 175.473 176.117 -0.006 0.000 0.994 190 I CA -0.082 61.167 61.300 -0.085 0.000 1.191 190 I CB 1.588 39.514 38.000 -0.123 0.000 1.343 190 I HN 0.514 nan 8.210 nan 0.000 0.458 191 D N 4.814 125.216 120.400 0.003 0.000 2.462 191 D HA 0.164 4.793 4.640 -0.017 0.000 0.245 191 D C 0.863 177.181 176.300 0.030 0.000 1.122 191 D CA -0.345 53.662 54.000 0.012 0.000 0.864 191 D CB 1.531 42.324 40.800 -0.012 0.000 1.098 191 D HN 0.622 nan 8.370 nan 0.000 0.541 192 T N 0.340 114.933 114.554 0.065 0.000 3.081 192 T HA 0.438 4.778 4.350 -0.017 0.000 0.255 192 T C 0.997 175.741 174.700 0.074 0.000 1.113 192 T CA 0.292 62.440 62.100 0.081 0.000 1.082 192 T CB 0.358 69.299 68.868 0.122 0.000 0.939 192 T HN 0.554 nan 8.240 nan 0.000 0.506 193 G N 0.208 109.054 108.800 0.076 0.000 2.337 193 G HA2 0.319 4.268 3.960 -0.017 0.000 0.310 193 G HA3 0.319 4.268 3.960 -0.017 0.000 0.310 193 G C -1.294 173.637 174.900 0.050 0.000 1.534 193 G CA -0.482 44.627 45.100 0.015 0.000 0.982 193 G HN 0.458 nan 8.290 nan 0.000 0.672 194 V N 0.665 120.555 119.914 -0.040 0.000 2.614 194 V HA 0.772 4.882 4.120 -0.017 0.000 0.291 194 V C -0.560 175.489 176.094 -0.075 0.000 1.049 194 V CA -0.128 62.165 62.300 -0.013 0.000 1.038 194 V CB 0.559 32.351 31.823 -0.050 0.000 0.980 194 V HN 0.662 nan 8.190 nan 0.000 0.481 195 F N 5.257 125.171 119.950 -0.061 0.000 2.565 195 F HA 0.630 5.147 4.527 -0.017 0.000 0.313 195 F C -2.018 173.754 175.800 -0.047 0.000 1.091 195 F CA -1.994 55.975 58.000 -0.051 0.000 0.915 195 F CB 2.038 41.005 39.000 -0.056 0.000 1.208 195 F HN 0.408 nan 8.300 nan 0.000 0.453 196 P HA 0.177 nan 4.420 nan 0.000 0.271 196 P C -0.947 176.408 177.300 0.093 0.000 1.216 196 P CA -0.231 62.919 63.100 0.084 0.000 0.771 196 P CB 0.693 32.431 31.700 0.065 0.000 0.864 197 V N 6.668 126.615 119.914 0.056 0.000 2.427 197 V HA 0.138 4.248 4.120 -0.017 0.000 0.268 197 V C -1.826 174.325 176.094 0.096 0.000 1.046 197 V CA -1.437 60.895 62.300 0.053 0.000 0.970 197 V CB 0.290 32.124 31.823 0.019 0.000 1.001 197 V HN 0.590 nan 8.190 nan 0.000 0.476 198 P HA -0.030 nan 4.420 nan 0.000 0.259 198 P C 0.482 177.941 177.300 0.265 0.000 1.163 198 P CA 0.486 63.663 63.100 0.128 0.000 0.760 198 P CB 0.707 32.440 31.700 0.054 0.000 0.762 199 A N 3.803 126.743 122.820 0.201 0.000 2.030 199 A HA -0.015 4.295 4.320 -0.017 0.000 0.215 199 A C 0.766 178.546 177.584 0.326 0.000 1.164 199 A CA 0.520 52.701 52.037 0.241 0.000 0.697 199 A CB -0.342 18.734 19.000 0.126 0.000 0.827 199 A HN 0.558 nan 8.150 nan 0.000 0.457 200 E N 1.053 121.382 120.200 0.215 0.000 2.384 200 E HA 0.239 4.578 4.350 -0.017 0.000 0.266 200 E C -0.406 176.338 176.600 0.239 0.000 1.012 200 E CA -0.237 56.263 56.400 0.166 0.000 0.901 200 E CB 0.343 30.098 29.700 0.091 0.000 0.967 200 E HN 0.728 nan 8.360 nan 0.000 0.435 201 H N -0.130 119.092 119.070 0.254 0.000 2.562 201 H HA 0.377 4.923 4.556 -0.017 0.000 0.352 201 H C 0.458 175.876 175.328 0.150 0.000 1.125 201 H CA -0.985 55.187 56.048 0.207 0.000 1.379 201 H CB 1.062 30.986 29.762 0.269 0.000 1.464 201 H HN 0.508 nan 8.280 nan 0.000 0.563 202 G N 2.408 111.398 108.800 0.317 0.000 4.486 202 G HA2 0.086 4.036 3.960 -0.017 0.000 0.306 202 G HA3 0.086 4.036 3.960 -0.017 0.000 0.306 202 G C -0.701 174.187 174.900 -0.020 0.000 1.331 202 G CA -0.814 44.342 45.100 0.092 0.000 1.113 202 G HN 0.781 nan 8.290 nan 0.000 0.594 203 N N 1.243 120.027 118.700 0.139 0.000 2.663 203 N HA 0.176 4.906 4.740 -0.017 0.000 0.250 203 N C 0.721 176.124 175.510 -0.178 0.000 1.129 203 N CA -0.676 52.231 53.050 -0.238 0.000 0.995 203 N CB 0.351 38.617 38.487 -0.368 0.000 1.324 203 N HN 0.557 nan 8.380 nan 0.000 0.512 204 Y N -0.329 119.938 120.300 -0.055 0.000 2.680 204 Y HA 0.026 4.566 4.550 -0.017 0.000 0.303 204 Y C 0.891 176.772 175.900 -0.031 0.000 1.166 204 Y CA 0.075 58.140 58.100 -0.059 0.000 1.344 204 Y CB -0.412 37.978 38.460 -0.116 0.000 1.002 204 Y HN 0.190 nan 8.280 nan 0.000 0.537 205 T N -1.256 113.255 114.554 -0.071 0.000 3.040 205 T HA 0.038 4.378 4.350 -0.017 0.000 0.266 205 T C -0.351 174.338 174.700 -0.018 0.000 1.005 205 T CA -0.075 62.022 62.100 -0.004 0.000 0.906 205 T CB -0.082 68.766 68.868 -0.033 0.000 1.082 205 T HN 0.253 nan 8.240 nan 0.000 0.531 206 D N 2.111 122.492 120.400 -0.032 0.000 2.316 206 D HA 0.240 4.870 4.640 -0.017 0.000 0.245 206 D C -1.769 174.554 176.300 0.039 0.000 1.171 206 D CA -2.425 51.565 54.000 -0.016 0.000 0.856 206 D CB 1.698 42.451 40.800 -0.078 0.000 1.090 206 D HN -0.102 nan 8.370 nan 0.000 0.476 207 P HA -0.177 nan 4.420 nan 0.000 0.218 207 P C 0.963 178.295 177.300 0.053 0.000 1.146 207 P CA 0.800 63.921 63.100 0.035 0.000 0.813 207 P CB 0.204 31.916 31.700 0.019 0.000 0.778 208 E N -0.724 119.522 120.200 0.077 0.000 2.204 208 E HA -0.160 4.179 4.350 -0.017 0.000 0.194 208 E C 1.570 178.240 176.600 0.117 0.000 0.989 208 E CA 0.892 57.353 56.400 0.101 0.000 0.824 208 E CB -0.265 29.522 29.700 0.145 0.000 0.756 208 E HN 0.167 nan 8.360 nan 0.000 0.477 209 L N 0.314 121.630 121.223 0.154 0.000 2.286 209 L HA 0.007 4.336 4.340 -0.017 0.000 0.203 209 L C 2.521 179.442 176.870 0.085 0.000 1.068 209 L CA 1.846 56.768 54.840 0.136 0.000 0.811 209 L CB -0.421 41.781 42.059 0.238 0.000 0.989 209 L HN 0.152 nan 8.230 nan 0.000 0.467 210 T N -2.552 112.048 114.554 0.078 0.000 2.857 210 T HA 0.363 4.702 4.350 -0.017 0.000 0.266 210 T C 1.225 175.949 174.700 0.040 0.000 1.048 210 T CA 0.594 62.727 62.100 0.055 0.000 1.139 210 T CB -0.790 68.109 68.868 0.052 0.000 0.874 210 T HN 0.747 nan 8.240 nan 0.000 0.455 211 G N 1.869 110.693 108.800 0.040 0.000 2.681 211 G HA2 -0.032 3.918 3.960 -0.017 0.000 0.220 211 G HA3 -0.032 3.918 3.960 -0.017 0.000 0.220 211 G C -2.839 172.076 174.900 0.024 0.000 1.353 211 G CA -0.686 44.432 45.100 0.030 0.000 0.872 211 G HN 0.579 nan 8.290 nan 0.000 0.557 212 P HA 0.430 nan 4.420 nan 0.000 0.271 212 P C 0.341 177.649 177.300 0.014 0.000 1.216 212 P CA -0.325 62.784 63.100 0.014 0.000 0.771 212 P CB 0.441 32.147 31.700 0.011 0.000 0.864 213 L N 3.422 124.653 121.223 0.013 0.000 2.397 213 L HA 0.250 4.580 4.340 -0.017 0.000 0.271 213 L C 1.174 178.049 176.870 0.008 0.000 1.148 213 L CA -0.491 54.356 54.840 0.011 0.000 0.825 213 L CB 0.226 42.292 42.059 0.011 0.000 1.117 213 L HN 0.354 nan 8.230 nan 0.000 0.456 214 R N 0.749 121.252 120.500 0.006 0.000 2.523 214 R HA -0.040 4.290 4.340 -0.017 0.000 0.281 214 R C 0.846 177.147 176.300 0.002 0.000 0.969 214 R CA 0.612 56.714 56.100 0.003 0.000 1.093 214 R CB 0.204 30.505 30.300 0.000 0.000 0.917 214 R HN 0.729 nan 8.270 nan 0.000 0.408 215 T N -3.105 111.450 114.554 0.002 0.000 3.085 215 T HA -0.016 4.324 4.350 -0.017 0.000 0.264 215 T C 1.399 176.099 174.700 0.000 0.000 1.019 215 T CA 0.183 62.284 62.100 0.002 0.000 0.910 215 T CB 0.396 69.265 68.868 0.002 0.000 1.059 215 T HN 0.667 nan 8.240 nan 0.000 0.542 216 T N -0.329 114.224 114.554 -0.001 0.000 3.067 216 T HA 0.094 4.434 4.350 -0.017 0.000 0.261 216 T C 0.782 175.479 174.700 -0.003 0.000 1.110 216 T CA 0.030 62.129 62.100 -0.002 0.000 1.113 216 T CB -0.395 68.471 68.868 -0.003 0.000 0.917 216 T HN 0.416 nan 8.240 nan 0.000 0.499 217 Q N 1.678 121.476 119.800 -0.003 0.000 2.296 217 Q HA 0.377 4.707 4.340 -0.017 0.000 0.263 217 Q C -0.780 175.218 176.000 -0.003 0.000 1.026 217 Q CA -0.202 55.599 55.803 -0.004 0.000 0.912 217 Q CB 0.842 29.578 28.738 -0.005 0.000 1.198 217 Q HN 0.160 nan 8.270 nan 0.000 0.407 218 K N 3.187 123.584 120.400 -0.004 0.000 2.098 218 K HA 0.375 4.685 4.320 -0.017 0.000 0.258 218 K C -2.176 174.423 176.600 -0.002 0.000 0.973 218 K CA -1.693 54.593 56.287 -0.002 0.000 0.898 218 K CB 0.388 32.887 32.500 -0.003 0.000 1.057 218 K HN 0.409 nan 8.250 nan 0.000 0.447 219 P HA 0.167 nan 4.420 nan 0.000 0.271 219 P C -0.752 176.549 177.300 0.002 0.000 1.216 219 P CA 0.079 63.180 63.100 0.001 0.000 0.776 219 P CB 0.514 32.216 31.700 0.003 0.000 0.881 220 I N 1.476 122.048 120.570 0.003 0.000 2.382 220 I HA 0.128 4.287 4.170 -0.017 0.000 0.285 220 I C 0.374 176.495 176.117 0.008 0.000 1.007 220 I CA -0.467 60.836 61.300 0.004 0.000 1.142 220 I CB 1.623 39.625 38.000 0.003 0.000 1.289 220 I HN 0.288 nan 8.210 nan 0.000 0.453 221 S N 7.771 123.477 115.700 0.010 0.000 2.420 221 S HA 0.571 5.030 4.470 -0.017 0.000 0.313 221 S C -0.411 174.200 174.600 0.018 0.000 1.079 221 S CA -0.499 57.709 58.200 0.013 0.000 1.104 221 S CB 0.149 63.356 63.200 0.012 0.000 0.969 221 S HN 0.428 nan 8.310 nan 0.000 0.471 222 I N 5.681 126.264 120.570 0.022 0.000 2.306 222 I HA 0.298 4.458 4.170 -0.017 0.000 0.288 222 I C 0.538 176.674 176.117 0.033 0.000 1.036 222 I CA -0.350 60.970 61.300 0.033 0.000 1.221 222 I CB 1.201 39.225 38.000 0.041 0.000 1.385 222 I HN 0.587 nan 8.210 nan 0.000 0.472 223 T N 1.987 116.562 114.554 0.035 0.000 2.930 223 T HA 0.508 4.848 4.350 -0.017 0.000 0.290 223 T C -0.527 174.197 174.700 0.041 0.000 1.052 223 T CA -0.892 61.227 62.100 0.033 0.000 1.017 223 T CB 2.205 71.088 68.868 0.024 0.000 1.137 223 T HN 0.470 nan 8.240 nan 0.000 0.511 224 Q N 1.287 121.109 119.800 0.037 0.000 2.464 224 Q HA 0.264 4.594 4.340 -0.017 0.000 0.256 224 Q C -2.065 173.949 176.000 0.023 0.000 1.020 224 Q CA -1.921 53.906 55.803 0.039 0.000 0.716 224 Q CB 1.935 30.701 28.738 0.048 0.000 1.230 224 Q HN 0.537 nan 8.270 nan 0.000 0.494 225 P HA -0.199 nan 4.420 nan 0.000 0.216 225 P C 0.128 177.433 177.300 0.009 0.000 1.153 225 P CA 1.412 64.521 63.100 0.015 0.000 0.858 225 P CB 0.377 32.087 31.700 0.016 0.000 0.789 226 E N -1.127 119.078 120.200 0.008 0.000 2.499 226 E HA 0.371 4.711 4.350 -0.017 0.000 0.199 226 E C 0.617 177.210 176.600 -0.013 0.000 1.016 226 E CA -0.086 56.314 56.400 -0.000 0.000 0.933 226 E CB 0.152 29.854 29.700 0.003 0.000 1.050 226 E HN 0.146 nan 8.360 nan 0.000 0.462 227 G N 2.793 111.583 108.800 -0.016 0.000 2.756 227 G HA2 -0.186 3.764 3.960 -0.017 0.000 0.678 227 G HA3 -0.186 3.764 3.960 -0.017 0.000 0.678 227 G C -2.695 172.166 174.900 -0.065 0.000 1.349 227 G CA -0.903 44.168 45.100 -0.048 0.000 0.847 227 G HN 0.012 nan 8.290 nan 0.000 0.548 228 P HA 0.364 nan 4.420 nan 0.000 0.274 228 P C 0.621 177.820 177.300 -0.169 0.000 1.256 228 P CA 0.134 63.111 63.100 -0.204 0.000 0.795 228 P CB 1.149 32.483 31.700 -0.610 0.000 1.038 229 S N -0.651 115.079 115.700 0.048 0.000 2.524 229 S HA 0.131 4.591 4.470 -0.017 0.000 0.216 229 S C 0.723 175.485 174.600 0.269 0.000 0.987 229 S CA 0.032 58.330 58.200 0.163 0.000 0.909 229 S CB -0.692 62.663 63.200 0.258 0.000 0.781 229 S HN 0.550 nan 8.310 nan 0.000 0.521 230 F N 2.342 122.488 119.950 0.327 0.000 2.378 230 F HA 0.731 5.247 4.527 -0.017 0.000 0.325 230 F C 0.194 176.078 175.800 0.140 0.000 1.097 230 F CA -1.106 57.062 58.000 0.281 0.000 1.079 230 F CB 0.169 39.303 39.000 0.223 0.000 1.240 230 F HN -0.158 nan 8.300 nan 0.000 0.519 231 T N -0.301 114.430 114.554 0.295 0.000 2.856 231 T HA 0.710 5.049 4.350 -0.017 0.000 0.283 231 T C -0.977 173.868 174.700 0.243 0.000 1.008 231 T CA -0.841 61.361 62.100 0.170 0.000 0.997 231 T CB 1.450 70.395 68.868 0.128 0.000 0.992 231 T HN 0.643 nan 8.240 nan 0.000 0.454 232 V N 2.549 122.583 119.914 0.199 0.000 2.384 232 V HA 0.647 4.757 4.120 -0.017 0.000 0.287 232 V C 0.209 176.395 176.094 0.153 0.000 1.020 232 V CA -0.473 61.940 62.300 0.188 0.000 0.850 232 V CB 1.364 33.301 31.823 0.191 0.000 0.987 232 V HN 1.138 nan 8.190 nan 0.000 0.436 233 T N 2.851 117.513 114.554 0.180 0.000 2.893 233 T HA 0.623 4.963 4.350 -0.017 0.000 0.293 233 T C 0.657 175.452 174.700 0.157 0.000 1.027 233 T CA 0.483 62.681 62.100 0.163 0.000 0.988 233 T CB 1.506 70.488 68.868 0.189 0.000 1.043 233 T HN 1.388 nan 8.240 nan 0.000 0.461 234 G N 1.493 110.355 108.800 0.103 0.000 2.249 234 G HA2 -0.027 3.923 3.960 -0.017 0.000 0.273 234 G HA3 -0.027 3.923 3.960 -0.017 0.000 0.273 234 G C 1.232 176.188 174.900 0.094 0.000 1.036 234 G CA 0.970 46.121 45.100 0.085 0.000 0.824 234 G HN 1.860 nan 8.290 nan 0.000 0.504 235 G N -0.061 108.795 108.800 0.093 0.000 2.609 235 G HA2 -0.304 3.646 3.960 -0.017 0.000 0.235 235 G HA3 -0.304 3.646 3.960 -0.017 0.000 0.235 235 G C 0.957 175.916 174.900 0.099 0.000 1.177 235 G CA 1.321 46.473 45.100 0.087 0.000 0.707 235 G HN 2.209 nan 8.290 nan 0.000 0.513 236 N N -0.330 118.441 118.700 0.119 0.000 2.142 236 N HA 0.100 4.830 4.740 -0.017 0.000 0.233 236 N C -0.223 175.367 175.510 0.132 0.000 1.335 236 N CA 0.175 53.291 53.050 0.111 0.000 0.837 236 N CB -0.333 38.215 38.487 0.103 0.000 1.238 236 N HN 0.624 nan 8.380 nan 0.000 0.501 237 H N 1.099 120.212 119.070 0.071 0.000 2.652 237 H HA 0.382 4.927 4.556 -0.017 0.000 0.298 237 H C -0.925 174.453 175.328 0.084 0.000 1.076 237 H CA -0.363 55.725 56.048 0.068 0.000 1.360 237 H CB 0.925 30.728 29.762 0.068 0.000 1.421 237 H HN -0.047 nan 8.280 nan 0.000 0.464 238 I N 4.756 125.113 120.570 -0.356 0.000 2.392 238 I HA 0.144 4.303 4.170 -0.017 0.000 0.295 238 I C 0.026 176.000 176.117 -0.239 0.000 0.985 238 I CA -0.146 61.043 61.300 -0.186 0.000 1.221 238 I CB 1.669 39.586 38.000 -0.139 0.000 1.366 238 I HN 0.586 nan 8.210 nan 0.000 0.467 239 E N 4.995 125.208 120.200 0.023 0.000 2.216 239 E HA 0.365 4.705 4.350 -0.017 0.000 0.260 239 E C -1.889 174.892 176.600 0.303 0.000 0.880 239 E CA -0.608 55.862 56.400 0.117 0.000 0.765 239 E CB 1.465 31.238 29.700 0.121 0.000 1.174 239 E HN 0.530 nan 8.360 nan 0.000 0.417 240 W N 4.492 125.851 121.300 0.097 0.000 2.968 240 W HA 0.210 4.860 4.660 -0.016 0.000 0.337 240 W C -0.678 175.937 176.519 0.159 0.000 1.060 240 W CA -0.455 56.976 57.345 0.142 0.000 1.240 240 W CB 1.043 30.578 29.460 0.125 0.000 1.370 240 W HN 0.342 nan 8.180 nan 0.000 0.459 241 E N 6.331 126.216 120.200 -0.525 0.000 2.149 241 E HA -0.308 4.032 4.350 -0.017 0.000 0.191 241 E C 0.488 176.795 176.600 -0.487 0.000 1.384 241 E CA 1.727 57.730 56.400 -0.661 0.000 0.698 241 E CB -0.801 28.111 29.700 -1.314 0.000 1.086 241 E HN 0.782 nan 8.360 nan 0.000 0.338 242 K N -4.423 115.724 120.400 -0.423 0.000 3.615 242 K HA -0.239 4.071 4.320 -0.017 0.000 0.269 242 K C 0.324 176.526 176.600 -0.664 0.000 1.107 242 K CA 1.834 57.714 56.287 -0.679 0.000 1.059 242 K CB -1.715 30.009 32.500 -1.293 0.000 1.317 242 K HN 0.317 nan 8.250 nan 0.000 0.494 243 W N 1.737 122.822 121.300 -0.357 0.000 2.237 243 W HA 0.471 5.121 4.660 -0.016 0.000 0.335 243 W C 0.853 177.347 176.519 -0.041 0.000 1.230 243 W CA -0.017 57.264 57.345 -0.107 0.000 1.253 243 W CB 1.181 30.717 29.460 0.127 0.000 1.129 243 W HN 0.018 nan 8.180 nan 0.000 0.590 244 S N 3.316 119.185 115.700 0.283 0.000 2.546 244 S HA 0.816 5.276 4.470 -0.017 0.000 0.272 244 S C -1.130 173.508 174.600 0.063 0.000 1.140 244 S CA -0.743 57.518 58.200 0.101 0.000 0.920 244 S CB 0.216 63.502 63.200 0.144 0.000 1.083 244 S HN 0.561 nan 8.310 nan 0.000 0.476 245 L N 1.016 122.163 121.223 -0.127 0.000 3.079 245 L HA 0.741 5.071 4.340 -0.017 0.000 0.278 245 L C -2.161 174.636 176.870 -0.121 0.000 1.026 245 L CA -1.059 53.726 54.840 -0.091 0.000 0.963 245 L CB 1.616 43.611 42.059 -0.106 0.000 1.526 245 L HN 0.411 nan 8.230 nan 0.000 0.397 246 D N 1.368 121.751 120.400 -0.027 0.000 2.375 246 D HA 0.472 5.102 4.640 -0.017 0.000 0.247 246 D C -0.805 175.523 176.300 0.047 0.000 1.061 246 D CA -0.276 53.764 54.000 0.068 0.000 0.834 246 D CB 3.244 44.131 40.800 0.144 0.000 1.247 246 D HN 0.365 nan 8.370 nan 0.000 0.489 247 V N 2.270 122.205 119.914 0.036 0.000 2.339 247 V HA 0.436 4.546 4.120 -0.017 0.000 0.261 247 V C 0.975 177.130 176.094 0.102 0.000 1.058 247 V CA -0.367 61.937 62.300 0.006 0.000 0.897 247 V CB 0.970 32.776 31.823 -0.028 0.000 1.052 247 V HN 0.590 nan 8.190 nan 0.000 0.480 248 G N 3.146 112.029 108.800 0.138 0.000 2.511 248 G HA2 0.684 4.634 3.960 -0.017 0.000 0.316 248 G HA3 0.684 4.634 3.960 -0.017 0.000 0.316 248 G C -1.465 173.525 174.900 0.149 0.000 1.210 248 G CA -0.447 44.779 45.100 0.210 0.000 0.969 248 G HN 0.482 nan 8.290 nan 0.000 0.492 249 F N 0.030 119.964 119.950 -0.027 0.000 2.588 249 F HA 0.468 4.985 4.527 -0.017 0.000 0.318 249 F C -1.360 174.393 175.800 -0.079 0.000 1.155 249 F CA -0.904 57.031 58.000 -0.108 0.000 0.967 249 F CB 2.461 41.385 39.000 -0.126 0.000 1.236 249 F HN 0.520 nan 8.300 nan 0.000 0.455 250 D N 3.596 123.657 120.400 -0.565 0.000 2.457 250 D HA 0.322 4.952 4.640 -0.017 0.000 0.240 250 D C 0.199 176.197 176.300 -0.504 0.000 1.041 250 D CA -0.515 53.294 54.000 -0.317 0.000 0.861 250 D CB 2.477 43.187 40.800 -0.151 0.000 1.394 250 D HN 0.360 nan 8.370 nan 0.000 0.473 251 V N 3.854 123.663 119.914 -0.176 0.000 2.626 251 V HA -0.090 4.020 4.120 -0.017 0.000 0.252 251 V C 2.081 178.122 176.094 -0.088 0.000 1.067 251 V CA 2.032 64.263 62.300 -0.115 0.000 1.081 251 V CB -0.376 31.426 31.823 -0.035 0.000 0.686 251 V HN 0.600 nan 8.190 nan 0.000 0.468 252 R N -0.236 120.255 120.500 -0.015 0.000 2.048 252 R HA -0.061 4.269 4.340 -0.017 0.000 0.224 252 R C 2.246 178.476 176.300 -0.117 0.000 1.163 252 R CA 1.803 57.868 56.100 -0.059 0.000 0.956 252 R CB -0.277 29.917 30.300 -0.176 0.000 0.849 252 R HN 0.569 nan 8.270 nan 0.000 0.435 253 E N -0.493 119.617 120.200 -0.150 0.000 2.216 253 E HA 0.102 4.442 4.350 -0.017 0.000 0.192 253 E C 0.817 177.207 176.600 -0.350 0.000 0.988 253 E CA 0.456 56.757 56.400 -0.165 0.000 0.834 253 E CB 0.320 29.970 29.700 -0.083 0.000 0.772 253 E HN 0.586 nan 8.360 nan 0.000 0.479 254 G N 0.685 109.070 108.800 -0.693 0.000 2.488 254 G HA2 -0.293 3.656 3.960 -0.017 0.000 0.237 254 G HA3 -0.293 3.656 3.960 -0.017 0.000 0.237 254 G C -0.108 174.124 174.900 -1.113 0.000 1.209 254 G CA -0.352 43.961 45.100 -1.312 0.000 0.929 254 G HN 0.114 nan 8.290 nan 0.000 0.578 255 V N 0.681 120.148 119.914 -0.745 0.000 2.599 255 V HA 0.406 4.516 4.120 -0.017 0.000 0.300 255 V C 0.809 176.800 176.094 -0.171 0.000 1.034 255 V CA 0.363 62.559 62.300 -0.174 0.000 1.115 255 V CB 0.938 32.869 31.823 0.180 0.000 0.934 255 V HN 0.929 nan 8.190 nan 0.000 0.485 256 V N 6.527 126.289 119.914 -0.254 0.000 2.656 256 V HA 0.502 4.612 4.120 -0.017 0.000 0.307 256 V C -0.302 175.449 176.094 -0.570 0.000 1.051 256 V CA -0.684 61.362 62.300 -0.423 0.000 0.893 256 V CB 2.011 33.602 31.823 -0.386 0.000 0.999 256 V HN 0.606 nan 8.190 nan 0.000 0.426 257 L N 4.600 125.366 121.223 -0.762 0.000 2.307 257 L HA 0.654 4.984 4.340 -0.017 0.000 0.284 257 L C -0.552 175.930 176.870 -0.647 0.000 1.023 257 L CA -0.596 53.851 54.840 -0.655 0.000 0.810 257 L CB 1.318 42.926 42.059 -0.751 0.000 1.231 257 L HN 0.626 nan 8.230 nan 0.000 0.423 258 H N 3.326 122.235 119.070 -0.268 0.000 2.569 258 H HA 0.290 4.836 4.556 -0.017 0.000 0.357 258 H C -0.247 174.886 175.328 -0.324 0.000 1.153 258 H CA -0.760 55.106 56.048 -0.303 0.000 1.193 258 H CB 1.910 31.457 29.762 -0.358 0.000 1.602 258 H HN 0.559 nan 8.280 nan 0.000 0.523 259 N N 1.288 119.855 118.700 -0.222 0.000 2.705 259 N HA -0.200 4.530 4.740 -0.017 0.000 0.255 259 N C -0.348 175.109 175.510 -0.089 0.000 1.008 259 N CA 0.494 53.422 53.050 -0.202 0.000 0.742 259 N CB -1.288 37.023 38.487 -0.293 0.000 0.906 259 N HN 0.539 nan 8.380 nan 0.000 0.541 260 I N 0.559 121.084 120.570 -0.076 0.000 2.505 260 I HA 0.220 4.380 4.170 -0.017 0.000 0.287 260 I C 0.999 177.188 176.117 0.120 0.000 1.104 260 I CA 0.216 61.539 61.300 0.038 0.000 1.387 260 I CB 0.464 38.466 38.000 0.004 0.000 1.404 260 I HN 0.337 nan 8.210 nan 0.000 0.528 261 A N 6.962 129.913 122.820 0.219 0.000 2.515 261 A HA 0.779 5.089 4.320 -0.017 0.000 0.296 261 A C -1.511 176.207 177.584 0.224 0.000 1.094 261 A CA -0.441 51.707 52.037 0.185 0.000 0.718 261 A CB 1.493 20.556 19.000 0.105 0.000 1.307 261 A HN 0.509 nan 8.150 nan 0.000 0.408 262 F N 0.501 120.437 119.950 -0.023 0.000 2.493 262 F HA 0.627 5.144 4.527 -0.017 0.000 0.329 262 F C 0.366 176.169 175.800 0.005 0.000 1.126 262 F CA -0.549 57.359 58.000 -0.153 0.000 0.937 262 F CB 1.836 40.681 39.000 -0.258 0.000 1.146 262 F HN 0.602 nan 8.300 nan 0.000 0.442 263 R N 3.957 124.406 120.500 -0.085 0.000 2.429 263 R HA 0.131 4.461 4.340 -0.017 0.000 0.302 263 R C -1.002 175.411 176.300 0.189 0.000 1.268 263 R CA -0.072 56.046 56.100 0.031 0.000 1.090 263 R CB -0.366 29.888 30.300 -0.077 0.000 1.102 263 R HN 0.498 nan 8.270 nan 0.000 0.522 264 D N 3.926 124.516 120.400 0.317 0.000 2.494 264 D HA 0.268 4.898 4.640 -0.017 0.000 0.217 264 D C 0.927 177.325 176.300 0.163 0.000 1.153 264 D CA 1.047 55.253 54.000 0.344 0.000 0.954 264 D CB 0.513 41.523 40.800 0.349 0.000 1.034 264 D HN 0.701 nan 8.370 nan 0.000 0.518 265 G N 4.420 113.292 108.800 0.121 0.000 3.031 265 G HA2 -0.314 3.636 3.960 -0.017 0.000 0.289 265 G HA3 -0.314 3.636 3.960 -0.017 0.000 0.289 265 G C 0.739 175.665 174.900 0.044 0.000 1.393 265 G CA 0.336 45.475 45.100 0.066 0.000 1.010 265 G HN 0.522 nan 8.290 nan 0.000 0.579 266 D N 1.741 122.163 120.400 0.036 0.000 2.417 266 D HA 0.117 4.746 4.640 -0.017 0.000 0.207 266 D C 1.188 177.503 176.300 0.026 0.000 1.075 266 D CA 0.478 54.492 54.000 0.024 0.000 0.851 266 D CB 0.503 41.312 40.800 0.016 0.000 0.976 266 D HN 0.677 nan 8.370 nan 0.000 0.505 267 R N 1.068 121.589 120.500 0.034 0.000 2.393 267 R HA 0.501 4.831 4.340 -0.017 0.000 0.310 267 R C -0.588 175.745 176.300 0.055 0.000 0.968 267 R CA -0.843 55.276 56.100 0.030 0.000 0.867 267 R CB 1.717 32.022 30.300 0.009 0.000 1.124 267 R HN -0.166 nan 8.270 nan 0.000 0.450 268 L N 3.575 124.826 121.223 0.047 0.000 2.283 268 L HA 0.290 4.620 4.340 -0.017 0.000 0.287 268 L C -0.519 176.390 176.870 0.066 0.000 1.073 268 L CA -0.129 54.750 54.840 0.064 0.000 0.822 268 L CB 0.398 42.487 42.059 0.050 0.000 1.186 268 L HN 0.591 nan 8.230 nan 0.000 0.436 269 R N 7.075 127.645 120.500 0.118 0.000 2.255 269 R HA 0.466 4.796 4.340 -0.017 0.000 0.326 269 R C -2.359 174.029 176.300 0.146 0.000 0.986 269 R CA -1.794 54.378 56.100 0.120 0.000 0.847 269 R CB 0.782 31.170 30.300 0.146 0.000 1.111 269 R HN 0.495 nan 8.270 nan 0.000 0.452 270 P HA 0.104 nan 4.420 nan 0.000 0.275 270 P C -0.127 177.162 177.300 -0.019 0.000 1.228 270 P CA 0.016 63.104 63.100 -0.020 0.000 0.786 270 P CB 1.273 32.883 31.700 -0.151 0.000 0.927 271 I N 1.019 121.528 120.570 -0.102 0.000 3.650 271 I HA 0.241 4.401 4.170 -0.017 0.000 0.261 271 I C 0.741 176.721 176.117 -0.228 0.000 1.154 271 I CA 0.235 61.379 61.300 -0.260 0.000 1.418 271 I CB 0.362 38.106 38.000 -0.425 0.000 1.539 271 I HN 0.137 nan 8.210 nan 0.000 0.449 272 I N 1.532 122.004 120.570 -0.163 0.000 2.447 272 I HA 0.163 4.323 4.170 -0.017 0.000 0.287 272 I C 0.678 176.712 176.117 -0.138 0.000 1.023 272 I CA -0.234 60.979 61.300 -0.144 0.000 1.083 272 I CB 2.018 39.939 38.000 -0.133 0.000 1.245 272 I HN 0.134 nan 8.210 nan 0.000 0.434 273 N N 5.584 124.216 118.700 -0.112 0.000 2.171 273 N HA -0.006 4.724 4.740 -0.017 0.000 0.184 273 N C 0.569 176.018 175.510 -0.101 0.000 1.021 273 N CA 1.075 54.078 53.050 -0.078 0.000 0.854 273 N CB 0.522 39.062 38.487 0.087 0.000 0.994 273 N HN 0.548 nan 8.380 nan 0.000 0.426 274 R N -0.146 120.277 120.500 -0.130 0.000 2.548 274 R HA 0.507 4.837 4.340 -0.017 0.000 0.280 274 R C -2.066 174.071 176.300 -0.271 0.000 1.061 274 R CA -0.518 55.454 56.100 -0.213 0.000 0.915 274 R CB 1.913 32.141 30.300 -0.120 0.000 1.210 274 R HN 0.081 nan 8.270 nan 0.000 0.442 275 A N 2.226 124.804 122.820 -0.403 0.000 2.374 275 A HA 0.746 5.055 4.320 -0.017 0.000 0.305 275 A C -1.147 176.154 177.584 -0.471 0.000 1.053 275 A CA -0.470 51.325 52.037 -0.403 0.000 0.726 275 A CB 1.676 20.361 19.000 -0.526 0.000 1.229 275 A HN 0.819 nan 8.150 nan 0.000 0.431 276 S N 1.155 116.755 115.700 -0.166 0.000 2.587 276 S HA 0.658 5.118 4.470 -0.017 0.000 0.269 276 S C -1.192 173.499 174.600 0.151 0.000 1.154 276 S CA -0.731 57.458 58.200 -0.018 0.000 0.824 276 S CB 0.833 63.963 63.200 -0.116 0.000 1.118 276 S HN 0.579 nan 8.310 nan 0.000 0.462 277 I N 2.210 122.889 120.570 0.181 0.000 2.291 277 I HA 0.414 4.574 4.170 -0.017 0.000 0.292 277 I C 1.362 177.549 176.117 0.116 0.000 1.064 277 I CA -0.529 60.868 61.300 0.163 0.000 1.269 277 I CB 0.396 38.557 38.000 0.269 0.000 1.418 277 I HN 1.008 nan 8.210 nan 0.000 0.485 278 A N 5.248 128.127 122.820 0.098 0.000 2.119 278 A HA 0.079 4.388 4.320 -0.017 0.000 0.216 278 A C 0.759 178.396 177.584 0.089 0.000 1.152 278 A CA 0.940 53.064 52.037 0.146 0.000 0.708 278 A CB 0.104 19.218 19.000 0.190 0.000 0.805 278 A HN 0.653 nan 8.150 nan 0.000 0.460 279 E N -1.563 118.622 120.200 -0.025 0.000 2.388 279 E HA 0.573 4.912 4.350 -0.017 0.000 0.280 279 E C -1.117 175.461 176.600 -0.038 0.000 1.019 279 E CA -0.383 55.962 56.400 -0.091 0.000 0.806 279 E CB 1.100 30.551 29.700 -0.415 0.000 1.246 279 E HN 0.431 nan 8.360 nan 0.000 0.443 280 M N 2.128 121.729 119.600 0.001 0.000 2.234 280 M HA 0.586 5.056 4.480 -0.017 0.000 0.267 280 M C -1.802 174.377 176.300 -0.202 0.000 1.022 280 M CA -0.959 54.213 55.300 -0.212 0.000 0.993 280 M CB 1.713 34.044 32.600 -0.449 0.000 1.836 280 M HN 0.225 nan 8.290 nan 0.000 0.479 281 V N 4.054 123.807 119.914 -0.269 0.000 2.547 281 V HA 0.800 4.909 4.120 -0.017 0.000 0.299 281 V C -1.034 174.781 176.094 -0.465 0.000 1.040 281 V CA -0.427 61.595 62.300 -0.463 0.000 0.913 281 V CB 2.127 33.553 31.823 -0.662 0.000 0.992 281 V HN 0.791 nan 8.190 nan 0.000 0.449 282 V N 8.782 128.469 119.914 -0.379 0.000 2.276 282 V HA 0.394 4.504 4.120 -0.017 0.000 0.268 282 V C -2.394 173.568 176.094 -0.219 0.000 1.032 282 V CA -1.312 60.753 62.300 -0.391 0.000 0.810 282 V CB 1.254 32.839 31.823 -0.396 0.000 1.060 282 V HN 0.819 nan 8.190 nan 0.000 0.446 283 P HA 0.333 nan 4.420 nan 0.000 0.284 283 P C -1.272 175.897 177.300 -0.217 0.000 1.253 283 P CA -0.282 62.731 63.100 -0.145 0.000 0.800 283 P CB 1.148 32.742 31.700 -0.176 0.000 0.961 284 Y N 0.409 120.670 120.300 -0.066 0.000 2.387 284 Y HA 0.488 5.028 4.550 -0.017 0.000 0.330 284 Y C 1.717 177.607 175.900 -0.016 0.000 1.133 284 Y CA 0.267 58.347 58.100 -0.034 0.000 1.152 284 Y CB 1.445 39.841 38.460 -0.106 0.000 1.215 284 Y HN 0.485 nan 8.280 nan 0.000 0.466 285 G N 0.925 109.786 108.800 0.101 0.000 3.690 285 G HA2 0.019 3.969 3.960 -0.017 0.000 0.283 285 G HA3 0.019 3.969 3.960 -0.017 0.000 0.283 285 G C -0.773 174.176 174.900 0.082 0.000 1.057 285 G CA -0.167 44.989 45.100 0.093 0.000 0.821 285 G HN 0.505 nan 8.290 nan 0.000 0.526 286 D N 1.196 121.634 120.400 0.064 0.000 2.274 286 D HA 0.273 4.903 4.640 -0.017 0.000 0.239 286 D C -1.312 174.979 176.300 -0.014 0.000 1.104 286 D CA -2.377 51.622 54.000 -0.001 0.000 0.840 286 D CB 2.353 43.153 40.800 0.000 0.000 1.100 286 D HN 0.034 nan 8.370 nan 0.000 0.477 287 P HA 0.008 nan 4.420 nan 0.000 0.249 287 P C 0.213 177.510 177.300 -0.004 0.000 1.241 287 P CA -0.144 62.954 63.100 -0.002 0.000 0.781 287 P CB 0.115 31.823 31.700 0.014 0.000 1.088 288 S N 1.665 117.353 115.700 -0.020 0.000 2.533 288 S HA 0.151 4.611 4.470 -0.017 0.000 0.282 288 S C -1.331 173.278 174.600 0.015 0.000 1.304 288 S CA -1.070 57.128 58.200 -0.003 0.000 1.063 288 S CB 0.409 63.587 63.200 -0.036 0.000 0.881 288 S HN -0.080 nan 8.310 nan 0.000 0.493 289 P HA -0.113 nan 4.420 nan 0.000 0.218 289 P C 1.203 178.654 177.300 0.251 0.000 1.146 289 P CA 0.758 63.948 63.100 0.150 0.000 0.813 289 P CB 0.037 31.828 31.700 0.151 0.000 0.778 290 I N -1.103 119.572 120.570 0.175 0.000 2.394 290 I HA -0.133 4.027 4.170 -0.017 0.000 0.251 290 I C 1.825 178.076 176.117 0.224 0.000 1.136 290 I CA 1.630 63.078 61.300 0.247 0.000 1.425 290 I CB -0.957 37.092 38.000 0.081 0.000 1.079 290 I HN 0.036 nan 8.210 nan 0.000 0.425 291 R N -0.479 119.938 120.500 -0.138 0.000 2.531 291 R HA 0.104 4.433 4.340 -0.017 0.000 0.316 291 R C 1.847 177.691 176.300 -0.761 0.000 0.955 291 R CA 0.436 56.166 56.100 -0.616 0.000 1.120 291 R CB 0.298 30.398 30.300 -0.333 0.000 1.361 291 R HN 0.278 nan 8.270 nan 0.000 0.534 292 S N 0.649 116.098 115.700 -0.418 0.000 2.584 292 S HA -0.097 4.363 4.470 -0.017 0.000 0.240 292 S C 1.211 175.608 174.600 -0.339 0.000 0.975 292 S CA 0.298 58.336 58.200 -0.271 0.000 0.949 292 S CB -0.378 62.760 63.200 -0.103 0.000 0.761 292 S HN 0.602 nan 8.310 nan 0.000 0.536 293 W N 0.013 121.149 121.300 -0.273 0.000 3.103 293 W HA 0.408 5.058 4.660 -0.017 0.000 0.325 293 W C 0.379 176.903 176.519 0.009 0.000 1.170 293 W CA -0.704 56.381 57.345 -0.433 0.000 1.712 293 W CB -0.526 28.560 29.460 -0.623 0.000 1.068 293 W HN 0.248 nan 8.180 nan 0.000 0.592 294 Q N 2.988 122.359 119.800 -0.716 0.000 2.263 294 Q HA 0.087 4.417 4.340 -0.017 0.000 0.270 294 Q C -0.768 175.239 176.000 0.012 0.000 1.104 294 Q CA 0.787 56.257 55.803 -0.555 0.000 0.909 294 Q CB 0.125 28.243 28.738 -1.034 0.000 1.214 294 Q HN 0.024 nan 8.270 nan 0.000 0.400 295 N N 4.624 123.418 118.700 0.157 0.000 2.599 295 N HA 0.108 4.838 4.740 -0.017 0.000 0.283 295 N C -1.894 173.763 175.510 0.244 0.000 1.160 295 N CA -0.414 52.760 53.050 0.208 0.000 0.869 295 N CB 0.960 39.558 38.487 0.185 0.000 1.448 295 N HN 0.410 nan 8.380 nan 0.000 0.535 296 Y N 1.127 121.456 120.300 0.047 0.000 2.383 296 Y HA 0.347 4.887 4.550 -0.017 0.000 0.344 296 Y C 0.214 176.128 175.900 0.023 0.000 0.986 296 Y CA -0.441 57.731 58.100 0.119 0.000 1.175 296 Y CB 0.291 38.706 38.460 -0.075 0.000 1.152 296 Y HN 0.353 nan 8.280 nan 0.000 0.511 297 F N 3.195 123.365 119.950 0.366 0.000 2.425 297 F HA 0.208 4.725 4.527 -0.017 0.000 0.354 297 F C 0.801 176.787 175.800 0.311 0.000 1.162 297 F CA -0.765 57.384 58.000 0.249 0.000 1.250 297 F CB 0.161 39.284 39.000 0.206 0.000 1.579 297 F HN 0.528 nan 8.300 nan 0.000 0.589 298 D N -0.095 120.477 120.400 0.288 0.000 2.158 298 D HA -0.179 4.450 4.640 -0.017 0.000 0.197 298 D C 2.016 178.510 176.300 0.323 0.000 0.995 298 D CA 1.784 55.932 54.000 0.248 0.000 0.846 298 D CB 0.009 40.868 40.800 0.097 0.000 0.941 298 D HN 0.375 nan 8.370 nan 0.000 0.456 299 T N -0.928 113.765 114.554 0.232 0.000 2.814 299 T HA 0.038 4.378 4.350 -0.017 0.000 0.254 299 T C 2.060 176.823 174.700 0.105 0.000 1.037 299 T CA 1.112 63.302 62.100 0.150 0.000 1.143 299 T CB -0.594 68.319 68.868 0.075 0.000 0.866 299 T HN 0.269 nan 8.240 nan 0.000 0.431 300 G N 1.174 110.047 108.800 0.122 0.000 2.404 300 G HA2 -0.126 3.823 3.960 -0.017 0.000 0.215 300 G HA3 -0.126 3.823 3.960 -0.017 0.000 0.215 300 G C 1.444 176.385 174.900 0.068 0.000 1.174 300 G CA 0.573 45.673 45.100 0.000 0.000 0.780 300 G HN 0.491 nan 8.290 nan 0.000 0.537 301 E N -1.066 119.281 120.200 0.245 0.000 2.166 301 E HA 0.096 4.435 4.350 -0.017 0.000 0.192 301 E C 1.930 178.649 176.600 0.199 0.000 0.967 301 E CA 0.349 56.864 56.400 0.193 0.000 0.840 301 E CB 0.040 29.874 29.700 0.223 0.000 0.795 301 E HN 0.628 nan 8.360 nan 0.000 0.470 302 Y N 0.103 120.587 120.300 0.307 0.000 2.503 302 Y HA 0.251 4.791 4.550 -0.017 0.000 0.277 302 Y C 0.067 176.218 175.900 0.419 0.000 1.102 302 Y CA -0.186 58.182 58.100 0.448 0.000 1.261 302 Y CB 0.612 39.365 38.460 0.489 0.000 1.096 302 Y HN -0.178 nan 8.280 nan 0.000 0.546 303 L N 0.904 122.375 121.223 0.414 0.000 2.706 303 L HA -0.199 4.131 4.340 -0.017 0.000 0.666 303 L C 1.020 178.065 176.870 0.291 0.000 1.021 303 L CA -0.099 54.881 54.840 0.235 0.000 1.360 303 L CB -1.393 40.751 42.059 0.140 0.000 1.957 303 L HN 0.184 nan 8.230 nan 0.000 0.920 304 V N -0.121 119.949 119.914 0.261 0.000 2.490 304 V HA -0.100 4.010 4.120 -0.017 0.000 0.250 304 V C 2.179 178.450 176.094 0.295 0.000 1.061 304 V CA 2.151 64.656 62.300 0.342 0.000 1.064 304 V CB -0.525 31.473 31.823 0.292 0.000 0.670 304 V HN 0.874 nan 8.190 nan 0.000 0.461 305 G N 1.249 110.071 108.800 0.037 0.000 2.422 305 G HA2 -0.298 3.651 3.960 -0.017 0.000 0.218 305 G HA3 -0.298 3.651 3.960 -0.017 0.000 0.218 305 G C 1.560 176.567 174.900 0.178 0.000 1.146 305 G CA 1.027 46.094 45.100 -0.056 0.000 0.769 305 G HN 0.818 nan 8.290 nan 0.000 0.547 306 Q N -1.019 118.787 119.800 0.009 0.000 2.291 306 Q HA -0.038 4.291 4.340 -0.017 0.000 0.205 306 Q C 1.165 177.069 176.000 -0.159 0.000 0.970 306 Q CA 0.970 56.690 55.803 -0.140 0.000 0.876 306 Q CB -0.323 28.201 28.738 -0.358 0.000 0.935 306 Q HN 0.513 nan 8.270 nan 0.000 0.455 307 Y N 0.960 121.430 120.300 0.284 0.000 2.583 307 Y HA 0.489 5.029 4.550 -0.017 0.000 0.294 307 Y C 0.450 176.547 175.900 0.329 0.000 1.170 307 Y CA -0.849 57.422 58.100 0.286 0.000 1.265 307 Y CB -0.139 38.495 38.460 0.291 0.000 1.119 307 Y HN 0.164 nan 8.280 nan 0.000 0.522 308 A N 0.826 123.921 122.820 0.458 0.000 2.488 308 A HA 0.164 4.474 4.320 -0.017 0.000 0.249 308 A C 0.287 178.089 177.584 0.363 0.000 1.083 308 A CA -0.383 51.961 52.037 0.512 0.000 0.768 308 A CB -0.192 19.116 19.000 0.513 0.000 1.017 308 A HN 0.600 nan 8.150 nan 0.000 0.496 309 N N 0.787 119.708 118.700 0.369 0.000 2.467 309 N HA 0.311 5.040 4.740 -0.017 0.000 0.262 309 N C -0.457 175.160 175.510 0.178 0.000 1.234 309 N CA -0.313 52.886 53.050 0.249 0.000 0.952 309 N CB 0.648 39.271 38.487 0.228 0.000 1.158 309 N HN 0.514 nan 8.380 nan 0.000 0.463 310 S N 1.304 117.064 115.700 0.100 0.000 2.404 310 S HA 0.231 4.691 4.470 -0.017 0.000 0.309 310 S C 0.047 174.658 174.600 0.017 0.000 1.076 310 S CA -0.647 57.568 58.200 0.025 0.000 1.095 310 S CB -0.089 63.105 63.200 -0.011 0.000 0.972 310 S HN 0.274 nan 8.310 nan 0.000 0.484 311 L N 3.591 124.832 121.223 0.030 0.000 2.410 311 L HA 0.245 4.574 4.340 -0.017 0.000 0.273 311 L C 0.713 177.587 176.870 0.007 0.000 1.152 311 L CA -0.238 54.646 54.840 0.073 0.000 0.855 311 L CB 0.291 42.493 42.059 0.239 0.000 1.129 311 L HN 0.421 nan 8.230 nan 0.000 0.463 312 E N 2.764 122.986 120.200 0.037 0.000 2.266 312 E HA 0.268 4.608 4.350 -0.017 0.000 0.277 312 E C -0.558 176.108 176.600 0.111 0.000 1.018 312 E CA -0.963 55.457 56.400 0.034 0.000 0.840 312 E CB 2.126 31.834 29.700 0.013 0.000 1.082 312 E HN 0.266 nan 8.360 nan 0.000 0.395 313 L N 1.845 123.148 121.223 0.133 0.000 2.410 313 L HA 0.273 4.603 4.340 -0.017 0.000 0.273 313 L C 1.220 178.137 176.870 0.078 0.000 1.152 313 L CA 1.730 56.668 54.840 0.163 0.000 0.855 313 L CB 0.279 42.444 42.059 0.176 0.000 1.129 313 L HN 0.808 nan 8.230 nan 0.000 0.463 314 G N 2.313 111.145 108.800 0.053 0.000 3.922 314 G HA2 -0.377 3.573 3.960 -0.017 0.000 0.208 314 G HA3 -0.377 3.573 3.960 -0.017 0.000 0.208 314 G C 1.141 176.050 174.900 0.015 0.000 1.491 314 G CA 0.578 45.693 45.100 0.025 0.000 1.017 314 G HN 1.142 nan 8.290 nan 0.000 0.603 315 C N -0.437 118.872 119.300 0.015 0.000 2.475 315 C HA 0.367 4.816 4.460 -0.017 0.000 0.279 315 C C 2.054 177.040 174.990 -0.005 0.000 1.322 315 C CA 1.864 60.881 59.018 -0.001 0.000 1.734 315 C CB -0.673 27.060 27.740 -0.011 0.000 2.005 315 C HN 0.471 nan 8.230 nan 0.000 0.495 316 D N 0.051 120.460 120.400 0.015 0.000 2.201 316 D HA 0.109 4.738 4.640 -0.017 0.000 0.209 316 D C 0.152 176.494 176.300 0.071 0.000 0.961 316 D CA 1.059 55.075 54.000 0.027 0.000 0.861 316 D CB 0.240 41.070 40.800 0.051 0.000 0.997 316 D HN 0.503 nan 8.370 nan 0.000 0.486 317 C N 1.999 121.332 119.300 0.054 0.000 2.383 317 C HA 0.465 4.915 4.460 -0.017 0.000 0.330 317 C C 0.014 174.948 174.990 -0.092 0.000 1.168 317 C CA -1.031 57.964 59.018 -0.038 0.000 1.374 317 C CB 0.907 28.620 27.740 -0.045 0.000 2.014 317 C HN 0.211 nan 8.230 nan 0.000 0.439 318 L N 3.892 125.041 121.223 -0.124 0.000 2.312 318 L HA 0.771 5.100 4.340 -0.017 0.000 0.281 318 L C 0.813 177.603 176.870 -0.134 0.000 1.070 318 L CA 1.196 55.985 54.840 -0.085 0.000 0.805 318 L CB 1.396 43.435 42.059 -0.033 0.000 1.174 318 L HN 1.052 nan 8.230 nan 0.000 0.434 319 G N 3.450 112.210 108.800 -0.067 0.000 2.337 319 G HA2 -0.179 3.771 3.960 -0.017 0.000 0.197 319 G HA3 -0.179 3.771 3.960 -0.017 0.000 0.197 319 G C -1.162 173.726 174.900 -0.020 0.000 1.238 319 G CA -0.599 44.482 45.100 -0.031 0.000 1.119 319 G HN 0.569 nan 8.290 nan 0.000 0.514 320 D N 1.453 121.868 120.400 0.025 0.000 2.456 320 D HA 0.453 5.083 4.640 -0.017 0.000 0.219 320 D C 0.266 176.598 176.300 0.053 0.000 1.126 320 D CA -0.276 53.744 54.000 0.034 0.000 0.890 320 D CB 0.136 40.964 40.800 0.047 0.000 1.025 320 D HN 0.383 nan 8.370 nan 0.000 0.511 321 I N 2.160 122.704 120.570 -0.042 0.000 2.428 321 I HA 0.253 4.413 4.170 -0.017 0.000 0.296 321 I C 0.694 176.729 176.117 -0.137 0.000 0.985 321 I CA -0.477 60.737 61.300 -0.144 0.000 1.260 321 I CB 1.547 39.274 38.000 -0.455 0.000 1.389 321 I HN 0.111 nan 8.210 nan 0.000 0.484 322 T N 5.885 120.406 114.554 -0.055 0.000 2.786 322 T HA 0.509 4.849 4.350 -0.017 0.000 0.283 322 T C -0.663 174.004 174.700 -0.055 0.000 0.992 322 T CA -0.296 61.831 62.100 0.045 0.000 0.954 322 T CB 0.546 69.592 68.868 0.296 0.000 0.934 322 T HN 0.166 nan 8.240 nan 0.000 0.440 323 Y N 2.107 122.466 120.300 0.099 0.000 2.387 323 Y HA 0.618 5.158 4.550 -0.017 0.000 0.330 323 Y C 0.231 176.156 175.900 0.042 0.000 1.133 323 Y CA -1.241 56.898 58.100 0.064 0.000 1.152 323 Y CB 1.026 39.514 38.460 0.047 0.000 1.215 323 Y HN 0.370 nan 8.280 nan 0.000 0.466 324 L N 1.771 123.117 121.223 0.204 0.000 2.329 324 L HA 0.492 4.822 4.340 -0.017 0.000 0.279 324 L C -0.446 176.435 176.870 0.018 0.000 1.014 324 L CA -0.606 54.285 54.840 0.084 0.000 0.814 324 L CB 1.789 43.871 42.059 0.039 0.000 1.257 324 L HN 0.558 nan 8.230 nan 0.000 0.424 325 S N 3.558 119.243 115.700 -0.025 0.000 2.328 325 S HA 0.299 4.758 4.470 -0.017 0.000 0.204 325 S C -2.301 172.221 174.600 -0.130 0.000 1.475 325 S CA -1.078 57.070 58.200 -0.087 0.000 1.148 325 S CB 0.533 63.701 63.200 -0.054 0.000 1.077 325 S HN 0.401 nan 8.310 nan 0.000 0.479 326 P HA 0.143 nan 4.420 nan 0.000 0.269 326 P C -0.680 176.517 177.300 -0.171 0.000 1.215 326 P CA -0.213 62.729 63.100 -0.264 0.000 0.780 326 P CB 0.686 31.997 31.700 -0.648 0.000 0.898 327 V N 4.012 123.893 119.914 -0.055 0.000 2.435 327 V HA 0.445 4.554 4.120 -0.017 0.000 0.290 327 V C 0.748 176.865 176.094 0.038 0.000 1.030 327 V CA -0.577 61.716 62.300 -0.011 0.000 0.881 327 V CB 0.989 32.818 31.823 0.009 0.000 0.983 327 V HN 0.498 nan 8.190 nan 0.000 0.445 328 I N 0.918 121.507 120.570 0.031 0.000 3.264 328 I HA 0.823 4.983 4.170 -0.017 0.000 0.309 328 I C -0.064 176.056 176.117 0.004 0.000 1.099 328 I CA -0.658 60.666 61.300 0.041 0.000 0.989 328 I CB 2.252 40.288 38.000 0.060 0.000 1.250 328 I HN 0.504 nan 8.210 nan 0.000 0.478 329 S N 0.819 116.503 115.700 -0.026 0.000 2.578 329 S HA 0.390 4.849 4.470 -0.017 0.000 0.283 329 S C -0.642 173.934 174.600 -0.040 0.000 1.195 329 S CA -0.588 57.589 58.200 -0.038 0.000 1.050 329 S CB 0.766 63.925 63.200 -0.069 0.000 1.012 329 S HN 0.812 nan 8.310 nan 0.000 0.511 330 D N 2.501 122.887 120.400 -0.023 0.000 2.478 330 D HA 0.439 5.068 4.640 -0.017 0.000 0.274 330 D C 1.214 177.441 176.300 -0.123 0.000 1.234 330 D CA -0.159 53.817 54.000 -0.040 0.000 1.069 330 D CB 0.040 40.854 40.800 0.023 0.000 1.113 330 D HN 0.459 nan 8.370 nan 0.000 0.571 331 A N -1.088 121.570 122.820 -0.269 0.000 2.125 331 A HA -0.036 4.273 4.320 -0.017 0.000 0.219 331 A C 1.471 178.705 177.584 -0.583 0.000 1.156 331 A CA 0.794 52.550 52.037 -0.469 0.000 0.671 331 A CB -0.908 17.709 19.000 -0.639 0.000 0.794 331 A HN 0.458 nan 8.150 nan 0.000 0.459 332 F N -1.276 118.683 119.950 0.014 0.000 2.664 332 F HA 0.402 4.919 4.527 -0.017 0.000 0.303 332 F C 1.751 177.546 175.800 -0.008 0.000 1.092 332 F CA 0.100 58.104 58.000 0.006 0.000 1.305 332 F CB -0.006 38.998 39.000 0.006 0.000 1.054 332 F HN 0.299 nan 8.300 nan 0.000 0.565 333 G N 0.577 109.417 108.800 0.066 0.000 2.157 333 G HA2 -0.300 3.649 3.960 -0.017 0.000 0.248 333 G HA3 -0.300 3.649 3.960 -0.017 0.000 0.248 333 G C -0.074 174.840 174.900 0.024 0.000 0.979 333 G CA -0.242 44.872 45.100 0.024 0.000 0.650 333 G HN 0.435 nan 8.290 nan 0.000 0.529 334 N N 2.352 121.092 118.700 0.067 0.000 2.499 334 N HA 0.523 5.253 4.740 -0.017 0.000 0.281 334 N C -2.241 173.282 175.510 0.022 0.000 1.098 334 N CA -1.229 51.850 53.050 0.047 0.000 0.979 334 N CB 1.561 40.098 38.487 0.083 0.000 1.121 334 N HN 0.139 nan 8.380 nan 0.000 0.466 335 P HA 0.045 nan 4.420 nan 0.000 0.271 335 P C -0.891 176.415 177.300 0.010 0.000 1.216 335 P CA 0.017 63.116 63.100 -0.001 0.000 0.776 335 P CB 0.879 32.574 31.700 -0.009 0.000 0.881 336 R N 2.337 122.842 120.500 0.009 0.000 2.514 336 R HA 0.245 4.574 4.340 -0.017 0.000 0.296 336 R C -0.652 175.648 176.300 -0.001 0.000 1.012 336 R CA -0.565 55.542 56.100 0.012 0.000 0.897 336 R CB 1.576 31.888 30.300 0.019 0.000 1.184 336 R HN 0.571 nan 8.270 nan 0.000 0.440 337 E N 4.475 124.670 120.200 -0.007 0.000 2.283 337 E HA 0.234 4.574 4.350 -0.017 0.000 0.278 337 E C -0.449 176.129 176.600 -0.037 0.000 1.027 337 E CA -0.440 55.943 56.400 -0.029 0.000 0.843 337 E CB 0.913 30.598 29.700 -0.025 0.000 1.062 337 E HN 0.497 nan 8.360 nan 0.000 0.401 338 I N 4.943 125.465 120.570 -0.079 0.000 2.313 338 I HA 0.208 4.368 4.170 -0.017 0.000 0.286 338 I C 0.067 176.127 176.117 -0.096 0.000 1.091 338 I CA -0.641 60.611 61.300 -0.079 0.000 1.216 338 I CB 0.550 38.471 38.000 -0.132 0.000 1.434 338 I HN 0.346 nan 8.210 nan 0.000 0.487 339 R N 5.994 126.454 120.500 -0.067 0.000 2.502 339 R HA 0.024 4.354 4.340 -0.017 0.000 0.292 339 R C 0.465 176.685 176.300 -0.135 0.000 0.998 339 R CA 0.524 56.570 56.100 -0.089 0.000 1.056 339 R CB -0.095 30.160 30.300 -0.075 0.000 0.939 339 R HN 0.563 nan 8.270 nan 0.000 0.411 340 N N 2.281 120.876 118.700 -0.175 0.000 2.740 340 N HA -0.174 4.556 4.740 -0.017 0.000 0.248 340 N C 0.507 175.969 175.510 -0.079 0.000 1.062 340 N CA 1.272 54.139 53.050 -0.305 0.000 0.704 340 N CB -1.320 36.685 38.487 -0.804 0.000 0.968 340 N HN 0.848 nan 8.380 nan 0.000 0.547 341 G N -1.007 107.774 108.800 -0.033 0.000 2.712 341 G HA2 0.249 4.198 3.960 -0.017 0.000 0.212 341 G HA3 0.249 4.198 3.960 -0.017 0.000 0.212 341 G C 0.512 175.492 174.900 0.133 0.000 1.142 341 G CA 0.248 45.361 45.100 0.021 0.000 0.789 341 G HN 0.446 nan 8.290 nan 0.000 0.535 342 I N 0.721 121.381 120.570 0.151 0.000 2.499 342 I HA 0.297 4.457 4.170 -0.017 0.000 0.288 342 I C -0.382 175.896 176.117 0.268 0.000 1.048 342 I CA -1.116 60.305 61.300 0.202 0.000 1.062 342 I CB 2.260 40.314 38.000 0.090 0.000 1.238 342 I HN 0.071 nan 8.210 nan 0.000 0.426 343 C N 5.125 124.558 119.300 0.222 0.000 2.411 343 C HA 0.871 5.321 4.460 -0.017 0.000 0.330 343 C C -0.409 174.599 174.990 0.031 0.000 1.224 343 C CA -0.816 58.246 59.018 0.074 0.000 1.770 343 C CB 0.903 28.679 27.740 0.059 0.000 2.297 343 C HN 0.806 nan 8.230 nan 0.000 0.507 344 M N 5.667 125.238 119.600 -0.048 0.000 2.327 344 M HA 0.586 5.056 4.480 -0.017 0.000 0.298 344 M C -0.623 175.648 176.300 -0.049 0.000 1.065 344 M CA -0.100 55.109 55.300 -0.152 0.000 0.916 344 M CB 2.051 34.472 32.600 -0.299 0.000 1.630 344 M HN 1.060 nan 8.290 nan 0.000 0.442 345 H N 0.794 119.674 119.070 -0.315 0.000 2.967 345 H HA 0.517 5.063 4.556 -0.017 0.000 0.318 345 H C -2.057 173.149 175.328 -0.203 0.000 1.375 345 H CA -1.094 54.906 56.048 -0.080 0.000 1.132 345 H CB 1.064 30.829 29.762 0.005 0.000 1.848 345 H HN 0.734 nan 8.280 nan 0.000 0.524 346 E N 0.972 121.166 120.200 -0.010 0.000 2.195 346 E HA 0.501 4.841 4.350 -0.017 0.000 0.271 346 E C -0.892 175.730 176.600 0.037 0.000 0.923 346 E CA -0.984 55.314 56.400 -0.170 0.000 0.790 346 E CB 2.647 32.388 29.700 0.069 0.000 1.155 346 E HN 0.703 nan 8.360 nan 0.000 0.402 347 E N 1.935 122.130 120.200 -0.007 0.000 2.317 347 E HA 0.263 4.603 4.350 -0.017 0.000 0.270 347 E C -1.289 175.438 176.600 0.212 0.000 0.885 347 E CA -1.066 55.420 56.400 0.143 0.000 0.760 347 E CB 1.598 31.398 29.700 0.166 0.000 1.227 347 E HN 0.542 nan 8.360 nan 0.000 0.434 348 D N 1.634 122.168 120.400 0.223 0.000 2.488 348 D HA -0.105 4.525 4.640 -0.017 0.000 0.238 348 D C -0.902 175.609 176.300 0.351 0.000 1.138 348 D CA 0.267 54.408 54.000 0.235 0.000 0.873 348 D CB 0.502 41.389 40.800 0.144 0.000 1.183 348 D HN 0.517 nan 8.370 nan 0.000 0.458 349 W N 5.957 127.306 121.300 0.081 0.000 1.513 349 W HA 0.363 5.013 4.660 -0.018 0.000 0.311 349 W C 0.396 176.947 176.519 0.055 0.000 0.821 349 W CA 0.096 57.487 57.345 0.077 0.000 2.622 349 W CB 0.017 29.574 29.460 0.163 0.000 1.907 349 W HN 0.843 nan 8.180 nan 0.000 0.562 350 G N 1.981 110.716 108.800 -0.107 0.000 2.550 350 G HA2 -0.328 3.622 3.960 -0.017 0.000 0.277 350 G HA3 -0.328 3.622 3.960 -0.017 0.000 0.277 350 G C -0.496 174.375 174.900 -0.049 0.000 1.190 350 G CA 0.152 45.160 45.100 -0.153 0.000 0.971 350 G HN 0.056 nan 8.290 nan 0.000 0.559 351 I N 1.628 122.158 120.570 -0.066 0.000 2.353 351 I HA 0.360 4.519 4.170 -0.017 0.000 0.293 351 I C 1.391 177.523 176.117 0.025 0.000 0.992 351 I CA -0.287 61.002 61.300 -0.018 0.000 1.268 351 I CB 0.938 38.919 38.000 -0.032 0.000 1.387 351 I HN 0.631 nan 8.210 nan 0.000 0.478 352 L N 6.627 127.883 121.223 0.055 0.000 2.185 352 L HA 0.488 4.818 4.340 -0.017 0.000 0.198 352 L C 0.643 177.560 176.870 0.079 0.000 1.079 352 L CA 1.097 55.989 54.840 0.087 0.000 0.780 352 L CB 0.083 42.206 42.059 0.106 0.000 0.955 352 L HN 0.665 nan 8.230 nan 0.000 0.462 353 A N -0.400 122.473 122.820 0.089 0.000 2.520 353 A HA 0.683 4.993 4.320 -0.017 0.000 0.298 353 A C -1.051 176.635 177.584 0.170 0.000 1.051 353 A CA -0.574 51.553 52.037 0.151 0.000 0.690 353 A CB 1.223 20.379 19.000 0.260 0.000 1.281 353 A HN 0.102 nan 8.150 nan 0.000 0.402 354 K N 1.028 121.546 120.400 0.196 0.000 2.561 354 K HA 0.540 4.849 4.320 -0.017 0.000 0.254 354 K C -2.218 174.533 176.600 0.251 0.000 0.942 354 K CA -0.475 55.931 56.287 0.199 0.000 0.818 354 K CB 1.605 34.155 32.500 0.084 0.000 1.306 354 K HN 1.011 nan 8.250 nan 0.000 0.435 355 H N 0.449 119.605 119.070 0.144 0.000 3.099 355 H HA 0.382 4.927 4.556 -0.018 0.000 0.342 355 H C -1.817 173.541 175.328 0.049 0.000 1.054 355 H CA -0.340 55.742 56.048 0.057 0.000 1.328 355 H CB 1.919 31.685 29.762 0.006 0.000 1.876 355 H HN 0.403 nan 8.280 nan 0.000 0.495 356 S N 4.103 119.480 115.700 -0.538 0.000 2.532 356 S HA 0.150 4.609 4.470 -0.017 0.000 0.318 356 S C -0.752 173.412 174.600 -0.725 0.000 1.083 356 S CA -0.637 57.307 58.200 -0.426 0.000 1.131 356 S CB 0.270 63.330 63.200 -0.232 0.000 0.973 356 S HN 0.652 nan 8.310 nan 0.000 0.468 357 D N 2.144 122.208 120.400 -0.560 0.000 2.249 357 D HA 0.288 4.918 4.640 -0.017 0.000 0.246 357 D C 0.975 177.167 176.300 -0.181 0.000 1.114 357 D CA -0.569 53.217 54.000 -0.356 0.000 0.854 357 D CB 0.881 41.663 40.800 -0.029 0.000 1.132 357 D HN 0.260 nan 8.370 nan 0.000 0.461 358 L N 5.473 126.556 121.223 -0.234 0.000 2.005 358 L HA -0.020 4.310 4.340 -0.017 0.000 0.207 358 L C 1.465 178.354 176.870 0.033 0.000 1.072 358 L CA 1.534 56.286 54.840 -0.147 0.000 0.744 358 L CB -0.470 41.438 42.059 -0.252 0.000 0.895 358 L HN 0.600 nan 8.230 nan 0.000 0.433 359 W N 0.008 121.312 121.300 0.007 0.000 2.338 359 W HA -0.154 4.502 4.660 -0.007 0.000 0.304 359 W C 2.920 179.444 176.519 0.008 0.000 1.212 359 W CA 1.626 58.977 57.345 0.010 0.000 1.264 359 W CB -1.819 27.652 29.460 0.018 0.000 1.142 359 W HN 0.559 nan 8.180 nan 0.000 0.512 360 S N -1.453 114.380 115.700 0.222 0.000 2.503 360 S HA 0.354 4.813 4.470 -0.017 0.000 0.215 360 S C 1.732 176.380 174.600 0.080 0.000 1.003 360 S CA 0.676 58.956 58.200 0.134 0.000 0.910 360 S CB 0.094 63.364 63.200 0.117 0.000 0.790 360 S HN 0.429 nan 8.310 nan 0.000 0.514 361 G N 1.279 110.113 108.800 0.057 0.000 2.162 361 G HA2 -0.240 3.709 3.960 -0.017 0.000 0.260 361 G HA3 -0.240 3.709 3.960 -0.017 0.000 0.260 361 G C -0.012 174.897 174.900 0.015 0.000 0.976 361 G CA 0.377 45.492 45.100 0.026 0.000 0.655 361 G HN 0.602 nan 8.290 nan 0.000 0.533 362 I N 1.154 121.737 120.570 0.021 0.000 2.365 362 I HA 0.306 4.466 4.170 -0.017 0.000 0.291 362 I C -0.433 175.692 176.117 0.013 0.000 1.004 362 I CA -0.836 60.484 61.300 0.034 0.000 1.311 362 I CB 1.121 39.157 38.000 0.060 0.000 1.401 362 I HN -0.044 nan 8.210 nan 0.000 0.491 363 N N 6.323 125.042 118.700 0.032 0.000 2.417 363 N HA 0.314 5.044 4.740 -0.017 0.000 0.274 363 N C -1.367 174.217 175.510 0.122 0.000 0.987 363 N CA -0.455 52.611 53.050 0.026 0.000 0.912 363 N CB 1.910 40.392 38.487 -0.008 0.000 1.177 363 N HN 0.482 nan 8.380 nan 0.000 0.490 364 Y N 0.996 121.290 120.300 -0.010 0.000 2.391 364 Y HA 0.487 5.028 4.550 -0.014 0.000 0.341 364 Y C -1.001 174.909 175.900 0.016 0.000 0.965 364 Y CA -0.321 57.788 58.100 0.016 0.000 1.067 364 Y CB 1.608 40.094 38.460 0.043 0.000 1.199 364 Y HN 0.321 nan 8.280 nan 0.000 0.450 365 T N 6.928 121.306 114.554 -0.293 0.000 2.971 365 T HA 0.556 4.896 4.350 -0.017 0.000 0.304 365 T C -1.288 173.186 174.700 -0.377 0.000 1.038 365 T CA -0.963 61.002 62.100 -0.225 0.000 1.007 365 T CB 1.071 69.877 68.868 -0.104 0.000 1.055 365 T HN 0.413 nan 8.240 nan 0.000 0.451 366 R N 1.969 122.309 120.500 -0.267 0.000 2.628 366 R HA 0.524 4.853 4.340 -0.017 0.000 0.288 366 R C -0.437 175.829 176.300 -0.058 0.000 0.980 366 R CA -0.825 55.155 56.100 -0.199 0.000 0.891 366 R CB 2.154 32.333 30.300 -0.203 0.000 1.188 366 R HN 0.561 nan 8.270 nan 0.000 0.450 367 R N 1.282 121.768 120.500 -0.025 0.000 2.457 367 R HA 0.325 4.655 4.340 -0.017 0.000 0.284 367 R C 0.198 176.555 176.300 0.096 0.000 1.024 367 R CA -0.813 55.305 56.100 0.031 0.000 1.025 367 R CB 0.971 31.290 30.300 0.031 0.000 1.063 367 R HN 0.367 nan 8.270 nan 0.000 0.493 368 N N 1.469 120.259 118.700 0.152 0.000 2.482 368 N HA 0.330 5.059 4.740 -0.017 0.000 0.279 368 N C -0.980 174.738 175.510 0.346 0.000 1.182 368 N CA -0.525 52.685 53.050 0.267 0.000 0.969 368 N CB 1.036 39.726 38.487 0.339 0.000 1.201 368 N HN 0.578 nan 8.380 nan 0.000 0.523 369 R N -0.689 120.072 120.500 0.434 0.000 2.734 369 R HA 0.614 4.944 4.340 -0.017 0.000 0.271 369 R C -1.115 175.455 176.300 0.450 0.000 1.021 369 R CA -1.050 55.319 56.100 0.448 0.000 0.893 369 R CB 1.461 32.015 30.300 0.424 0.000 1.244 369 R HN 0.654 nan 8.270 nan 0.000 0.464 370 R N 1.087 121.650 120.500 0.106 0.000 2.725 370 R HA 0.541 4.870 4.340 -0.017 0.000 0.277 370 R C -1.288 174.528 176.300 -0.807 0.000 0.987 370 R CA -1.140 54.711 56.100 -0.415 0.000 0.901 370 R CB 1.818 31.491 30.300 -1.045 0.000 1.207 370 R HN 0.580 nan 8.270 nan 0.000 0.463 371 M N 2.628 121.427 119.600 -1.335 0.000 2.144 371 M HA 0.317 4.786 4.480 -0.017 0.000 0.356 371 M C -1.517 174.286 176.300 -0.828 0.000 1.217 371 M CA -0.440 54.034 55.300 -1.377 0.000 1.087 371 M CB 1.613 33.194 32.600 -1.700 0.000 1.609 371 M HN 0.516 nan 8.290 nan 0.000 0.467 372 V N 7.106 126.576 119.914 -0.741 0.000 2.495 372 V HA 0.570 4.680 4.120 -0.017 0.000 0.298 372 V C -0.476 175.375 176.094 -0.406 0.000 1.031 372 V CA -0.597 61.412 62.300 -0.484 0.000 0.871 372 V CB 1.575 33.112 31.823 -0.477 0.000 0.988 372 V HN 0.794 nan 8.190 nan 0.000 0.432 373 I N 4.523 124.941 120.570 -0.253 0.000 2.439 373 I HA 0.650 4.810 4.170 -0.017 0.000 0.285 373 I C -0.086 176.024 176.117 -0.011 0.000 1.021 373 I CA 0.094 61.320 61.300 -0.123 0.000 1.091 373 I CB 1.987 39.916 38.000 -0.118 0.000 1.242 373 I HN 0.816 nan 8.210 nan 0.000 0.439 374 S N 5.566 121.280 115.700 0.024 0.000 2.638 374 S HA 0.867 5.327 4.470 -0.017 0.000 0.274 374 S C -0.957 173.738 174.600 0.159 0.000 1.157 374 S CA -0.759 57.401 58.200 -0.068 0.000 0.826 374 S CB 2.522 65.393 63.200 -0.549 0.000 1.139 374 S HN 0.540 nan 8.310 nan 0.000 0.474 375 F N -1.084 118.827 119.950 -0.066 0.000 2.668 375 F HA 0.878 5.395 4.527 -0.017 0.000 0.309 375 F C -2.284 173.601 175.800 0.140 0.000 1.117 375 F CA -1.616 56.458 58.000 0.125 0.000 0.951 375 F CB 0.861 39.998 39.000 0.228 0.000 1.323 375 F HN 0.615 nan 8.300 nan 0.000 0.451 376 F N 1.133 121.090 119.950 0.012 0.000 2.532 376 F HA 0.708 5.225 4.527 -0.017 0.000 0.321 376 F C -0.028 175.890 175.800 0.196 0.000 1.089 376 F CA -0.389 57.606 58.000 -0.009 0.000 0.926 376 F CB 2.328 41.370 39.000 0.070 0.000 1.168 376 F HN 0.864 nan 8.300 nan 0.000 0.459 377 T N 1.749 116.513 114.554 0.350 0.000 2.916 377 T HA 0.645 4.985 4.350 -0.017 0.000 0.292 377 T C -1.216 173.731 174.700 0.413 0.000 1.055 377 T CA -0.374 62.015 62.100 0.482 0.000 1.009 377 T CB 1.386 70.601 68.868 0.578 0.000 1.118 377 T HN 0.551 nan 8.240 nan 0.000 0.497 378 T N 4.180 118.950 114.554 0.360 0.000 2.847 378 T HA 0.515 4.855 4.350 -0.017 0.000 0.291 378 T C -0.707 174.064 174.700 0.117 0.000 0.998 378 T CA -0.560 61.664 62.100 0.207 0.000 0.967 378 T CB 0.502 69.466 68.868 0.161 0.000 0.954 378 T HN 0.403 nan 8.240 nan 0.000 0.441 379 I N 3.906 124.514 120.570 0.063 0.000 2.503 379 I HA 0.410 4.570 4.170 -0.017 0.000 0.277 379 I C 1.302 177.381 176.117 -0.064 0.000 1.078 379 I CA 0.107 61.386 61.300 -0.035 0.000 1.184 379 I CB -0.397 37.624 38.000 0.035 0.000 1.353 379 I HN 0.977 nan 8.210 nan 0.000 0.490 380 G N 6.529 115.287 108.800 -0.070 0.000 2.595 380 G HA2 -0.392 3.558 3.960 -0.017 0.000 0.297 380 G HA3 -0.392 3.558 3.960 -0.017 0.000 0.297 380 G C 0.992 175.825 174.900 -0.113 0.000 1.181 380 G CA 0.614 45.726 45.100 0.020 0.000 0.963 380 G HN 0.537 nan 8.290 nan 0.000 0.541 381 N N 0.179 118.581 118.700 -0.496 0.000 2.300 381 N HA 0.033 4.762 4.740 -0.017 0.000 0.179 381 N C 0.697 175.825 175.510 -0.635 0.000 1.016 381 N CA 1.295 53.714 53.050 -1.052 0.000 0.876 381 N CB -0.125 37.245 38.487 -1.861 0.000 0.979 381 N HN 0.517 nan 8.380 nan 0.000 0.432 382 Y N 1.294 121.351 120.300 -0.405 0.000 2.320 382 Y HA 0.384 4.924 4.550 -0.017 0.000 0.324 382 Y C -0.456 175.162 175.900 -0.470 0.000 1.190 382 Y CA -1.181 56.643 58.100 -0.461 0.000 1.215 382 Y CB 0.979 39.120 38.460 -0.532 0.000 1.221 382 Y HN -0.044 nan 8.280 nan 0.000 0.486 383 D N 1.480 121.696 120.400 -0.306 0.000 2.629 383 D HA 0.356 4.986 4.640 -0.017 0.000 0.250 383 D C -1.573 174.536 176.300 -0.317 0.000 1.126 383 D CA -0.387 53.544 54.000 -0.115 0.000 0.852 383 D CB 1.086 41.993 40.800 0.178 0.000 1.335 383 D HN 0.223 nan 8.370 nan 0.000 0.518 384 Y N 0.225 120.530 120.300 0.008 0.000 2.409 384 Y HA 0.657 5.196 4.550 -0.017 0.000 0.343 384 Y C 0.793 176.063 175.900 -1.049 0.000 0.973 384 Y CA -1.233 56.635 58.100 -0.387 0.000 1.064 384 Y CB 2.301 40.622 38.460 -0.232 0.000 1.207 384 Y HN 0.416 nan 8.280 nan 0.000 0.452 385 G N 2.286 110.357 108.800 -1.215 0.000 2.372 385 G HA2 0.587 4.537 3.960 -0.017 0.000 0.323 385 G HA3 0.587 4.537 3.960 -0.017 0.000 0.323 385 G C -1.683 172.673 174.900 -0.907 0.000 1.152 385 G CA -0.429 43.827 45.100 -1.407 0.000 0.906 385 G HN 0.361 nan 8.290 nan 0.000 0.460 386 F N 1.486 120.890 119.950 -0.910 0.000 2.427 386 F HA 0.474 4.991 4.527 -0.017 0.000 0.348 386 F C -0.689 174.667 175.800 -0.740 0.000 1.125 386 F CA -0.721 56.962 58.000 -0.528 0.000 0.989 386 F CB 1.842 40.728 39.000 -0.190 0.000 1.165 386 F HN 0.321 nan 8.300 nan 0.000 0.442 387 Y N 1.421 121.289 120.300 -0.721 0.000 2.376 387 Y HA 0.454 4.994 4.550 -0.017 0.000 0.340 387 Y C -1.062 174.109 175.900 -1.216 0.000 0.965 387 Y CA -1.413 56.181 58.100 -0.844 0.000 1.078 387 Y CB 1.493 39.394 38.460 -0.932 0.000 1.193 387 Y HN 0.518 nan 8.280 nan 0.000 0.452 388 W N 3.241 124.174 121.300 -0.610 0.000 2.632 388 W HA 0.624 5.273 4.660 -0.018 0.000 0.328 388 W C -1.503 174.552 176.519 -0.774 0.000 1.044 388 W CA -0.772 56.270 57.345 -0.504 0.000 1.225 388 W CB 1.278 30.602 29.460 -0.227 0.000 1.396 388 W HN 0.324 nan 8.180 nan 0.000 0.499 389 Y N 2.898 123.085 120.300 -0.189 0.000 2.425 389 Y HA 0.635 5.174 4.550 -0.017 0.000 0.344 389 Y C -0.335 175.241 175.900 -0.541 0.000 0.969 389 Y CA -1.458 56.338 58.100 -0.506 0.000 1.052 389 Y CB 1.273 39.313 38.460 -0.700 0.000 1.215 389 Y HN 0.054 nan 8.280 nan 0.000 0.451 390 L N 4.110 124.980 121.223 -0.589 0.000 2.333 390 L HA 0.536 4.866 4.340 -0.017 0.000 0.280 390 L C -1.200 175.457 176.870 -0.356 0.000 1.004 390 L CA -0.855 53.591 54.840 -0.656 0.000 0.820 390 L CB 1.239 42.615 42.059 -1.138 0.000 1.247 390 L HN 0.598 nan 8.230 nan 0.000 0.416 391 Y N 1.806 122.253 120.300 0.244 0.000 2.496 391 Y HA 0.323 4.863 4.550 -0.017 0.000 0.331 391 Y C 1.187 177.525 175.900 0.730 0.000 1.140 391 Y CA -0.769 57.588 58.100 0.428 0.000 1.166 391 Y CB 1.388 39.994 38.460 0.244 0.000 1.249 391 Y HN 0.429 nan 8.280 nan 0.000 0.479 392 L N 0.702 122.352 121.223 0.710 0.000 2.127 392 L HA -0.210 4.120 4.340 -0.017 0.000 0.211 392 L C 1.706 178.833 176.870 0.428 0.000 1.089 392 L CA 1.756 56.870 54.840 0.458 0.000 0.757 392 L CB -0.304 41.909 42.059 0.256 0.000 0.899 392 L HN 0.774 nan 8.230 nan 0.000 0.434 393 D N -0.459 120.173 120.400 0.386 0.000 2.349 393 D HA -0.023 4.607 4.640 -0.017 0.000 0.224 393 D C 1.375 177.780 176.300 0.174 0.000 1.029 393 D CA 0.903 55.017 54.000 0.190 0.000 0.879 393 D CB 0.406 41.281 40.800 0.126 0.000 0.906 393 D HN 0.352 nan 8.370 nan 0.000 0.528 394 G N -0.144 108.953 108.800 0.495 0.000 2.176 394 G HA2 -0.234 3.716 3.960 -0.017 0.000 0.232 394 G HA3 -0.234 3.716 3.960 -0.017 0.000 0.232 394 G C 0.335 175.718 174.900 0.805 0.000 0.986 394 G CA 0.205 45.623 45.100 0.529 0.000 0.643 394 G HN 0.435 nan 8.290 nan 0.000 0.522 395 T N 1.146 116.110 114.554 0.683 0.000 2.907 395 T HA 0.600 4.940 4.350 -0.017 0.000 0.298 395 T C 0.473 175.553 174.700 0.633 0.000 1.017 395 T CA 0.340 62.780 62.100 0.567 0.000 1.118 395 T CB 1.486 70.526 68.868 0.286 0.000 0.948 395 T HN 0.335 nan 8.240 nan 0.000 0.531 396 I N 2.471 123.331 120.570 0.483 0.000 2.433 396 I HA 0.486 4.645 4.170 -0.017 0.000 0.292 396 I C 0.092 176.349 176.117 0.233 0.000 1.001 396 I CA -0.596 60.870 61.300 0.277 0.000 1.119 396 I CB 1.858 40.000 38.000 0.236 0.000 1.289 396 I HN 0.595 nan 8.210 nan 0.000 0.438 397 E N 5.624 125.916 120.200 0.152 0.000 2.356 397 E HA 0.478 4.817 4.350 -0.017 0.000 0.275 397 E C -2.000 174.448 176.600 -0.254 0.000 0.904 397 E CA -0.661 55.737 56.400 -0.003 0.000 0.757 397 E CB 2.657 32.486 29.700 0.215 0.000 1.232 397 E HN 0.418 nan 8.360 nan 0.000 0.442 398 F N 2.402 121.807 119.950 -0.908 0.000 2.508 398 F HA 0.521 5.037 4.527 -0.017 0.000 0.325 398 F C -1.115 174.184 175.800 -0.836 0.000 1.090 398 F CA -0.551 56.724 58.000 -1.208 0.000 0.945 398 F CB 1.779 39.698 39.000 -1.801 0.000 1.156 398 F HN 0.485 nan 8.300 nan 0.000 0.463 399 E N 4.123 123.188 120.200 -1.892 0.000 2.274 399 E HA 0.650 4.990 4.350 -0.017 0.000 0.269 399 E C -1.841 173.898 176.600 -1.435 0.000 0.891 399 E CA -0.949 54.701 56.400 -1.250 0.000 0.784 399 E CB 1.669 31.102 29.700 -0.445 0.000 1.225 399 E HN 0.871 nan 8.360 nan 0.000 0.412 400 A N 4.564 126.750 122.820 -1.057 0.000 2.290 400 A HA 0.506 4.815 4.320 -0.017 0.000 0.310 400 A C -0.673 176.630 177.584 -0.467 0.000 1.202 400 A CA -0.601 50.923 52.037 -0.856 0.000 0.837 400 A CB 0.664 18.984 19.000 -1.134 0.000 1.139 400 A HN 0.553 nan 8.150 nan 0.000 0.509 401 K N 1.847 122.037 120.400 -0.349 0.000 2.425 401 K HA 0.544 4.854 4.320 -0.017 0.000 0.259 401 K C -0.571 175.969 176.600 -0.099 0.000 0.978 401 K CA -0.253 55.938 56.287 -0.160 0.000 0.883 401 K CB 2.024 34.503 32.500 -0.036 0.000 1.110 401 K HN 0.731 nan 8.250 nan 0.000 0.436 402 A N 2.646 125.439 122.820 -0.045 0.000 2.260 402 A HA 0.521 4.831 4.320 -0.017 0.000 0.308 402 A C -0.037 177.500 177.584 -0.078 0.000 1.254 402 A CA -0.150 51.847 52.037 -0.067 0.000 0.874 402 A CB 1.096 19.987 19.000 -0.182 0.000 1.153 402 A HN 0.672 nan 8.150 nan 0.000 0.527 403 T N 0.929 115.431 114.554 -0.086 0.000 2.598 403 T HA 0.792 5.131 4.350 -0.017 0.000 0.289 403 T C 0.315 175.030 174.700 0.025 0.000 1.056 403 T CA 1.048 63.148 62.100 -0.001 0.000 1.088 403 T CB 0.726 69.624 68.868 0.050 0.000 1.519 403 T HN 2.644 nan 8.240 nan 0.000 0.488 404 G N -0.111 108.671 108.800 -0.030 0.000 2.472 404 G HA2 0.012 3.962 3.960 -0.017 0.000 0.205 404 G HA3 0.012 3.962 3.960 -0.017 0.000 0.205 404 G C -1.129 173.672 174.900 -0.165 0.000 1.270 404 G CA -0.247 44.795 45.100 -0.097 0.000 0.974 404 G HN 1.285 nan 8.290 nan 0.000 0.542 405 V N 0.419 120.135 119.914 -0.330 0.000 2.483 405 V HA 0.587 4.697 4.120 -0.017 0.000 0.295 405 V C 1.055 176.838 176.094 -0.518 0.000 1.035 405 V CA -0.664 61.410 62.300 -0.376 0.000 0.896 405 V CB 1.447 32.986 31.823 -0.474 0.000 0.986 405 V HN 0.864 nan 8.190 nan 0.000 0.447 406 V N 4.031 123.855 119.914 -0.149 0.000 2.924 406 V HA 0.162 4.272 4.120 -0.017 0.000 0.305 406 V C -0.034 175.968 176.094 -0.153 0.000 1.073 406 V CA -0.116 62.117 62.300 -0.112 0.000 1.098 406 V CB 0.968 32.954 31.823 0.272 0.000 1.000 406 V HN 0.673 nan 8.190 nan 0.000 0.484 407 F N 3.957 123.731 119.950 -0.295 0.000 2.445 407 F HA 0.392 4.909 4.527 -0.017 0.000 0.359 407 F C 0.867 176.735 175.800 0.114 0.000 1.101 407 F CA -0.153 57.780 58.000 -0.112 0.000 1.177 407 F CB 0.779 39.690 39.000 -0.149 0.000 1.110 407 F HN 0.691 nan 8.300 nan 0.000 0.522 408 T N 1.611 116.115 114.554 -0.084 0.000 2.936 408 T HA 0.832 5.172 4.350 -0.017 0.000 0.282 408 T C -0.129 174.557 174.700 -0.024 0.000 1.003 408 T CA -0.282 61.818 62.100 0.001 0.000 1.005 408 T CB 1.638 70.494 68.868 -0.020 0.000 1.097 408 T HN 0.672 nan 8.240 nan 0.000 0.532 409 S N -0.405 115.270 115.700 -0.042 0.000 2.790 409 S HA 0.805 5.265 4.470 -0.017 0.000 0.292 409 S C -0.686 173.844 174.600 -0.116 0.000 1.197 409 S CA -0.834 57.299 58.200 -0.110 0.000 0.851 409 S CB 0.828 63.983 63.200 -0.075 0.000 1.217 409 S HN 1.390 nan 8.310 nan 0.000 0.526 410 A N 0.393 123.099 122.820 -0.190 0.000 2.304 410 A HA 0.727 5.036 4.320 -0.017 0.000 0.301 410 A C -0.923 176.673 177.584 0.019 0.000 1.132 410 A CA -0.497 51.492 52.037 -0.080 0.000 0.819 410 A CB 0.027 18.962 19.000 -0.108 0.000 1.094 410 A HN 0.876 nan 8.150 nan 0.000 0.492 411 F N 3.042 122.979 119.950 -0.022 0.000 2.404 411 F HA 0.496 5.013 4.527 -0.017 0.000 0.358 411 F C -2.082 173.761 175.800 0.072 0.000 1.120 411 F CA -2.399 55.601 58.000 0.000 0.000 1.144 411 F CB 0.810 39.802 39.000 -0.013 0.000 1.133 411 F HN 0.312 nan 8.300 nan 0.000 0.495 412 P HA -0.020 nan 4.420 nan 0.000 0.264 412 P C 0.723 177.841 177.300 -0.304 0.000 1.183 412 P CA 0.297 63.239 63.100 -0.263 0.000 0.763 412 P CB 0.621 32.135 31.700 -0.310 0.000 0.807 413 E N 2.830 122.976 120.200 -0.090 0.000 2.068 413 E HA -0.202 4.138 4.350 -0.017 0.000 0.207 413 E C 1.374 177.959 176.600 -0.024 0.000 1.032 413 E CA 1.681 58.066 56.400 -0.025 0.000 0.839 413 E CB -0.549 29.135 29.700 -0.027 0.000 0.758 413 E HN 0.651 nan 8.360 nan 0.000 0.457 414 G N -0.056 108.706 108.800 -0.063 0.000 3.530 414 G HA2 0.418 4.368 3.960 -0.017 0.000 0.269 414 G HA3 0.418 4.368 3.960 -0.017 0.000 0.269 414 G C 0.290 175.157 174.900 -0.055 0.000 1.314 414 G CA 0.229 45.310 45.100 -0.032 0.000 1.441 414 G HN 0.592 nan 8.290 nan 0.000 0.595 415 G N -0.680 108.049 108.800 -0.119 0.000 2.796 415 G HA2 0.184 4.134 3.960 -0.017 0.000 0.226 415 G HA3 0.184 4.134 3.960 -0.017 0.000 0.226 415 G C -0.228 174.467 174.900 -0.342 0.000 1.381 415 G CA -0.004 45.007 45.100 -0.147 0.000 0.867 415 G HN 1.457 nan 8.290 nan 0.000 0.552 416 S N -1.238 114.355 115.700 -0.178 0.000 2.535 416 S HA 0.566 5.026 4.470 -0.017 0.000 0.272 416 S C -0.016 174.580 174.600 -0.006 0.000 1.149 416 S CA 0.393 58.499 58.200 -0.156 0.000 0.888 416 S CB 1.691 64.705 63.200 -0.311 0.000 1.110 416 S HN 0.595 nan 8.310 nan 0.000 0.463 417 D N 2.787 123.181 120.400 -0.009 0.000 2.355 417 D HA 0.138 4.768 4.640 -0.017 0.000 0.218 417 D C 0.534 176.852 176.300 0.030 0.000 1.004 417 D CA 0.681 54.727 54.000 0.076 0.000 0.880 417 D CB 0.018 40.866 40.800 0.080 0.000 0.911 417 D HN 0.640 nan 8.370 nan 0.000 0.528 418 N N -0.743 117.801 118.700 -0.260 0.000 2.160 418 N HA 0.260 4.990 4.740 -0.017 0.000 0.226 418 N C -0.267 174.540 175.510 -1.172 0.000 1.256 418 N CA -0.013 52.678 53.050 -0.598 0.000 0.890 418 N CB 1.701 40.072 38.487 -0.193 0.000 1.116 418 N HN 0.003 nan 8.380 nan 0.000 0.517 419 I N 0.179 120.220 120.570 -0.881 0.000 2.802 419 I HA 0.373 4.532 4.170 -0.017 0.000 0.298 419 I C -0.700 175.422 176.117 0.008 0.000 1.176 419 I CA -1.025 60.020 61.300 -0.424 0.000 1.025 419 I CB 2.246 40.207 38.000 -0.065 0.000 1.243 419 I HN -0.057 nan 8.210 nan 0.000 0.424 420 S N 3.443 119.302 115.700 0.266 0.000 2.568 420 S HA 0.509 4.969 4.470 -0.017 0.000 0.302 420 S C -0.812 173.794 174.600 0.010 0.000 1.082 420 S CA -0.800 57.587 58.200 0.311 0.000 1.009 420 S CB 2.080 65.542 63.200 0.437 0.000 1.069 420 S HN 0.664 nan 8.310 nan 0.000 0.500 421 Q N 0.944 120.460 119.800 -0.472 0.000 2.267 421 Q HA 0.457 4.787 4.340 -0.017 0.000 0.255 421 Q C -0.216 175.592 176.000 -0.319 0.000 0.923 421 Q CA -0.487 54.883 55.803 -0.722 0.000 0.925 421 Q CB 0.780 28.721 28.738 -1.329 0.000 1.195 421 Q HN 0.879 nan 8.270 nan 0.000 0.417 422 L N 1.948 123.005 121.223 -0.277 0.000 2.642 422 L HA 0.539 4.869 4.340 -0.017 0.000 0.233 422 L C 0.306 177.055 176.870 -0.203 0.000 1.077 422 L CA 0.042 54.755 54.840 -0.212 0.000 0.879 422 L CB 0.699 42.548 42.059 -0.350 0.000 1.151 422 L HN 0.614 nan 8.230 nan 0.000 0.495 423 A N -0.904 121.767 122.820 -0.249 0.000 2.557 423 A HA 0.674 4.984 4.320 -0.017 0.000 0.292 423 A C -2.800 174.711 177.584 -0.122 0.000 1.139 423 A CA -1.001 50.949 52.037 -0.145 0.000 0.665 423 A CB 0.390 19.299 19.000 -0.152 0.000 1.285 423 A HN -0.241 nan 8.150 nan 0.000 0.433 424 P HA 0.339 nan 4.420 nan 0.000 0.266 424 P C 0.993 178.298 177.300 0.008 0.000 1.215 424 P CA 2.126 65.217 63.100 -0.016 0.000 0.763 424 P CB 0.620 32.326 31.700 0.010 0.000 0.806 425 G N 2.663 111.495 108.800 0.054 0.000 2.284 425 G HA2 -0.296 3.654 3.960 -0.017 0.000 0.261 425 G HA3 -0.296 3.654 3.960 -0.017 0.000 0.261 425 G C -0.048 174.902 174.900 0.084 0.000 0.997 425 G CA -0.045 45.121 45.100 0.109 0.000 0.621 425 G HN 0.563 nan 8.290 nan 0.000 0.534 426 L N 2.195 123.398 121.223 -0.033 0.000 2.281 426 L HA 0.722 5.052 4.340 -0.017 0.000 0.285 426 L C 0.840 177.640 176.870 -0.117 0.000 1.074 426 L CA 0.484 55.242 54.840 -0.137 0.000 0.817 426 L CB 0.887 42.740 42.059 -0.343 0.000 1.168 426 L HN 0.412 nan 8.230 nan 0.000 0.434 427 G N 3.425 112.214 108.800 -0.018 0.000 2.537 427 G HA2 0.797 4.747 3.960 -0.017 0.000 0.323 427 G HA3 0.797 4.747 3.960 -0.017 0.000 0.323 427 G C -1.643 173.272 174.900 0.026 0.000 1.207 427 G CA -0.310 44.845 45.100 0.091 0.000 0.976 427 G HN 0.952 nan 8.290 nan 0.000 0.487 428 A N 0.989 123.883 122.820 0.123 0.000 2.530 428 A HA 0.749 5.058 4.320 -0.017 0.000 0.279 428 A C -2.917 174.841 177.584 0.289 0.000 1.109 428 A CA -1.214 50.944 52.037 0.202 0.000 0.763 428 A CB 1.707 20.839 19.000 0.219 0.000 1.257 428 A HN 0.409 nan 8.150 nan 0.000 0.424 429 P HA 0.254 nan 4.420 nan 0.000 0.269 429 P C -0.460 177.150 177.300 0.516 0.000 1.209 429 P CA 0.105 63.372 63.100 0.279 0.000 0.776 429 P CB 0.213 32.122 31.700 0.348 0.000 0.876 430 F N 2.951 123.033 119.950 0.220 0.000 2.471 430 F HA 0.236 4.753 4.527 -0.017 0.000 0.353 430 F C 1.546 177.297 175.800 -0.080 0.000 1.113 430 F CA 0.359 58.366 58.000 0.013 0.000 1.262 430 F CB -0.447 38.526 39.000 -0.044 0.000 1.146 430 F HN 0.468 nan 8.300 nan 0.000 0.578 431 H N 0.303 119.237 119.070 -0.227 0.000 2.948 431 H HA 0.544 5.090 4.556 -0.017 0.000 0.315 431 H C -1.674 173.356 175.328 -0.497 0.000 1.360 431 H CA -1.107 54.605 56.048 -0.561 0.000 1.125 431 H CB 1.499 30.561 29.762 -1.166 0.000 1.844 431 H HN 0.577 nan 8.280 nan 0.000 0.529 432 Q N 0.037 119.549 119.800 -0.480 0.000 2.458 432 Q HA 0.404 4.734 4.340 -0.017 0.000 0.282 432 Q C -0.983 174.687 176.000 -0.550 0.000 1.106 432 Q CA -0.975 54.556 55.803 -0.454 0.000 0.814 432 Q CB 2.858 31.389 28.738 -0.345 0.000 1.425 432 Q HN 0.578 nan 8.270 nan 0.000 0.437 433 H N 1.091 119.900 119.070 -0.435 0.000 2.953 433 H HA 0.398 4.944 4.556 -0.017 0.000 0.290 433 H C -0.934 174.075 175.328 -0.531 0.000 1.113 433 H CA -0.195 55.553 56.048 -0.500 0.000 1.454 433 H CB 0.635 30.140 29.762 -0.427 0.000 1.525 433 H HN 0.427 nan 8.280 nan 0.000 0.505 434 I N 3.333 123.599 120.570 -0.507 0.000 2.377 434 I HA 0.265 4.425 4.170 -0.017 0.000 0.293 434 I C -0.475 175.278 176.117 -0.607 0.000 0.987 434 I CA -0.572 60.473 61.300 -0.425 0.000 1.185 434 I CB 0.946 38.756 38.000 -0.317 0.000 1.341 434 I HN 0.184 nan 8.210 nan 0.000 0.455 435 F N 2.903 122.552 119.950 -0.502 0.000 2.523 435 F HA 0.551 5.068 4.527 -0.017 0.000 0.329 435 F C 0.446 176.008 175.800 -0.398 0.000 1.061 435 F CA -0.880 56.791 58.000 -0.549 0.000 0.967 435 F CB 1.864 40.255 39.000 -1.014 0.000 1.218 435 F HN 0.253 nan 8.300 nan 0.000 0.480 436 S N 1.126 116.847 115.700 0.034 0.000 2.659 436 S HA 0.791 5.250 4.470 -0.017 0.000 0.312 436 S C -0.981 173.711 174.600 0.152 0.000 1.114 436 S CA -0.491 57.760 58.200 0.084 0.000 1.063 436 S CB 0.528 63.621 63.200 -0.177 0.000 0.996 436 S HN 0.844 nan 8.310 nan 0.000 0.478 437 A N 4.769 127.728 122.820 0.231 0.000 2.274 437 A HA 0.655 4.965 4.320 -0.017 0.000 0.309 437 A C 0.075 177.680 177.584 0.036 0.000 1.226 437 A CA -0.708 51.429 52.037 0.168 0.000 0.853 437 A CB 0.471 19.529 19.000 0.098 0.000 1.146 437 A HN 0.848 nan 8.150 nan 0.000 0.518 438 R N 3.421 123.877 120.500 -0.074 0.000 2.229 438 R HA 0.553 4.882 4.340 -0.017 0.000 0.332 438 R C -1.603 174.506 176.300 -0.319 0.000 0.989 438 R CA -0.368 55.486 56.100 -0.411 0.000 0.842 438 R CB 0.354 30.284 30.300 -0.617 0.000 1.119 438 R HN 0.711 nan 8.270 nan 0.000 0.456 439 L N 4.448 125.475 121.223 -0.326 0.000 2.324 439 L HA 0.265 4.594 4.340 -0.017 0.000 0.274 439 L C -0.548 176.196 176.870 -0.209 0.000 1.012 439 L CA -0.902 53.825 54.840 -0.188 0.000 0.859 439 L CB 1.528 43.544 42.059 -0.071 0.000 1.224 439 L HN 0.571 nan 8.230 nan 0.000 0.429 440 D N 4.770 125.058 120.400 -0.186 0.000 2.374 440 D HA 0.169 4.799 4.640 -0.017 0.000 0.240 440 D C 0.088 176.361 176.300 -0.045 0.000 1.229 440 D CA -0.241 53.696 54.000 -0.105 0.000 0.895 440 D CB 0.636 41.389 40.800 -0.078 0.000 1.046 440 D HN 0.130 nan 8.370 nan 0.000 0.498 441 M N 2.668 122.259 119.600 -0.014 0.000 2.228 441 M HA 0.329 4.798 4.480 -0.017 0.000 0.351 441 M C 0.306 176.615 176.300 0.015 0.000 1.233 441 M CA -0.432 54.864 55.300 -0.007 0.000 1.129 441 M CB 0.693 33.302 32.600 0.015 0.000 1.604 441 M HN 0.481 nan 8.290 nan 0.000 0.457 442 A N 4.701 127.465 122.820 -0.092 0.000 3.234 442 A HA 0.400 4.709 4.320 -0.017 0.000 0.247 442 A C -0.213 177.274 177.584 -0.162 0.000 0.938 442 A CA -0.530 51.368 52.037 -0.232 0.000 1.039 442 A CB 0.083 18.800 19.000 -0.471 0.000 1.197 442 A HN 0.626 nan 8.150 nan 0.000 0.498 443 I N 1.658 122.195 120.570 -0.056 0.000 2.691 443 I HA 0.040 4.200 4.170 -0.017 0.000 0.288 443 I C 0.338 176.515 176.117 0.100 0.000 1.143 443 I CA 0.846 62.179 61.300 0.056 0.000 1.364 443 I CB -1.104 36.968 38.000 0.120 0.000 1.435 443 I HN 0.479 nan 8.210 nan 0.000 0.551 444 D N 5.023 125.504 120.400 0.136 0.000 2.772 444 D HA -0.147 4.483 4.640 -0.017 0.000 0.233 444 D C 0.648 176.908 176.300 -0.066 0.000 1.143 444 D CA 1.635 55.653 54.000 0.029 0.000 0.700 444 D CB -0.728 40.052 40.800 -0.033 0.000 1.076 444 D HN 1.124 nan 8.370 nan 0.000 0.430 445 G N -2.048 106.653 108.800 -0.165 0.000 2.462 445 G HA2 -0.135 3.814 3.960 -0.017 0.000 0.685 445 G HA3 -0.135 3.814 3.960 -0.017 0.000 0.685 445 G C 0.376 175.100 174.900 -0.294 0.000 1.295 445 G CA -0.352 44.578 45.100 -0.283 0.000 0.941 445 G HN 0.060 nan 8.290 nan 0.000 0.554 446 F N 0.725 120.665 119.950 -0.018 0.000 2.558 446 F HA 0.182 4.699 4.527 -0.017 0.000 0.298 446 F C 2.376 178.173 175.800 -0.004 0.000 1.119 446 F CA 1.338 59.322 58.000 -0.027 0.000 1.451 446 F CB 0.046 39.015 39.000 -0.052 0.000 1.091 446 F HN 0.308 nan 8.300 nan 0.000 0.563 447 T N 2.681 117.323 114.554 0.147 0.000 3.182 447 T HA 0.125 4.465 4.350 -0.017 0.000 0.274 447 T C -0.012 174.739 174.700 0.086 0.000 0.997 447 T CA -0.108 62.055 62.100 0.106 0.000 1.082 447 T CB -0.582 68.330 68.868 0.072 0.000 1.005 447 T HN -0.001 nan 8.240 nan 0.000 0.688 448 N N 2.448 121.207 118.700 0.099 0.000 2.531 448 N HA 0.691 5.421 4.740 -0.017 0.000 0.290 448 N C -0.266 175.297 175.510 0.089 0.000 1.257 448 N CA -0.950 52.153 53.050 0.089 0.000 0.863 448 N CB 1.784 40.325 38.487 0.091 0.000 1.320 448 N HN 0.489 nan 8.380 nan 0.000 0.538 449 R N -0.439 120.114 120.500 0.089 0.000 2.710 449 R HA 0.628 4.958 4.340 -0.017 0.000 0.270 449 R C -2.095 174.267 176.300 0.102 0.000 1.021 449 R CA -0.581 55.573 56.100 0.090 0.000 0.889 449 R CB 1.085 31.432 30.300 0.078 0.000 1.243 449 R HN 0.279 nan 8.270 nan 0.000 0.464 450 V N 2.144 122.125 119.914 0.112 0.000 2.540 450 V HA 0.453 4.563 4.120 -0.017 0.000 0.302 450 V C -0.720 175.464 176.094 0.150 0.000 1.035 450 V CA -0.688 61.696 62.300 0.139 0.000 0.873 450 V CB 1.836 33.747 31.823 0.147 0.000 0.992 450 V HN 0.781 nan 8.190 nan 0.000 0.428 451 E N 2.317 122.614 120.200 0.162 0.000 2.222 451 E HA 0.425 4.764 4.350 -0.017 0.000 0.267 451 E C -0.935 175.762 176.600 0.161 0.000 0.884 451 E CA -0.626 55.855 56.400 0.135 0.000 0.764 451 E CB 2.703 32.450 29.700 0.079 0.000 1.169 451 E HN 0.745 nan 8.360 nan 0.000 0.413 452 E N 2.866 123.145 120.200 0.132 0.000 2.115 452 E HA 0.073 4.413 4.350 -0.017 0.000 0.282 452 E C -0.989 175.539 176.600 -0.120 0.000 0.987 452 E CA -0.279 56.117 56.400 -0.008 0.000 0.797 452 E CB 0.894 30.660 29.700 0.112 0.000 1.086 452 E HN 0.375 nan 8.360 nan 0.000 0.397 453 E N 4.299 124.357 120.200 -0.238 0.000 2.134 453 E HA 0.159 4.498 4.350 -0.017 0.000 0.278 453 E C -1.193 175.288 176.600 -0.199 0.000 0.959 453 E CA -0.732 55.568 56.400 -0.167 0.000 0.783 453 E CB 0.883 30.504 29.700 -0.131 0.000 1.095 453 E HN 0.448 nan 8.360 nan 0.000 0.399 454 D N 2.305 122.633 120.400 -0.120 0.000 2.340 454 D HA 0.280 4.910 4.640 -0.017 0.000 0.240 454 D C -0.616 175.655 176.300 -0.048 0.000 1.001 454 D CA -0.560 53.380 54.000 -0.100 0.000 0.888 454 D CB 2.117 42.874 40.800 -0.072 0.000 1.310 454 D HN 0.140 nan 8.370 nan 0.000 0.474 455 V N 1.271 121.160 119.914 -0.041 0.000 2.686 455 V HA 0.275 4.385 4.120 -0.017 0.000 0.295 455 V C 0.101 176.202 176.094 0.012 0.000 1.055 455 V CA -0.369 61.929 62.300 -0.002 0.000 1.050 455 V CB 1.521 33.317 31.823 -0.045 0.000 0.984 455 V HN 0.254 nan 8.190 nan 0.000 0.482 456 V N 5.875 125.825 119.914 0.059 0.000 2.444 456 V HA 0.462 4.571 4.120 -0.017 0.000 0.294 456 V C 0.130 176.277 176.094 0.088 0.000 1.022 456 V CA -0.812 61.520 62.300 0.053 0.000 0.850 456 V CB 1.590 33.442 31.823 0.048 0.000 0.992 456 V HN 0.798 nan 8.190 nan 0.000 0.426 457 R N 3.453 123.985 120.500 0.054 0.000 2.349 457 R HA 0.544 4.874 4.340 -0.017 0.000 0.299 457 R C -0.506 175.832 176.300 0.063 0.000 1.027 457 R CA -0.476 55.663 56.100 0.065 0.000 0.958 457 R CB 1.361 31.674 30.300 0.021 0.000 1.047 457 R HN 0.680 nan 8.270 nan 0.000 0.468 458 Q N 0.565 120.412 119.800 0.079 0.000 2.266 458 Q HA 0.293 4.623 4.340 -0.017 0.000 0.261 458 Q C -0.590 175.434 176.000 0.040 0.000 0.985 458 Q CA -0.595 55.240 55.803 0.053 0.000 0.873 458 Q CB 2.379 31.148 28.738 0.051 0.000 1.306 458 Q HN 0.445 nan 8.270 nan 0.000 0.447 459 T N 1.952 116.522 114.554 0.027 0.000 2.889 459 T HA 0.287 4.626 4.350 -0.017 0.000 0.291 459 T C -0.103 174.608 174.700 0.018 0.000 0.995 459 T CA -0.456 61.656 62.100 0.021 0.000 1.092 459 T CB 0.569 69.446 68.868 0.015 0.000 0.954 459 T HN 0.467 nan 8.240 nan 0.000 0.506 460 M N 3.014 122.624 119.600 0.017 0.000 2.219 460 M HA 0.466 4.936 4.480 -0.017 0.000 0.353 460 M C 0.425 176.731 176.300 0.010 0.000 1.304 460 M CA 0.796 56.105 55.300 0.014 0.000 1.115 460 M CB -0.466 32.143 32.600 0.014 0.000 1.664 460 M HN 0.900 nan 8.290 nan 0.000 0.459 461 G N 4.418 113.223 108.800 0.008 0.000 2.344 461 G HA2 0.218 4.168 3.960 -0.017 0.000 0.282 461 G HA3 0.218 4.168 3.960 -0.017 0.000 0.282 461 G C -3.399 171.504 174.900 0.004 0.000 1.281 461 G CA -1.152 43.952 45.100 0.006 0.000 0.877 461 G HN 0.414 nan 8.290 nan 0.000 0.494 462 P HA 0.291 nan 4.420 nan 0.000 0.263 462 P C 1.055 178.355 177.300 -0.000 0.000 1.175 462 P CA 2.407 65.507 63.100 0.001 0.000 0.761 462 P CB 0.657 32.358 31.700 0.001 0.000 0.794 463 G N 2.436 111.235 108.800 -0.002 0.000 2.212 463 G HA2 -0.287 3.663 3.960 -0.017 0.000 0.266 463 G HA3 -0.287 3.663 3.960 -0.017 0.000 0.266 463 G C 0.505 175.402 174.900 -0.006 0.000 0.978 463 G CA 0.450 45.547 45.100 -0.005 0.000 0.632 463 G HN 0.693 nan 8.290 nan 0.000 0.537 464 N N -0.154 118.545 118.700 -0.002 0.000 2.605 464 N HA 0.314 5.043 4.740 -0.017 0.000 0.265 464 N C 0.869 176.382 175.510 0.004 0.000 1.625 464 N CA 0.478 53.528 53.050 0.000 0.000 0.862 464 N CB 0.330 38.820 38.487 0.005 0.000 1.415 464 N HN 0.163 nan 8.380 nan 0.000 0.513 465 E N 0.035 120.236 120.200 0.002 0.000 2.153 465 E HA -0.004 4.336 4.350 -0.017 0.000 0.194 465 E C 1.142 177.745 176.600 0.006 0.000 0.988 465 E CA 1.144 57.546 56.400 0.003 0.000 0.811 465 E CB 0.127 29.828 29.700 0.002 0.000 0.746 465 E HN 0.370 nan 8.360 nan 0.000 0.466 466 R N -0.571 119.933 120.500 0.006 0.000 2.317 466 R HA 0.143 4.473 4.340 -0.017 0.000 0.208 466 R C 0.698 177.007 176.300 0.015 0.000 0.914 466 R CA 0.465 56.570 56.100 0.009 0.000 1.060 466 R CB 0.310 30.615 30.300 0.008 0.000 1.015 466 R HN 0.219 nan 8.270 nan 0.000 0.498 467 G N 2.221 111.031 108.800 0.017 0.000 2.305 467 G HA2 -0.356 3.594 3.960 -0.017 0.000 0.287 467 G HA3 -0.356 3.594 3.960 -0.017 0.000 0.287 467 G C 0.235 175.160 174.900 0.041 0.000 1.036 467 G CA 0.996 46.112 45.100 0.026 0.000 0.887 467 G HN 0.699 nan 8.290 nan 0.000 0.505 468 N N -1.072 117.654 118.700 0.043 0.000 2.294 468 N HA 0.512 5.242 4.740 -0.017 0.000 0.186 468 N C 1.202 176.768 175.510 0.094 0.000 1.107 468 N CA 0.530 53.621 53.050 0.068 0.000 0.884 468 N CB 0.411 38.924 38.487 0.044 0.000 1.030 468 N HN 0.789 nan 8.380 nan 0.000 0.482 469 A N 0.722 123.569 122.820 0.046 0.000 2.462 469 A HA 0.455 4.765 4.320 -0.017 0.000 0.243 469 A C -0.557 177.093 177.584 0.110 0.000 1.076 469 A CA -0.292 51.745 52.037 0.000 0.000 0.773 469 A CB -0.289 18.695 19.000 -0.026 0.000 1.010 469 A HN 0.482 nan 8.150 nan 0.000 0.493 470 F N 0.355 120.300 119.950 -0.007 0.000 2.631 470 F HA 0.823 5.341 4.527 -0.015 0.000 0.308 470 F C -0.229 175.565 175.800 -0.010 0.000 1.097 470 F CA -0.572 57.422 58.000 -0.009 0.000 0.952 470 F CB 1.072 40.066 39.000 -0.010 0.000 1.307 470 F HN 0.568 nan 8.300 nan 0.000 0.450 471 S N 0.955 116.784 115.700 0.214 0.000 3.081 471 S HA 0.853 5.313 4.470 -0.017 0.000 0.316 471 S C -1.407 173.281 174.600 0.148 0.000 1.089 471 S CA -0.834 57.421 58.200 0.093 0.000 0.897 471 S CB 1.472 64.692 63.200 0.032 0.000 1.358 471 S HN 1.112 nan 8.310 nan 0.000 0.678 472 R N 0.574 121.117 120.500 0.071 0.000 2.710 472 R HA 0.606 4.935 4.340 -0.017 0.000 0.270 472 R C -1.983 174.329 176.300 0.021 0.000 1.021 472 R CA -0.922 55.208 56.100 0.050 0.000 0.889 472 R CB 1.275 31.603 30.300 0.046 0.000 1.243 472 R HN 0.703 nan 8.270 nan 0.000 0.464 473 K N 1.687 122.090 120.400 0.005 0.000 2.426 473 K HA 0.594 4.904 4.320 -0.017 0.000 0.251 473 K C -1.129 175.466 176.600 -0.009 0.000 0.941 473 K CA -1.135 55.153 56.287 0.001 0.000 0.808 473 K CB 2.761 35.263 32.500 0.003 0.000 1.265 473 K HN 0.614 nan 8.250 nan 0.000 0.432 474 R N 0.983 121.483 120.500 -0.000 0.000 2.561 474 R HA 0.388 4.717 4.340 -0.017 0.000 0.297 474 R C -1.154 175.157 176.300 0.018 0.000 0.969 474 R CA -0.887 55.215 56.100 0.003 0.000 0.879 474 R CB 2.566 32.871 30.300 0.010 0.000 1.178 474 R HN 0.665 nan 8.270 nan 0.000 0.445 475 T N 2.209 116.780 114.554 0.029 0.000 2.815 475 T HA 0.222 4.561 4.350 -0.017 0.000 0.289 475 T C -0.111 174.629 174.700 0.066 0.000 1.000 475 T CA -0.602 61.524 62.100 0.044 0.000 0.958 475 T CB 1.546 70.441 68.868 0.045 0.000 0.944 475 T HN 0.144 nan 8.240 nan 0.000 0.442 476 V N 5.163 125.113 119.914 0.061 0.000 2.572 476 V HA 0.194 4.304 4.120 -0.017 0.000 0.291 476 V C 0.387 176.528 176.094 0.078 0.000 1.039 476 V CA -0.426 61.917 62.300 0.072 0.000 1.055 476 V CB 0.366 32.225 31.823 0.059 0.000 0.969 476 V HN 0.718 nan 8.190 nan 0.000 0.482 477 L N 5.741 127.021 121.223 0.095 0.000 2.295 477 L HA 0.244 4.574 4.340 -0.017 0.000 0.288 477 L C 1.545 178.463 176.870 0.080 0.000 1.079 477 L CA -0.138 54.757 54.840 0.091 0.000 0.830 477 L CB 0.856 42.980 42.059 0.109 0.000 1.200 477 L HN 0.915 nan 8.230 nan 0.000 0.438 478 T N -0.444 114.150 114.554 0.067 0.000 2.976 478 T HA 0.139 4.479 4.350 -0.017 0.000 0.257 478 T C 0.969 175.706 174.700 0.062 0.000 1.051 478 T CA 0.133 62.270 62.100 0.061 0.000 1.141 478 T CB 0.301 69.199 68.868 0.050 0.000 0.881 478 T HN 0.327 nan 8.240 nan 0.000 0.461 479 R N 0.876 121.413 120.500 0.061 0.000 2.807 479 R HA 0.476 4.806 4.340 -0.017 0.000 0.276 479 R C 0.655 176.998 176.300 0.071 0.000 0.979 479 R CA -0.614 55.523 56.100 0.062 0.000 0.928 479 R CB 1.274 31.604 30.300 0.051 0.000 1.191 479 R HN 0.267 nan 8.270 nan 0.000 0.471 480 E N 0.541 120.790 120.200 0.082 0.000 2.209 480 E HA -0.175 4.165 4.350 -0.017 0.000 0.196 480 E C 1.266 177.917 176.600 0.085 0.000 0.993 480 E CA 1.866 58.327 56.400 0.101 0.000 0.819 480 E CB 0.150 29.920 29.700 0.116 0.000 0.745 480 E HN 0.629 nan 8.360 nan 0.000 0.477 481 S N 1.072 116.811 115.700 0.064 0.000 2.474 481 S HA -0.157 4.303 4.470 -0.017 0.000 0.235 481 S C 1.460 176.078 174.600 0.030 0.000 0.997 481 S CA 1.077 59.306 58.200 0.048 0.000 0.949 481 S CB -0.249 62.975 63.200 0.039 0.000 0.766 481 S HN 0.439 nan 8.310 nan 0.000 0.517 482 E N 0.226 120.448 120.200 0.036 0.000 2.651 482 E HA 0.562 4.902 4.350 -0.017 0.000 0.208 482 E C 0.611 177.228 176.600 0.028 0.000 0.997 482 E CA 0.083 56.499 56.400 0.026 0.000 1.020 482 E CB 0.505 30.226 29.700 0.035 0.000 1.052 482 E HN 0.472 nan 8.360 nan 0.000 0.465 483 A N 0.841 123.677 122.820 0.027 0.000 2.574 483 A HA 0.321 4.631 4.320 -0.017 0.000 0.283 483 A C 0.145 177.696 177.584 -0.055 0.000 1.270 483 A CA -0.233 51.820 52.037 0.028 0.000 0.945 483 A CB 0.456 19.507 19.000 0.085 0.000 1.127 483 A HN 0.114 nan 8.150 nan 0.000 0.522 484 V N 2.991 122.809 119.914 -0.160 0.000 2.294 484 V HA 0.393 4.503 4.120 -0.017 0.000 0.272 484 V C -0.439 175.437 176.094 -0.364 0.000 1.027 484 V CA -0.672 61.349 62.300 -0.466 0.000 0.823 484 V CB 0.478 31.926 31.823 -0.625 0.000 1.030 484 V HN 0.453 nan 8.190 nan 0.000 0.457 485 R N 3.501 123.794 120.500 -0.345 0.000 2.787 485 R HA 0.678 5.008 4.340 -0.017 0.000 0.271 485 R C -0.186 176.055 176.300 -0.099 0.000 0.993 485 R CA -0.721 55.303 56.100 -0.127 0.000 0.993 485 R CB 2.043 32.374 30.300 0.052 0.000 1.155 485 R HN 0.877 nan 8.270 nan 0.000 0.486 486 E N 0.246 120.497 120.200 0.085 0.000 2.277 486 E HA 0.712 5.052 4.350 -0.017 0.000 0.266 486 E C -0.832 175.962 176.600 0.323 0.000 0.901 486 E CA -1.151 55.329 56.400 0.133 0.000 0.782 486 E CB 1.751 31.484 29.700 0.056 0.000 1.228 486 E HN 0.540 nan 8.360 nan 0.000 0.424 487 A N 1.403 124.421 122.820 0.330 0.000 2.346 487 A HA 0.276 4.586 4.320 -0.017 0.000 0.252 487 A C -0.315 177.366 177.584 0.160 0.000 1.089 487 A CA -0.065 52.177 52.037 0.342 0.000 0.797 487 A CB 0.335 19.533 19.000 0.330 0.000 1.047 487 A HN 0.697 nan 8.150 nan 0.000 0.494 488 D N -0.107 120.340 120.400 0.078 0.000 2.411 488 D HA 0.432 5.062 4.640 -0.017 0.000 0.239 488 D C 0.595 176.894 176.300 -0.001 0.000 1.307 488 D CA 0.292 54.308 54.000 0.027 0.000 0.930 488 D CB 0.751 41.549 40.800 -0.004 0.000 1.395 488 D HN 0.469 nan 8.370 nan 0.000 0.536 489 A N 3.007 125.843 122.820 0.028 0.000 1.969 489 A HA -0.132 4.177 4.320 -0.017 0.000 0.218 489 A C 2.039 179.619 177.584 -0.007 0.000 1.169 489 A CA 1.215 53.264 52.037 0.021 0.000 0.635 489 A CB -0.167 18.861 19.000 0.047 0.000 0.810 489 A HN 0.482 nan 8.150 nan 0.000 0.445 490 R N -0.021 120.474 120.500 -0.009 0.000 2.120 490 R HA -0.114 4.216 4.340 -0.017 0.000 0.234 490 R C 1.521 177.797 176.300 -0.041 0.000 1.123 490 R CA 1.892 57.979 56.100 -0.022 0.000 0.975 490 R CB -0.291 30.001 30.300 -0.014 0.000 0.866 490 R HN 0.585 nan 8.270 nan 0.000 0.446 491 T N -3.506 111.021 114.554 -0.045 0.000 3.186 491 T HA 0.254 4.594 4.350 -0.017 0.000 0.257 491 T C 0.882 175.535 174.700 -0.077 0.000 1.029 491 T CA 0.124 62.189 62.100 -0.060 0.000 0.916 491 T CB 0.806 69.642 68.868 -0.054 0.000 1.041 491 T HN 0.346 nan 8.240 nan 0.000 0.562 492 G N 2.439 111.197 108.800 -0.070 0.000 2.321 492 G HA2 -0.352 3.598 3.960 -0.017 0.000 0.287 492 G HA3 -0.352 3.598 3.960 -0.017 0.000 0.287 492 G C 0.074 174.895 174.900 -0.131 0.000 1.018 492 G CA 0.217 45.274 45.100 -0.072 0.000 0.855 492 G HN 0.896 nan 8.290 nan 0.000 0.507 493 R N 0.629 121.015 120.500 -0.190 0.000 2.502 493 R HA 0.397 4.726 4.340 -0.017 0.000 0.292 493 R C 0.892 176.830 176.300 -0.603 0.000 0.998 493 R CA 1.098 56.966 56.100 -0.387 0.000 1.056 493 R CB 0.170 30.232 30.300 -0.396 0.000 0.939 493 R HN 0.486 nan 8.270 nan 0.000 0.411 494 T N 0.779 114.892 114.554 -0.736 0.000 2.838 494 T HA 0.542 4.881 4.350 -0.017 0.000 0.292 494 T C -1.032 173.137 174.700 -0.884 0.000 1.113 494 T CA -0.963 60.703 62.100 -0.723 0.000 1.008 494 T CB 1.269 69.891 68.868 -0.410 0.000 1.259 494 T HN 0.560 nan 8.240 nan 0.000 0.520 495 W N 0.521 121.771 121.300 -0.084 0.000 2.839 495 W HA 0.612 5.262 4.660 -0.017 0.000 0.334 495 W C -1.208 175.290 176.519 -0.034 0.000 1.064 495 W CA -1.142 56.179 57.345 -0.039 0.000 1.236 495 W CB 1.717 31.164 29.460 -0.022 0.000 1.405 495 W HN 0.587 nan 8.180 nan 0.000 0.478 496 I N 4.012 124.681 120.570 0.164 0.000 2.404 496 I HA 0.315 4.475 4.170 -0.017 0.000 0.293 496 I C -0.382 175.826 176.117 0.151 0.000 0.992 496 I CA -0.948 60.425 61.300 0.122 0.000 1.149 496 I CB 1.466 39.506 38.000 0.066 0.000 1.315 496 I HN 0.074 nan 8.210 nan 0.000 0.446 497 I N 5.933 126.596 120.570 0.154 0.000 2.330 497 I HA 0.307 4.467 4.170 -0.017 0.000 0.289 497 I C 0.254 176.455 176.117 0.140 0.000 1.001 497 I CA 0.231 61.614 61.300 0.138 0.000 1.193 497 I CB 1.270 39.342 38.000 0.119 0.000 1.345 497 I HN 0.565 nan 8.210 nan 0.000 0.461 498 S N 3.875 119.647 115.700 0.119 0.000 2.715 498 S HA 0.602 5.062 4.470 -0.017 0.000 0.307 498 S C -0.578 174.080 174.600 0.096 0.000 1.119 498 S CA -0.913 57.357 58.200 0.116 0.000 0.937 498 S CB 1.884 65.139 63.200 0.092 0.000 1.150 498 S HN 0.510 nan 8.310 nan 0.000 0.521 499 N N 1.791 120.541 118.700 0.084 0.000 2.564 499 N HA 0.363 5.092 4.740 -0.017 0.000 0.248 499 N C -2.029 173.504 175.510 0.038 0.000 0.986 499 N CA -2.369 50.716 53.050 0.058 0.000 0.921 499 N CB 1.436 39.951 38.487 0.047 0.000 1.136 499 N HN 0.349 nan 8.380 nan 0.000 0.509 500 P HA -0.076 nan 4.420 nan 0.000 0.229 500 P C 0.124 177.434 177.300 0.017 0.000 1.150 500 P CA 1.141 64.258 63.100 0.029 0.000 0.765 500 P CB 0.573 32.295 31.700 0.036 0.000 0.783 501 E N -1.080 119.128 120.200 0.013 0.000 2.489 501 E HA 0.109 4.448 4.350 -0.017 0.000 0.204 501 E C 0.311 176.903 176.600 -0.014 0.000 1.006 501 E CA -0.035 56.367 56.400 0.004 0.000 0.936 501 E CB 0.465 30.171 29.700 0.010 0.000 1.002 501 E HN 0.008 nan 8.360 nan 0.000 0.488 502 S N 1.192 116.878 115.700 -0.023 0.000 2.474 502 S HA 0.320 4.780 4.470 -0.017 0.000 0.321 502 S C -0.817 173.743 174.600 -0.067 0.000 1.080 502 S CA -0.632 57.534 58.200 -0.056 0.000 1.106 502 S CB 0.443 63.596 63.200 -0.080 0.000 0.984 502 S HN -0.038 nan 8.310 nan 0.000 0.464 503 K N 3.069 123.427 120.400 -0.070 0.000 2.203 503 K HA 0.404 4.714 4.320 -0.017 0.000 0.251 503 K C -0.097 176.448 176.600 -0.091 0.000 0.944 503 K CA -1.031 55.216 56.287 -0.067 0.000 0.829 503 K CB 1.033 33.509 32.500 -0.041 0.000 1.125 503 K HN 0.749 nan 8.250 nan 0.000 0.430 504 N N 0.673 119.321 118.700 -0.087 0.000 2.322 504 N HA 0.009 4.738 4.740 -0.017 0.000 0.270 504 N C 0.716 176.192 175.510 -0.057 0.000 1.286 504 N CA -0.408 52.587 53.050 -0.091 0.000 0.948 504 N CB 0.274 38.715 38.487 -0.077 0.000 1.164 504 N HN 0.574 nan 8.380 nan 0.000 0.551 505 R N -0.745 119.728 120.500 -0.044 0.000 2.293 505 R HA 0.004 4.334 4.340 -0.017 0.000 0.219 505 R C 0.479 176.765 176.300 -0.023 0.000 1.091 505 R CA 1.102 57.184 56.100 -0.030 0.000 1.004 505 R CB -0.756 29.531 30.300 -0.022 0.000 0.865 505 R HN 0.567 nan 8.270 nan 0.000 0.469 506 L N 1.161 122.371 121.223 -0.022 0.000 2.685 506 L HA 0.164 4.494 4.340 -0.017 0.000 0.233 506 L C 0.254 177.113 176.870 -0.017 0.000 1.173 506 L CA -0.207 54.623 54.840 -0.017 0.000 0.961 506 L CB -0.603 41.448 42.059 -0.014 0.000 1.217 506 L HN 0.393 nan 8.230 nan 0.000 0.478 507 N N 1.771 120.458 118.700 -0.021 0.000 2.735 507 N HA -0.162 4.568 4.740 -0.017 0.000 0.248 507 N C -0.465 175.036 175.510 -0.016 0.000 1.083 507 N CA 0.416 53.454 53.050 -0.019 0.000 0.703 507 N CB -0.026 38.452 38.487 -0.014 0.000 1.005 507 N HN 0.421 nan 8.380 nan 0.000 0.550 508 E N 0.217 120.406 120.200 -0.019 0.000 2.222 508 E HA 0.393 4.733 4.350 -0.017 0.000 0.267 508 E C -2.541 174.050 176.600 -0.015 0.000 0.884 508 E CA -1.720 54.673 56.400 -0.011 0.000 0.764 508 E CB 1.675 31.371 29.700 -0.007 0.000 1.169 508 E HN 0.114 nan 8.360 nan 0.000 0.413 509 P HA -0.068 nan 4.420 nan 0.000 0.263 509 P C 0.066 177.372 177.300 0.010 0.000 1.195 509 P CA -0.012 63.090 63.100 0.002 0.000 0.762 509 P CB 0.302 32.015 31.700 0.022 0.000 0.799 510 V N 2.232 122.137 119.914 -0.014 0.000 2.999 510 V HA 0.634 4.743 4.120 -0.017 0.000 0.307 510 V C 0.624 176.813 176.094 0.159 0.000 1.084 510 V CA 0.414 62.721 62.300 0.011 0.000 1.155 510 V CB 0.096 31.817 31.823 -0.171 0.000 0.975 510 V HN 0.723 nan 8.190 nan 0.000 0.490 511 G N 2.081 111.034 108.800 0.255 0.000 2.645 511 G HA2 0.618 4.567 3.960 -0.017 0.000 0.292 511 G HA3 0.618 4.567 3.960 -0.017 0.000 0.292 511 G C -2.279 172.770 174.900 0.249 0.000 1.415 511 G CA -0.759 44.494 45.100 0.254 0.000 0.785 511 G HN 0.782 nan 8.290 nan 0.000 0.483 512 Y N -0.130 120.193 120.300 0.038 0.000 2.433 512 Y HA 0.566 5.106 4.550 -0.016 0.000 0.337 512 Y C 0.036 175.958 175.900 0.038 0.000 1.026 512 Y CA -0.783 57.322 58.100 0.009 0.000 1.037 512 Y CB 2.755 41.188 38.460 -0.044 0.000 1.245 512 Y HN 0.504 nan 8.280 nan 0.000 0.443 513 K N 3.965 124.424 120.400 0.100 0.000 2.213 513 K HA 0.518 4.828 4.320 -0.017 0.000 0.270 513 K C -1.515 175.086 176.600 0.003 0.000 1.002 513 K CA -0.840 55.450 56.287 0.005 0.000 0.868 513 K CB 0.894 33.329 32.500 -0.109 0.000 1.093 513 K HN 0.616 nan 8.250 nan 0.000 0.454 514 L N 5.203 126.435 121.223 0.014 0.000 2.265 514 L HA 0.268 4.598 4.340 -0.017 0.000 0.288 514 L C -1.313 175.526 176.870 -0.051 0.000 1.058 514 L CA 0.076 54.967 54.840 0.083 0.000 0.809 514 L CB 0.419 42.570 42.059 0.154 0.000 1.179 514 L HN 0.650 nan 8.230 nan 0.000 0.429 515 H N 4.517 123.696 119.070 0.181 0.000 2.581 515 H HA 0.698 5.243 4.556 -0.017 0.000 0.308 515 H C -0.008 175.448 175.328 0.213 0.000 1.040 515 H CA -0.028 56.118 56.048 0.163 0.000 1.231 515 H CB 1.242 31.090 29.762 0.143 0.000 1.396 515 H HN 0.878 nan 8.280 nan 0.000 0.467 516 A N 2.211 125.218 122.820 0.312 0.000 2.264 516 A HA 0.212 4.522 4.320 -0.017 0.000 0.304 516 A C 0.347 178.216 177.584 0.475 0.000 1.100 516 A CA -0.573 51.683 52.037 0.364 0.000 0.839 516 A CB 0.504 19.763 19.000 0.431 0.000 1.121 516 A HN 1.014 nan 8.150 nan 0.000 0.496 517 H N 0.663 119.913 119.070 0.300 0.000 2.548 517 H HA 0.013 4.558 4.556 -0.017 0.000 0.265 517 H C -0.058 175.388 175.328 0.197 0.000 0.969 517 H CA 0.201 56.377 56.048 0.213 0.000 1.155 517 H CB 0.164 30.044 29.762 0.197 0.000 1.394 517 H HN 0.758 nan 8.280 nan 0.000 0.570 518 N N 1.778 120.696 118.700 0.364 0.000 2.714 518 N HA -0.184 4.545 4.740 -0.017 0.000 0.250 518 N C -0.426 175.212 175.510 0.214 0.000 1.117 518 N CA 0.624 53.836 53.050 0.270 0.000 0.719 518 N CB -0.903 37.704 38.487 0.199 0.000 1.081 518 N HN 0.567 nan 8.380 nan 0.000 0.557 519 Q N 0.063 120.005 119.800 0.236 0.000 2.492 519 Q HA 0.234 4.563 4.340 -0.017 0.000 0.238 519 Q C -1.882 174.197 176.000 0.132 0.000 1.045 519 Q CA -0.754 55.154 55.803 0.174 0.000 0.934 519 Q CB 0.084 28.936 28.738 0.191 0.000 1.276 519 Q HN 0.140 nan 8.270 nan 0.000 0.521 520 P HA 0.003 nan 4.420 nan 0.000 0.269 520 P C -0.223 177.095 177.300 0.031 0.000 1.209 520 P CA 0.123 63.258 63.100 0.058 0.000 0.776 520 P CB 0.530 32.255 31.700 0.042 0.000 0.876 521 T N 0.108 114.675 114.554 0.021 0.000 2.924 521 T HA 0.310 4.650 4.350 -0.017 0.000 0.301 521 T C 0.319 174.982 174.700 -0.063 0.000 1.120 521 T CA -0.840 61.251 62.100 -0.015 0.000 0.940 521 T CB -0.033 68.839 68.868 0.008 0.000 1.591 521 T HN 0.177 nan 8.240 nan 0.000 0.578 522 L N 0.981 122.142 121.223 -0.103 0.000 2.601 522 L HA 0.156 4.486 4.340 -0.017 0.000 0.277 522 L C 0.829 177.656 176.870 -0.072 0.000 1.219 522 L CA 0.281 55.046 54.840 -0.126 0.000 0.915 522 L CB -0.369 41.591 42.059 -0.166 0.000 1.160 522 L HN 0.633 nan 8.230 nan 0.000 0.494 523 L N 4.879 126.061 121.223 -0.069 0.000 2.416 523 L HA 0.235 4.565 4.340 -0.017 0.000 0.216 523 L C 1.347 178.210 176.870 -0.011 0.000 1.098 523 L CA 0.201 55.024 54.840 -0.029 0.000 0.840 523 L CB -0.453 41.592 42.059 -0.023 0.000 0.981 523 L HN 0.826 nan 8.230 nan 0.000 0.462 524 A N 0.590 123.397 122.820 -0.022 0.000 2.507 524 A HA -0.075 4.235 4.320 -0.017 0.000 0.235 524 A C 0.261 177.851 177.584 0.009 0.000 1.070 524 A CA -0.148 51.891 52.037 0.002 0.000 0.768 524 A CB -0.037 18.964 19.000 0.003 0.000 1.011 524 A HN 0.263 nan 8.150 nan 0.000 0.502 525 D N 1.977 122.392 120.400 0.024 0.000 2.506 525 D HA -0.004 4.625 4.640 -0.017 0.000 0.234 525 D C -1.169 175.141 176.300 0.016 0.000 1.143 525 D CA -0.688 53.326 54.000 0.023 0.000 0.871 525 D CB 0.841 41.660 40.800 0.032 0.000 1.190 525 D HN 0.295 nan 8.370 nan 0.000 0.459 526 P HA -0.051 nan 4.420 nan 0.000 0.225 526 P C 0.921 178.225 177.300 0.007 0.000 1.148 526 P CA 0.667 63.771 63.100 0.007 0.000 0.779 526 P CB 0.151 31.855 31.700 0.007 0.000 0.780 527 G N -0.035 108.772 108.800 0.012 0.000 3.284 527 G HA2 0.080 4.030 3.960 -0.017 0.000 0.236 527 G HA3 0.080 4.030 3.960 -0.017 0.000 0.236 527 G C 0.554 175.465 174.900 0.017 0.000 1.158 527 G CA 0.061 45.167 45.100 0.010 0.000 0.774 527 G HN 0.422 nan 8.290 nan 0.000 0.545 528 S N -0.872 114.844 115.700 0.027 0.000 2.632 528 S HA 0.386 4.846 4.470 -0.017 0.000 0.267 528 S C 1.574 176.190 174.600 0.027 0.000 1.276 528 S CA 0.426 58.657 58.200 0.051 0.000 0.998 528 S CB 1.725 64.968 63.200 0.072 0.000 0.953 528 S HN 0.069 nan 8.310 nan 0.000 0.547 529 S N 0.479 116.201 115.700 0.037 0.000 2.368 529 S HA -0.146 4.314 4.470 -0.017 0.000 0.225 529 S C 1.674 176.262 174.600 -0.021 0.000 1.030 529 S CA 1.268 59.423 58.200 -0.075 0.000 0.999 529 S CB -0.817 62.199 63.200 -0.307 0.000 0.844 529 S HN 0.707 nan 8.310 nan 0.000 0.459 530 I N 1.857 122.470 120.570 0.072 0.000 2.394 530 I HA 0.077 4.237 4.170 -0.017 0.000 0.251 530 I C 2.292 178.431 176.117 0.037 0.000 1.136 530 I CA 1.169 62.528 61.300 0.098 0.000 1.425 530 I CB -0.853 37.210 38.000 0.105 0.000 1.079 530 I HN 0.332 nan 8.210 nan 0.000 0.425 531 A N 0.365 123.190 122.820 0.009 0.000 1.930 531 A HA -0.154 4.156 4.320 -0.017 0.000 0.217 531 A C 2.436 180.010 177.584 -0.018 0.000 1.175 531 A CA 1.422 53.448 52.037 -0.018 0.000 0.627 531 A CB -0.514 18.481 19.000 -0.009 0.000 0.815 531 A HN 0.444 nan 8.150 nan 0.000 0.443 532 R N -0.871 119.616 120.500 -0.021 0.000 2.093 532 R HA 0.042 4.372 4.340 -0.017 0.000 0.224 532 R C 2.287 178.554 176.300 -0.055 0.000 1.101 532 R CA 1.091 57.163 56.100 -0.046 0.000 0.979 532 R CB -0.188 30.069 30.300 -0.071 0.000 0.877 532 R HN 0.443 nan 8.270 nan 0.000 0.441 533 R N 0.212 120.701 120.500 -0.019 0.000 2.153 533 R HA 0.093 4.423 4.340 -0.017 0.000 0.218 533 R C 0.907 177.319 176.300 0.186 0.000 1.072 533 R CA 1.008 57.113 56.100 0.007 0.000 0.990 533 R CB 0.296 30.615 30.300 0.032 0.000 0.889 533 R HN 0.042 nan 8.270 nan 0.000 0.452 534 A N 0.269 123.201 122.820 0.188 0.000 3.041 534 A HA 0.490 4.799 4.320 -0.017 0.000 0.307 534 A C 1.144 178.609 177.584 -0.199 0.000 1.116 534 A CA -0.098 51.986 52.037 0.079 0.000 1.001 534 A CB 0.274 19.206 19.000 -0.113 0.000 1.112 534 A HN 0.244 nan 8.150 nan 0.000 0.556 535 A N 0.290 123.081 122.820 -0.047 0.000 1.978 535 A HA -0.046 4.264 4.320 -0.017 0.000 0.220 535 A C 1.785 179.381 177.584 0.020 0.000 1.170 535 A CA 1.766 53.790 52.037 -0.023 0.000 0.636 535 A CB -0.933 18.062 19.000 -0.008 0.000 0.810 535 A HN 1.333 nan 8.150 nan 0.000 0.448 536 F N -0.273 119.579 119.950 -0.163 0.000 2.202 536 F HA 0.033 4.549 4.527 -0.017 0.000 0.301 536 F C 2.002 177.896 175.800 0.157 0.000 1.082 536 F CA 0.862 58.703 58.000 -0.265 0.000 1.313 536 F CB -0.827 37.905 39.000 -0.446 0.000 1.024 536 F HN 0.142 nan 8.300 nan 0.000 0.495 537 A N 0.476 122.753 122.820 -0.904 0.000 2.235 537 A HA 0.007 4.317 4.320 -0.017 0.000 0.208 537 A C 2.078 179.546 177.584 -0.193 0.000 1.172 537 A CA 1.232 52.888 52.037 -0.635 0.000 0.786 537 A CB -1.462 16.977 19.000 -0.936 0.000 0.804 537 A HN 0.584 nan 8.150 nan 0.000 0.479 538 T N -3.726 110.808 114.554 -0.034 0.000 3.081 538 T HA 0.195 4.535 4.350 -0.017 0.000 0.255 538 T C 0.659 175.381 174.700 0.036 0.000 1.113 538 T CA 0.227 62.335 62.100 0.012 0.000 1.082 538 T CB 0.144 69.031 68.868 0.032 0.000 0.939 538 T HN 0.085 nan 8.240 nan 0.000 0.506 539 K N 1.036 121.499 120.400 0.106 0.000 2.435 539 K HA 0.433 4.743 4.320 -0.017 0.000 0.251 539 K C -0.390 176.238 176.600 0.046 0.000 0.954 539 K CA -0.538 55.707 56.287 -0.071 0.000 0.820 539 K CB 2.061 34.242 32.500 -0.530 0.000 1.292 539 K HN -0.035 nan 8.250 nan 0.000 0.436 540 D N 0.190 120.588 120.400 -0.003 0.000 2.194 540 D HA 0.007 4.637 4.640 -0.017 0.000 0.204 540 D C -0.023 176.312 176.300 0.058 0.000 0.964 540 D CA 0.691 54.749 54.000 0.097 0.000 0.846 540 D CB 0.323 41.237 40.800 0.190 0.000 0.962 540 D HN 0.101 nan 8.370 nan 0.000 0.490 541 L N -0.324 120.761 121.223 -0.229 0.000 2.431 541 L HA 0.490 4.820 4.340 -0.017 0.000 0.266 541 L C -1.991 174.738 176.870 -0.236 0.000 0.978 541 L CA -0.600 54.065 54.840 -0.291 0.000 0.822 541 L CB 1.600 43.025 42.059 -1.057 0.000 1.310 541 L HN -0.114 nan 8.230 nan 0.000 0.409 542 W N 3.999 125.289 121.300 -0.017 0.000 3.022 542 W HA 0.753 5.403 4.660 -0.017 0.000 0.335 542 W C -1.301 175.339 176.519 0.201 0.000 1.133 542 W CA -0.785 56.595 57.345 0.058 0.000 1.219 542 W CB 2.018 31.492 29.460 0.023 0.000 1.409 542 W HN 0.165 nan 8.180 nan 0.000 0.507 543 V N 2.478 122.624 119.914 0.387 0.000 2.588 543 V HA 0.777 4.887 4.120 -0.017 0.000 0.304 543 V C -0.095 176.211 176.094 0.352 0.000 1.042 543 V CA -0.820 61.686 62.300 0.343 0.000 0.877 543 V CB 1.465 33.397 31.823 0.181 0.000 0.996 543 V HN 0.595 nan 8.190 nan 0.000 0.425 544 T N 1.339 116.141 114.554 0.414 0.000 2.907 544 T HA 0.760 5.099 4.350 -0.017 0.000 0.290 544 T C -0.510 174.330 174.700 0.233 0.000 1.066 544 T CA -0.978 61.319 62.100 0.327 0.000 1.012 544 T CB 2.150 71.271 68.868 0.422 0.000 1.184 544 T HN 0.546 nan 8.240 nan 0.000 0.522 545 R N 0.596 121.190 120.500 0.157 0.000 2.390 545 R HA 0.369 4.699 4.340 -0.017 0.000 0.291 545 R C -0.871 175.487 176.300 0.096 0.000 1.070 545 R CA -0.842 55.329 56.100 0.118 0.000 1.014 545 R CB -0.372 29.974 30.300 0.076 0.000 1.007 545 R HN 0.768 nan 8.270 nan 0.000 0.466 546 Y N 3.066 123.362 120.300 -0.006 0.000 2.597 546 Y HA 0.320 4.860 4.550 -0.017 0.000 0.336 546 Y C -0.772 175.078 175.900 -0.085 0.000 1.216 546 Y CA 0.811 58.877 58.100 -0.057 0.000 1.463 546 Y CB 0.510 38.906 38.460 -0.107 0.000 1.303 546 Y HN 0.739 nan 8.280 nan 0.000 0.576 547 A N 4.508 126.633 122.820 -1.157 0.000 2.488 547 A HA 0.305 4.615 4.320 -0.017 0.000 0.295 547 A C -0.062 176.875 177.584 -1.077 0.000 1.045 547 A CA -0.347 51.158 52.037 -0.888 0.000 0.703 547 A CB 0.607 19.318 19.000 -0.482 0.000 1.271 547 A HN 0.829 nan 8.150 nan 0.000 0.400 548 D N 1.239 121.202 120.400 -0.728 0.000 2.351 548 D HA -0.143 4.487 4.640 -0.017 0.000 0.216 548 D C 0.650 176.776 176.300 -0.290 0.000 0.968 548 D CA 1.437 55.198 54.000 -0.398 0.000 0.899 548 D CB 0.157 40.886 40.800 -0.117 0.000 0.907 548 D HN 0.545 nan 8.370 nan 0.000 0.514 549 D N 0.055 120.269 120.400 -0.311 0.000 2.369 549 D HA -0.055 4.575 4.640 -0.017 0.000 0.211 549 D C -0.192 175.917 176.300 -0.318 0.000 1.077 549 D CA -0.129 53.730 54.000 -0.236 0.000 0.842 549 D CB -0.403 40.298 40.800 -0.165 0.000 0.947 549 D HN 0.247 nan 8.370 nan 0.000 0.509 550 E N 0.871 120.792 120.200 -0.464 0.000 2.167 550 E HA 0.331 4.671 4.350 -0.017 0.000 0.247 550 E C 0.442 176.893 176.600 -0.248 0.000 0.961 550 E CA -0.260 55.763 56.400 -0.628 0.000 0.797 550 E CB 1.318 30.429 29.700 -0.981 0.000 1.182 550 E HN 0.096 nan 8.360 nan 0.000 0.437 551 R N 1.228 121.585 120.500 -0.238 0.000 2.191 551 R HA 0.127 4.457 4.340 -0.017 0.000 0.196 551 R C -0.114 175.903 176.300 -0.472 0.000 0.991 551 R CA 0.601 56.408 56.100 -0.488 0.000 1.075 551 R CB 0.563 30.265 30.300 -0.997 0.000 1.040 551 R HN 0.314 nan 8.270 nan 0.000 0.526 552 Y N -0.102 120.335 120.300 0.227 0.000 2.499 552 Y HA 0.303 4.843 4.550 -0.017 0.000 0.347 552 Y C -1.805 174.077 175.900 -0.030 0.000 0.987 552 Y CA -3.032 55.148 58.100 0.134 0.000 1.044 552 Y CB 1.300 39.733 38.460 -0.045 0.000 1.245 552 Y HN -0.162 nan 8.280 nan 0.000 0.461 553 P HA -0.093 nan 4.420 nan 0.000 0.226 553 P C 0.699 177.727 177.300 -0.453 0.000 1.153 553 P CA 1.491 64.227 63.100 -0.606 0.000 0.777 553 P CB 0.154 31.393 31.700 -0.768 0.000 0.794 554 T N -4.643 109.768 114.554 -0.238 0.000 3.054 554 T HA 0.495 4.835 4.350 -0.017 0.000 0.255 554 T C 0.940 175.578 174.700 -0.104 0.000 1.035 554 T CA 0.116 62.133 62.100 -0.139 0.000 0.941 554 T CB -0.179 68.641 68.868 -0.080 0.000 1.026 554 T HN 0.340 nan 8.240 nan 0.000 0.533 555 G N 1.430 110.204 108.800 -0.043 0.000 2.757 555 G HA2 -0.168 3.781 3.960 -0.017 0.000 0.638 555 G HA3 -0.168 3.781 3.960 -0.017 0.000 0.638 555 G C -0.196 174.698 174.900 -0.010 0.000 1.344 555 G CA -0.153 44.959 45.100 0.021 0.000 0.855 555 G HN 0.154 nan 8.290 nan 0.000 0.537 556 D N -0.562 119.728 120.400 -0.183 0.000 2.178 556 D HA 0.077 4.707 4.640 -0.017 0.000 0.202 556 D C 0.865 176.613 176.300 -0.919 0.000 0.974 556 D CA 1.524 55.183 54.000 -0.569 0.000 0.841 556 D CB -0.068 40.121 40.800 -1.018 0.000 0.953 556 D HN 0.250 nan 8.370 nan 0.000 0.478 557 F N -0.196 119.648 119.950 -0.177 0.000 2.532 557 F HA 0.238 4.755 4.527 -0.017 0.000 0.365 557 F C 0.974 176.661 175.800 -0.188 0.000 1.112 557 F CA -0.686 57.173 58.000 -0.236 0.000 1.082 557 F CB 1.431 40.211 39.000 -0.366 0.000 1.319 557 F HN -0.370 nan 8.300 nan 0.000 0.457 558 V N 0.138 120.019 119.914 -0.055 0.000 2.599 558 V HA -0.091 4.019 4.120 -0.017 0.000 0.245 558 V C 1.120 177.137 176.094 -0.128 0.000 1.046 558 V CA 0.419 62.625 62.300 -0.157 0.000 1.065 558 V CB -0.461 31.158 31.823 -0.339 0.000 0.703 558 V HN 0.671 nan 8.190 nan 0.000 0.464 559 N N 1.687 120.353 118.700 -0.057 0.000 2.374 559 N HA -0.072 4.658 4.740 -0.017 0.000 0.269 559 N C 0.504 175.995 175.510 -0.032 0.000 1.310 559 N CA 0.735 53.759 53.050 -0.044 0.000 0.877 559 N CB -0.313 38.148 38.487 -0.044 0.000 1.096 559 N HN 0.466 nan 8.380 nan 0.000 0.484 560 Q N 0.000 119.779 119.800 -0.036 0.000 2.457 560 Q HA -0.309 4.020 4.340 -0.017 0.000 0.283 560 Q C -0.974 175.024 176.000 -0.003 0.000 1.234 560 Q CA 0.889 56.671 55.803 -0.035 0.000 0.877 560 Q CB -1.649 27.064 28.738 -0.042 0.000 1.250 560 Q HN 0.693 nan 8.270 nan 0.000 0.481 561 H N -0.137 118.851 119.070 -0.138 0.000 2.457 561 H HA 0.526 5.072 4.556 -0.017 0.000 0.335 561 H C 0.214 175.454 175.328 -0.148 0.000 1.115 561 H CA -0.053 55.917 56.048 -0.130 0.000 1.219 561 H CB 0.981 30.675 29.762 -0.112 0.000 1.471 561 H HN 0.218 nan 8.280 nan 0.000 0.491 562 S N 2.535 117.883 115.700 -0.586 0.000 2.598 562 S HA 0.491 4.950 4.470 -0.017 0.000 0.267 562 S C 0.851 175.049 174.600 -0.670 0.000 1.189 562 S CA -0.375 57.526 58.200 -0.498 0.000 1.010 562 S CB 0.342 63.352 63.200 -0.316 0.000 1.084 562 S HN 0.816 nan 8.310 nan 0.000 0.541 563 G N -1.967 106.606 108.800 -0.379 0.000 2.572 563 G HA2 0.504 4.454 3.960 -0.017 0.000 0.261 563 G HA3 0.504 4.454 3.960 -0.017 0.000 0.261 563 G C 0.741 175.487 174.900 -0.256 0.000 1.197 563 G CA -0.317 44.608 45.100 -0.291 0.000 0.870 563 G HN 1.784 nan 8.290 nan 0.000 0.548 564 G N -1.343 107.358 108.800 -0.166 0.000 3.033 564 G HA2 0.357 4.307 3.960 -0.017 0.000 0.208 564 G HA3 0.357 4.307 3.960 -0.017 0.000 0.208 564 G C 0.430 175.309 174.900 -0.034 0.000 1.006 564 G CA 0.655 45.711 45.100 -0.074 0.000 0.808 564 G HN 1.594 nan 8.290 nan 0.000 0.499 565 A N -0.178 122.630 122.820 -0.019 0.000 2.624 565 A HA 1.043 5.352 4.320 -0.017 0.000 0.267 565 A C 1.459 178.861 177.584 -0.303 0.000 1.282 565 A CA 0.922 52.928 52.037 -0.051 0.000 0.934 565 A CB 0.389 19.459 19.000 0.117 0.000 1.510 565 A HN 2.268 nan 8.150 nan 0.000 0.477 566 G N -1.886 106.598 108.800 -0.527 0.000 2.698 566 G HA2 -0.149 3.800 3.960 -0.017 0.000 0.233 566 G HA3 -0.149 3.800 3.960 -0.017 0.000 0.233 566 G C 0.700 174.688 174.900 -1.520 0.000 1.352 566 G CA 0.127 44.653 45.100 -0.956 0.000 0.879 566 G HN 1.201 nan 8.290 nan 0.000 0.567 567 L N 0.939 121.414 121.223 -1.247 0.000 2.051 567 L HA -0.114 4.216 4.340 -0.017 0.000 0.214 567 L C 0.250 176.743 176.870 -0.628 0.000 1.076 567 L CA 2.586 56.771 54.840 -1.092 0.000 0.758 567 L CB -1.159 40.024 42.059 -1.459 0.000 0.890 567 L HN 0.448 nan 8.230 nan 0.000 0.433 568 P HA -0.141 nan 4.420 nan 0.000 0.220 568 P C 1.667 178.894 177.300 -0.122 0.000 1.148 568 P CA 1.641 64.656 63.100 -0.141 0.000 0.803 568 P CB 0.022 31.664 31.700 -0.096 0.000 0.782 569 S N -2.728 112.830 115.700 -0.235 0.000 2.439 569 S HA -0.091 4.369 4.470 -0.017 0.000 0.224 569 S C 1.805 176.423 174.600 0.030 0.000 1.029 569 S CA 0.428 58.568 58.200 -0.101 0.000 0.946 569 S CB -1.370 61.770 63.200 -0.101 0.000 0.797 569 S HN -0.019 nan 8.310 nan 0.000 0.504 570 Y N 2.272 122.508 120.300 -0.107 0.000 2.145 570 Y HA 0.112 4.652 4.550 -0.017 0.000 0.286 570 Y C 2.521 178.401 175.900 -0.035 0.000 1.145 570 Y CA -0.450 57.595 58.100 -0.092 0.000 1.148 570 Y CB -1.055 37.308 38.460 -0.162 0.000 0.981 570 Y HN 0.205 nan 8.280 nan 0.000 0.507 571 I N 0.118 120.772 120.570 0.140 0.000 2.264 571 I HA -0.288 3.872 4.170 -0.017 0.000 0.248 571 I C 2.487 178.666 176.117 0.103 0.000 1.111 571 I CA 1.474 62.857 61.300 0.139 0.000 1.382 571 I CB -1.549 36.570 38.000 0.197 0.000 1.060 571 I HN 0.146 nan 8.210 nan 0.000 0.418 572 A N 0.244 123.111 122.820 0.078 0.000 2.032 572 A HA -0.248 4.061 4.320 -0.017 0.000 0.221 572 A C 2.129 179.745 177.584 0.054 0.000 1.165 572 A CA 1.381 53.452 52.037 0.057 0.000 0.645 572 A CB -0.650 18.374 19.000 0.040 0.000 0.807 572 A HN 0.571 nan 8.150 nan 0.000 0.453 573 Q N -1.400 118.437 119.800 0.062 0.000 2.364 573 Q HA -0.129 4.200 4.340 -0.017 0.000 0.209 573 Q C 0.199 176.228 176.000 0.047 0.000 0.977 573 Q CA 0.569 56.402 55.803 0.049 0.000 0.885 573 Q CB -0.155 28.610 28.738 0.046 0.000 0.941 573 Q HN 0.617 nan 8.270 nan 0.000 0.464 574 D N 0.650 121.085 120.400 0.058 0.000 2.701 574 D HA -0.172 4.458 4.640 -0.017 0.000 0.235 574 D C -0.853 175.478 176.300 0.051 0.000 1.155 574 D CA 0.639 54.672 54.000 0.055 0.000 0.649 574 D CB -0.552 40.274 40.800 0.044 0.000 1.050 574 D HN 0.239 nan 8.370 nan 0.000 0.425 575 R N 0.278 120.812 120.500 0.057 0.000 2.637 575 R HA 0.305 4.635 4.340 -0.017 0.000 0.269 575 R C 0.266 176.601 176.300 0.059 0.000 1.089 575 R CA -0.564 55.567 56.100 0.051 0.000 1.177 575 R CB 0.388 30.717 30.300 0.049 0.000 1.091 575 R HN 0.130 nan 8.270 nan 0.000 0.540 576 D N 1.869 122.301 120.400 0.053 0.000 2.371 576 D HA 0.034 4.664 4.640 -0.017 0.000 0.256 576 D C 0.500 176.840 176.300 0.067 0.000 1.193 576 D CA -0.041 53.993 54.000 0.055 0.000 0.881 576 D CB 0.558 41.386 40.800 0.047 0.000 1.143 576 D HN 0.542 nan 8.370 nan 0.000 0.473 577 I N -0.088 120.527 120.570 0.075 0.000 4.147 577 I HA 0.324 4.484 4.170 -0.017 0.000 0.329 577 I C 0.283 176.450 176.117 0.082 0.000 1.424 577 I CA -0.491 60.861 61.300 0.087 0.000 1.127 577 I CB 0.465 38.527 38.000 0.103 0.000 1.128 577 I HN 0.071 nan 8.210 nan 0.000 0.417 578 D N 3.160 123.602 120.400 0.070 0.000 2.483 578 D HA 0.313 4.942 4.640 -0.017 0.000 0.220 578 D C 1.117 177.454 176.300 0.062 0.000 1.173 578 D CA 0.642 54.681 54.000 0.065 0.000 0.964 578 D CB 0.270 41.104 40.800 0.056 0.000 1.046 578 D HN 0.572 nan 8.370 nan 0.000 0.517 579 G N 3.061 111.902 108.800 0.068 0.000 2.303 579 G HA2 -0.187 3.763 3.960 -0.017 0.000 0.260 579 G HA3 -0.187 3.763 3.960 -0.017 0.000 0.260 579 G C 0.037 174.980 174.900 0.071 0.000 1.106 579 G CA -0.273 44.867 45.100 0.066 0.000 0.900 579 G HN 0.474 nan 8.290 nan 0.000 0.495 580 Q N -0.766 119.084 119.800 0.083 0.000 3.022 580 Q HA 0.435 4.764 4.340 -0.017 0.000 0.313 580 Q C -0.948 175.117 176.000 0.109 0.000 1.018 580 Q CA -0.868 54.987 55.803 0.086 0.000 0.799 580 Q CB 0.730 29.514 28.738 0.078 0.000 1.498 580 Q HN 0.214 nan 8.270 nan 0.000 0.494 581 D N 1.730 122.188 120.400 0.096 0.000 2.352 581 D HA 0.344 4.974 4.640 -0.017 0.000 0.245 581 D C -0.438 175.937 176.300 0.126 0.000 1.224 581 D CA -0.054 54.001 54.000 0.091 0.000 0.879 581 D CB -0.266 40.496 40.800 -0.063 0.000 1.057 581 D HN 0.422 nan 8.370 nan 0.000 0.491 582 I N -0.002 120.651 120.570 0.137 0.000 3.023 582 I HA 0.704 4.864 4.170 -0.017 0.000 0.312 582 I C -0.959 175.221 176.117 0.104 0.000 1.056 582 I CA -1.032 60.349 61.300 0.134 0.000 1.033 582 I CB 2.229 40.303 38.000 0.123 0.000 1.233 582 I HN -0.088 nan 8.210 nan 0.000 0.462 583 V N 3.550 123.521 119.914 0.095 0.000 2.638 583 V HA 0.419 4.529 4.120 -0.017 0.000 0.306 583 V C -0.273 175.782 176.094 -0.065 0.000 1.052 583 V CA -0.645 61.622 62.300 -0.055 0.000 0.885 583 V CB 1.861 33.602 31.823 -0.137 0.000 0.999 583 V HN 0.577 nan 8.190 nan 0.000 0.424 584 V N 3.660 123.475 119.914 -0.165 0.000 2.427 584 V HA 0.488 4.597 4.120 -0.017 0.000 0.286 584 V C -1.156 174.848 176.094 -0.151 0.000 1.034 584 V CA -0.472 61.803 62.300 -0.042 0.000 0.893 584 V CB 1.680 33.493 31.823 -0.017 0.000 0.982 584 V HN 0.917 nan 8.190 nan 0.000 0.452 585 W N 4.007 125.356 121.300 0.081 0.000 2.362 585 W HA 0.468 5.118 4.660 -0.017 0.000 0.316 585 W C 0.023 176.640 176.519 0.163 0.000 1.024 585 W CA -0.499 56.897 57.345 0.086 0.000 1.270 585 W CB 0.453 29.938 29.460 0.042 0.000 1.273 585 W HN 0.572 nan 8.180 nan 0.000 0.424 586 H N 2.364 121.522 119.070 0.147 0.000 2.504 586 H HA 0.401 4.947 4.556 -0.017 0.000 0.322 586 H C -0.570 174.937 175.328 0.297 0.000 1.055 586 H CA -0.244 55.856 56.048 0.088 0.000 1.231 586 H CB 1.159 30.778 29.762 -0.238 0.000 1.417 586 H HN 0.171 nan 8.280 nan 0.000 0.472 587 T N 7.000 121.540 114.554 -0.023 0.000 2.806 587 T HA 0.312 4.652 4.350 -0.017 0.000 0.290 587 T C -0.886 173.713 174.700 -0.169 0.000 0.966 587 T CA -0.308 61.797 62.100 0.008 0.000 1.060 587 T CB -0.149 68.839 68.868 0.201 0.000 0.927 587 T HN 0.479 nan 8.240 nan 0.000 0.485 588 F N 0.033 119.877 119.950 -0.177 0.000 2.615 588 F HA 0.819 5.336 4.527 -0.017 0.000 0.312 588 F C -0.295 175.598 175.800 0.154 0.000 1.119 588 F CA -1.177 56.791 58.000 -0.053 0.000 0.979 588 F CB 1.000 39.950 39.000 -0.085 0.000 1.266 588 F HN 0.768 nan 8.300 nan 0.000 0.444 589 G N 2.098 110.977 108.800 0.131 0.000 2.649 589 G HA2 0.605 4.555 3.960 -0.017 0.000 0.290 589 G HA3 0.605 4.555 3.960 -0.017 0.000 0.290 589 G C -2.348 172.582 174.900 0.050 0.000 1.426 589 G CA -1.189 43.962 45.100 0.085 0.000 0.794 589 G HN 0.826 nan 8.290 nan 0.000 0.483 590 L N 0.697 121.884 121.223 -0.060 0.000 2.295 590 L HA 0.518 4.848 4.340 -0.017 0.000 0.285 590 L C 0.027 176.682 176.870 -0.358 0.000 1.035 590 L CA -0.560 54.141 54.840 -0.232 0.000 0.806 590 L CB 1.991 43.706 42.059 -0.573 0.000 1.214 590 L HN 0.382 nan 8.230 nan 0.000 0.426 591 T N 1.430 115.847 114.554 -0.227 0.000 2.756 591 T HA 0.335 4.675 4.350 -0.017 0.000 0.290 591 T C -0.531 174.004 174.700 -0.275 0.000 0.985 591 T CA -0.359 61.559 62.100 -0.305 0.000 0.955 591 T CB 0.032 68.790 68.868 -0.184 0.000 0.930 591 T HN 0.416 nan 8.240 nan 0.000 0.451 592 H N 2.397 121.088 119.070 -0.632 0.000 2.551 592 H HA 0.340 4.886 4.556 -0.017 0.000 0.321 592 H C -0.947 173.902 175.328 -0.799 0.000 1.028 592 H CA -0.870 54.806 56.048 -0.621 0.000 1.215 592 H CB 0.838 30.262 29.762 -0.563 0.000 1.414 592 H HN 0.490 nan 8.280 nan 0.000 0.480 593 F N 4.385 124.213 119.950 -0.203 0.000 2.359 593 F HA 0.263 4.780 4.527 -0.017 0.000 0.370 593 F C -2.152 173.627 175.800 -0.034 0.000 1.077 593 F CA -2.496 55.318 58.000 -0.309 0.000 1.136 593 F CB 0.846 39.496 39.000 -0.583 0.000 1.387 593 F HN 0.389 nan 8.300 nan 0.000 0.468 594 P HA 0.017 nan 4.420 nan 0.000 0.263 594 P C -0.338 177.069 177.300 0.179 0.000 1.175 594 P CA 0.329 63.560 63.100 0.220 0.000 0.761 594 P CB 0.571 32.463 31.700 0.319 0.000 0.794 595 R N 1.718 122.288 120.500 0.117 0.000 2.674 595 R HA 0.327 4.657 4.340 -0.017 0.000 0.266 595 R C 1.216 177.577 176.300 0.102 0.000 1.016 595 R CA -0.993 55.159 56.100 0.087 0.000 1.062 595 R CB 0.490 30.821 30.300 0.051 0.000 1.142 595 R HN 0.118 nan 8.270 nan 0.000 0.517 596 V N 0.956 120.916 119.914 0.077 0.000 2.594 596 V HA -0.197 3.912 4.120 -0.017 0.000 0.253 596 V C 1.323 177.497 176.094 0.134 0.000 1.069 596 V CA 1.735 64.095 62.300 0.100 0.000 1.082 596 V CB -0.632 31.226 31.823 0.058 0.000 0.680 596 V HN 0.703 nan 8.190 nan 0.000 0.469 597 E N 0.167 120.419 120.200 0.087 0.000 2.409 597 E HA -0.129 4.211 4.350 -0.017 0.000 0.198 597 E C 1.624 178.267 176.600 0.072 0.000 1.024 597 E CA 0.759 57.199 56.400 0.066 0.000 0.861 597 E CB -0.217 29.502 29.700 0.032 0.000 0.788 597 E HN 0.577 nan 8.360 nan 0.000 0.521 598 D N -0.916 119.552 120.400 0.114 0.000 2.347 598 D HA -0.066 4.564 4.640 -0.017 0.000 0.213 598 D C -0.186 176.236 176.300 0.202 0.000 0.985 598 D CA 0.297 54.372 54.000 0.125 0.000 0.879 598 D CB 0.153 41.038 40.800 0.140 0.000 0.919 598 D HN 0.208 nan 8.370 nan 0.000 0.526 599 W N 2.380 123.692 121.300 0.020 0.000 2.551 599 W HA 0.188 4.837 4.660 -0.017 0.000 0.330 599 W C -1.795 174.747 176.519 0.039 0.000 1.063 599 W CA -1.965 55.399 57.345 0.032 0.000 1.222 599 W CB 2.015 31.496 29.460 0.036 0.000 1.349 599 W HN -0.185 nan 8.180 nan 0.000 0.536 600 P HA 0.032 nan 4.420 nan 0.000 0.224 600 P C 0.222 177.051 177.300 -0.786 0.000 1.157 600 P CA 1.034 63.286 63.100 -1.412 0.000 0.799 600 P CB 1.457 32.672 31.700 -0.808 0.000 0.809 601 I N -0.330 119.984 120.570 -0.428 0.000 2.498 601 I HA 0.317 4.476 4.170 -0.017 0.000 0.290 601 I C -0.428 175.559 176.117 -0.217 0.000 1.032 601 I CA -1.722 59.331 61.300 -0.411 0.000 1.073 601 I CB 2.537 40.059 38.000 -0.795 0.000 1.251 601 I HN -0.255 nan 8.210 nan 0.000 0.426 602 M N 9.446 128.971 119.600 -0.125 0.000 2.217 602 M HA 0.365 4.835 4.480 -0.017 0.000 0.352 602 M C -2.430 173.833 176.300 -0.062 0.000 1.376 602 M CA -1.117 54.160 55.300 -0.037 0.000 1.107 602 M CB 0.642 33.274 32.600 0.053 0.000 1.723 602 M HN 0.270 nan 8.290 nan 0.000 0.461 603 P HA 0.126 nan 4.420 nan 0.000 0.279 603 P C -0.868 176.411 177.300 -0.036 0.000 1.239 603 P CA -0.528 62.542 63.100 -0.050 0.000 0.789 603 P CB 0.690 32.365 31.700 -0.041 0.000 0.933 604 V N 3.300 123.200 119.914 -0.024 0.000 2.681 604 V HA -0.100 4.010 4.120 -0.017 0.000 0.306 604 V C 0.619 176.701 176.094 -0.020 0.000 1.077 604 V CA 1.264 63.559 62.300 -0.008 0.000 1.224 604 V CB -0.400 31.428 31.823 0.009 0.000 0.879 604 V HN 0.601 nan 8.190 nan 0.000 0.494 605 D N 2.700 123.091 120.400 -0.016 0.000 2.481 605 D HA 0.657 5.286 4.640 -0.017 0.000 0.244 605 D C -0.166 176.135 176.300 0.002 0.000 1.057 605 D CA -0.208 53.796 54.000 0.006 0.000 0.848 605 D CB 2.172 42.992 40.800 0.034 0.000 1.388 605 D HN 0.725 nan 8.370 nan 0.000 0.475 606 T N -0.947 113.610 114.554 0.005 0.000 2.930 606 T HA 0.811 5.151 4.350 -0.017 0.000 0.290 606 T C -0.736 173.985 174.700 0.034 0.000 1.052 606 T CA -0.800 61.281 62.100 -0.031 0.000 1.017 606 T CB 1.618 70.449 68.868 -0.062 0.000 1.137 606 T HN 0.232 nan 8.240 nan 0.000 0.511 607 V N -0.570 119.343 119.914 -0.001 0.000 3.242 607 V HA 0.868 4.978 4.120 -0.017 0.000 0.298 607 V C -0.217 175.854 176.094 -0.038 0.000 1.352 607 V CA 0.499 62.879 62.300 0.134 0.000 1.052 607 V CB 1.721 33.670 31.823 0.209 0.000 1.101 607 V HN 1.678 nan 8.190 nan 0.000 0.446 608 G N 2.275 110.906 108.800 -0.281 0.000 2.364 608 G HA2 0.693 4.643 3.960 -0.017 0.000 0.286 608 G HA3 0.693 4.643 3.960 -0.017 0.000 0.286 608 G C -1.470 172.866 174.900 -0.940 0.000 1.241 608 G CA 0.222 44.948 45.100 -0.623 0.000 0.887 608 G HN 1.961 nan 8.290 nan 0.000 0.484 609 F N -1.135 118.422 119.950 -0.656 0.000 2.807 609 F HA 0.849 5.366 4.527 -0.017 0.000 0.316 609 F C -1.106 174.661 175.800 -0.055 0.000 1.162 609 F CA -0.908 56.894 58.000 -0.329 0.000 0.910 609 F CB 1.510 40.350 39.000 -0.267 0.000 1.314 609 F HN 0.848 nan 8.300 nan 0.000 0.454 610 K N 0.919 121.448 120.400 0.214 0.000 2.555 610 K HA 0.819 5.128 4.320 -0.017 0.000 0.279 610 K C -2.532 174.293 176.600 0.374 0.000 0.986 610 K CA -1.035 55.364 56.287 0.185 0.000 0.880 610 K CB 2.589 35.178 32.500 0.149 0.000 1.474 610 K HN 0.748 nan 8.250 nan 0.000 0.433 611 L N 1.427 122.874 121.223 0.373 0.000 2.385 611 L HA 0.578 4.908 4.340 -0.017 0.000 0.273 611 L C -0.531 176.610 176.870 0.451 0.000 0.990 611 L CA -0.584 54.517 54.840 0.434 0.000 0.821 611 L CB 2.055 44.390 42.059 0.459 0.000 1.279 611 L HN 0.557 nan 8.230 nan 0.000 0.412 612 R N 2.927 123.619 120.500 0.319 0.000 2.670 612 R HA 0.550 4.880 4.340 -0.017 0.000 0.289 612 R C -2.617 173.454 176.300 -0.382 0.000 0.965 612 R CA -1.970 54.185 56.100 0.091 0.000 0.899 612 R CB 1.874 32.265 30.300 0.150 0.000 1.173 612 R HN 0.268 nan 8.270 nan 0.000 0.456 613 P HA -0.038 nan 4.420 nan 0.000 0.266 613 P C -0.556 176.540 177.300 -0.340 0.000 1.195 613 P CA 0.227 62.734 63.100 -0.989 0.000 0.768 613 P CB 0.648 32.076 31.700 -0.454 0.000 0.838 614 E N 1.846 121.910 120.200 -0.226 0.000 2.873 614 E HA 0.438 4.778 4.350 -0.017 0.000 0.232 614 E C 0.655 177.261 176.600 0.010 0.000 1.123 614 E CA -0.360 56.009 56.400 -0.052 0.000 0.809 614 E CB -0.683 29.005 29.700 -0.019 0.000 1.366 614 E HN 0.662 nan 8.360 nan 0.000 0.400 615 G N 2.872 111.687 108.800 0.025 0.000 2.136 615 G HA2 -0.359 3.590 3.960 -0.017 0.000 0.242 615 G HA3 -0.359 3.590 3.960 -0.017 0.000 0.242 615 G C 0.529 175.446 174.900 0.029 0.000 0.989 615 G CA 0.281 45.400 45.100 0.031 0.000 0.682 615 G HN 0.514 nan 8.290 nan 0.000 0.522 616 F N 0.252 120.100 119.950 -0.170 0.000 2.128 616 F HA 0.454 4.971 4.527 -0.017 0.000 0.295 616 F C 1.313 176.864 175.800 -0.415 0.000 1.100 616 F CA 0.771 58.575 58.000 -0.327 0.000 1.260 616 F CB 0.009 38.708 39.000 -0.502 0.000 1.009 616 F HN 0.103 nan 8.300 nan 0.000 0.476 617 F N 0.389 120.354 119.950 0.026 0.000 2.408 617 F HA 0.222 4.739 4.527 -0.018 0.000 0.325 617 F C 1.456 177.213 175.800 -0.072 0.000 1.082 617 F CA -0.750 57.210 58.000 -0.068 0.000 1.032 617 F CB 0.277 39.242 39.000 -0.059 0.000 1.259 617 F HN -0.261 nan 8.300 nan 0.000 0.503 618 D N 0.006 120.488 120.400 0.136 0.000 2.317 618 D HA 0.020 4.650 4.640 -0.017 0.000 0.211 618 D C 0.514 176.842 176.300 0.047 0.000 0.966 618 D CA 0.789 54.820 54.000 0.051 0.000 0.876 618 D CB 0.273 41.088 40.800 0.025 0.000 0.927 618 D HN 0.531 nan 8.370 nan 0.000 0.519 619 R N -2.039 118.500 120.500 0.065 0.000 2.789 619 R HA 0.231 4.560 4.340 -0.017 0.000 0.279 619 R C -0.806 175.486 176.300 -0.013 0.000 1.010 619 R CA -0.732 55.379 56.100 0.018 0.000 0.855 619 R CB 0.447 30.746 30.300 -0.003 0.000 1.312 619 R HN -0.183 nan 8.270 nan 0.000 0.479 620 S N 1.235 116.904 115.700 -0.050 0.000 2.575 620 S HA 0.089 4.549 4.470 -0.017 0.000 0.295 620 S C -1.219 173.270 174.600 -0.186 0.000 1.267 620 S CA -0.893 57.242 58.200 -0.108 0.000 1.074 620 S CB 0.465 63.627 63.200 -0.064 0.000 0.829 620 S HN 0.494 nan 8.310 nan 0.000 0.497 621 P HA 0.055 nan 4.420 nan 0.000 0.245 621 P C 0.652 177.850 177.300 -0.171 0.000 1.212 621 P CA 0.351 63.173 63.100 -0.463 0.000 0.774 621 P CB -0.215 30.747 31.700 -1.229 0.000 0.999 622 V N -4.231 115.625 119.914 -0.097 0.000 3.271 622 V HA 0.186 4.296 4.120 -0.017 0.000 0.327 622 V C 1.842 177.958 176.094 0.037 0.000 1.389 622 V CA -0.065 62.233 62.300 -0.004 0.000 1.156 622 V CB -0.923 30.922 31.823 0.035 0.000 1.103 622 V HN -0.101 nan 8.190 nan 0.000 0.453 623 L N 1.471 122.706 121.223 0.019 0.000 2.275 623 L HA -0.037 4.292 4.340 -0.017 0.000 0.215 623 L C 2.097 179.005 176.870 0.064 0.000 1.119 623 L CA 1.637 56.509 54.840 0.054 0.000 0.790 623 L CB -0.406 41.662 42.059 0.016 0.000 0.919 623 L HN 0.547 nan 8.230 nan 0.000 0.443 624 D N -0.796 119.624 120.400 0.033 0.000 2.328 624 D HA -0.000 4.630 4.640 -0.017 0.000 0.221 624 D C 0.640 176.950 176.300 0.016 0.000 1.072 624 D CA -0.017 53.997 54.000 0.023 0.000 0.850 624 D CB -0.291 40.513 40.800 0.006 0.000 0.922 624 D HN -0.002 nan 8.370 nan 0.000 0.516 625 V N 3.327 123.256 119.914 0.025 0.000 2.521 625 V HA 0.150 4.260 4.120 -0.017 0.000 0.286 625 V C -1.517 174.578 176.094 0.001 0.000 1.034 625 V CA -1.091 61.212 62.300 0.007 0.000 1.045 625 V CB 0.768 32.601 31.823 0.016 0.000 0.974 625 V HN 0.180 nan 8.190 nan 0.000 0.480 626 P HA 0.168 nan 4.420 nan 0.000 0.272 626 P C -0.435 176.838 177.300 -0.045 0.000 1.240 626 P CA -0.362 62.727 63.100 -0.018 0.000 0.791 626 P CB 0.685 32.377 31.700 -0.013 0.000 0.978 627 A N 1.959 124.752 122.820 -0.046 0.000 2.561 627 A HA 0.127 4.436 4.320 -0.017 0.000 0.251 627 A C 0.390 177.935 177.584 -0.066 0.000 1.062 627 A CA 0.686 52.679 52.037 -0.073 0.000 0.761 627 A CB -1.388 17.585 19.000 -0.045 0.000 0.986 627 A HN 0.783 nan 8.150 nan 0.000 0.510 628 N N 0.000 118.643 118.700 -0.096 0.000 1.763 628 N HA 0.000 4.730 4.740 -0.017 0.000 0.220 628 N CA 0.000 53.009 53.050 -0.069 0.000 0.885 628 N CB 0.000 38.461 38.487 -0.043 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667