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 3cw8_1_X DATA FIRST_RESID 1 DATA SEQUENCE MQTVNEMLRR AATRAPDHCA LAVPARGLRL THAELRARVE AVAARLHADG DATA SEQUENCE LRPQQRVAVV APNSADVVIA ILALHRLGAV PALLNPRLKS AELAELIKRG DATA SEQUENCE EMTAAVIAVG RQVADAIFQS GSGARIIFLG DLVRDGEPYS YGPPIEDPQR DATA SEQUENCE EPAQPAFIFY TSGTTGLPKA AIIPQRAAES RVLFMSTQVG LRHGRHNVVL DATA SEQUENCE GLMPLYHVVG FFAVLVAALA LDGTYVVIEE FRPVDALQLV QQEQVTSLFA DATA SEQUENCE TPTHLDALAA AAAHAGSSLK LDSLRHVTFA GATMPDAVLE TVHQHLPGEK DATA SEQUENCE VNIYGTTEAM NSLYMRQPKT GTEMAPGFFS EVRIVRIGGG VDEIVANGEE DATA SEQUENCE GELIVAASDS AFVGYLNQPE ATAEKLQDGW YRTSDVAVWT PEGTVRILGR DATA SEQUENCE VDDMIISGGE NIHPSEIERV LGTAPGVTEV VVIGLADQXW GQSVTACVVP DATA SEQUENCE RLGETLSADA LDTFCRSSEL ADFKRPKRYF ILDQLPKNAL NKVLRRQLVQ DATA SEQUENCE QV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.329 176.300 0.049 0.000 1.140 1 M CA 0.000 55.324 55.300 0.040 0.000 0.988 1 M CB 0.000 32.623 32.600 0.039 0.000 1.302 2 Q N 1.834 121.670 119.800 0.058 0.000 2.333 2 Q HA 0.554 4.894 4.340 -0.000 0.000 0.268 2 Q C -0.623 175.442 176.000 0.109 0.000 1.007 2 Q CA -0.862 54.986 55.803 0.075 0.000 0.810 2 Q CB 2.493 31.271 28.738 0.066 0.000 1.264 2 Q HN 0.814 nan 8.270 nan 0.000 0.452 3 T N -2.082 112.561 114.554 0.149 0.000 2.788 3 T HA 0.152 4.502 4.350 -0.000 0.000 0.287 3 T C 1.479 176.350 174.700 0.284 0.000 1.007 3 T CA -0.743 61.504 62.100 0.245 0.000 1.005 3 T CB 0.716 69.759 68.868 0.292 0.000 1.012 3 T HN 0.286 nan 8.240 nan 0.000 0.530 4 V N 1.620 121.761 119.914 0.379 0.000 2.250 4 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 4 V C 2.854 179.149 176.094 0.335 0.000 1.060 4 V CA 2.618 65.093 62.300 0.292 0.000 1.030 4 V CB -1.363 30.571 31.823 0.185 0.000 0.643 4 V HN 1.003 nan 8.190 nan 0.000 0.445 5 N N -0.112 118.924 118.700 0.561 0.000 2.104 5 N HA -0.231 4.509 4.740 -0.000 0.000 0.190 5 N C 1.796 177.405 175.510 0.165 0.000 1.024 5 N CA 1.807 55.041 53.050 0.306 0.000 0.853 5 N CB -0.182 38.344 38.487 0.066 0.000 1.008 5 N HN 0.532 nan 8.380 nan 0.000 0.424 6 E N -0.163 120.128 120.200 0.151 0.000 2.152 6 E HA -0.036 4.314 4.350 -0.000 0.000 0.192 6 E C 1.932 178.583 176.600 0.085 0.000 0.983 6 E CA 1.052 57.508 56.400 0.094 0.000 0.818 6 E CB -0.140 29.609 29.700 0.082 0.000 0.758 6 E HN 0.436 nan 8.360 nan 0.000 0.467 7 M N -0.318 119.342 119.600 0.100 0.000 2.117 7 M HA -0.125 4.355 4.480 -0.000 0.000 0.262 7 M C 1.982 178.326 176.300 0.073 0.000 1.065 7 M CA 1.272 56.617 55.300 0.076 0.000 1.114 7 M CB -0.165 32.477 32.600 0.071 0.000 1.361 7 M HN 0.199 nan 8.290 nan 0.000 0.408 8 L N -1.152 120.124 121.223 0.089 0.000 2.131 8 L HA -0.139 4.200 4.340 -0.000 0.000 0.206 8 L C 2.604 179.533 176.870 0.098 0.000 1.087 8 L CA 0.884 55.782 54.840 0.097 0.000 0.767 8 L CB -0.772 41.342 42.059 0.091 0.000 0.917 8 L HN 0.341 nan 8.230 nan 0.000 0.441 9 R N 0.926 121.475 120.500 0.082 0.000 2.073 9 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 9 R C 2.479 178.809 176.300 0.049 0.000 1.134 9 R CA 1.477 57.615 56.100 0.063 0.000 0.952 9 R CB -0.058 30.272 30.300 0.050 0.000 0.850 9 R HN 0.261 nan 8.270 nan 0.000 0.433 10 R N -0.035 120.491 120.500 0.042 0.000 2.081 10 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 10 R C 2.384 178.693 176.300 0.014 0.000 1.131 10 R CA 1.381 57.495 56.100 0.024 0.000 0.960 10 R CB -0.394 29.917 30.300 0.019 0.000 0.856 10 R HN 0.284 nan 8.270 nan 0.000 0.436 11 A N 1.442 124.275 122.820 0.022 0.000 1.883 11 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 11 A C 2.409 179.944 177.584 -0.082 0.000 1.186 11 A CA 1.796 53.816 52.037 -0.028 0.000 0.624 11 A CB -0.755 18.246 19.000 0.002 0.000 0.822 11 A HN 0.406 nan 8.150 nan 0.000 0.444 12 A N -0.364 122.472 122.820 0.027 0.000 1.933 12 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 12 A C 2.439 180.038 177.584 0.024 0.000 1.175 12 A CA 2.596 54.670 52.037 0.061 0.000 0.628 12 A CB -1.406 17.662 19.000 0.113 0.000 0.814 12 A HN 0.851 nan 8.150 nan 0.000 0.444 13 T N -2.443 112.120 114.554 0.014 0.000 2.867 13 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 13 T C 1.916 176.613 174.700 -0.006 0.000 1.057 13 T CA 1.298 63.403 62.100 0.008 0.000 1.136 13 T CB -0.293 68.579 68.868 0.006 0.000 0.874 13 T HN 0.543 nan 8.240 nan 0.000 0.466 14 R N 1.186 121.672 120.500 -0.023 0.000 2.100 14 R HA 0.385 4.725 4.340 -0.000 0.000 0.220 14 R C 1.454 177.727 176.300 -0.044 0.000 1.091 14 R CA 0.960 57.044 56.100 -0.026 0.000 0.986 14 R CB 0.071 30.364 30.300 -0.010 0.000 0.888 14 R HN 0.446 nan 8.270 nan 0.000 0.444 15 A N 1.169 123.929 122.820 -0.099 0.000 3.129 15 A HA 0.279 4.599 4.320 -0.000 0.000 0.282 15 A C -2.019 175.561 177.584 -0.006 0.000 0.948 15 A CA -1.098 50.876 52.037 -0.105 0.000 1.027 15 A CB 0.477 19.306 19.000 -0.286 0.000 1.123 15 A HN -0.024 nan 8.150 nan 0.000 0.485 16 P HA -0.154 nan 4.420 nan 0.000 0.216 16 P C 0.094 177.468 177.300 0.123 0.000 1.150 16 P CA 1.379 64.533 63.100 0.089 0.000 0.837 16 P CB 0.262 31.995 31.700 0.056 0.000 0.786 17 D N -2.511 117.955 120.400 0.110 0.000 2.363 17 D HA 0.034 4.674 4.640 -0.000 0.000 0.214 17 D C 0.511 176.891 176.300 0.134 0.000 1.093 17 D CA 0.007 54.068 54.000 0.100 0.000 0.837 17 D CB -0.492 40.349 40.800 0.068 0.000 0.948 17 D HN 0.326 nan 8.370 nan 0.000 0.507 18 H N 0.244 119.370 119.070 0.093 0.000 2.505 18 H HA 0.185 4.741 4.556 -0.000 0.000 0.351 18 H C -0.261 175.169 175.328 0.171 0.000 1.151 18 H CA -0.519 55.596 56.048 0.111 0.000 1.339 18 H CB 1.040 30.851 29.762 0.082 0.000 1.483 18 H HN -0.093 nan 8.280 nan 0.000 0.558 19 C N 4.720 123.753 119.300 -0.444 0.000 2.651 19 C HA 0.420 4.880 4.460 -0.000 0.000 0.410 19 C C 1.493 176.393 174.990 -0.150 0.000 1.372 19 C CA 0.351 59.210 59.018 -0.264 0.000 1.707 19 C CB -1.943 25.624 27.740 -0.289 0.000 2.501 19 C HN 0.902 nan 8.230 nan 0.000 0.598 20 A N 5.729 128.425 122.820 -0.206 0.000 1.920 20 A HA 0.374 4.694 4.320 -0.000 0.000 0.209 20 A C 0.530 178.023 177.584 -0.152 0.000 1.229 20 A CA 0.582 52.369 52.037 -0.415 0.000 0.671 20 A CB -0.033 18.520 19.000 -0.745 0.000 0.886 20 A HN 0.769 nan 8.150 nan 0.000 0.461 21 L N 0.260 121.429 121.223 -0.091 0.000 2.356 21 L HA 0.676 5.016 4.340 -0.000 0.000 0.277 21 L C -0.525 176.336 176.870 -0.015 0.000 0.996 21 L CA -0.672 54.171 54.840 0.005 0.000 0.822 21 L CB 1.915 43.984 42.059 0.018 0.000 1.256 21 L HN 0.236 nan 8.230 nan 0.000 0.413 22 A N 3.597 126.410 122.820 -0.011 0.000 2.318 22 A HA 0.772 5.092 4.320 -0.000 0.000 0.317 22 A C -0.619 176.946 177.584 -0.031 0.000 1.159 22 A CA -0.460 51.557 52.037 -0.034 0.000 0.799 22 A CB 1.514 20.483 19.000 -0.051 0.000 1.194 22 A HN 0.411 nan 8.150 nan 0.000 0.479 23 V N 4.224 124.125 119.914 -0.022 0.000 2.315 23 V HA 0.240 4.360 4.120 -0.000 0.000 0.265 23 V C -2.108 173.974 176.094 -0.021 0.000 1.019 23 V CA -1.078 61.211 62.300 -0.018 0.000 0.824 23 V CB 0.825 32.648 31.823 -0.000 0.000 1.072 23 V HN 0.707 nan 8.190 nan 0.000 0.448 24 P HA -0.178 nan 4.420 nan 0.000 0.213 24 P C 1.884 179.172 177.300 -0.020 0.000 1.170 24 P CA 2.201 65.285 63.100 -0.026 0.000 0.898 24 P CB 0.292 31.973 31.700 -0.033 0.000 0.787 25 A N 0.054 122.863 122.820 -0.020 0.000 1.940 25 A HA -0.272 4.048 4.320 -0.000 0.000 0.221 25 A C 2.121 179.700 177.584 -0.009 0.000 1.190 25 A CA 2.052 54.081 52.037 -0.014 0.000 0.647 25 A CB -1.217 17.775 19.000 -0.013 0.000 0.821 25 A HN 0.171 nan 8.150 nan 0.000 0.457 26 R N -1.659 118.837 120.500 -0.007 0.000 2.334 26 R HA 0.257 4.597 4.340 -0.000 0.000 0.216 26 R C 1.106 177.403 176.300 -0.005 0.000 0.905 26 R CA 0.437 56.536 56.100 -0.003 0.000 1.064 26 R CB -0.040 30.261 30.300 0.002 0.000 1.046 26 R HN 0.700 nan 8.270 nan 0.000 0.508 27 G N 2.183 110.977 108.800 -0.009 0.000 2.323 27 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.292 27 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.292 27 G C -0.395 174.498 174.900 -0.011 0.000 1.040 27 G CA 0.212 45.306 45.100 -0.011 0.000 0.942 27 G HN 0.209 nan 8.290 nan 0.000 0.506 28 L N 0.092 121.309 121.223 -0.011 0.000 2.322 28 L HA 0.857 5.197 4.340 -0.000 0.000 0.281 28 L C 0.143 177.002 176.870 -0.017 0.000 1.014 28 L CA -1.085 53.748 54.840 -0.012 0.000 0.815 28 L CB 1.061 43.116 42.059 -0.006 0.000 1.247 28 L HN 0.247 nan 8.230 nan 0.000 0.421 29 R N 6.156 126.643 120.500 -0.021 0.000 2.574 29 R HA 0.672 5.012 4.340 -0.000 0.000 0.288 29 R C -1.688 174.593 176.300 -0.033 0.000 1.004 29 R CA -0.815 55.266 56.100 -0.032 0.000 0.895 29 R CB 1.882 32.158 30.300 -0.039 0.000 1.191 29 R HN 0.578 nan 8.270 nan 0.000 0.444 30 L N 1.636 122.834 121.223 -0.042 0.000 2.386 30 L HA 0.452 4.792 4.340 -0.000 0.000 0.271 30 L C 0.770 177.604 176.870 -0.060 0.000 0.993 30 L CA -0.929 53.886 54.840 -0.042 0.000 0.819 30 L CB 2.277 44.313 42.059 -0.038 0.000 1.294 30 L HN 0.712 nan 8.230 nan 0.000 0.414 31 T N -3.573 110.962 114.554 -0.031 0.000 2.788 31 T HA 0.137 4.487 4.350 -0.000 0.000 0.287 31 T C 1.182 175.883 174.700 0.002 0.000 1.007 31 T CA -0.287 61.816 62.100 0.004 0.000 1.005 31 T CB 0.668 69.564 68.868 0.047 0.000 1.012 31 T HN 0.511 nan 8.240 nan 0.000 0.530 32 H N 0.751 119.841 119.070 0.034 0.000 2.319 32 H HA -0.104 4.451 4.556 -0.001 0.000 0.299 32 H C 2.560 177.905 175.328 0.028 0.000 1.092 32 H CA 1.891 57.962 56.048 0.039 0.000 1.302 32 H CB -0.542 29.255 29.762 0.058 0.000 1.373 32 H HN 0.817 nan 8.280 nan 0.000 0.497 33 A N 1.177 124.085 122.820 0.147 0.000 1.902 33 A HA -0.194 4.125 4.320 -0.000 0.000 0.217 33 A C 2.298 179.908 177.584 0.044 0.000 1.181 33 A CA 1.770 53.855 52.037 0.081 0.000 0.623 33 A CB -0.417 18.622 19.000 0.065 0.000 0.818 33 A HN 0.459 nan 8.150 nan 0.000 0.443 34 E N -0.870 119.348 120.200 0.031 0.000 2.106 34 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 34 E C 1.939 178.538 176.600 -0.001 0.000 0.984 34 E CA 1.130 57.535 56.400 0.009 0.000 0.806 34 E CB -0.219 29.481 29.700 0.001 0.000 0.750 34 E HN 0.513 nan 8.360 nan 0.000 0.458 35 L N 1.350 122.567 121.223 -0.011 0.000 2.046 35 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 35 L C 2.320 179.188 176.870 -0.003 0.000 1.077 35 L CA 1.776 56.602 54.840 -0.023 0.000 0.747 35 L CB -0.383 41.638 42.059 -0.064 0.000 0.896 35 L HN -0.086 nan 8.230 nan 0.000 0.432 36 R N -0.320 120.190 120.500 0.017 0.000 2.083 36 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 36 R C 2.185 178.493 176.300 0.013 0.000 1.137 36 R CA 1.674 57.790 56.100 0.026 0.000 0.951 36 R CB -0.530 29.797 30.300 0.044 0.000 0.851 36 R HN 0.511 nan 8.270 nan 0.000 0.434 37 A N 0.798 123.624 122.820 0.010 0.000 1.908 37 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 37 A C 2.199 179.778 177.584 -0.008 0.000 1.181 37 A CA 1.748 53.786 52.037 0.002 0.000 0.627 37 A CB -0.427 18.574 19.000 0.002 0.000 0.818 37 A HN 0.407 nan 8.150 nan 0.000 0.445 38 R N -1.030 119.464 120.500 -0.010 0.000 2.093 38 R HA 0.022 4.362 4.340 -0.000 0.000 0.224 38 R C 2.026 178.314 176.300 -0.019 0.000 1.101 38 R CA 1.077 57.165 56.100 -0.019 0.000 0.979 38 R CB -0.496 29.791 30.300 -0.021 0.000 0.877 38 R HN 0.347 nan 8.270 nan 0.000 0.441 39 V N 1.678 121.589 119.914 -0.006 0.000 2.252 39 V HA -0.275 3.844 4.120 -0.000 0.000 0.249 39 V C 2.196 178.288 176.094 -0.004 0.000 1.056 39 V CA 1.863 64.165 62.300 0.004 0.000 1.022 39 V CB -0.395 31.442 31.823 0.023 0.000 0.641 39 V HN 0.308 nan 8.190 nan 0.000 0.445 40 E N 0.142 120.338 120.200 -0.007 0.000 2.077 40 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 40 E C 2.332 178.915 176.600 -0.028 0.000 0.989 40 E CA 1.580 57.971 56.400 -0.015 0.000 0.800 40 E CB -0.489 29.203 29.700 -0.013 0.000 0.746 40 E HN 0.601 nan 8.360 nan 0.000 0.452 41 A N 0.898 123.698 122.820 -0.033 0.000 1.929 41 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 41 A C 2.588 180.125 177.584 -0.078 0.000 1.176 41 A CA 1.091 53.097 52.037 -0.052 0.000 0.628 41 A CB -0.470 18.500 19.000 -0.049 0.000 0.816 41 A HN 0.123 nan 8.150 nan 0.000 0.444 42 V N -0.164 119.710 119.914 -0.066 0.000 2.379 42 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 42 V C 3.037 179.094 176.094 -0.061 0.000 1.044 42 V CA 1.634 63.886 62.300 -0.080 0.000 1.036 42 V CB -1.129 30.657 31.823 -0.061 0.000 0.664 42 V HN 0.603 nan 8.190 nan 0.000 0.453 43 A N 0.383 123.184 122.820 -0.031 0.000 1.873 43 A HA -0.239 4.080 4.320 -0.000 0.000 0.218 43 A C 2.464 180.052 177.584 0.007 0.000 1.193 43 A CA 2.550 54.583 52.037 -0.007 0.000 0.629 43 A CB -1.020 17.977 19.000 -0.004 0.000 0.826 43 A HN 0.582 nan 8.150 nan 0.000 0.447 44 A N -0.779 122.029 122.820 -0.019 0.000 1.883 44 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 44 A C 2.299 179.885 177.584 0.003 0.000 1.186 44 A CA 1.883 53.916 52.037 -0.008 0.000 0.624 44 A CB -0.611 18.370 19.000 -0.032 0.000 0.822 44 A HN 0.457 nan 8.150 nan 0.000 0.444 45 R N -0.137 120.294 120.500 -0.114 0.000 2.096 45 R HA -0.152 4.188 4.340 -0.000 0.000 0.240 45 R C 2.058 178.301 176.300 -0.096 0.000 1.139 45 R CA 2.038 57.972 56.100 -0.278 0.000 0.952 45 R CB -0.792 29.221 30.300 -0.477 0.000 0.854 45 R HN 0.589 nan 8.270 nan 0.000 0.436 46 L N -0.559 120.638 121.223 -0.044 0.000 2.083 46 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 46 L C 2.828 179.728 176.870 0.049 0.000 1.083 46 L CA 1.321 56.164 54.840 0.004 0.000 0.752 46 L CB -0.682 41.375 42.059 -0.003 0.000 0.899 46 L HN 0.352 nan 8.230 nan 0.000 0.433 47 H N 0.289 119.356 119.070 -0.005 0.000 2.395 47 H HA -0.052 4.504 4.556 -0.001 0.000 0.299 47 H C 2.091 177.441 175.328 0.037 0.000 1.070 47 H CA 1.377 57.430 56.048 0.009 0.000 1.356 47 H CB 0.393 30.155 29.762 -0.000 0.000 1.401 47 H HN 0.305 nan 8.280 nan 0.000 0.524 48 A N 0.548 123.511 122.820 0.238 0.000 2.015 48 A HA -0.117 4.202 4.320 -0.000 0.000 0.219 48 A C 1.677 179.359 177.584 0.164 0.000 1.163 48 A CA 1.524 53.701 52.037 0.233 0.000 0.646 48 A CB -0.103 19.094 19.000 0.329 0.000 0.806 48 A HN 0.355 nan 8.150 nan 0.000 0.448 49 D N -1.157 119.328 120.400 0.143 0.000 2.328 49 D HA 0.281 4.921 4.640 -0.000 0.000 0.226 49 D C 1.199 177.509 176.300 0.015 0.000 1.066 49 D CA 1.034 55.091 54.000 0.094 0.000 0.861 49 D CB 0.109 40.976 40.800 0.112 0.000 0.912 49 D HN 0.589 nan 8.370 nan 0.000 0.521 50 G N -0.382 108.393 108.800 -0.041 0.000 2.134 50 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.209 50 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.209 50 G C 0.458 175.274 174.900 -0.140 0.000 0.993 50 G CA 0.086 45.123 45.100 -0.106 0.000 0.669 50 G HN 0.550 nan 8.290 nan 0.000 0.519 51 L N 0.572 121.709 121.223 -0.143 0.000 2.349 51 L HA 0.954 5.294 4.340 -0.000 0.000 0.275 51 L C 0.739 177.495 176.870 -0.191 0.000 1.115 51 L CA -0.490 54.279 54.840 -0.119 0.000 0.820 51 L CB 0.336 42.359 42.059 -0.058 0.000 1.135 51 L HN 0.352 nan 8.230 nan 0.000 0.445 52 R N 2.186 122.612 120.500 -0.124 0.000 2.837 52 R HA 0.620 4.960 4.340 -0.000 0.000 0.271 52 R C -2.745 173.528 176.300 -0.046 0.000 0.993 52 R CA -2.489 53.550 56.100 -0.102 0.000 0.931 52 R CB 1.433 31.672 30.300 -0.101 0.000 1.206 52 R HN 0.588 nan 8.270 nan 0.000 0.474 53 P HA -0.082 nan 4.420 nan 0.000 0.266 53 P C -0.028 177.253 177.300 -0.032 0.000 1.180 53 P CA 0.621 63.706 63.100 -0.025 0.000 0.765 53 P CB 0.457 32.149 31.700 -0.014 0.000 0.806 54 Q N -1.871 117.905 119.800 -0.039 0.000 2.305 54 Q HA -0.258 4.082 4.340 -0.000 0.000 0.203 54 Q C -0.170 175.809 176.000 -0.035 0.000 0.663 54 Q CA 1.453 57.233 55.803 -0.038 0.000 1.389 54 Q CB -1.725 26.996 28.738 -0.029 0.000 1.566 54 Q HN 0.696 nan 8.270 nan 0.000 0.755 55 Q N 0.635 120.414 119.800 -0.035 0.000 2.327 55 Q HA 0.318 4.657 4.340 -0.000 0.000 0.254 55 Q C -0.031 175.950 176.000 -0.033 0.000 0.952 55 Q CA 0.032 55.816 55.803 -0.031 0.000 0.884 55 Q CB 0.670 29.388 28.738 -0.033 0.000 1.224 55 Q HN 0.105 nan 8.270 nan 0.000 0.422 56 R N 0.967 121.453 120.500 -0.023 0.000 2.312 56 R HA 0.430 4.770 4.340 -0.000 0.000 0.311 56 R C -0.997 175.293 176.300 -0.016 0.000 1.004 56 R CA -0.461 55.627 56.100 -0.020 0.000 0.902 56 R CB 1.115 31.413 30.300 -0.003 0.000 1.073 56 R HN 0.289 nan 8.270 nan 0.000 0.457 57 V N 2.690 122.590 119.914 -0.022 0.000 2.407 57 V HA 0.358 4.478 4.120 -0.000 0.000 0.291 57 V C 0.143 176.225 176.094 -0.020 0.000 1.018 57 V CA -1.039 61.250 62.300 -0.019 0.000 0.842 57 V CB 1.541 33.352 31.823 -0.021 0.000 0.996 57 V HN 0.945 nan 8.190 nan 0.000 0.426 58 A N 4.984 127.795 122.820 -0.014 0.000 2.511 58 A HA 0.577 4.897 4.320 -0.000 0.000 0.242 58 A C -0.203 177.361 177.584 -0.033 0.000 1.069 58 A CA 0.024 52.046 52.037 -0.025 0.000 0.763 58 A CB 0.320 19.300 19.000 -0.034 0.000 1.001 58 A HN 0.798 nan 8.150 nan 0.000 0.498 59 V N 3.446 123.331 119.914 -0.048 0.000 2.444 59 V HA 0.447 4.567 4.120 -0.000 0.000 0.294 59 V C -0.538 175.534 176.094 -0.035 0.000 1.022 59 V CA -0.439 61.840 62.300 -0.036 0.000 0.850 59 V CB 1.594 33.389 31.823 -0.047 0.000 0.992 59 V HN 0.627 nan 8.190 nan 0.000 0.426 60 V N 3.760 123.666 119.914 -0.014 0.000 2.385 60 V HA 0.907 5.027 4.120 -0.000 0.000 0.277 60 V C 0.068 176.179 176.094 0.027 0.000 1.012 60 V CA -0.185 62.105 62.300 -0.017 0.000 0.832 60 V CB 1.005 32.802 31.823 -0.044 0.000 1.028 60 V HN 1.075 nan 8.190 nan 0.000 0.436 61 A N 5.859 128.713 122.820 0.056 0.000 2.594 61 A HA 0.966 5.286 4.320 -0.000 0.000 0.296 61 A C -3.146 174.511 177.584 0.122 0.000 1.061 61 A CA -1.194 50.893 52.037 0.084 0.000 0.689 61 A CB 1.775 20.824 19.000 0.082 0.000 1.280 61 A HN 0.480 nan 8.150 nan 0.000 0.406 62 P HA 0.167 nan 4.420 nan 0.000 0.271 62 P C -0.541 176.836 177.300 0.129 0.000 1.233 62 P CA -0.271 62.912 63.100 0.138 0.000 0.789 62 P CB 0.242 32.009 31.700 0.112 0.000 0.951 63 N N -0.001 118.778 118.700 0.132 0.000 2.458 63 N HA 0.274 5.014 4.740 -0.000 0.000 0.258 63 N C 0.111 175.688 175.510 0.111 0.000 1.219 63 N CA 0.430 53.557 53.050 0.127 0.000 0.902 63 N CB -0.146 38.421 38.487 0.134 0.000 1.076 63 N HN 0.520 nan 8.380 nan 0.000 0.455 64 S N -0.678 115.089 115.700 0.112 0.000 2.595 64 S HA 0.621 5.091 4.470 -0.000 0.000 0.270 64 S C 0.406 175.061 174.600 0.093 0.000 1.145 64 S CA -0.398 57.856 58.200 0.089 0.000 0.825 64 S CB 0.750 63.990 63.200 0.067 0.000 1.107 64 S HN 0.401 nan 8.310 nan 0.000 0.461 65 A N 0.882 123.747 122.820 0.074 0.000 1.972 65 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 65 A C 1.562 179.162 177.584 0.028 0.000 1.169 65 A CA 1.901 53.974 52.037 0.060 0.000 0.635 65 A CB -1.022 18.002 19.000 0.041 0.000 0.810 65 A HN 0.832 nan 8.150 nan 0.000 0.446 66 D N -0.615 119.795 120.400 0.017 0.000 2.144 66 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 66 D C 1.964 178.261 176.300 -0.005 0.000 0.978 66 D CA 1.314 55.308 54.000 -0.009 0.000 0.833 66 D CB -0.429 40.354 40.800 -0.029 0.000 0.961 66 D HN 0.218 nan 8.370 nan 0.000 0.470 67 V N 0.446 120.370 119.914 0.017 0.000 2.453 67 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 67 V C 2.402 178.513 176.094 0.028 0.000 1.048 67 V CA 0.931 63.246 62.300 0.024 0.000 1.049 67 V CB -0.038 31.812 31.823 0.045 0.000 0.672 67 V HN -0.023 nan 8.190 nan 0.000 0.457 68 V N 0.365 120.296 119.914 0.028 0.000 2.255 68 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 68 V C 2.263 178.367 176.094 0.017 0.000 1.051 68 V CA 2.719 65.025 62.300 0.009 0.000 1.018 68 V CB -0.544 31.255 31.823 -0.040 0.000 0.641 68 V HN 0.509 nan 8.190 nan 0.000 0.445 69 I N 0.334 120.907 120.570 0.005 0.000 2.151 69 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 69 I C 2.646 178.771 176.117 0.013 0.000 1.080 69 I CA 1.709 63.011 61.300 0.003 0.000 1.339 69 I CB -0.632 37.360 38.000 -0.013 0.000 1.039 69 I HN 0.318 nan 8.210 nan 0.000 0.409 70 A N 0.917 123.740 122.820 0.006 0.000 1.873 70 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 70 A C 2.299 179.903 177.584 0.033 0.000 1.186 70 A CA 1.448 53.486 52.037 0.003 0.000 0.616 70 A CB -0.769 18.222 19.000 -0.014 0.000 0.823 70 A HN 0.371 nan 8.150 nan 0.000 0.442 71 I N -0.258 120.343 120.570 0.051 0.000 2.179 71 I HA -0.249 3.920 4.170 -0.000 0.000 0.242 71 I C 2.311 178.534 176.117 0.176 0.000 1.088 71 I CA 1.134 62.485 61.300 0.085 0.000 1.357 71 I CB -0.321 37.719 38.000 0.066 0.000 1.051 71 I HN 0.275 nan 8.210 nan 0.000 0.409 72 L N 0.381 121.707 121.223 0.173 0.000 2.141 72 L HA -0.170 4.169 4.340 -0.000 0.000 0.209 72 L C 2.785 179.756 176.870 0.167 0.000 1.094 72 L CA 1.081 56.050 54.840 0.214 0.000 0.763 72 L CB -0.694 41.447 42.059 0.137 0.000 0.908 72 L HN 0.254 nan 8.230 nan 0.000 0.437 73 A N 0.242 123.118 122.820 0.094 0.000 1.897 73 A HA -0.109 4.210 4.320 -0.000 0.000 0.215 73 A C 2.240 179.854 177.584 0.050 0.000 1.181 73 A CA 1.043 53.111 52.037 0.052 0.000 0.620 73 A CB -0.518 18.492 19.000 0.016 0.000 0.821 73 A HN 0.313 nan 8.150 nan 0.000 0.443 74 L N -1.359 119.900 121.223 0.060 0.000 2.012 74 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 74 L C 2.691 179.591 176.870 0.050 0.000 1.073 74 L CA 1.949 56.813 54.840 0.040 0.000 0.748 74 L CB -0.738 41.337 42.059 0.028 0.000 0.891 74 L HN 0.627 nan 8.230 nan 0.000 0.431 75 H N 0.282 119.352 119.070 0.000 0.000 2.321 75 H HA -0.210 4.345 4.556 -0.000 0.000 0.300 75 H C 2.293 177.622 175.328 0.002 0.000 1.087 75 H CA 1.935 57.962 56.048 -0.033 0.000 1.319 75 H CB 0.002 29.834 29.762 0.116 0.000 1.379 75 H HN 0.023 nan 8.280 nan 0.000 0.501 76 R N 0.636 121.108 120.500 -0.047 0.000 2.105 76 R HA -0.100 4.240 4.340 -0.000 0.000 0.239 76 R C 2.451 178.692 176.300 -0.098 0.000 1.135 76 R CA 1.770 57.808 56.100 -0.104 0.000 0.967 76 R CB -1.162 29.133 30.300 -0.007 0.000 0.861 76 R HN 0.558 nan 8.270 nan 0.000 0.442 77 L N -1.603 119.593 121.223 -0.046 0.000 2.156 77 L HA 0.109 4.449 4.340 -0.000 0.000 0.208 77 L C 1.241 178.092 176.870 -0.032 0.000 1.095 77 L CA 1.674 56.509 54.840 -0.009 0.000 0.770 77 L CB -0.089 41.987 42.059 0.029 0.000 0.914 77 L HN 0.563 nan 8.230 nan 0.000 0.439 78 G N -1.540 107.209 108.800 -0.086 0.000 2.255 78 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.196 78 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.196 78 G C 0.415 175.272 174.900 -0.072 0.000 0.998 78 G CA -0.020 45.025 45.100 -0.093 0.000 0.656 78 G HN 0.728 nan 8.290 nan 0.000 0.490 79 A N 0.025 122.812 122.820 -0.055 0.000 2.406 79 A HA 0.632 4.952 4.320 -0.000 0.000 0.243 79 A C 0.535 178.064 177.584 -0.091 0.000 1.082 79 A CA 0.522 52.525 52.037 -0.057 0.000 0.786 79 A CB 0.838 19.814 19.000 -0.039 0.000 1.029 79 A HN 1.100 nan 8.150 nan 0.000 0.495 80 V N 3.945 123.800 119.914 -0.099 0.000 2.318 80 V HA 0.269 4.389 4.120 -0.000 0.000 0.271 80 V C -2.272 173.749 176.094 -0.123 0.000 1.030 80 V CA -1.310 60.899 62.300 -0.151 0.000 0.844 80 V CB 0.864 32.623 31.823 -0.106 0.000 1.015 80 V HN 0.718 nan 8.190 nan 0.000 0.460 81 P HA 0.321 nan 4.420 nan 0.000 0.276 81 P C -0.612 176.621 177.300 -0.112 0.000 1.235 81 P CA -0.061 62.986 63.100 -0.089 0.000 0.772 81 P CB 0.903 32.582 31.700 -0.035 0.000 0.871 82 A N 5.045 127.819 122.820 -0.076 0.000 2.394 82 A HA 0.451 4.770 4.320 -0.000 0.000 0.333 82 A C -0.260 177.306 177.584 -0.029 0.000 1.397 82 A CA -0.667 51.367 52.037 -0.005 0.000 0.884 82 A CB -0.341 18.736 19.000 0.129 0.000 1.147 82 A HN 0.474 nan 8.150 nan 0.000 0.505 83 L N 2.973 124.089 121.223 -0.177 0.000 2.290 83 L HA 0.483 4.823 4.340 -0.000 0.000 0.284 83 L C -0.553 176.310 176.870 -0.011 0.000 1.078 83 L CA -0.146 54.590 54.840 -0.174 0.000 0.815 83 L CB 0.796 42.601 42.059 -0.424 0.000 1.162 83 L HN 0.541 nan 8.230 nan 0.000 0.435 84 L N 3.330 124.507 121.223 -0.077 0.000 2.385 84 L HA 0.371 4.711 4.340 -0.000 0.000 0.273 84 L C 0.123 176.823 176.870 -0.284 0.000 0.990 84 L CA -0.665 54.040 54.840 -0.224 0.000 0.821 84 L CB 1.901 43.758 42.059 -0.337 0.000 1.279 84 L HN 0.527 nan 8.230 nan 0.000 0.412 85 N N 4.908 123.264 118.700 -0.574 0.000 2.365 85 N HA 0.001 4.741 4.740 -0.000 0.000 0.265 85 N C -1.679 173.565 175.510 -0.442 0.000 1.288 85 N CA -1.015 51.432 53.050 -1.004 0.000 0.869 85 N CB 1.102 39.022 38.487 -0.945 0.000 1.071 85 N HN 0.332 nan 8.380 nan 0.000 0.480 86 P HA -0.035 nan 4.420 nan 0.000 0.230 86 P C 0.683 177.923 177.300 -0.100 0.000 1.158 86 P CA 0.667 63.696 63.100 -0.118 0.000 0.769 86 P CB 0.429 32.119 31.700 -0.017 0.000 0.807 87 R N -0.488 119.937 120.500 -0.125 0.000 2.276 87 R HA 0.162 4.502 4.340 -0.000 0.000 0.203 87 R C 1.101 177.347 176.300 -0.090 0.000 1.017 87 R CA -0.230 55.823 56.100 -0.077 0.000 1.010 87 R CB -1.139 29.133 30.300 -0.048 0.000 0.900 87 R HN 0.329 nan 8.270 nan 0.000 0.469 88 L N 1.996 123.140 121.223 -0.132 0.000 2.485 88 L HA -0.011 4.329 4.340 -0.000 0.000 0.275 88 L C 0.758 177.577 176.870 -0.085 0.000 1.207 88 L CA 0.306 55.078 54.840 -0.114 0.000 0.855 88 L CB 0.265 42.233 42.059 -0.152 0.000 1.114 88 L HN -0.126 nan 8.230 nan 0.000 0.485 89 K N 1.721 122.081 120.400 -0.067 0.000 2.485 89 K HA -0.014 4.306 4.320 -0.000 0.000 0.277 89 K C 1.192 177.757 176.600 -0.059 0.000 0.990 89 K CA -0.212 56.043 56.287 -0.053 0.000 0.994 89 K CB 0.632 33.106 32.500 -0.042 0.000 0.906 89 K HN 0.597 nan 8.250 nan 0.000 0.488 90 S N 2.010 117.680 115.700 -0.050 0.000 2.372 90 S HA -0.291 4.179 4.470 -0.000 0.000 0.227 90 S C 1.942 176.512 174.600 -0.049 0.000 1.044 90 S CA 1.779 59.949 58.200 -0.050 0.000 1.050 90 S CB -0.225 62.950 63.200 -0.040 0.000 0.901 90 S HN 0.787 nan 8.310 nan 0.000 0.447 91 A N 2.131 124.926 122.820 -0.042 0.000 1.902 91 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 91 A C 2.109 179.667 177.584 -0.043 0.000 1.181 91 A CA 1.677 53.691 52.037 -0.037 0.000 0.623 91 A CB -0.633 18.349 19.000 -0.030 0.000 0.818 91 A HN 0.753 nan 8.150 nan 0.000 0.443 92 E N 0.221 120.391 120.200 -0.051 0.000 2.106 92 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 92 E C 1.956 178.505 176.600 -0.086 0.000 0.984 92 E CA 1.279 57.643 56.400 -0.060 0.000 0.806 92 E CB -0.561 29.103 29.700 -0.061 0.000 0.750 92 E HN 0.602 nan 8.360 nan 0.000 0.458 93 L N 1.057 122.220 121.223 -0.099 0.000 2.056 93 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 93 L C 2.827 179.641 176.870 -0.093 0.000 1.078 93 L CA 1.189 55.954 54.840 -0.125 0.000 0.749 93 L CB -0.503 41.485 42.059 -0.118 0.000 0.901 93 L HN 0.205 nan 8.230 nan 0.000 0.433 94 A N -0.228 122.553 122.820 -0.064 0.000 1.933 94 A HA -0.235 4.084 4.320 -0.000 0.000 0.218 94 A C 2.201 179.764 177.584 -0.035 0.000 1.175 94 A CA 1.864 53.875 52.037 -0.044 0.000 0.628 94 A CB -0.376 18.604 19.000 -0.035 0.000 0.814 94 A HN 0.378 nan 8.150 nan 0.000 0.444 95 E N 0.018 120.197 120.200 -0.035 0.000 2.107 95 E HA -0.028 4.322 4.350 -0.000 0.000 0.191 95 E C 1.799 178.392 176.600 -0.011 0.000 0.982 95 E CA 0.863 57.251 56.400 -0.020 0.000 0.809 95 E CB -0.335 29.355 29.700 -0.017 0.000 0.756 95 E HN 0.589 nan 8.360 nan 0.000 0.459 96 L N -0.049 121.153 121.223 -0.034 0.000 2.027 96 L HA -0.084 4.255 4.340 -0.000 0.000 0.206 96 L C 2.431 179.308 176.870 0.012 0.000 1.074 96 L CA 0.964 55.798 54.840 -0.011 0.000 0.745 96 L CB -0.387 41.598 42.059 -0.124 0.000 0.898 96 L HN 0.170 nan 8.230 nan 0.000 0.433 97 I N -0.350 120.201 120.570 -0.031 0.000 2.248 97 I HA -0.382 3.788 4.170 -0.000 0.000 0.248 97 I C 2.957 179.081 176.117 0.011 0.000 1.107 97 I CA 1.403 62.697 61.300 -0.009 0.000 1.373 97 I CB -0.369 37.612 38.000 -0.031 0.000 1.055 97 I HN 0.122 nan 8.210 nan 0.000 0.418 98 K N 0.796 121.199 120.400 0.005 0.000 2.001 98 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 98 K C 2.219 178.832 176.600 0.022 0.000 1.048 98 K CA 1.488 57.781 56.287 0.010 0.000 0.932 98 K CB -0.382 32.119 32.500 0.003 0.000 0.715 98 K HN 0.237 nan 8.250 nan 0.000 0.437 99 R N -0.586 119.933 120.500 0.032 0.000 2.127 99 R HA 0.001 4.341 4.340 -0.000 0.000 0.238 99 R C 2.447 178.780 176.300 0.055 0.000 1.134 99 R CA 1.628 57.754 56.100 0.044 0.000 0.975 99 R CB -0.757 29.577 30.300 0.056 0.000 0.865 99 R HN 0.542 nan 8.270 nan 0.000 0.447 100 G N -0.406 108.436 108.800 0.070 0.000 2.744 100 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.211 100 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.211 100 G C -0.471 174.455 174.900 0.044 0.000 1.143 100 G CA -0.056 45.089 45.100 0.075 0.000 0.788 100 G HN 0.377 nan 8.290 nan 0.000 0.534 101 E N -0.175 120.044 120.200 0.031 0.000 2.273 101 E HA -0.162 4.187 4.350 -0.000 0.000 0.177 101 E C -0.026 176.582 176.600 0.014 0.000 1.511 101 E CA 0.169 56.580 56.400 0.018 0.000 0.675 101 E CB -0.993 28.715 29.700 0.015 0.000 1.094 101 E HN 0.429 nan 8.360 nan 0.000 0.348 102 M N 0.163 119.770 119.600 0.013 0.000 2.300 102 M HA 0.169 4.649 4.480 -0.000 0.000 0.348 102 M C 1.491 177.791 176.300 -0.000 0.000 1.151 102 M CA -0.402 54.903 55.300 0.008 0.000 1.046 102 M CB 1.277 33.884 32.600 0.012 0.000 1.647 102 M HN -0.020 nan 8.290 nan 0.000 0.451 103 T N 1.254 115.805 114.554 -0.006 0.000 2.904 103 T HA 0.179 4.529 4.350 -0.000 0.000 0.267 103 T C 0.643 175.338 174.700 -0.008 0.000 1.059 103 T CA 1.032 63.127 62.100 -0.010 0.000 1.137 103 T CB 0.067 68.925 68.868 -0.017 0.000 0.879 103 T HN 0.816 nan 8.240 nan 0.000 0.467 104 A N -0.175 122.641 122.820 -0.007 0.000 2.586 104 A HA 0.822 5.142 4.320 -0.000 0.000 0.290 104 A C -1.851 175.731 177.584 -0.003 0.000 1.086 104 A CA -0.478 51.557 52.037 -0.003 0.000 0.665 104 A CB 0.898 19.896 19.000 -0.004 0.000 1.279 104 A HN 0.390 nan 8.150 nan 0.000 0.423 105 A N 0.198 123.019 122.820 0.001 0.000 2.414 105 A HA 0.620 4.940 4.320 -0.000 0.000 0.286 105 A C -1.163 176.429 177.584 0.013 0.000 1.073 105 A CA -0.345 51.692 52.037 -0.000 0.000 0.727 105 A CB 1.047 20.044 19.000 -0.005 0.000 1.215 105 A HN 1.500 nan 8.150 nan 0.000 0.430 106 V N 5.173 125.093 119.914 0.010 0.000 2.385 106 V HA 0.470 4.589 4.120 -0.000 0.000 0.269 106 V C 0.063 176.182 176.094 0.042 0.000 1.043 106 V CA -0.353 61.961 62.300 0.024 0.000 0.906 106 V CB 0.836 32.662 31.823 0.004 0.000 0.995 106 V HN 0.795 nan 8.190 nan 0.000 0.467 107 I N 3.293 123.917 120.570 0.091 0.000 2.608 107 I HA 0.877 5.047 4.170 -0.000 0.000 0.295 107 I C -0.150 176.100 176.117 0.221 0.000 1.049 107 I CA -1.089 60.275 61.300 0.107 0.000 1.063 107 I CB 2.061 40.095 38.000 0.057 0.000 1.248 107 I HN 0.565 nan 8.210 nan 0.000 0.424 108 A N 6.131 129.056 122.820 0.175 0.000 2.959 108 A HA 0.681 5.001 4.320 -0.000 0.000 0.280 108 A C -0.626 177.028 177.584 0.117 0.000 0.953 108 A CA -0.263 51.919 52.037 0.242 0.000 1.047 108 A CB -0.139 18.986 19.000 0.209 0.000 1.147 108 A HN 0.541 nan 8.150 nan 0.000 0.489 109 V N -1.211 118.734 119.914 0.052 0.000 3.145 109 V HA 0.776 4.896 4.120 -0.000 0.000 0.311 109 V C 1.336 177.402 176.094 -0.047 0.000 1.238 109 V CA -0.311 61.991 62.300 0.003 0.000 1.066 109 V CB 1.319 33.139 31.823 -0.004 0.000 1.144 109 V HN 0.582 nan 8.190 nan 0.000 0.465 110 G N -0.412 108.357 108.800 -0.051 0.000 2.750 110 G HA2 0.360 4.320 3.960 -0.000 0.000 0.250 110 G HA3 0.360 4.320 3.960 -0.000 0.000 0.250 110 G C 1.027 175.874 174.900 -0.089 0.000 1.230 110 G CA 0.448 45.504 45.100 -0.074 0.000 0.883 110 G HN 1.063 nan 8.290 nan 0.000 0.573 111 R N -1.068 119.376 120.500 -0.094 0.000 2.148 111 R HA 0.089 4.429 4.340 -0.000 0.000 0.227 111 R C 2.861 179.127 176.300 -0.056 0.000 1.103 111 R CA 2.373 58.424 56.100 -0.083 0.000 0.983 111 R CB -1.714 28.539 30.300 -0.078 0.000 0.874 111 R HN 0.957 nan 8.270 nan 0.000 0.451 112 Q N 0.115 119.885 119.800 -0.049 0.000 2.079 112 Q HA 0.047 4.387 4.340 -0.000 0.000 0.200 112 Q C 2.597 178.575 176.000 -0.037 0.000 0.974 112 Q CA 1.661 57.440 55.803 -0.039 0.000 0.840 112 Q CB -0.881 27.836 28.738 -0.035 0.000 0.898 112 Q HN 0.513 nan 8.270 nan 0.000 0.430 113 V N 1.074 120.964 119.914 -0.040 0.000 2.261 113 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 113 V C 2.881 178.954 176.094 -0.034 0.000 1.047 113 V CA 1.985 64.262 62.300 -0.039 0.000 1.015 113 V CB -1.269 30.530 31.823 -0.039 0.000 0.642 113 V HN 0.758 nan 8.190 nan 0.000 0.446 114 A N 0.087 122.886 122.820 -0.035 0.000 1.892 114 A HA -0.310 4.009 4.320 -0.000 0.000 0.218 114 A C 1.959 179.529 177.584 -0.024 0.000 1.188 114 A CA 2.290 54.310 52.037 -0.028 0.000 0.631 114 A CB -0.808 18.171 19.000 -0.035 0.000 0.822 114 A HN 0.589 nan 8.150 nan 0.000 0.447 115 D N 0.154 120.537 120.400 -0.028 0.000 2.108 115 D HA -0.168 4.471 4.640 -0.000 0.000 0.190 115 D C 2.265 178.552 176.300 -0.022 0.000 0.995 115 D CA 1.975 55.961 54.000 -0.024 0.000 0.834 115 D CB -0.858 39.927 40.800 -0.025 0.000 0.967 115 D HN 0.441 nan 8.370 nan 0.000 0.446 116 A N 1.012 123.817 122.820 -0.025 0.000 1.948 116 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 116 A C 2.685 180.255 177.584 -0.023 0.000 1.177 116 A CA 2.963 54.985 52.037 -0.025 0.000 0.636 116 A CB -1.247 17.735 19.000 -0.029 0.000 0.815 116 A HN 0.295 nan 8.150 nan 0.000 0.449 117 I N -1.709 118.847 120.570 -0.023 0.000 2.113 117 I HA 0.096 4.266 4.170 -0.000 0.000 0.238 117 I C 2.903 179.012 176.117 -0.014 0.000 1.070 117 I CA 2.828 64.116 61.300 -0.020 0.000 1.332 117 I CB -2.069 35.919 38.000 -0.019 0.000 1.044 117 I HN 0.722 nan 8.210 nan 0.000 0.402 118 F N 0.490 120.433 119.950 -0.013 0.000 2.120 118 F HA -0.037 4.489 4.527 -0.000 0.000 0.300 118 F C 2.688 178.482 175.800 -0.010 0.000 1.095 118 F CA 3.362 61.356 58.000 -0.010 0.000 1.249 118 F CB -1.628 37.367 39.000 -0.009 0.000 0.995 118 F HN 0.749 nan 8.300 nan 0.000 0.480 119 Q N 0.200 119.992 119.800 -0.012 0.000 2.444 119 Q HA 0.184 4.524 4.340 -0.000 0.000 0.206 119 Q C 1.917 177.910 176.000 -0.011 0.000 0.948 119 Q CA 1.398 57.194 55.803 -0.012 0.000 0.946 119 Q CB -1.316 27.414 28.738 -0.014 0.000 1.027 119 Q HN 1.097 nan 8.270 nan 0.000 0.513 120 S N -2.927 112.766 115.700 -0.011 0.000 2.492 120 S HA 0.414 4.884 4.470 -0.000 0.000 0.218 120 S C 1.927 176.523 174.600 -0.008 0.000 1.016 120 S CA 1.075 59.269 58.200 -0.011 0.000 0.916 120 S CB 0.238 63.430 63.200 -0.013 0.000 0.791 120 S HN 1.683 nan 8.310 nan 0.000 0.513 121 G N 1.541 110.337 108.800 -0.007 0.000 2.175 121 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 121 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 121 G C 0.185 175.083 174.900 -0.003 0.000 0.982 121 G CA 0.246 45.343 45.100 -0.005 0.000 0.641 121 G HN 1.460 nan 8.290 nan 0.000 0.527 122 S N 0.001 115.698 115.700 -0.004 0.000 2.564 122 S HA 0.525 4.995 4.470 -0.000 0.000 0.278 122 S C 1.592 176.191 174.600 -0.002 0.000 1.333 122 S CA 0.775 58.974 58.200 -0.002 0.000 1.048 122 S CB 1.637 64.836 63.200 -0.003 0.000 0.900 122 S HN 1.530 nan 8.310 nan 0.000 0.505 123 G N 1.274 110.073 108.800 -0.001 0.000 2.776 123 G HA2 0.343 4.303 3.960 -0.000 0.000 0.209 123 G HA3 0.343 4.303 3.960 -0.000 0.000 0.209 123 G C 0.557 175.456 174.900 -0.002 0.000 1.145 123 G CA 0.059 45.158 45.100 -0.002 0.000 0.791 123 G HN 1.263 nan 8.290 nan 0.000 0.530 124 A N 0.666 123.485 122.820 -0.002 0.000 2.522 124 A HA 0.428 4.747 4.320 -0.000 0.000 0.256 124 A C 0.765 178.350 177.584 0.001 0.000 1.086 124 A CA -0.396 51.640 52.037 -0.002 0.000 0.763 124 A CB 0.002 19.001 19.000 -0.003 0.000 1.024 124 A HN 0.427 nan 8.150 nan 0.000 0.502 125 R N 3.376 123.877 120.500 0.002 0.000 2.401 125 R HA 0.232 4.572 4.340 -0.000 0.000 0.299 125 R C -0.446 175.862 176.300 0.014 0.000 1.064 125 R CA -0.455 55.649 56.100 0.008 0.000 1.000 125 R CB 0.172 30.477 30.300 0.008 0.000 0.973 125 R HN 0.579 nan 8.270 nan 0.000 0.438 126 I N 7.271 127.852 120.570 0.019 0.000 2.379 126 I HA 0.127 4.297 4.170 -0.000 0.000 0.290 126 I C 0.248 176.396 176.117 0.051 0.000 1.063 126 I CA -0.188 61.130 61.300 0.031 0.000 1.351 126 I CB 0.330 38.346 38.000 0.027 0.000 1.410 126 I HN 0.594 nan 8.210 nan 0.000 0.505 127 I N 7.084 127.689 120.570 0.059 0.000 2.382 127 I HA 0.226 4.396 4.170 -0.000 0.000 0.286 127 I C -0.176 176.024 176.117 0.137 0.000 1.002 127 I CA -0.765 60.581 61.300 0.076 0.000 1.135 127 I CB 1.517 39.537 38.000 0.033 0.000 1.288 127 I HN 0.291 nan 8.210 nan 0.000 0.448 128 F N 6.920 126.870 119.950 0.001 0.000 2.467 128 F HA 0.180 4.706 4.527 -0.000 0.000 0.362 128 F C 0.746 176.547 175.800 0.002 0.000 1.090 128 F CA -0.585 57.416 58.000 0.001 0.000 1.202 128 F CB 0.924 39.926 39.000 0.004 0.000 1.113 128 F HN 0.421 nan 8.300 nan 0.000 0.541 129 L N 6.390 127.498 121.223 -0.192 0.000 2.013 129 L HA -0.041 4.299 4.340 -0.000 0.000 0.212 129 L C 2.162 178.620 176.870 -0.687 0.000 1.073 129 L CA 2.498 57.136 54.840 -0.337 0.000 0.753 129 L CB -1.380 40.604 42.059 -0.124 0.000 0.890 129 L HN 0.831 nan 8.230 nan 0.000 0.432 130 G N -1.735 106.133 108.800 -1.554 0.000 2.625 130 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.214 130 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.214 130 G C 1.143 175.623 174.900 -0.700 0.000 1.132 130 G CA 0.713 45.144 45.100 -1.116 0.000 0.782 130 G HN 0.447 nan 8.290 nan 0.000 0.538 131 D N -0.137 119.864 120.400 -0.665 0.000 2.305 131 D HA 0.080 4.720 4.640 -0.000 0.000 0.206 131 D C 2.443 178.642 176.300 -0.169 0.000 0.974 131 D CA 0.053 53.916 54.000 -0.229 0.000 0.871 131 D CB 0.326 41.091 40.800 -0.058 0.000 0.947 131 D HN 0.280 nan 8.370 nan 0.000 0.516 132 L N -0.242 120.856 121.223 -0.210 0.000 2.130 132 L HA 0.115 4.455 4.340 -0.000 0.000 0.200 132 L C 0.635 177.420 176.870 -0.142 0.000 1.075 132 L CA 0.496 55.245 54.840 -0.151 0.000 0.768 132 L CB 0.681 42.664 42.059 -0.127 0.000 0.933 132 L HN -0.162 nan 8.230 nan 0.000 0.451 133 V N -0.288 119.531 119.914 -0.157 0.000 2.891 133 V HA 0.471 4.590 4.120 -0.000 0.000 0.304 133 V C -1.460 174.556 176.094 -0.131 0.000 1.171 133 V CA -0.611 61.618 62.300 -0.118 0.000 0.943 133 V CB 2.370 34.142 31.823 -0.084 0.000 1.037 133 V HN 0.256 nan 8.190 nan 0.000 0.427 134 R N 4.280 124.723 120.500 -0.094 0.000 2.514 134 R HA 0.531 4.871 4.340 -0.000 0.000 0.296 134 R C -0.482 175.794 176.300 -0.041 0.000 1.012 134 R CA -0.119 55.934 56.100 -0.078 0.000 0.897 134 R CB 1.079 31.334 30.300 -0.074 0.000 1.184 134 R HN 0.843 nan 8.270 nan 0.000 0.440 135 D N 3.582 123.966 120.400 -0.026 0.000 2.772 135 D HA -0.191 4.449 4.640 -0.000 0.000 0.233 135 D C 0.667 176.958 176.300 -0.014 0.000 1.143 135 D CA 1.966 55.959 54.000 -0.012 0.000 0.700 135 D CB -0.885 39.912 40.800 -0.005 0.000 1.076 135 D HN 1.063 nan 8.370 nan 0.000 0.430 136 G N -0.790 107.998 108.800 -0.020 0.000 2.234 136 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.260 136 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.260 136 G C 0.045 174.929 174.900 -0.026 0.000 0.987 136 G CA 0.388 45.476 45.100 -0.020 0.000 0.625 136 G HN 0.343 nan 8.290 nan 0.000 0.532 137 E N 1.956 122.139 120.200 -0.029 0.000 2.081 137 E HA 0.427 4.777 4.350 -0.000 0.000 0.281 137 E C -2.174 174.400 176.600 -0.044 0.000 0.986 137 E CA -2.017 54.365 56.400 -0.030 0.000 0.796 137 E CB 1.771 31.458 29.700 -0.022 0.000 1.085 137 E HN 0.333 nan 8.360 nan 0.000 0.398 138 P HA 0.106 nan 4.420 nan 0.000 0.277 138 P C -0.433 176.827 177.300 -0.067 0.000 1.240 138 P CA -0.173 62.885 63.100 -0.069 0.000 0.798 138 P CB 0.221 31.878 31.700 -0.072 0.000 0.979 139 Y N -0.253 119.996 120.300 -0.086 0.000 2.436 139 Y HA 0.395 4.945 4.550 -0.000 0.000 0.343 139 Y C 0.732 176.544 175.900 -0.146 0.000 1.008 139 Y CA -0.738 57.318 58.100 -0.073 0.000 1.241 139 Y CB 0.150 38.580 38.460 -0.050 0.000 1.153 139 Y HN 0.498 nan 8.280 nan 0.000 0.521 140 S N 3.722 119.368 115.700 -0.091 0.000 2.478 140 S HA 0.768 5.238 4.470 -0.000 0.000 0.312 140 S C -1.082 173.499 174.600 -0.031 0.000 1.094 140 S CA -0.389 57.734 58.200 -0.127 0.000 1.081 140 S CB 0.058 63.223 63.200 -0.059 0.000 1.007 140 S HN 1.226 nan 8.310 nan 0.000 0.475 141 Y N 0.781 121.083 120.300 0.003 0.000 2.552 141 Y HA 0.727 5.277 4.550 -0.001 0.000 0.337 141 Y C 0.662 176.568 175.900 0.008 0.000 1.094 141 Y CA -0.583 57.520 58.100 0.005 0.000 1.028 141 Y CB 0.947 39.411 38.460 0.006 0.000 1.321 141 Y HN 0.832 nan 8.280 nan 0.000 0.456 142 G N 0.974 109.912 108.800 0.230 0.000 2.349 142 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.213 142 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.213 142 G C -1.843 173.093 174.900 0.059 0.000 1.044 142 G CA -0.377 44.809 45.100 0.143 0.000 0.633 142 G HN 0.715 nan 8.290 nan 0.000 0.506 143 P HA 0.384 nan 4.420 nan 0.000 0.268 143 P C -1.802 175.492 177.300 -0.010 0.000 1.189 143 P CA -0.075 63.024 63.100 -0.002 0.000 0.771 143 P CB 0.310 32.007 31.700 -0.004 0.000 0.822 144 P HA 0.617 nan 4.420 nan 0.000 0.319 144 P C -0.850 176.397 177.300 -0.088 0.000 1.291 144 P CA -0.712 62.360 63.100 -0.048 0.000 0.817 144 P CB 0.966 32.643 31.700 -0.038 0.000 1.349 145 I N -4.391 116.111 120.570 -0.114 0.000 3.108 145 I HA 0.638 4.807 4.170 -0.000 0.000 0.312 145 I C -0.314 175.724 176.117 -0.133 0.000 1.095 145 I CA -1.460 59.724 61.300 -0.192 0.000 1.000 145 I CB 1.928 39.729 38.000 -0.333 0.000 1.229 145 I HN 0.140 nan 8.210 nan 0.000 0.454 146 E N 1.680 121.794 120.200 -0.142 0.000 2.384 146 E HA 0.018 4.368 4.350 -0.000 0.000 0.266 146 E C -0.905 175.658 176.600 -0.063 0.000 1.012 146 E CA 0.013 56.364 56.400 -0.081 0.000 0.901 146 E CB 0.499 30.161 29.700 -0.063 0.000 0.967 146 E HN 0.562 nan 8.360 nan 0.000 0.435 147 D N 5.823 126.195 120.400 -0.047 0.000 2.344 147 D HA 0.112 4.752 4.640 -0.000 0.000 0.253 147 D C -2.046 174.230 176.300 -0.039 0.000 1.255 147 D CA -1.544 52.429 54.000 -0.045 0.000 0.894 147 D CB 0.497 41.276 40.800 -0.036 0.000 1.067 147 D HN 0.244 nan 8.370 nan 0.000 0.492 148 P HA 0.061 nan 4.420 nan 0.000 0.272 148 P C -0.500 176.780 177.300 -0.032 0.000 1.223 148 P CA -0.430 62.651 63.100 -0.031 0.000 0.784 148 P CB 0.596 32.276 31.700 -0.033 0.000 0.923 149 Q N 1.961 121.749 119.800 -0.020 0.000 2.313 149 Q HA 0.149 4.489 4.340 -0.000 0.000 0.266 149 Q C -0.458 175.533 176.000 -0.016 0.000 0.989 149 Q CA 0.367 56.161 55.803 -0.015 0.000 0.890 149 Q CB 0.418 29.151 28.738 -0.008 0.000 1.200 149 Q HN 0.264 nan 8.270 nan 0.000 0.396 150 R N 3.127 123.622 120.500 -0.009 0.000 2.562 150 R HA 0.442 4.781 4.340 -0.000 0.000 0.298 150 R C -0.737 175.570 176.300 0.012 0.000 0.961 150 R CA -0.887 55.214 56.100 0.001 0.000 0.881 150 R CB 1.533 31.840 30.300 0.012 0.000 1.159 150 R HN 0.598 nan 8.270 nan 0.000 0.450 151 E N 2.686 122.893 120.200 0.012 0.000 2.207 151 E HA 0.214 4.564 4.350 -0.000 0.000 0.270 151 E C -1.898 174.712 176.600 0.017 0.000 0.927 151 E CA -2.266 54.141 56.400 0.011 0.000 0.799 151 E CB 1.716 31.417 29.700 0.002 0.000 1.172 151 E HN 0.241 nan 8.360 nan 0.000 0.404 152 P HA -0.218 nan 4.420 nan 0.000 0.215 152 P C 0.918 178.221 177.300 0.005 0.000 1.163 152 P CA 2.116 65.224 63.100 0.012 0.000 0.894 152 P CB 0.204 31.905 31.700 0.003 0.000 0.791 153 A N -1.104 121.712 122.820 -0.007 0.000 2.167 153 A HA -0.106 4.213 4.320 -0.000 0.000 0.214 153 A C 1.425 179.001 177.584 -0.013 0.000 1.151 153 A CA 0.177 52.203 52.037 -0.018 0.000 0.735 153 A CB -1.089 17.893 19.000 -0.029 0.000 0.802 153 A HN 0.221 nan 8.150 nan 0.000 0.467 154 Q N 0.735 120.534 119.800 -0.002 0.000 2.361 154 Q HA 0.114 4.454 4.340 -0.000 0.000 0.276 154 Q C -2.476 173.527 176.000 0.005 0.000 1.022 154 Q CA -1.793 54.009 55.803 -0.003 0.000 0.898 154 Q CB 0.474 29.212 28.738 -0.000 0.000 1.246 154 Q HN 0.143 nan 8.270 nan 0.000 0.410 155 P HA -0.042 nan 4.420 nan 0.000 0.265 155 P C -1.109 176.177 177.300 -0.024 0.000 1.193 155 P CA 0.393 63.491 63.100 -0.003 0.000 0.765 155 P CB 1.078 32.768 31.700 -0.017 0.000 0.823 156 A N 2.616 125.426 122.820 -0.017 0.000 1.995 156 A HA 0.429 4.749 4.320 -0.000 0.000 0.200 156 A C -0.122 177.094 177.584 -0.613 0.000 1.566 156 A CA 0.775 52.692 52.037 -0.201 0.000 0.895 156 A CB 0.065 19.101 19.000 0.059 0.000 1.046 156 A HN 0.448 nan 8.150 nan 0.000 0.523 157 F N -1.269 118.747 119.950 0.111 0.000 2.643 157 F HA 0.692 5.219 4.527 0.000 0.000 0.314 157 F C -0.613 175.196 175.800 0.015 0.000 1.096 157 F CA -0.829 57.172 58.000 0.003 0.000 0.953 157 F CB 1.744 40.755 39.000 0.018 0.000 1.345 157 F HN -0.098 nan 8.300 nan 0.000 0.468 158 I N 1.783 122.365 120.570 0.020 0.000 2.466 158 I HA 0.412 4.582 4.170 -0.000 0.000 0.289 158 I C -1.365 174.602 176.117 -0.250 0.000 1.026 158 I CA -0.380 60.891 61.300 -0.048 0.000 1.078 158 I CB 1.602 39.547 38.000 -0.092 0.000 1.249 158 I HN 0.372 nan 8.210 nan 0.000 0.429 159 F N 4.607 124.520 119.950 -0.060 0.000 2.538 159 F HA 0.539 5.066 4.527 -0.001 0.000 0.325 159 F C -0.549 175.169 175.800 -0.137 0.000 1.066 159 F CA -0.649 57.352 58.000 0.001 0.000 0.946 159 F CB 1.587 40.583 39.000 -0.008 0.000 1.199 159 F HN 0.192 nan 8.300 nan 0.000 0.473 160 Y N 0.310 120.734 120.300 0.207 0.000 2.361 160 Y HA 0.547 5.097 4.550 -0.000 0.000 0.332 160 Y C 0.259 176.230 175.900 0.119 0.000 1.101 160 Y CA -0.727 57.451 58.100 0.129 0.000 1.137 160 Y CB 2.087 40.586 38.460 0.064 0.000 1.207 160 Y HN 0.417 nan 8.280 nan 0.000 0.463 161 T N 2.092 116.761 114.554 0.192 0.000 2.991 161 T HA 0.374 4.724 4.350 -0.000 0.000 0.303 161 T C -0.789 173.962 174.700 0.085 0.000 1.015 161 T CA -0.629 61.545 62.100 0.122 0.000 1.007 161 T CB 0.491 69.399 68.868 0.066 0.000 1.034 161 T HN 0.597 nan 8.240 nan 0.000 0.446 162 S N 2.704 118.452 115.700 0.079 0.000 2.549 162 S HA 0.543 5.013 4.470 -0.000 0.000 0.283 162 S C 0.769 175.380 174.600 0.018 0.000 1.320 162 S CA -0.236 57.992 58.200 0.046 0.000 1.058 162 S CB 0.728 63.957 63.200 0.049 0.000 0.882 162 S HN 0.887 nan 8.310 nan 0.000 0.498 163 G N 0.464 109.259 108.800 -0.007 0.000 2.820 163 G HA2 0.602 4.562 3.960 -0.000 0.000 0.291 163 G HA3 0.602 4.562 3.960 -0.000 0.000 0.291 163 G C 0.073 174.970 174.900 -0.006 0.000 1.323 163 G CA -0.438 44.647 45.100 -0.026 0.000 1.055 163 G HN 0.782 nan 8.290 nan 0.000 0.520 164 T N -0.177 114.374 114.554 -0.005 0.000 3.738 164 T HA 0.590 4.940 4.350 -0.000 0.000 0.231 164 T C 1.013 175.712 174.700 -0.002 0.000 0.967 164 T CA 1.543 63.645 62.100 0.003 0.000 1.227 164 T CB -1.978 66.894 68.868 0.007 0.000 1.136 164 T HN 2.299 nan 8.240 nan 0.000 0.807 165 T N 0.692 115.246 114.554 -0.000 0.000 0.957 165 T HA 0.331 4.681 4.350 -0.000 0.000 0.730 165 T C 1.115 175.811 174.700 -0.007 0.000 0.983 165 T CA 0.669 62.767 62.100 -0.003 0.000 3.858 165 T CB -1.316 67.550 68.868 -0.005 0.000 2.186 165 T HN 1.962 nan 8.240 nan 0.000 0.390 166 G N 1.354 110.151 108.800 -0.004 0.000 2.492 166 G HA2 0.448 4.408 3.960 -0.000 0.000 0.308 166 G HA3 0.448 4.408 3.960 -0.000 0.000 0.308 166 G C 0.784 175.681 174.900 -0.006 0.000 1.323 166 G CA -0.157 44.941 45.100 -0.004 0.000 1.132 166 G HN 1.297 nan 8.290 nan 0.000 0.630 167 L N 0.869 122.091 121.223 -0.001 0.000 2.482 167 L HA 0.221 4.561 4.340 -0.000 0.000 0.273 167 L C -1.515 175.370 176.870 0.025 0.000 1.228 167 L CA -0.463 54.383 54.840 0.010 0.000 0.827 167 L CB -0.125 41.944 42.059 0.016 0.000 1.099 167 L HN 0.263 nan 8.230 nan 0.000 0.494 168 P HA 0.063 nan 4.420 nan 0.000 0.266 168 P C -1.250 176.145 177.300 0.159 0.000 1.195 168 P CA 0.005 63.174 63.100 0.115 0.000 0.768 168 P CB 0.363 32.168 31.700 0.176 0.000 0.838 169 K N 1.563 121.998 120.400 0.057 0.000 2.118 169 K HA 0.610 4.930 4.320 -0.000 0.000 0.267 169 K C -0.023 176.563 176.600 -0.024 0.000 0.991 169 K CA -0.648 55.627 56.287 -0.020 0.000 0.916 169 K CB 0.946 33.224 32.500 -0.370 0.000 1.041 169 K HN 0.331 nan 8.250 nan 0.000 0.455 170 A N 1.917 124.676 122.820 -0.102 0.000 2.506 170 A HA 0.499 4.819 4.320 -0.000 0.000 0.320 170 A C -0.183 177.376 177.584 -0.042 0.000 1.424 170 A CA -0.615 51.131 52.037 -0.485 0.000 1.044 170 A CB -0.320 18.450 19.000 -0.384 0.000 1.140 170 A HN 0.704 nan 8.150 nan 0.000 0.538 171 A N 3.461 126.288 122.820 0.011 0.000 2.354 171 A HA 0.569 4.889 4.320 -0.000 0.000 0.281 171 A C 0.033 177.694 177.584 0.128 0.000 1.174 171 A CA -0.268 51.865 52.037 0.161 0.000 0.828 171 A CB -0.229 18.771 19.000 0.001 0.000 1.099 171 A HN 0.751 nan 8.150 nan 0.000 0.516 172 I N 4.207 124.869 120.570 0.154 0.000 2.312 172 I HA 0.162 4.332 4.170 -0.000 0.000 0.291 172 I C -0.479 175.721 176.117 0.138 0.000 1.031 172 I CA -0.350 61.010 61.300 0.099 0.000 1.293 172 I CB 0.691 38.705 38.000 0.023 0.000 1.403 172 I HN 0.387 nan 8.210 nan 0.000 0.484 173 I N 9.206 129.898 120.570 0.205 0.000 2.304 173 I HA 0.355 4.525 4.170 -0.000 0.000 0.291 173 I C -1.993 174.238 176.117 0.190 0.000 1.018 173 I CA -2.915 58.520 61.300 0.224 0.000 1.260 173 I CB 0.594 38.838 38.000 0.406 0.000 1.390 173 I HN 0.279 nan 8.210 nan 0.000 0.475 174 P HA 0.192 nan 4.420 nan 0.000 0.278 174 P C 0.268 177.632 177.300 0.107 0.000 1.266 174 P CA -0.399 62.741 63.100 0.067 0.000 0.807 174 P CB 1.193 32.896 31.700 0.006 0.000 1.094 175 Q N 1.056 120.913 119.800 0.096 0.000 2.096 175 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 175 Q C 2.031 178.091 176.000 0.101 0.000 0.982 175 Q CA 1.831 57.714 55.803 0.134 0.000 0.850 175 Q CB -0.513 28.289 28.738 0.107 0.000 0.901 175 Q HN 0.609 nan 8.270 nan 0.000 0.422 176 R N 0.090 120.614 120.500 0.040 0.000 2.285 176 R HA 0.110 4.450 4.340 -0.000 0.000 0.213 176 R C 1.816 178.087 176.300 -0.049 0.000 1.068 176 R CA 0.977 57.078 56.100 0.003 0.000 1.004 176 R CB -0.252 30.039 30.300 -0.015 0.000 0.873 176 R HN 0.097 nan 8.270 nan 0.000 0.467 177 A N 1.386 124.165 122.820 -0.068 0.000 2.016 177 A HA 0.177 4.497 4.320 -0.000 0.000 0.217 177 A C 2.416 179.829 177.584 -0.284 0.000 1.162 177 A CA 0.909 52.831 52.037 -0.191 0.000 0.662 177 A CB -0.328 18.546 19.000 -0.210 0.000 0.812 177 A HN 0.489 nan 8.150 nan 0.000 0.450 178 A N 0.025 122.763 122.820 -0.137 0.000 1.908 178 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 178 A C 1.958 179.482 177.584 -0.100 0.000 1.181 178 A CA 1.848 53.828 52.037 -0.095 0.000 0.627 178 A CB -0.524 18.620 19.000 0.241 0.000 0.818 178 A HN 0.621 nan 8.150 nan 0.000 0.445 179 E N 0.041 120.199 120.200 -0.071 0.000 2.038 179 E HA -0.183 4.166 4.350 -0.000 0.000 0.195 179 E C 2.299 178.810 176.600 -0.148 0.000 1.000 179 E CA 1.750 58.116 56.400 -0.056 0.000 0.803 179 E CB -0.102 29.586 29.700 -0.020 0.000 0.750 179 E HN 0.779 nan 8.360 nan 0.000 0.448 180 S N 0.001 115.489 115.700 -0.353 0.000 2.453 180 S HA -0.041 4.429 4.470 -0.000 0.000 0.231 180 S C 1.744 176.138 174.600 -0.343 0.000 1.005 180 S CA 0.340 58.101 58.200 -0.732 0.000 0.949 180 S CB -0.133 62.278 63.200 -1.315 0.000 0.774 180 S HN 0.182 nan 8.310 nan 0.000 0.510 181 R N 0.405 120.746 120.500 -0.265 0.000 2.235 181 R HA 0.146 4.486 4.340 -0.000 0.000 0.213 181 R C 1.693 178.083 176.300 0.151 0.000 1.059 181 R CA 0.835 56.856 56.100 -0.131 0.000 0.997 181 R CB -0.307 29.598 30.300 -0.659 0.000 0.884 181 R HN 0.367 nan 8.270 nan 0.000 0.462 182 V N 0.736 120.676 119.914 0.044 0.000 2.374 182 V HA -0.090 4.030 4.120 -0.000 0.000 0.241 182 V C 2.028 178.090 176.094 -0.054 0.000 1.034 182 V CA 1.121 63.422 62.300 0.002 0.000 1.037 182 V CB -0.160 31.663 31.823 0.000 0.000 0.682 182 V HN 0.213 nan 8.190 nan 0.000 0.463 183 L N 0.395 121.651 121.223 0.055 0.000 2.376 183 L HA -0.106 4.233 4.340 -0.000 0.000 0.219 183 L C 2.411 179.419 176.870 0.231 0.000 1.133 183 L CA 1.213 56.135 54.840 0.137 0.000 0.816 183 L CB -0.642 41.583 42.059 0.275 0.000 0.933 183 L HN 0.558 nan 8.230 nan 0.000 0.449 184 F N -1.030 119.062 119.950 0.238 0.000 2.269 184 F HA -0.178 4.348 4.527 -0.001 0.000 0.301 184 F C 2.274 178.101 175.800 0.045 0.000 1.082 184 F CA 0.921 59.040 58.000 0.198 0.000 1.360 184 F CB -0.525 38.578 39.000 0.172 0.000 1.041 184 F HN -0.050 nan 8.300 nan 0.000 0.512 185 M N 0.524 119.567 119.600 -0.927 0.000 2.358 185 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 185 M C 2.420 178.517 176.300 -0.337 0.000 1.064 185 M CA 1.462 56.338 55.300 -0.707 0.000 1.093 185 M CB -1.428 30.812 32.600 -0.600 0.000 1.401 185 M HN 0.523 nan 8.290 nan 0.000 0.440 186 S N -0.221 115.350 115.700 -0.214 0.000 2.412 186 S HA -0.065 4.405 4.470 -0.000 0.000 0.223 186 S C 2.005 176.526 174.600 -0.131 0.000 1.048 186 S CA 1.533 59.647 58.200 -0.144 0.000 0.954 186 S CB -0.183 62.962 63.200 -0.091 0.000 0.840 186 S HN 0.591 nan 8.310 nan 0.000 0.503 187 T N -0.770 113.712 114.554 -0.119 0.000 2.812 187 T HA 0.036 4.386 4.350 -0.000 0.000 0.264 187 T C 1.858 176.468 174.700 -0.149 0.000 1.042 187 T CA 1.124 63.126 62.100 -0.163 0.000 1.140 187 T CB -0.435 68.273 68.868 -0.265 0.000 0.870 187 T HN 0.291 nan 8.240 nan 0.000 0.445 188 Q N 0.448 120.144 119.800 -0.172 0.000 2.107 188 Q HA 0.272 4.612 4.340 -0.000 0.000 0.195 188 Q C 2.498 178.423 176.000 -0.126 0.000 0.964 188 Q CA 1.019 56.585 55.803 -0.395 0.000 0.833 188 Q CB -0.226 28.211 28.738 -0.502 0.000 0.910 188 Q HN 0.451 nan 8.270 nan 0.000 0.465 189 V N -1.311 118.532 119.914 -0.118 0.000 3.052 189 V HA 0.207 4.327 4.120 -0.000 0.000 0.254 189 V C 1.190 177.216 176.094 -0.114 0.000 1.100 189 V CA 1.018 63.255 62.300 -0.105 0.000 1.112 189 V CB -0.058 31.638 31.823 -0.213 0.000 0.738 189 V HN 0.557 nan 8.190 nan 0.000 0.469 190 G N 0.479 109.200 108.800 -0.130 0.000 2.132 190 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.234 190 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.234 190 G C 0.053 174.856 174.900 -0.162 0.000 0.989 190 G CA -0.050 45.009 45.100 -0.068 0.000 0.676 190 G HN 0.386 nan 8.290 nan 0.000 0.522 191 L N 0.480 121.518 121.223 -0.309 0.000 2.439 191 L HA 0.523 4.863 4.340 -0.000 0.000 0.269 191 L C 1.316 178.147 176.870 -0.065 0.000 1.179 191 L CA -0.009 54.683 54.840 -0.246 0.000 0.828 191 L CB 0.521 42.423 42.059 -0.262 0.000 1.106 191 L HN 0.578 nan 8.230 nan 0.000 0.467 192 R N 0.825 121.358 120.500 0.056 0.000 2.905 192 R HA 0.409 4.749 4.340 -0.000 0.000 0.260 192 R C -0.507 175.868 176.300 0.124 0.000 1.086 192 R CA -0.972 55.183 56.100 0.092 0.000 0.978 192 R CB 1.308 31.670 30.300 0.103 0.000 1.215 192 R HN 0.558 nan 8.270 nan 0.000 0.480 193 H N -0.222 118.875 119.070 0.045 0.000 2.848 193 H HA 0.381 4.937 4.556 -0.000 0.000 0.341 193 H C -0.392 174.969 175.328 0.055 0.000 1.060 193 H CA 1.692 57.742 56.048 0.003 0.000 1.444 193 H CB 0.762 30.516 29.762 -0.013 0.000 1.446 193 H HN 0.888 nan 8.280 nan 0.000 0.583 194 G N 4.023 112.334 108.800 -0.815 0.000 2.352 194 G HA2 -0.031 3.928 3.960 -0.000 0.000 0.303 194 G HA3 -0.031 3.928 3.960 -0.000 0.000 0.303 194 G C 0.066 174.596 174.900 -0.615 0.000 1.593 194 G CA -0.747 44.006 45.100 -0.577 0.000 0.963 194 G HN 0.614 nan 8.290 nan 0.000 0.685 195 R N -0.055 120.172 120.500 -0.455 0.000 2.316 195 R HA -0.004 4.336 4.340 -0.000 0.000 0.202 195 R C 2.133 178.305 176.300 -0.213 0.000 1.029 195 R CA 1.090 56.863 56.100 -0.544 0.000 1.018 195 R CB -0.209 29.662 30.300 -0.716 0.000 0.888 195 R HN 0.769 nan 8.270 nan 0.000 0.471 196 H N -0.514 118.499 119.070 -0.095 0.000 2.518 196 H HA 0.024 4.580 4.556 -0.000 0.000 0.289 196 H C -0.133 175.210 175.328 0.024 0.000 1.051 196 H CA 0.384 56.426 56.048 -0.010 0.000 1.280 196 H CB -0.207 29.548 29.762 -0.012 0.000 1.380 196 H HN -0.022 nan 8.280 nan 0.000 0.566 197 N N 1.857 120.253 118.700 -0.506 0.000 2.420 197 N HA 0.120 4.860 4.740 -0.000 0.000 0.262 197 N C -0.957 174.528 175.510 -0.041 0.000 1.144 197 N CA 0.037 52.915 53.050 -0.286 0.000 0.952 197 N CB 1.912 40.193 38.487 -0.342 0.000 1.081 197 N HN 0.050 nan 8.380 nan 0.000 0.480 198 V N 3.485 123.411 119.914 0.020 0.000 2.376 198 V HA 0.269 4.389 4.120 -0.000 0.000 0.287 198 V C 0.067 176.178 176.094 0.028 0.000 1.015 198 V CA -0.776 61.544 62.300 0.032 0.000 0.834 198 V CB 1.801 33.645 31.823 0.035 0.000 1.001 198 V HN 0.217 nan 8.190 nan 0.000 0.428 199 V N 6.058 125.982 119.914 0.017 0.000 2.384 199 V HA 0.403 4.523 4.120 -0.000 0.000 0.287 199 V C -0.171 175.881 176.094 -0.069 0.000 1.020 199 V CA -0.649 61.665 62.300 0.022 0.000 0.850 199 V CB 1.778 33.649 31.823 0.079 0.000 0.987 199 V HN 0.671 nan 8.190 nan 0.000 0.436 200 L N 4.972 126.164 121.223 -0.051 0.000 2.315 200 L HA 0.527 4.867 4.340 -0.000 0.000 0.283 200 L C 1.141 177.918 176.870 -0.154 0.000 1.089 200 L CA 0.484 55.252 54.840 -0.119 0.000 0.833 200 L CB 0.875 42.911 42.059 -0.038 0.000 1.170 200 L HN 0.716 nan 8.230 nan 0.000 0.442 201 G N 6.074 114.635 108.800 -0.398 0.000 3.102 201 G HA2 0.181 4.141 3.960 -0.000 0.000 0.264 201 G HA3 0.181 4.141 3.960 -0.000 0.000 0.264 201 G C 0.895 175.738 174.900 -0.095 0.000 0.788 201 G CA -0.263 44.641 45.100 -0.326 0.000 2.029 201 G HN 0.762 nan 8.290 nan 0.000 0.608 202 L N 0.290 121.489 121.223 -0.039 0.000 2.179 202 L HA 0.147 4.487 4.340 -0.000 0.000 0.208 202 L C 1.469 178.334 176.870 -0.008 0.000 1.096 202 L CA 0.338 55.142 54.840 -0.060 0.000 0.779 202 L CB -0.245 41.733 42.059 -0.135 0.000 0.922 202 L HN 0.318 nan 8.230 nan 0.000 0.443 203 M N 1.421 121.035 119.600 0.023 0.000 2.233 203 M HA 0.221 4.701 4.480 -0.000 0.000 0.350 203 M C -2.104 174.169 176.300 -0.046 0.000 1.176 203 M CA -2.349 52.936 55.300 -0.025 0.000 1.150 203 M CB 0.170 32.699 32.600 -0.118 0.000 1.530 203 M HN -0.219 nan 8.290 nan 0.000 0.459 204 P HA 0.108 nan 4.420 nan 0.000 0.271 204 P C 0.454 177.582 177.300 -0.286 0.000 1.218 204 P CA -0.129 62.792 63.100 -0.299 0.000 0.780 204 P CB 0.774 32.008 31.700 -0.777 0.000 0.901 205 L N 1.784 122.934 121.223 -0.122 0.000 2.478 205 L HA -0.089 4.251 4.340 -0.000 0.000 0.223 205 L C 2.138 179.066 176.870 0.097 0.000 1.140 205 L CA 0.850 55.715 54.840 0.041 0.000 0.842 205 L CB -0.794 41.323 42.059 0.098 0.000 0.953 205 L HN 0.474 nan 8.230 nan 0.000 0.452 206 Y N -3.282 117.123 120.300 0.176 0.000 2.546 206 Y HA 0.106 4.656 4.550 -0.001 0.000 0.287 206 Y C 1.284 177.422 175.900 0.397 0.000 1.158 206 Y CA -0.297 57.916 58.100 0.188 0.000 1.307 206 Y CB -0.618 37.906 38.460 0.106 0.000 1.036 206 Y HN 0.059 nan 8.280 nan 0.000 0.532 207 H N 1.648 120.716 119.070 -0.002 0.000 2.463 207 H HA 0.212 4.768 4.556 -0.000 0.000 0.332 207 H C 1.333 176.588 175.328 -0.122 0.000 1.127 207 H CA 0.150 56.213 56.048 0.025 0.000 1.238 207 H CB 2.562 32.225 29.762 -0.164 0.000 1.478 207 H HN 0.175 nan 8.280 nan 0.000 0.499 208 V N 2.937 122.390 119.914 -0.770 0.000 2.568 208 V HA -0.174 3.945 4.120 -0.000 0.000 0.253 208 V C 1.921 177.912 176.094 -0.172 0.000 1.072 208 V CA 1.479 63.363 62.300 -0.694 0.000 1.084 208 V CB -1.078 30.339 31.823 -0.677 0.000 0.676 208 V HN 0.453 nan 8.190 nan 0.000 0.469 209 V N 1.922 121.823 119.914 -0.021 0.000 2.283 209 V HA -0.030 4.090 4.120 -0.000 0.000 0.243 209 V C 2.998 179.021 176.094 -0.117 0.000 1.039 209 V CA 2.192 64.444 62.300 -0.081 0.000 1.016 209 V CB -1.551 30.095 31.823 -0.295 0.000 0.650 209 V HN 0.608 nan 8.190 nan 0.000 0.449 210 G N -1.200 107.573 108.800 -0.045 0.000 2.485 210 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.221 210 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.221 210 G C 1.480 176.385 174.900 0.009 0.000 1.115 210 G CA 1.405 46.489 45.100 -0.027 0.000 0.751 210 G HN 0.514 nan 8.290 nan 0.000 0.567 211 F N -0.559 119.271 119.950 -0.201 0.000 2.390 211 F HA 0.381 4.908 4.527 -0.001 0.000 0.281 211 F C 2.252 177.801 175.800 -0.418 0.000 1.016 211 F CA 0.066 57.862 58.000 -0.341 0.000 1.286 211 F CB -0.073 38.699 39.000 -0.381 0.000 1.134 211 F HN 0.057 nan 8.300 nan 0.000 0.597 212 F N 0.700 120.493 119.950 -0.261 0.000 2.098 212 F HA 0.002 4.529 4.527 -0.001 0.000 0.294 212 F C 2.527 178.198 175.800 -0.215 0.000 1.107 212 F CA 1.365 59.176 58.000 -0.314 0.000 1.234 212 F CB -0.915 37.984 39.000 -0.168 0.000 1.002 212 F HN 0.063 nan 8.300 nan 0.000 0.472 213 A N -0.965 121.908 122.820 0.088 0.000 2.178 213 A HA 0.178 4.498 4.320 -0.000 0.000 0.211 213 A C 1.774 179.357 177.584 -0.002 0.000 1.157 213 A CA 1.004 53.077 52.037 0.059 0.000 0.780 213 A CB -0.412 18.725 19.000 0.229 0.000 0.828 213 A HN 0.195 nan 8.150 nan 0.000 0.476 214 V N -1.424 118.471 119.914 -0.032 0.000 3.097 214 V HA 0.063 4.182 4.120 -0.000 0.000 0.223 214 V C 2.066 178.167 176.094 0.011 0.000 1.199 214 V CA 0.751 63.078 62.300 0.045 0.000 1.260 214 V CB -0.754 31.127 31.823 0.096 0.000 1.155 214 V HN 0.428 nan 8.190 nan 0.000 0.509 215 L N 0.597 121.712 121.223 -0.181 0.000 1.976 215 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 215 L C 2.270 178.881 176.870 -0.432 0.000 1.071 215 L CA 2.248 56.773 54.840 -0.525 0.000 0.746 215 L CB -0.486 41.086 42.059 -0.812 0.000 0.890 215 L HN 0.124 nan 8.230 nan 0.000 0.432 216 V N 0.159 119.761 119.914 -0.520 0.000 2.307 216 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 216 V C 2.814 178.793 176.094 -0.191 0.000 1.045 216 V CA 1.522 63.567 62.300 -0.425 0.000 1.024 216 V CB -1.291 30.183 31.823 -0.582 0.000 0.651 216 V HN 0.631 nan 8.190 nan 0.000 0.449 217 A N 0.287 123.020 122.820 -0.145 0.000 1.873 217 A HA -0.231 4.088 4.320 -0.000 0.000 0.218 217 A C 2.473 180.025 177.584 -0.054 0.000 1.193 217 A CA 2.515 54.502 52.037 -0.084 0.000 0.629 217 A CB -1.040 17.904 19.000 -0.094 0.000 0.826 217 A HN 0.602 nan 8.150 nan 0.000 0.447 218 A N -0.379 122.424 122.820 -0.030 0.000 1.903 218 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 218 A C 2.227 179.835 177.584 0.040 0.000 1.191 218 A CA 1.864 53.916 52.037 0.024 0.000 0.638 218 A CB -0.694 18.384 19.000 0.130 0.000 0.823 218 A HN 0.515 nan 8.150 nan 0.000 0.451 219 L N -1.346 119.890 121.223 0.022 0.000 2.068 219 L HA -0.080 4.260 4.340 -0.000 0.000 0.204 219 L C 3.062 180.014 176.870 0.137 0.000 1.076 219 L CA 0.916 55.832 54.840 0.127 0.000 0.753 219 L CB -0.616 41.456 42.059 0.021 0.000 0.910 219 L HN 0.422 nan 8.230 nan 0.000 0.439 220 A N 0.061 122.905 122.820 0.040 0.000 2.019 220 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 220 A C 2.027 179.640 177.584 0.048 0.000 1.164 220 A CA 1.191 53.252 52.037 0.040 0.000 0.644 220 A CB -0.570 18.439 19.000 0.016 0.000 0.805 220 A HN 0.411 nan 8.150 nan 0.000 0.449 221 L N -0.687 120.541 121.223 0.008 0.000 2.627 221 L HA 0.066 4.406 4.340 -0.000 0.000 0.232 221 L C -0.292 176.447 176.870 -0.220 0.000 1.150 221 L CA 0.016 54.831 54.840 -0.042 0.000 0.917 221 L CB -0.313 41.690 42.059 -0.094 0.000 1.104 221 L HN 0.266 nan 8.230 nan 0.000 0.445 222 D N -0.558 119.763 120.400 -0.132 0.000 2.945 222 D HA -0.145 4.494 4.640 -0.000 0.000 0.225 222 D C 0.684 176.888 176.300 -0.159 0.000 1.158 222 D CA 1.113 54.946 54.000 -0.278 0.000 0.805 222 D CB -1.309 39.255 40.800 -0.392 0.000 1.098 222 D HN 0.494 nan 8.370 nan 0.000 0.426 223 G N -1.334 107.477 108.800 0.018 0.000 2.702 223 G HA2 0.654 4.614 3.960 -0.000 0.000 0.254 223 G HA3 0.654 4.614 3.960 -0.000 0.000 0.254 223 G C -0.288 174.788 174.900 0.293 0.000 1.380 223 G CA -0.218 44.942 45.100 0.099 0.000 1.042 223 G HN 0.086 nan 8.290 nan 0.000 0.557 224 T N -0.362 114.300 114.554 0.179 0.000 2.807 224 T HA 0.367 4.717 4.350 -0.000 0.000 0.279 224 T C -1.501 173.263 174.700 0.106 0.000 0.993 224 T CA -0.095 62.069 62.100 0.106 0.000 0.970 224 T CB 1.503 70.391 68.868 0.033 0.000 0.950 224 T HN 0.359 nan 8.240 nan 0.000 0.441 225 Y N 3.478 123.752 120.300 -0.044 0.000 2.367 225 Y HA 0.496 5.046 4.550 0.000 0.000 0.342 225 Y C -0.535 175.344 175.900 -0.035 0.000 0.979 225 Y CA -0.892 57.183 58.100 -0.041 0.000 1.161 225 Y CB 0.568 38.992 38.460 -0.061 0.000 1.155 225 Y HN 0.389 nan 8.280 nan 0.000 0.503 226 V N 7.791 127.444 119.914 -0.435 0.000 2.368 226 V HA 0.143 4.263 4.120 -0.000 0.000 0.266 226 V C -0.097 175.639 176.094 -0.597 0.000 1.045 226 V CA -0.961 61.115 62.300 -0.374 0.000 0.899 226 V CB 0.481 32.178 31.823 -0.210 0.000 1.006 226 V HN 0.593 nan 8.190 nan 0.000 0.470 227 V N 6.791 126.484 119.914 -0.369 0.000 2.540 227 V HA 0.100 4.219 4.120 -0.000 0.000 0.297 227 V C 0.192 176.212 176.094 -0.123 0.000 1.024 227 V CA 0.253 62.438 62.300 -0.192 0.000 1.105 227 V CB 0.451 32.285 31.823 0.018 0.000 0.938 227 V HN 0.551 nan 8.190 nan 0.000 0.482 228 I N 4.698 125.219 120.570 -0.082 0.000 2.411 228 I HA 0.363 4.533 4.170 -0.000 0.000 0.284 228 I C 0.956 177.090 176.117 0.028 0.000 1.012 228 I CA -0.565 60.720 61.300 -0.025 0.000 1.119 228 I CB 1.050 39.042 38.000 -0.013 0.000 1.261 228 I HN 0.661 nan 8.210 nan 0.000 0.448 229 E N 3.451 123.671 120.200 0.033 0.000 2.170 229 E HA -0.008 4.342 4.350 -0.000 0.000 0.191 229 E C 0.406 177.049 176.600 0.071 0.000 0.981 229 E CA 0.748 57.181 56.400 0.056 0.000 0.830 229 E CB 0.704 30.432 29.700 0.047 0.000 0.775 229 E HN 0.589 nan 8.360 nan 0.000 0.470 230 E N 0.089 120.326 120.200 0.063 0.000 2.278 230 E HA 0.100 4.450 4.350 -0.000 0.000 0.272 230 E C -1.459 175.195 176.600 0.091 0.000 0.890 230 E CA -0.613 55.839 56.400 0.086 0.000 0.770 230 E CB 1.022 30.755 29.700 0.056 0.000 1.212 230 E HN -0.103 nan 8.360 nan 0.000 0.415 231 F N 4.469 124.418 119.950 -0.002 0.000 2.541 231 F HA 0.257 4.784 4.527 -0.000 0.000 0.378 231 F C -0.427 175.365 175.800 -0.014 0.000 1.068 231 F CA 0.364 58.339 58.000 -0.041 0.000 1.199 231 F CB 0.322 39.292 39.000 -0.050 0.000 1.091 231 F HN 0.384 nan 8.300 nan 0.000 0.555 232 R N 7.865 127.853 120.500 -0.853 0.000 2.502 232 R HA 0.235 4.575 4.340 -0.000 0.000 0.298 232 R C -1.961 173.830 176.300 -0.849 0.000 1.018 232 R CA -1.618 54.050 56.100 -0.720 0.000 0.899 232 R CB 1.795 31.906 30.300 -0.314 0.000 1.181 232 R HN 0.352 nan 8.270 nan 0.000 0.444 233 P HA -0.154 nan 4.420 nan 0.000 0.215 233 P C 1.202 178.381 177.300 -0.201 0.000 1.157 233 P CA 1.054 63.880 63.100 -0.455 0.000 0.868 233 P CB 0.326 31.928 31.700 -0.163 0.000 0.788 234 V N 1.008 120.829 119.914 -0.156 0.000 2.307 234 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 234 V C 2.500 178.541 176.094 -0.088 0.000 1.045 234 V CA 2.399 64.650 62.300 -0.082 0.000 1.024 234 V CB -1.676 30.116 31.823 -0.052 0.000 0.651 234 V HN 0.140 nan 8.190 nan 0.000 0.449 235 D N 0.477 120.802 120.400 -0.125 0.000 2.116 235 D HA -0.207 4.432 4.640 -0.000 0.000 0.193 235 D C 2.073 178.318 176.300 -0.091 0.000 0.998 235 D CA 1.724 55.661 54.000 -0.104 0.000 0.836 235 D CB -0.169 40.557 40.800 -0.124 0.000 0.951 235 D HN 0.380 nan 8.370 nan 0.000 0.449 236 A N 0.022 122.767 122.820 -0.125 0.000 1.902 236 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 236 A C 2.429 180.002 177.584 -0.018 0.000 1.181 236 A CA 1.149 53.151 52.037 -0.058 0.000 0.623 236 A CB -0.845 18.147 19.000 -0.014 0.000 0.818 236 A HN 0.394 nan 8.150 nan 0.000 0.443 237 L N -0.930 120.282 121.223 -0.019 0.000 2.093 237 L HA -0.235 4.104 4.340 -0.000 0.000 0.208 237 L C 2.885 179.752 176.870 -0.005 0.000 1.085 237 L CA 1.410 56.251 54.840 0.003 0.000 0.755 237 L CB -0.588 41.477 42.059 0.009 0.000 0.904 237 L HN 0.504 nan 8.230 nan 0.000 0.435 238 Q N -0.153 119.636 119.800 -0.019 0.000 2.124 238 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 238 Q C 2.380 178.369 176.000 -0.018 0.000 0.977 238 Q CA 1.284 57.076 55.803 -0.018 0.000 0.850 238 Q CB -0.103 28.620 28.738 -0.026 0.000 0.901 238 Q HN 0.536 nan 8.270 nan 0.000 0.429 239 L N -0.198 121.012 121.223 -0.023 0.000 2.017 239 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 239 L C 2.392 179.254 176.870 -0.013 0.000 1.073 239 L CA 0.774 55.600 54.840 -0.024 0.000 0.745 239 L CB -0.592 41.446 42.059 -0.035 0.000 0.894 239 L HN 0.109 nan 8.230 nan 0.000 0.432 240 V N -0.087 119.826 119.914 -0.002 0.000 2.250 240 V HA -0.421 3.699 4.120 -0.000 0.000 0.250 240 V C 2.523 178.622 176.094 0.008 0.000 1.060 240 V CA 2.356 64.662 62.300 0.010 0.000 1.030 240 V CB -0.608 31.229 31.823 0.023 0.000 0.643 240 V HN 0.565 nan 8.190 nan 0.000 0.445 241 Q N -0.798 119.005 119.800 0.005 0.000 2.050 241 Q HA -0.291 4.049 4.340 -0.000 0.000 0.202 241 Q C 2.394 178.394 176.000 0.000 0.000 0.980 241 Q CA 2.249 58.054 55.803 0.003 0.000 0.840 241 Q CB -0.093 28.645 28.738 0.001 0.000 0.898 241 Q HN 0.747 nan 8.270 nan 0.000 0.424 242 Q N -0.554 119.243 119.800 -0.005 0.000 2.083 242 Q HA -0.138 4.202 4.340 -0.000 0.000 0.198 242 Q C 1.382 177.378 176.000 -0.007 0.000 0.969 242 Q CA 1.226 57.025 55.803 -0.008 0.000 0.838 242 Q CB 0.328 29.058 28.738 -0.014 0.000 0.900 242 Q HN 0.291 nan 8.270 nan 0.000 0.436 243 E N -0.037 120.158 120.200 -0.009 0.000 2.447 243 E HA -0.023 4.327 4.350 -0.000 0.000 0.195 243 E C -0.174 176.429 176.600 0.004 0.000 1.028 243 E CA 0.186 56.580 56.400 -0.009 0.000 0.876 243 E CB 0.584 30.270 29.700 -0.022 0.000 0.885 243 E HN 0.274 nan 8.360 nan 0.000 0.500 244 Q N -0.074 119.732 119.800 0.011 0.000 2.464 244 Q HA -0.136 4.204 4.340 -0.000 0.000 0.304 244 Q C -0.496 175.523 176.000 0.032 0.000 1.401 244 Q CA 0.261 56.078 55.803 0.023 0.000 0.806 244 Q CB -2.501 26.255 28.738 0.029 0.000 1.134 244 Q HN 0.072 nan 8.270 nan 0.000 0.411 245 V N 1.058 120.988 119.914 0.026 0.000 2.655 245 V HA 0.046 4.165 4.120 -0.000 0.000 0.300 245 V C 1.916 178.044 176.094 0.057 0.000 1.044 245 V CA 1.415 63.735 62.300 0.034 0.000 1.095 245 V CB 1.286 33.123 31.823 0.023 0.000 0.952 245 V HN 0.679 nan 8.190 nan 0.000 0.485 246 T N -0.388 114.216 114.554 0.083 0.000 3.034 246 T HA 0.156 4.506 4.350 -0.000 0.000 0.248 246 T C 0.585 175.389 174.700 0.174 0.000 1.040 246 T CA 0.466 62.642 62.100 0.127 0.000 1.107 246 T CB 0.268 69.247 68.868 0.185 0.000 0.932 246 T HN 0.757 nan 8.240 nan 0.000 0.474 247 S N 1.462 117.252 115.700 0.150 0.000 2.549 247 S HA 0.756 5.226 4.470 -0.000 0.000 0.280 247 S C -1.331 173.342 174.600 0.120 0.000 1.109 247 S CA -1.120 57.181 58.200 0.168 0.000 0.905 247 S CB 2.226 65.518 63.200 0.152 0.000 1.081 247 S HN 0.735 nan 8.310 nan 0.000 0.477 248 L N -0.415 120.886 121.223 0.130 0.000 2.455 248 L HA 0.901 5.241 4.340 -0.000 0.000 0.264 248 L C -1.701 175.286 176.870 0.196 0.000 0.968 248 L CA -0.768 54.158 54.840 0.144 0.000 0.827 248 L CB 1.542 43.669 42.059 0.113 0.000 1.317 248 L HN 0.690 nan 8.230 nan 0.000 0.407 249 F N 3.216 123.213 119.950 0.078 0.000 2.460 249 F HA 0.923 5.450 4.527 -0.000 0.000 0.341 249 F C -0.182 175.683 175.800 0.107 0.000 1.130 249 F CA -0.457 57.602 58.000 0.098 0.000 0.962 249 F CB 1.402 40.449 39.000 0.079 0.000 1.171 249 F HN 1.045 nan 8.300 nan 0.000 0.436 250 A N 2.674 125.831 122.820 0.561 0.000 2.569 250 A HA 0.724 5.044 4.320 -0.000 0.000 0.290 250 A C -0.531 177.251 177.584 0.331 0.000 1.136 250 A CA -0.437 51.839 52.037 0.397 0.000 0.710 250 A CB 1.032 20.195 19.000 0.272 0.000 1.303 250 A HN 0.710 nan 8.150 nan 0.000 0.413 251 T N -1.062 113.558 114.554 0.110 0.000 2.899 251 T HA 0.441 4.791 4.350 -0.000 0.000 0.295 251 T C -1.922 172.748 174.700 -0.050 0.000 1.033 251 T CA -1.178 60.894 62.100 -0.047 0.000 1.084 251 T CB 0.747 69.426 68.868 -0.316 0.000 0.979 251 T HN 0.239 nan 8.240 nan 0.000 0.532 252 P HA -0.147 nan 4.420 nan 0.000 0.218 252 P C 1.464 178.701 177.300 -0.105 0.000 1.150 252 P CA 1.342 64.379 63.100 -0.104 0.000 0.841 252 P CB -0.200 31.455 31.700 -0.074 0.000 0.784 253 T N -2.720 111.751 114.554 -0.138 0.000 2.851 253 T HA -0.109 4.241 4.350 -0.000 0.000 0.262 253 T C 1.475 176.128 174.700 -0.079 0.000 1.043 253 T CA 1.147 63.176 62.100 -0.119 0.000 1.140 253 T CB -0.993 67.776 68.868 -0.165 0.000 0.872 253 T HN 0.358 nan 8.240 nan 0.000 0.446 254 H N 0.763 119.709 119.070 -0.206 0.000 2.319 254 H HA 0.029 4.584 4.556 -0.000 0.000 0.299 254 H C 2.198 177.488 175.328 -0.064 0.000 1.092 254 H CA 1.018 56.849 56.048 -0.361 0.000 1.302 254 H CB -0.172 29.263 29.762 -0.545 0.000 1.373 254 H HN 0.177 nan 8.280 nan 0.000 0.497 255 L N 0.062 121.323 121.223 0.063 0.000 2.109 255 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 255 L C 2.255 179.140 176.870 0.025 0.000 1.086 255 L CA 0.881 55.741 54.840 0.034 0.000 0.760 255 L CB -0.243 41.773 42.059 -0.073 0.000 0.910 255 L HN 0.305 nan 8.230 nan 0.000 0.437 256 D N 0.431 120.833 120.400 0.003 0.000 2.104 256 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 256 D C 2.159 178.497 176.300 0.063 0.000 0.994 256 D CA 1.598 55.607 54.000 0.014 0.000 0.830 256 D CB 0.160 40.960 40.800 0.000 0.000 0.959 256 D HN 0.231 nan 8.370 nan 0.000 0.452 257 A N 0.157 123.051 122.820 0.123 0.000 1.902 257 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 257 A C 2.568 180.246 177.584 0.157 0.000 1.181 257 A CA 1.276 53.417 52.037 0.174 0.000 0.623 257 A CB -0.846 18.360 19.000 0.343 0.000 0.818 257 A HN 0.366 nan 8.150 nan 0.000 0.443 258 L N -0.852 120.492 121.223 0.201 0.000 2.056 258 L HA -0.175 4.164 4.340 -0.000 0.000 0.207 258 L C 3.128 180.053 176.870 0.092 0.000 1.078 258 L CA 1.026 55.960 54.840 0.156 0.000 0.749 258 L CB -0.625 41.546 42.059 0.186 0.000 0.901 258 L HN 0.433 nan 8.230 nan 0.000 0.433 259 A N 0.185 123.054 122.820 0.081 0.000 1.883 259 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 259 A C 2.524 180.110 177.584 0.004 0.000 1.186 259 A CA 2.010 54.094 52.037 0.079 0.000 0.624 259 A CB -0.768 18.286 19.000 0.089 0.000 0.822 259 A HN 0.418 nan 8.150 nan 0.000 0.444 260 A N -0.358 122.458 122.820 -0.007 0.000 1.898 260 A HA 0.207 4.527 4.320 -0.000 0.000 0.216 260 A C 2.519 180.084 177.584 -0.031 0.000 1.181 260 A CA 2.038 54.043 52.037 -0.053 0.000 0.620 260 A CB -1.021 17.968 19.000 -0.020 0.000 0.819 260 A HN 1.066 nan 8.150 nan 0.000 0.442 261 A N -0.065 122.762 122.820 0.011 0.000 1.902 261 A HA 0.163 4.483 4.320 -0.000 0.000 0.217 261 A C 2.512 180.123 177.584 0.045 0.000 1.181 261 A CA 2.099 54.157 52.037 0.035 0.000 0.623 261 A CB -1.049 17.964 19.000 0.021 0.000 0.818 261 A HN 1.050 nan 8.150 nan 0.000 0.443 262 A N -0.047 122.789 122.820 0.026 0.000 1.908 262 A HA 0.120 4.439 4.320 -0.000 0.000 0.218 262 A C 2.525 180.104 177.584 -0.007 0.000 1.181 262 A CA 2.241 54.296 52.037 0.030 0.000 0.627 262 A CB -1.099 17.942 19.000 0.069 0.000 0.818 262 A HN 1.101 nan 8.150 nan 0.000 0.445 263 A N -0.808 121.927 122.820 -0.141 0.000 1.883 263 A HA -0.242 4.077 4.320 -0.000 0.000 0.217 263 A C 2.067 179.592 177.584 -0.099 0.000 1.186 263 A CA 2.301 54.142 52.037 -0.327 0.000 0.624 263 A CB -0.944 17.547 19.000 -0.849 0.000 0.822 263 A HN 0.805 nan 8.150 nan 0.000 0.444 264 H N -0.381 118.615 119.070 -0.123 0.000 2.389 264 H HA 0.146 4.702 4.556 -0.000 0.000 0.299 264 H C 2.083 177.388 175.328 -0.039 0.000 1.081 264 H CA 1.714 57.721 56.048 -0.068 0.000 1.345 264 H CB -0.211 29.516 29.762 -0.058 0.000 1.393 264 H HN 0.383 nan 8.280 nan 0.000 0.520 265 A N 0.037 122.803 122.820 -0.091 0.000 1.897 265 A HA 0.248 4.567 4.320 -0.000 0.000 0.215 265 A C 2.009 179.529 177.584 -0.108 0.000 1.181 265 A CA 1.403 53.368 52.037 -0.120 0.000 0.620 265 A CB -1.154 17.831 19.000 -0.025 0.000 0.821 265 A HN 0.872 nan 8.150 nan 0.000 0.443 266 G N -0.842 107.926 108.800 -0.053 0.000 2.550 266 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.277 266 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.277 266 G C 1.121 176.015 174.900 -0.011 0.000 1.190 266 G CA 1.479 46.566 45.100 -0.022 0.000 0.971 266 G HN 1.655 nan 8.290 nan 0.000 0.559 267 S N -0.222 115.470 115.700 -0.014 0.000 2.607 267 S HA 0.251 4.720 4.470 -0.000 0.000 0.224 267 S C 2.148 176.739 174.600 -0.015 0.000 0.969 267 S CA 1.532 59.727 58.200 -0.008 0.000 0.927 267 S CB 0.175 63.371 63.200 -0.006 0.000 0.772 267 S HN 0.978 nan 8.310 nan 0.000 0.533 268 S N 1.126 116.809 115.700 -0.028 0.000 2.382 268 S HA 0.175 4.645 4.470 -0.000 0.000 0.228 268 S C 0.520 175.109 174.600 -0.017 0.000 1.027 268 S CA 0.644 58.827 58.200 -0.029 0.000 0.991 268 S CB -0.326 62.846 63.200 -0.047 0.000 0.823 268 S HN 0.510 nan 8.310 nan 0.000 0.469 269 L N 1.780 122.996 121.223 -0.011 0.000 2.272 269 L HA 0.440 4.780 4.340 -0.000 0.000 0.289 269 L C 0.171 177.043 176.870 0.004 0.000 1.032 269 L CA -0.543 54.296 54.840 -0.002 0.000 0.810 269 L CB 1.059 43.120 42.059 0.003 0.000 1.205 269 L HN -0.032 nan 8.230 nan 0.000 0.422 270 K N 5.125 125.528 120.400 0.004 0.000 2.284 270 K HA 0.510 4.829 4.320 -0.000 0.000 0.287 270 K C -0.005 176.602 176.600 0.011 0.000 1.081 270 K CA -0.147 56.144 56.287 0.007 0.000 0.910 270 K CB 0.104 32.607 32.500 0.004 0.000 1.088 270 K HN 0.721 nan 8.250 nan 0.000 0.478 271 L N 1.814 123.046 121.223 0.016 0.000 2.910 271 L HA 0.146 4.486 4.340 -0.000 0.000 0.252 271 L C 0.486 177.366 176.870 0.017 0.000 1.195 271 L CA -0.382 54.470 54.840 0.020 0.000 1.003 271 L CB 0.336 42.413 42.059 0.030 0.000 1.328 271 L HN 0.686 nan 8.230 nan 0.000 0.540 272 D N 0.415 120.822 120.400 0.011 0.000 2.133 272 D HA -0.244 4.396 4.640 -0.000 0.000 0.195 272 D C 2.292 178.594 176.300 0.003 0.000 0.997 272 D CA 1.863 55.867 54.000 0.006 0.000 0.840 272 D CB -0.125 40.677 40.800 0.004 0.000 0.947 272 D HN 0.350 nan 8.370 nan 0.000 0.452 273 S N -0.272 115.435 115.700 0.011 0.000 2.469 273 S HA -0.117 4.353 4.470 -0.000 0.000 0.238 273 S C 0.864 175.474 174.600 0.017 0.000 0.998 273 S CA -0.106 58.103 58.200 0.017 0.000 0.957 273 S CB -0.385 62.831 63.200 0.027 0.000 0.764 273 S HN 0.200 nan 8.310 nan 0.000 0.514 274 L N 2.896 124.127 121.223 0.013 0.000 2.342 274 L HA 0.443 4.783 4.340 -0.000 0.000 0.285 274 L C 0.953 177.803 176.870 -0.033 0.000 1.095 274 L CA -0.227 54.622 54.840 0.015 0.000 0.843 274 L CB 0.445 42.523 42.059 0.031 0.000 1.201 274 L HN -0.016 nan 8.230 nan 0.000 0.445 275 R N 3.103 123.546 120.500 -0.095 0.000 2.265 275 R HA 0.274 4.614 4.340 -0.000 0.000 0.194 275 R C -0.317 175.680 176.300 -0.505 0.000 0.931 275 R CA 0.307 56.215 56.100 -0.321 0.000 1.032 275 R CB 0.012 30.041 30.300 -0.452 0.000 0.980 275 R HN 0.626 nan 8.270 nan 0.000 0.497 276 H N -0.121 118.965 119.070 0.027 0.000 2.924 276 H HA 0.346 4.902 4.556 -0.000 0.000 0.333 276 H C -0.970 174.362 175.328 0.007 0.000 0.979 276 H CA -0.628 55.424 56.048 0.005 0.000 1.326 276 H CB 2.407 32.162 29.762 -0.012 0.000 1.600 276 H HN -0.278 nan 8.280 nan 0.000 0.520 277 V N 4.245 124.221 119.914 0.104 0.000 2.326 277 V HA 0.222 4.342 4.120 -0.000 0.000 0.281 277 V C 0.123 176.239 176.094 0.036 0.000 1.015 277 V CA -0.390 61.975 62.300 0.107 0.000 0.823 277 V CB 1.457 33.367 31.823 0.145 0.000 1.009 277 V HN 0.754 nan 8.190 nan 0.000 0.436 278 T N 5.934 120.416 114.554 -0.122 0.000 2.855 278 T HA 0.836 5.186 4.350 -0.000 0.000 0.281 278 T C -0.638 173.821 174.700 -0.402 0.000 1.007 278 T CA -0.294 61.468 62.100 -0.563 0.000 1.009 278 T CB 1.302 69.536 68.868 -1.055 0.000 0.983 278 T HN 0.482 nan 8.240 nan 0.000 0.455 279 F N -0.509 119.257 119.950 -0.305 0.000 2.631 279 F HA 0.939 5.466 4.527 -0.000 0.000 0.308 279 F C -0.569 175.322 175.800 0.152 0.000 1.097 279 F CA -1.478 56.535 58.000 0.022 0.000 0.952 279 F CB 1.150 40.173 39.000 0.039 0.000 1.307 279 F HN 0.853 nan 8.300 nan 0.000 0.450 280 A N 0.523 123.638 122.820 0.491 0.000 2.566 280 A HA 0.768 5.088 4.320 -0.000 0.000 0.290 280 A C 0.257 177.982 177.584 0.235 0.000 1.071 280 A CA -0.212 52.041 52.037 0.360 0.000 0.658 280 A CB 0.816 20.108 19.000 0.488 0.000 1.285 280 A HN 2.457 nan 8.150 nan 0.000 0.427 281 G N -1.260 107.616 108.800 0.128 0.000 2.424 281 G HA2 0.390 4.350 3.960 -0.000 0.000 0.207 281 G HA3 0.390 4.350 3.960 -0.000 0.000 0.207 281 G C 0.643 175.570 174.900 0.045 0.000 1.061 281 G CA 0.995 46.120 45.100 0.042 0.000 0.657 281 G HN 2.528 nan 8.290 nan 0.000 0.508 282 A N -0.628 122.237 122.820 0.074 0.000 2.435 282 A HA 0.858 5.177 4.320 -0.000 0.000 0.296 282 A C 0.072 177.718 177.584 0.103 0.000 1.147 282 A CA 0.773 52.850 52.037 0.067 0.000 0.775 282 A CB 1.491 20.508 19.000 0.028 0.000 1.340 282 A HN 1.444 nan 8.150 nan 0.000 0.427 283 T N 1.409 116.015 114.554 0.087 0.000 2.794 283 T HA 0.404 4.754 4.350 -0.000 0.000 0.304 283 T C 0.171 174.904 174.700 0.056 0.000 0.973 283 T CA -0.249 61.905 62.100 0.091 0.000 0.972 283 T CB -0.832 68.085 68.868 0.082 0.000 0.952 283 T HN 0.599 nan 8.240 nan 0.000 0.509 284 M N 7.133 126.763 119.600 0.051 0.000 2.269 284 M HA 0.246 4.726 4.480 -0.000 0.000 0.350 284 M C -1.972 174.325 176.300 -0.005 0.000 1.429 284 M CA -1.227 54.066 55.300 -0.013 0.000 1.063 284 M CB 0.518 33.061 32.600 -0.096 0.000 1.841 284 M HN 0.410 nan 8.290 nan 0.000 0.455 285 P HA 0.029 nan 4.420 nan 0.000 0.270 285 P C -0.320 176.981 177.300 0.001 0.000 1.227 285 P CA -0.188 62.914 63.100 0.004 0.000 0.788 285 P CB 0.485 32.188 31.700 0.005 0.000 0.926 286 D N 0.484 120.897 120.400 0.021 0.000 2.183 286 D HA -0.103 4.537 4.640 -0.000 0.000 0.203 286 D C 1.853 178.171 176.300 0.029 0.000 0.969 286 D CA 1.463 55.483 54.000 0.032 0.000 0.842 286 D CB -0.412 40.413 40.800 0.041 0.000 0.957 286 D HN 0.341 nan 8.370 nan 0.000 0.484 287 A N 0.733 123.569 122.820 0.026 0.000 1.902 287 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 287 A C 2.532 180.125 177.584 0.015 0.000 1.181 287 A CA 1.156 53.210 52.037 0.028 0.000 0.623 287 A CB -0.712 18.307 19.000 0.031 0.000 0.818 287 A HN 0.134 nan 8.150 nan 0.000 0.443 288 V N -0.191 119.715 119.914 -0.013 0.000 2.295 288 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 288 V C 2.478 178.518 176.094 -0.091 0.000 1.049 288 V CA 1.891 64.163 62.300 -0.048 0.000 1.024 288 V CB -0.882 30.894 31.823 -0.079 0.000 0.648 288 V HN 0.580 nan 8.190 nan 0.000 0.447 289 L N 0.655 121.817 121.223 -0.103 0.000 1.990 289 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 289 L C 2.483 179.325 176.870 -0.047 0.000 1.072 289 L CA 2.593 57.347 54.840 -0.143 0.000 0.755 289 L CB -0.874 41.160 42.059 -0.041 0.000 0.889 289 L HN 0.509 nan 8.230 nan 0.000 0.432 290 E N -1.202 119.032 120.200 0.056 0.000 2.085 290 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 290 E C 1.995 178.641 176.600 0.077 0.000 0.994 290 E CA 2.063 58.528 56.400 0.109 0.000 0.801 290 E CB -0.205 29.542 29.700 0.078 0.000 0.743 290 E HN 0.745 nan 8.360 nan 0.000 0.453 291 T N -1.937 112.657 114.554 0.067 0.000 2.867 291 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 291 T C 1.942 176.704 174.700 0.104 0.000 1.057 291 T CA 1.064 63.250 62.100 0.143 0.000 1.136 291 T CB -0.405 68.568 68.868 0.174 0.000 0.874 291 T HN 0.034 nan 8.240 nan 0.000 0.466 292 V N 1.682 121.586 119.914 -0.017 0.000 2.261 292 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 292 V C 2.873 178.935 176.094 -0.053 0.000 1.047 292 V CA 1.927 64.175 62.300 -0.086 0.000 1.015 292 V CB -0.749 30.913 31.823 -0.268 0.000 0.642 292 V HN 0.598 nan 8.190 nan 0.000 0.446 293 H N -0.570 118.504 119.070 0.007 0.000 2.353 293 H HA -0.181 4.375 4.556 -0.000 0.000 0.300 293 H C 2.343 177.636 175.328 -0.059 0.000 1.090 293 H CA 2.182 58.229 56.048 -0.002 0.000 1.327 293 H CB -0.178 29.585 29.762 0.000 0.000 1.383 293 H HN 0.437 nan 8.280 nan 0.000 0.508 294 Q N 0.110 119.908 119.800 -0.005 0.000 2.084 294 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 294 Q C 1.287 177.049 176.000 -0.397 0.000 0.978 294 Q CA 1.483 57.118 55.803 -0.279 0.000 0.844 294 Q CB 0.161 28.611 28.738 -0.480 0.000 0.898 294 Q HN 0.550 nan 8.270 nan 0.000 0.426 295 H N -1.812 117.287 119.070 0.049 0.000 2.893 295 H HA 0.332 4.888 4.556 -0.000 0.000 0.270 295 H C -0.387 174.963 175.328 0.036 0.000 1.095 295 H CA -0.038 56.033 56.048 0.038 0.000 1.186 295 H CB 0.846 30.629 29.762 0.035 0.000 1.562 295 H HN 0.161 nan 8.280 nan 0.000 0.536 296 L N 3.075 124.368 121.223 0.116 0.000 2.346 296 L HA 0.376 4.715 4.340 -0.000 0.000 0.274 296 L C -2.128 174.782 176.870 0.066 0.000 1.007 296 L CA -1.858 53.034 54.840 0.087 0.000 0.818 296 L CB 2.481 44.586 42.059 0.076 0.000 1.284 296 L HN -0.056 nan 8.230 nan 0.000 0.424 297 P HA 0.422 nan 4.420 nan 0.000 0.293 297 P C -0.138 177.182 177.300 0.033 0.000 1.304 297 P CA 0.006 63.130 63.100 0.039 0.000 0.767 297 P CB 0.982 32.698 31.700 0.026 0.000 1.247 298 G N -0.861 107.944 108.800 0.008 0.000 2.781 298 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.683 298 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.683 298 G C -0.671 174.233 174.900 0.006 0.000 1.390 298 G CA -0.444 44.640 45.100 -0.027 0.000 0.850 298 G HN 0.799 nan 8.290 nan 0.000 0.557 299 E N 0.303 120.487 120.200 -0.027 0.000 2.316 299 E HA 0.359 4.709 4.350 -0.000 0.000 0.275 299 E C 0.034 176.681 176.600 0.079 0.000 1.029 299 E CA -0.551 55.873 56.400 0.040 0.000 0.871 299 E CB 0.333 30.057 29.700 0.039 0.000 1.022 299 E HN 0.295 nan 8.360 nan 0.000 0.418 300 K N 3.226 123.699 120.400 0.122 0.000 2.211 300 K HA 0.373 4.693 4.320 -0.000 0.000 0.275 300 K C -0.941 175.665 176.600 0.010 0.000 1.024 300 K CA -0.737 55.629 56.287 0.132 0.000 0.887 300 K CB 1.735 34.369 32.500 0.224 0.000 1.084 300 K HN 0.250 nan 8.250 nan 0.000 0.463 301 V N 2.706 122.469 119.914 -0.252 0.000 2.569 301 V HA 0.188 4.307 4.120 -0.000 0.000 0.301 301 V C -0.372 175.224 176.094 -0.830 0.000 1.044 301 V CA -1.116 60.992 62.300 -0.320 0.000 0.874 301 V CB 1.923 33.672 31.823 -0.122 0.000 1.002 301 V HN 0.642 nan 8.190 nan 0.000 0.424 302 N N 4.523 122.862 118.700 -0.600 0.000 2.472 302 N HA 0.439 5.179 4.740 -0.000 0.000 0.277 302 N C -1.049 174.397 175.510 -0.106 0.000 1.081 302 N CA -0.347 52.404 53.050 -0.498 0.000 0.973 302 N CB 0.917 39.372 38.487 -0.054 0.000 1.105 302 N HN 0.476 nan 8.380 nan 0.000 0.470 303 I N 4.160 124.716 120.570 -0.023 0.000 2.411 303 I HA 0.135 4.305 4.170 -0.000 0.000 0.284 303 I C -0.736 175.505 176.117 0.205 0.000 1.012 303 I CA -0.747 60.647 61.300 0.156 0.000 1.119 303 I CB 0.543 38.678 38.000 0.225 0.000 1.261 303 I HN 0.514 nan 8.210 nan 0.000 0.448 304 Y N 6.020 126.378 120.300 0.098 0.000 2.316 304 Y HA 0.651 5.201 4.550 -0.001 0.000 0.331 304 Y C 0.394 176.313 175.900 0.032 0.000 1.083 304 Y CA 0.142 58.285 58.100 0.073 0.000 1.206 304 Y CB 1.203 39.696 38.460 0.055 0.000 1.195 304 Y HN 0.641 nan 8.280 nan 0.000 0.497 305 G N 2.787 111.264 108.800 -0.539 0.000 2.684 305 G HA2 0.553 4.512 3.960 -0.000 0.000 0.290 305 G HA3 0.553 4.512 3.960 -0.000 0.000 0.290 305 G C -1.490 173.126 174.900 -0.473 0.000 1.425 305 G CA -0.635 44.212 45.100 -0.422 0.000 0.822 305 G HN 0.773 nan 8.290 nan 0.000 0.482 306 T N -3.081 111.282 114.554 -0.320 0.000 2.903 306 T HA 0.535 4.885 4.350 -0.000 0.000 0.299 306 T C 1.037 175.549 174.700 -0.314 0.000 1.093 306 T CA 0.058 62.002 62.100 -0.260 0.000 1.002 306 T CB 1.569 70.340 68.868 -0.163 0.000 1.127 306 T HN 0.308 nan 8.240 nan 0.000 0.488 307 T N 1.251 115.620 114.554 -0.309 0.000 2.699 307 T HA -0.109 4.240 4.350 -0.000 0.000 0.268 307 T C 1.570 175.992 174.700 -0.464 0.000 1.036 307 T CA 2.088 63.968 62.100 -0.366 0.000 1.147 307 T CB -0.352 68.363 68.868 -0.255 0.000 0.862 307 T HN 0.780 nan 8.240 nan 0.000 0.446 308 E N 0.850 120.641 120.200 -0.683 0.000 2.107 308 E HA 0.147 4.497 4.350 -0.000 0.000 0.191 308 E C 1.856 178.048 176.600 -0.680 0.000 0.982 308 E CA 1.069 56.804 56.400 -1.108 0.000 0.809 308 E CB -0.030 28.433 29.700 -2.061 0.000 0.756 308 E HN 0.482 nan 8.360 nan 0.000 0.459 309 A N -1.254 121.249 122.820 -0.528 0.000 2.551 309 A HA 0.477 4.797 4.320 -0.000 0.000 0.252 309 A C 0.726 178.153 177.584 -0.262 0.000 1.199 309 A CA 0.195 52.059 52.037 -0.288 0.000 0.972 309 A CB 0.046 18.974 19.000 -0.120 0.000 1.153 309 A HN 0.118 nan 8.150 nan 0.000 0.559 310 M N -0.351 119.052 119.600 -0.328 0.000 7.319 310 M HA -0.267 4.213 4.480 -0.000 0.000 0.313 310 M C 0.063 176.134 176.300 -0.380 0.000 0.480 310 M CA 2.051 57.122 55.300 -0.382 0.000 1.311 310 M CB -1.029 31.314 32.600 -0.429 0.000 0.421 310 M HN 0.612 nan 8.290 nan 0.000 0.747 311 N N 0.507 118.888 118.700 -0.531 0.000 2.419 311 N HA 0.372 5.111 4.740 -0.000 0.000 0.264 311 N C -0.559 174.883 175.510 -0.113 0.000 1.031 311 N CA 0.641 53.412 53.050 -0.465 0.000 0.951 311 N CB 0.879 38.781 38.487 -0.975 0.000 1.101 311 N HN 0.510 nan 8.380 nan 0.000 0.488 312 S N 2.948 118.698 115.700 0.082 0.000 2.549 312 S HA 0.330 4.800 4.470 -0.000 0.000 0.225 312 S C -0.121 174.614 174.600 0.224 0.000 1.039 312 S CA -0.225 58.091 58.200 0.194 0.000 0.942 312 S CB 0.487 63.860 63.200 0.288 0.000 0.881 312 S HN 0.528 nan 8.310 nan 0.000 0.503 313 L N 0.974 122.364 121.223 0.279 0.000 2.540 313 L HA 0.622 4.961 4.340 -0.000 0.000 0.256 313 L C -1.278 175.817 176.870 0.375 0.000 1.001 313 L CA -1.226 53.777 54.840 0.272 0.000 0.843 313 L CB 1.970 44.087 42.059 0.097 0.000 1.436 313 L HN 0.272 nan 8.230 nan 0.000 0.410 314 Y N 0.893 121.250 120.300 0.096 0.000 2.725 314 Y HA 0.901 5.451 4.550 -0.000 0.000 0.333 314 Y C -1.524 174.409 175.900 0.054 0.000 1.242 314 Y CA -1.916 56.230 58.100 0.076 0.000 1.059 314 Y CB 1.798 40.312 38.460 0.090 0.000 1.306 314 Y HN 0.553 nan 8.280 nan 0.000 0.454 315 M N 2.117 121.610 119.600 -0.178 0.000 2.255 315 M HA 0.488 4.968 4.480 -0.000 0.000 0.275 315 M C -1.934 174.282 176.300 -0.140 0.000 1.050 315 M CA -0.788 54.343 55.300 -0.281 0.000 0.978 315 M CB 2.099 34.639 32.600 -0.099 0.000 1.761 315 M HN 0.777 nan 8.290 nan 0.000 0.479 316 R N 3.258 123.667 120.500 -0.151 0.000 2.490 316 R HA 0.424 4.764 4.340 -0.000 0.000 0.278 316 R C -0.230 176.090 176.300 0.034 0.000 1.069 316 R CA -0.479 55.618 56.100 -0.005 0.000 1.080 316 R CB 0.526 30.843 30.300 0.029 0.000 1.030 316 R HN 0.672 nan 8.270 nan 0.000 0.491 317 Q N 0.420 120.284 119.800 0.107 0.000 2.426 317 Q HA -0.151 4.189 4.340 -0.000 0.000 0.359 317 Q C -2.127 173.984 176.000 0.185 0.000 1.381 317 Q CA 0.492 56.411 55.803 0.193 0.000 1.060 317 Q CB -1.499 27.291 28.738 0.087 0.000 1.253 317 Q HN 0.509 nan 8.270 nan 0.000 0.363 318 P HA 0.063 nan 4.420 nan 0.000 0.275 318 P C 0.261 177.729 177.300 0.280 0.000 1.227 318 P CA -0.028 63.202 63.100 0.217 0.000 0.781 318 P CB 0.786 32.623 31.700 0.228 0.000 0.906 319 K N 0.317 120.803 120.400 0.143 0.000 2.284 319 K HA 0.088 4.408 4.320 -0.000 0.000 0.198 319 K C 1.088 177.753 176.600 0.109 0.000 1.048 319 K CA 0.820 57.170 56.287 0.106 0.000 0.987 319 K CB 0.137 32.662 32.500 0.041 0.000 0.800 319 K HN 0.627 nan 8.250 nan 0.000 0.486 320 T N -3.744 110.870 114.554 0.101 0.000 2.916 320 T HA 0.439 4.789 4.350 -0.000 0.000 0.292 320 T C 0.772 175.539 174.700 0.112 0.000 1.064 320 T CA -0.823 61.329 62.100 0.087 0.000 1.011 320 T CB 2.008 70.909 68.868 0.055 0.000 1.152 320 T HN 0.036 nan 8.240 nan 0.000 0.510 321 G N -0.392 108.471 108.800 0.104 0.000 3.088 321 G HA2 0.205 4.165 3.960 -0.000 0.000 0.217 321 G HA3 0.205 4.165 3.960 -0.000 0.000 0.217 321 G C 1.080 176.047 174.900 0.112 0.000 1.159 321 G CA 0.535 45.720 45.100 0.143 0.000 0.760 321 G HN 0.977 nan 8.290 nan 0.000 0.550 322 T N -2.488 112.106 114.554 0.066 0.000 3.015 322 T HA 0.249 4.599 4.350 -0.000 0.000 0.250 322 T C 0.544 175.239 174.700 -0.007 0.000 1.057 322 T CA -0.058 62.058 62.100 0.026 0.000 1.066 322 T CB 0.463 69.333 68.868 0.003 0.000 0.959 322 T HN 0.226 nan 8.240 nan 0.000 0.488 323 E N 1.017 121.222 120.200 0.007 0.000 2.129 323 E HA 0.672 5.022 4.350 -0.000 0.000 0.268 323 E C -0.957 175.633 176.600 -0.016 0.000 0.900 323 E CA -0.272 56.117 56.400 -0.018 0.000 0.755 323 E CB 1.584 31.282 29.700 -0.003 0.000 1.117 323 E HN 0.367 nan 8.360 nan 0.000 0.410 324 M N 1.379 120.950 119.600 -0.049 0.000 2.683 324 M HA 0.738 5.218 4.480 -0.000 0.000 0.274 324 M C -1.408 174.865 176.300 -0.045 0.000 1.272 324 M CA -0.881 54.393 55.300 -0.042 0.000 0.833 324 M CB 2.435 35.039 32.600 0.007 0.000 1.708 324 M HN 0.530 nan 8.290 nan 0.000 0.463 325 A N 1.262 124.077 122.820 -0.008 0.000 2.475 325 A HA 0.938 5.258 4.320 -0.000 0.000 0.301 325 A C -2.890 174.819 177.584 0.208 0.000 1.059 325 A CA -1.565 50.519 52.037 0.079 0.000 0.710 325 A CB 1.357 20.395 19.000 0.063 0.000 1.288 325 A HN 0.408 nan 8.150 nan 0.000 0.408 326 P HA 0.283 nan 4.420 nan 0.000 0.268 326 P C 0.351 177.855 177.300 0.340 0.000 1.204 326 P CA 0.578 63.837 63.100 0.264 0.000 0.768 326 P CB 1.058 32.896 31.700 0.229 0.000 0.842 327 G N 2.037 111.019 108.800 0.303 0.000 2.828 327 G HA2 0.419 4.378 3.960 -0.000 0.000 0.244 327 G HA3 0.419 4.378 3.960 -0.000 0.000 0.244 327 G C -1.013 173.968 174.900 0.135 0.000 1.365 327 G CA -0.831 44.395 45.100 0.210 0.000 1.041 327 G HN 0.375 nan 8.290 nan 0.000 0.560 328 F N -0.629 119.271 119.950 -0.084 0.000 2.595 328 F HA 0.303 4.830 4.527 -0.000 0.000 0.359 328 F C 0.987 176.683 175.800 -0.173 0.000 1.147 328 F CA 0.965 58.824 58.000 -0.236 0.000 1.341 328 F CB 0.088 38.824 39.000 -0.440 0.000 1.104 328 F HN 0.439 nan 8.300 nan 0.000 0.603 329 F N -0.008 119.684 119.950 -0.431 0.000 2.558 329 F HA -0.311 4.216 4.527 -0.000 0.000 0.554 329 F C 0.807 176.514 175.800 -0.154 0.000 0.517 329 F CA 0.754 58.607 58.000 -0.245 0.000 1.084 329 F CB -2.043 36.942 39.000 -0.024 0.000 1.821 329 F HN 0.335 nan 8.300 nan 0.000 0.262 330 S N 0.277 116.005 115.700 0.047 0.000 2.565 330 S HA 0.599 5.069 4.470 -0.000 0.000 0.290 330 S C -0.287 174.352 174.600 0.065 0.000 1.150 330 S CA -0.624 57.626 58.200 0.083 0.000 1.058 330 S CB 2.642 65.922 63.200 0.132 0.000 1.032 330 S HN 0.311 nan 8.310 nan 0.000 0.510 331 E N 1.224 121.485 120.200 0.100 0.000 2.304 331 E HA 0.546 4.895 4.350 -0.000 0.000 0.277 331 E C -1.589 175.190 176.600 0.298 0.000 0.898 331 E CA -0.708 55.783 56.400 0.151 0.000 0.764 331 E CB 1.550 31.284 29.700 0.057 0.000 1.216 331 E HN 0.517 nan 8.360 nan 0.000 0.419 332 V N 1.168 121.298 119.914 0.361 0.000 3.130 332 V HA 0.873 4.993 4.120 -0.000 0.000 0.310 332 V C -1.099 175.207 176.094 0.353 0.000 1.158 332 V CA -0.800 61.725 62.300 0.375 0.000 1.029 332 V CB 1.960 33.911 31.823 0.215 0.000 1.057 332 V HN 0.919 nan 8.190 nan 0.000 0.436 333 R N 1.789 122.403 120.500 0.190 0.000 2.733 333 R HA 0.767 5.107 4.340 -0.000 0.000 0.272 333 R C -1.857 174.447 176.300 0.007 0.000 1.029 333 R CA -1.036 55.148 56.100 0.141 0.000 0.888 333 R CB 2.003 32.279 30.300 -0.040 0.000 1.251 333 R HN 0.679 nan 8.270 nan 0.000 0.464 334 I N 2.112 122.719 120.570 0.061 0.000 2.389 334 I HA 0.445 4.614 4.170 -0.000 0.000 0.288 334 I C -0.226 175.876 176.117 -0.026 0.000 0.999 334 I CA -1.165 60.113 61.300 -0.036 0.000 1.129 334 I CB 1.990 39.944 38.000 -0.078 0.000 1.288 334 I HN 0.527 nan 8.210 nan 0.000 0.444 335 V N 2.822 122.689 119.914 -0.078 0.000 2.960 335 V HA 0.581 4.701 4.120 -0.000 0.000 0.315 335 V C 0.111 176.173 176.094 -0.053 0.000 1.087 335 V CA -1.191 61.061 62.300 -0.081 0.000 0.982 335 V CB 1.763 33.499 31.823 -0.145 0.000 1.039 335 V HN 0.832 nan 8.190 nan 0.000 0.437 336 R N 2.082 122.558 120.500 -0.039 0.000 2.566 336 R HA 0.103 4.442 4.340 -0.000 0.000 0.273 336 R C -0.036 176.249 176.300 -0.025 0.000 0.981 336 R CA -0.335 55.751 56.100 -0.023 0.000 1.091 336 R CB 0.149 30.438 30.300 -0.019 0.000 0.924 336 R HN 0.718 nan 8.270 nan 0.000 0.411 337 I N 4.136 124.699 120.570 -0.012 0.000 2.741 337 I HA -0.060 4.110 4.170 -0.000 0.000 0.288 337 I C 1.612 177.724 176.117 -0.009 0.000 1.192 337 I CA 1.467 62.762 61.300 -0.008 0.000 1.426 337 I CB -0.304 37.700 38.000 0.006 0.000 1.367 337 I HN 1.038 nan 8.210 nan 0.000 0.563 338 G N 4.393 113.186 108.800 -0.011 0.000 2.155 338 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.257 338 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.257 338 G C 0.525 175.419 174.900 -0.010 0.000 0.983 338 G CA 0.202 45.298 45.100 -0.006 0.000 0.676 338 G HN 1.096 nan 8.290 nan 0.000 0.528 339 G N -0.959 107.828 108.800 -0.022 0.000 2.887 339 G HA2 0.807 4.766 3.960 -0.000 0.000 0.277 339 G HA3 0.807 4.766 3.960 -0.000 0.000 0.277 339 G C 0.627 175.505 174.900 -0.038 0.000 1.346 339 G CA 0.039 45.123 45.100 -0.026 0.000 1.058 339 G HN 1.170 nan 8.290 nan 0.000 0.535 340 G N -1.637 107.139 108.800 -0.040 0.000 2.569 340 G HA2 0.424 4.384 3.960 -0.000 0.000 0.249 340 G HA3 0.424 4.384 3.960 -0.000 0.000 0.249 340 G C 1.305 176.142 174.900 -0.104 0.000 1.216 340 G CA 0.351 45.422 45.100 -0.049 0.000 0.845 340 G HN 1.294 nan 8.290 nan 0.000 0.568 341 V N -1.608 118.222 119.914 -0.139 0.000 2.913 341 V HA -0.034 4.086 4.120 -0.000 0.000 0.260 341 V C 1.280 177.154 176.094 -0.368 0.000 1.098 341 V CA 1.997 64.100 62.300 -0.330 0.000 1.121 341 V CB -0.283 31.299 31.823 -0.402 0.000 0.714 341 V HN 0.449 nan 8.190 nan 0.000 0.487 342 D N 0.333 120.627 120.400 -0.177 0.000 2.339 342 D HA 0.089 4.729 4.640 -0.000 0.000 0.217 342 D C 0.893 177.138 176.300 -0.092 0.000 1.050 342 D CA 0.312 54.243 54.000 -0.115 0.000 0.856 342 D CB 0.032 40.810 40.800 -0.036 0.000 0.922 342 D HN 0.643 nan 8.370 nan 0.000 0.518 343 E N 1.601 121.743 120.200 -0.096 0.000 2.148 343 E HA 0.064 4.413 4.350 -0.000 0.000 0.308 343 E C 0.270 176.833 176.600 -0.062 0.000 1.278 343 E CA -0.201 56.160 56.400 -0.064 0.000 1.368 343 E CB 0.304 29.973 29.700 -0.051 0.000 1.229 343 E HN 0.152 nan 8.360 nan 0.000 0.494 344 I N 2.018 122.555 120.570 -0.055 0.000 2.692 344 I HA -0.024 4.146 4.170 -0.000 0.000 0.284 344 I C 1.059 177.175 176.117 -0.002 0.000 1.159 344 I CA -0.054 61.229 61.300 -0.029 0.000 1.423 344 I CB -0.115 37.874 38.000 -0.020 0.000 1.380 344 I HN 0.014 nan 8.210 nan 0.000 0.580 345 V N 2.783 122.714 119.914 0.028 0.000 3.083 345 V HA 0.581 4.701 4.120 -0.000 0.000 0.306 345 V C 0.750 176.872 176.094 0.047 0.000 1.077 345 V CA -1.041 61.283 62.300 0.039 0.000 1.073 345 V CB 1.046 32.902 31.823 0.055 0.000 1.081 345 V HN 0.875 nan 8.190 nan 0.000 0.474 346 A N 3.373 126.214 122.820 0.035 0.000 2.655 346 A HA 0.351 4.670 4.320 -0.000 0.000 0.297 346 A C 0.647 178.265 177.584 0.057 0.000 1.461 346 A CA -0.222 51.832 52.037 0.028 0.000 1.146 346 A CB -1.821 17.188 19.000 0.016 0.000 1.108 346 A HN 1.271 nan 8.150 nan 0.000 0.550 347 N N 1.886 120.629 118.700 0.073 0.000 2.219 347 N HA 0.234 4.973 4.740 -0.000 0.000 0.263 347 N C 1.084 176.670 175.510 0.128 0.000 1.269 347 N CA 1.058 54.204 53.050 0.160 0.000 0.831 347 N CB 0.245 38.786 38.487 0.089 0.000 1.059 347 N HN 1.235 nan 8.380 nan 0.000 0.475 348 G N 0.378 109.272 108.800 0.156 0.000 2.313 348 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.215 348 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.215 348 G C -0.097 174.848 174.900 0.075 0.000 1.023 348 G CA 0.183 45.341 45.100 0.097 0.000 0.626 348 G HN 1.002 nan 8.290 nan 0.000 0.503 349 E N 1.562 121.806 120.200 0.073 0.000 2.343 349 E HA 0.480 4.830 4.350 -0.000 0.000 0.269 349 E C -0.025 176.609 176.600 0.057 0.000 1.047 349 E CA -0.398 56.036 56.400 0.057 0.000 0.874 349 E CB 0.465 30.191 29.700 0.044 0.000 1.033 349 E HN 0.491 nan 8.360 nan 0.000 0.409 350 E N 1.508 121.738 120.200 0.051 0.000 2.313 350 E HA 0.492 4.842 4.350 -0.000 0.000 0.272 350 E C -0.118 176.499 176.600 0.029 0.000 1.038 350 E CA -0.421 56.004 56.400 0.043 0.000 0.863 350 E CB 1.637 31.392 29.700 0.092 0.000 1.060 350 E HN 0.657 nan 8.360 nan 0.000 0.402 351 G N 1.248 110.049 108.800 0.002 0.000 2.634 351 G HA2 0.163 4.123 3.960 -0.000 0.000 0.309 351 G HA3 0.163 4.123 3.960 -0.000 0.000 0.309 351 G C -1.453 173.426 174.900 -0.036 0.000 1.299 351 G CA -0.701 44.393 45.100 -0.010 0.000 0.798 351 G HN 0.476 nan 8.290 nan 0.000 0.490 352 E N -0.196 119.975 120.200 -0.048 0.000 2.227 352 E HA 0.409 4.759 4.350 -0.000 0.000 0.282 352 E C -0.698 175.843 176.600 -0.098 0.000 1.015 352 E CA -0.688 55.674 56.400 -0.063 0.000 0.823 352 E CB 1.350 31.017 29.700 -0.056 0.000 1.081 352 E HN 0.348 nan 8.360 nan 0.000 0.396 353 L N 7.082 128.237 121.223 -0.114 0.000 2.410 353 L HA 0.260 4.600 4.340 -0.000 0.000 0.273 353 L C -0.538 176.286 176.870 -0.078 0.000 1.144 353 L CA 0.407 55.169 54.840 -0.131 0.000 0.863 353 L CB 0.230 42.173 42.059 -0.193 0.000 1.140 353 L HN 0.460 nan 8.230 nan 0.000 0.463 354 I N 4.327 124.869 120.570 -0.047 0.000 2.730 354 I HA 0.815 4.985 4.170 -0.000 0.000 0.298 354 I C -0.985 175.285 176.117 0.255 0.000 1.089 354 I CA -0.981 60.341 61.300 0.037 0.000 1.041 354 I CB 2.234 40.192 38.000 -0.069 0.000 1.235 354 I HN 0.465 nan 8.210 nan 0.000 0.423 355 V N 2.043 122.219 119.914 0.437 0.000 2.876 355 V HA 0.930 5.050 4.120 -0.000 0.000 0.312 355 V C 0.250 176.626 176.094 0.470 0.000 1.085 355 V CA -0.497 62.087 62.300 0.474 0.000 0.945 355 V CB 1.332 33.349 31.823 0.323 0.000 1.017 355 V HN 1.193 nan 8.190 nan 0.000 0.428 356 A N 2.846 125.729 122.820 0.106 0.000 2.462 356 A HA 0.720 5.040 4.320 -0.000 0.000 0.243 356 A C 0.711 178.221 177.584 -0.124 0.000 1.076 356 A CA 0.207 51.996 52.037 -0.413 0.000 0.773 356 A CB 0.291 18.914 19.000 -0.629 0.000 1.010 356 A HN 2.361 nan 8.150 nan 0.000 0.493 357 A N 3.068 125.799 122.820 -0.147 0.000 2.621 357 A HA 0.562 4.882 4.320 -0.000 0.000 0.329 357 A C 0.829 178.350 177.584 -0.104 0.000 1.458 357 A CA 0.179 52.194 52.037 -0.037 0.000 1.052 357 A CB -0.676 18.346 19.000 0.037 0.000 1.142 357 A HN 1.424 nan 8.150 nan 0.000 0.523 358 S N 0.972 116.615 115.700 -0.095 0.000 3.362 358 S HA 0.374 4.844 4.470 -0.000 0.000 0.235 358 S C 0.546 175.092 174.600 -0.090 0.000 1.026 358 S CA -0.022 58.119 58.200 -0.099 0.000 1.257 358 S CB 0.036 63.179 63.200 -0.095 0.000 1.187 358 S HN 0.338 nan 8.310 nan 0.000 0.660 359 D N 2.078 122.424 120.400 -0.090 0.000 2.149 359 D HA -0.061 4.579 4.640 -0.000 0.000 0.198 359 D C 2.216 178.425 176.300 -0.151 0.000 0.990 359 D CA 1.844 55.780 54.000 -0.106 0.000 0.839 359 D CB -0.571 40.168 40.800 -0.101 0.000 0.948 359 D HN 0.569 nan 8.370 nan 0.000 0.460 360 S N -0.094 115.490 115.700 -0.193 0.000 2.481 360 S HA 0.130 4.600 4.470 -0.000 0.000 0.231 360 S C 1.118 175.601 174.600 -0.194 0.000 0.996 360 S CA 0.229 58.280 58.200 -0.249 0.000 0.942 360 S CB -0.114 62.913 63.200 -0.288 0.000 0.768 360 S HN 0.215 nan 8.310 nan 0.000 0.520 361 A N 2.191 124.940 122.820 -0.119 0.000 2.407 361 A HA 0.510 4.829 4.320 -0.000 0.000 0.248 361 A C 0.307 177.905 177.584 0.023 0.000 1.082 361 A CA -0.816 51.195 52.037 -0.042 0.000 0.785 361 A CB -0.425 18.576 19.000 0.003 0.000 1.020 361 A HN 0.694 nan 8.150 nan 0.000 0.489 362 F N 1.229 121.029 119.950 -0.249 0.000 2.535 362 F HA 0.364 4.892 4.527 0.001 0.000 0.332 362 F C 1.113 176.802 175.800 -0.184 0.000 1.208 362 F CA -0.349 57.521 58.000 -0.218 0.000 1.330 362 F CB 0.525 39.353 39.000 -0.288 0.000 1.167 362 F HN 0.350 nan 8.300 nan 0.000 0.597 363 V N -0.988 118.708 119.914 -0.363 0.000 3.621 363 V HA 0.678 4.798 4.120 -0.000 0.000 0.285 363 V C 0.549 176.260 176.094 -0.638 0.000 1.346 363 V CA 0.290 62.327 62.300 -0.439 0.000 1.104 363 V CB -0.798 30.904 31.823 -0.202 0.000 0.913 363 V HN 1.512 nan 8.190 nan 0.000 0.432 364 G N -0.941 107.252 108.800 -1.013 0.000 2.353 364 G HA2 0.253 4.213 3.960 -0.000 0.000 0.308 364 G HA3 0.253 4.213 3.960 -0.000 0.000 0.308 364 G C -1.630 173.075 174.900 -0.324 0.000 1.418 364 G CA -0.867 43.768 45.100 -0.775 0.000 0.966 364 G HN 0.113 nan 8.290 nan 0.000 0.638 365 Y N -0.269 120.097 120.300 0.110 0.000 2.313 365 Y HA 0.551 5.101 4.550 -0.000 0.000 0.332 365 Y C 0.918 176.847 175.900 0.048 0.000 1.071 365 Y CA -0.764 57.424 58.100 0.147 0.000 1.169 365 Y CB 1.604 40.165 38.460 0.169 0.000 1.192 365 Y HN 0.588 nan 8.280 nan 0.000 0.487 366 L N 4.712 126.040 121.223 0.176 0.000 2.513 366 L HA 0.069 4.408 4.340 -0.000 0.000 0.272 366 L C 0.403 177.330 176.870 0.096 0.000 1.187 366 L CA 0.348 55.242 54.840 0.090 0.000 0.895 366 L CB -0.599 41.490 42.059 0.050 0.000 1.147 366 L HN 0.870 nan 8.230 nan 0.000 0.483 367 N N 2.634 121.376 118.700 0.071 0.000 2.714 367 N HA -0.256 4.484 4.740 -0.000 0.000 0.250 367 N C -0.733 174.820 175.510 0.072 0.000 1.117 367 N CA 0.968 54.054 53.050 0.060 0.000 0.719 367 N CB -0.859 37.658 38.487 0.050 0.000 1.081 367 N HN 0.769 nan 8.380 nan 0.000 0.557 368 Q N -1.273 118.590 119.800 0.105 0.000 3.075 368 Q HA 0.170 4.510 4.340 -0.000 0.000 0.318 368 Q C -2.056 174.027 176.000 0.137 0.000 0.907 368 Q CA -1.475 54.393 55.803 0.108 0.000 0.882 368 Q CB 1.223 30.018 28.738 0.096 0.000 1.386 368 Q HN 0.157 nan 8.270 nan 0.000 0.408 369 P HA -0.173 nan 4.420 nan 0.000 0.222 369 P C 1.230 178.586 177.300 0.093 0.000 1.147 369 P CA 1.416 64.565 63.100 0.082 0.000 0.790 369 P CB 0.334 32.063 31.700 0.048 0.000 0.780 370 E N 0.496 120.748 120.200 0.086 0.000 2.046 370 E HA -0.051 4.299 4.350 -0.000 0.000 0.190 370 E C 2.201 178.869 176.600 0.113 0.000 0.982 370 E CA 1.368 57.816 56.400 0.080 0.000 0.800 370 E CB -1.527 28.206 29.700 0.055 0.000 0.756 370 E HN 0.261 nan 8.360 nan 0.000 0.449 371 A N 0.720 123.617 122.820 0.128 0.000 1.933 371 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 371 A C 2.649 180.465 177.584 0.387 0.000 1.175 371 A CA 2.381 54.519 52.037 0.167 0.000 0.628 371 A CB -0.943 18.059 19.000 0.004 0.000 0.814 371 A HN 0.448 nan 8.150 nan 0.000 0.444 372 T N 0.408 115.218 114.554 0.427 0.000 2.684 372 T HA -0.065 4.284 4.350 -0.000 0.000 0.267 372 T C 2.134 176.960 174.700 0.211 0.000 1.036 372 T CA 1.657 63.961 62.100 0.340 0.000 1.148 372 T CB -0.417 68.525 68.868 0.123 0.000 0.863 372 T HN 0.600 nan 8.240 nan 0.000 0.436 373 A N 1.207 124.117 122.820 0.150 0.000 2.119 373 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 373 A C 2.099 179.756 177.584 0.123 0.000 1.153 373 A CA 1.045 53.147 52.037 0.107 0.000 0.692 373 A CB -0.381 18.663 19.000 0.074 0.000 0.799 373 A HN 0.569 nan 8.150 nan 0.000 0.458 374 E N -0.564 119.728 120.200 0.153 0.000 2.216 374 E HA -0.074 4.275 4.350 -0.000 0.000 0.192 374 E C 1.485 178.183 176.600 0.163 0.000 0.988 374 E CA 0.645 57.126 56.400 0.135 0.000 0.834 374 E CB 0.088 29.861 29.700 0.121 0.000 0.772 374 E HN 0.304 nan 8.360 nan 0.000 0.479 375 K N -0.052 120.507 120.400 0.265 0.000 2.287 375 K HA 0.196 4.516 4.320 -0.000 0.000 0.199 375 K C 0.586 177.394 176.600 0.347 0.000 1.061 375 K CA 0.264 56.754 56.287 0.338 0.000 0.976 375 K CB 0.617 33.517 32.500 0.666 0.000 0.898 375 K HN 0.067 nan 8.250 nan 0.000 0.492 376 L N 2.987 124.385 121.223 0.292 0.000 2.283 376 L HA 0.283 4.622 4.340 -0.000 0.000 0.281 376 L C -0.734 176.223 176.870 0.146 0.000 1.033 376 L CA -0.203 54.766 54.840 0.215 0.000 0.848 376 L CB 1.046 43.137 42.059 0.054 0.000 1.226 376 L HN -0.041 nan 8.230 nan 0.000 0.429 377 Q N 3.388 123.295 119.800 0.179 0.000 2.290 377 Q HA 0.222 4.562 4.340 -0.000 0.000 0.269 377 Q C -0.947 175.188 176.000 0.224 0.000 1.016 377 Q CA -0.818 55.079 55.803 0.158 0.000 0.754 377 Q CB 2.292 31.106 28.738 0.128 0.000 1.247 377 Q HN 0.475 nan 8.270 nan 0.000 0.451 378 D N 1.806 122.306 120.400 0.167 0.000 2.772 378 D HA -0.209 4.431 4.640 -0.000 0.000 0.233 378 D C 0.768 177.195 176.300 0.211 0.000 1.143 378 D CA 1.691 55.804 54.000 0.189 0.000 0.700 378 D CB -1.016 39.912 40.800 0.214 0.000 1.076 378 D HN 1.153 nan 8.370 nan 0.000 0.430 379 G N -1.811 107.036 108.800 0.078 0.000 2.175 379 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.244 379 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.244 379 G C -0.082 174.656 174.900 -0.270 0.000 0.982 379 G CA 0.295 45.318 45.100 -0.129 0.000 0.641 379 G HN 0.283 nan 8.290 nan 0.000 0.527 380 W N -0.681 120.659 121.300 0.067 0.000 2.689 380 W HA 0.717 5.377 4.660 -0.000 0.000 0.340 380 W C -0.137 176.473 176.519 0.153 0.000 1.060 380 W CA -1.557 55.843 57.345 0.092 0.000 1.218 380 W CB 0.866 30.360 29.460 0.056 0.000 1.410 380 W HN 0.154 nan 8.180 nan 0.000 0.528 381 Y N 3.111 123.599 120.300 0.313 0.000 2.328 381 Y HA 0.515 5.065 4.550 -0.001 0.000 0.337 381 Y C 0.037 176.083 175.900 0.244 0.000 1.008 381 Y CA -1.480 56.774 58.100 0.257 0.000 1.129 381 Y CB 0.703 39.288 38.460 0.208 0.000 1.185 381 Y HN 0.355 nan 8.280 nan 0.000 0.476 382 R N 3.948 124.103 120.500 -0.575 0.000 2.221 382 R HA 0.175 4.515 4.340 -0.000 0.000 0.327 382 R C 1.013 176.826 176.300 -0.811 0.000 1.033 382 R CA 0.369 56.185 56.100 -0.474 0.000 0.887 382 R CB 0.847 31.034 30.300 -0.188 0.000 1.057 382 R HN 0.892 nan 8.270 nan 0.000 0.455 383 T N -1.609 112.686 114.554 -0.433 0.000 3.023 383 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 383 T C 0.931 175.609 174.700 -0.037 0.000 1.093 383 T CA 0.469 62.454 62.100 -0.192 0.000 1.129 383 T CB -0.003 68.936 68.868 0.119 0.000 0.899 383 T HN 0.593 nan 8.240 nan 0.000 0.491 384 S N 0.853 116.520 115.700 -0.056 0.000 3.382 384 S HA -0.124 4.346 4.470 -0.000 0.000 0.293 384 S C -0.486 174.137 174.600 0.038 0.000 1.262 384 S CA 0.895 59.098 58.200 0.004 0.000 0.969 384 S CB -1.691 61.527 63.200 0.030 0.000 1.136 384 S HN 0.746 nan 8.310 nan 0.000 0.635 385 D N 0.827 121.252 120.400 0.042 0.000 2.163 385 D HA 0.516 5.156 4.640 -0.000 0.000 0.248 385 D C 0.237 176.531 176.300 -0.009 0.000 1.035 385 D CA -0.332 53.694 54.000 0.044 0.000 0.872 385 D CB 1.480 42.333 40.800 0.089 0.000 1.183 385 D HN 0.115 nan 8.370 nan 0.000 0.445 386 V N 1.047 120.958 119.914 -0.005 0.000 2.546 386 V HA 0.675 4.795 4.120 -0.000 0.000 0.284 386 V C 0.484 176.500 176.094 -0.130 0.000 1.050 386 V CA -0.320 61.963 62.300 -0.028 0.000 0.981 386 V CB 0.942 32.822 31.823 0.095 0.000 0.990 386 V HN 0.733 nan 8.190 nan 0.000 0.474 387 A N 4.010 126.741 122.820 -0.149 0.000 2.569 387 A HA 0.929 5.248 4.320 -0.000 0.000 0.290 387 A C -1.249 176.220 177.584 -0.193 0.000 1.136 387 A CA -0.671 51.233 52.037 -0.222 0.000 0.710 387 A CB 2.267 21.076 19.000 -0.318 0.000 1.303 387 A HN 0.983 nan 8.150 nan 0.000 0.413 388 V N -0.317 119.467 119.914 -0.216 0.000 2.888 388 V HA 0.596 4.716 4.120 -0.000 0.000 0.309 388 V C -1.840 174.157 176.094 -0.161 0.000 1.114 388 V CA -0.714 61.507 62.300 -0.131 0.000 0.940 388 V CB 1.736 33.540 31.823 -0.032 0.000 1.021 388 V HN 0.898 nan 8.190 nan 0.000 0.426 389 W N 4.541 125.825 121.300 -0.027 0.000 2.303 389 W HA 0.448 5.108 4.660 -0.001 0.000 0.318 389 W C 1.120 177.629 176.519 -0.016 0.000 1.362 389 W CA 0.114 57.445 57.345 -0.023 0.000 1.234 389 W CB 1.093 30.542 29.460 -0.019 0.000 1.248 389 W HN 0.758 nan 8.180 nan 0.000 0.546 390 T N 1.132 115.832 114.554 0.243 0.000 2.882 390 T HA 0.193 4.543 4.350 -0.000 0.000 0.287 390 T C -1.640 173.145 174.700 0.142 0.000 1.014 390 T CA -1.570 60.616 62.100 0.144 0.000 1.049 390 T CB 1.322 70.246 68.868 0.093 0.000 1.001 390 T HN 0.171 nan 8.240 nan 0.000 0.525 391 P HA -0.039 nan 4.420 nan 0.000 0.223 391 P C 0.641 177.971 177.300 0.050 0.000 1.144 391 P CA 0.856 63.990 63.100 0.057 0.000 0.783 391 P CB -0.057 31.666 31.700 0.040 0.000 0.771 392 E N -1.445 118.794 120.200 0.065 0.000 2.494 392 E HA 0.240 4.590 4.350 -0.000 0.000 0.193 392 E C 1.463 178.109 176.600 0.077 0.000 1.074 392 E CA 0.593 57.027 56.400 0.056 0.000 0.867 392 E CB -0.861 28.868 29.700 0.048 0.000 0.924 392 E HN 0.142 nan 8.360 nan 0.000 0.502 393 G N 1.052 109.921 108.800 0.114 0.000 2.148 393 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.254 393 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.254 393 G C 0.524 175.626 174.900 0.336 0.000 0.981 393 G CA 0.699 45.884 45.100 0.143 0.000 0.670 393 G HN 0.433 nan 8.290 nan 0.000 0.528 394 T N -2.470 112.265 114.554 0.302 0.000 2.944 394 T HA 0.697 5.047 4.350 -0.000 0.000 0.284 394 T C 0.035 174.799 174.700 0.106 0.000 1.010 394 T CA -0.479 61.754 62.100 0.221 0.000 1.025 394 T CB 2.692 71.604 68.868 0.073 0.000 1.079 394 T HN 0.717 nan 8.240 nan 0.000 0.516 395 V N 2.120 121.912 119.914 -0.204 0.000 2.385 395 V HA 0.411 4.531 4.120 -0.000 0.000 0.269 395 V C 0.628 176.560 176.094 -0.270 0.000 1.043 395 V CA -0.768 61.237 62.300 -0.491 0.000 0.906 395 V CB 0.602 32.022 31.823 -0.672 0.000 0.995 395 V HN 0.872 nan 8.190 nan 0.000 0.467 396 R N 5.493 125.862 120.500 -0.218 0.000 2.202 396 R HA 0.391 4.731 4.340 -0.000 0.000 0.334 396 R C -0.509 175.674 176.300 -0.195 0.000 1.036 396 R CA -0.630 55.380 56.100 -0.151 0.000 0.878 396 R CB 0.461 30.707 30.300 -0.089 0.000 1.067 396 R HN 0.539 nan 8.270 nan 0.000 0.457 397 I N 7.065 127.532 120.570 -0.172 0.000 2.471 397 I HA -0.013 4.156 4.170 -0.000 0.000 0.286 397 I C 1.025 177.049 176.117 -0.155 0.000 1.079 397 I CA 0.205 61.403 61.300 -0.170 0.000 1.398 397 I CB 1.047 38.983 38.000 -0.107 0.000 1.403 397 I HN 0.850 nan 8.210 nan 0.000 0.530 398 L N 5.118 126.204 121.223 -0.229 0.000 2.388 398 L HA 0.419 4.759 4.340 -0.000 0.000 0.209 398 L C 1.009 177.687 176.870 -0.320 0.000 1.061 398 L CA 0.297 54.898 54.840 -0.399 0.000 0.834 398 L CB 0.213 41.784 42.059 -0.813 0.000 1.029 398 L HN 0.848 nan 8.230 nan 0.000 0.473 399 G N -0.545 108.161 108.800 -0.157 0.000 2.337 399 G HA2 0.095 4.055 3.960 -0.000 0.000 0.298 399 G HA3 0.095 4.055 3.960 -0.000 0.000 0.298 399 G C -1.416 173.529 174.900 0.074 0.000 1.335 399 G CA -0.998 44.113 45.100 0.019 0.000 0.875 399 G HN -0.187 nan 8.290 nan 0.000 0.579 400 R N 0.002 120.562 120.500 0.099 0.000 2.537 400 R HA 0.252 4.592 4.340 -0.000 0.000 0.280 400 R C 1.597 177.959 176.300 0.104 0.000 1.058 400 R CA -0.148 56.006 56.100 0.090 0.000 1.057 400 R CB 1.321 31.667 30.300 0.076 0.000 0.973 400 R HN 0.329 nan 8.270 nan 0.000 0.438 401 V N 2.443 122.404 119.914 0.079 0.000 2.332 401 V HA -0.287 3.832 4.120 -0.000 0.000 0.248 401 V C 1.893 178.019 176.094 0.053 0.000 1.055 401 V CA 2.369 64.710 62.300 0.069 0.000 1.038 401 V CB -0.493 31.356 31.823 0.043 0.000 0.651 401 V HN 0.772 nan 8.190 nan 0.000 0.450 402 D N -0.353 120.075 120.400 0.047 0.000 2.178 402 D HA -0.164 4.476 4.640 -0.000 0.000 0.202 402 D C 1.622 177.942 176.300 0.034 0.000 0.974 402 D CA 1.069 55.090 54.000 0.035 0.000 0.841 402 D CB -0.041 40.778 40.800 0.031 0.000 0.953 402 D HN 0.423 nan 8.370 nan 0.000 0.478 403 D N -0.339 120.090 120.400 0.048 0.000 2.323 403 D HA -0.023 4.617 4.640 -0.000 0.000 0.209 403 D C 0.817 177.138 176.300 0.035 0.000 0.973 403 D CA 0.048 54.075 54.000 0.044 0.000 0.874 403 D CB -0.230 40.605 40.800 0.060 0.000 0.930 403 D HN 0.345 nan 8.370 nan 0.000 0.521 404 M N 1.228 120.849 119.600 0.034 0.000 2.248 404 M HA 0.089 4.568 4.480 -0.000 0.000 0.345 404 M C -0.502 175.769 176.300 -0.049 0.000 1.243 404 M CA 0.398 55.676 55.300 -0.036 0.000 1.090 404 M CB 0.557 33.128 32.600 -0.048 0.000 1.683 404 M HN -0.230 nan 8.290 nan 0.000 0.450 405 I N 5.244 125.767 120.570 -0.078 0.000 2.412 405 I HA 0.450 4.619 4.170 -0.000 0.000 0.296 405 I C 0.099 176.204 176.117 -0.020 0.000 0.987 405 I CA -0.574 60.707 61.300 -0.031 0.000 1.180 405 I CB 1.633 39.624 38.000 -0.014 0.000 1.340 405 I HN 0.663 nan 8.210 nan 0.000 0.455 406 I N 3.438 124.016 120.570 0.013 0.000 2.371 406 I HA 0.606 4.776 4.170 -0.000 0.000 0.282 406 I C -0.035 176.134 176.117 0.087 0.000 1.031 406 I CA -0.157 61.165 61.300 0.037 0.000 1.180 406 I CB 1.106 39.122 38.000 0.026 0.000 1.336 406 I HN 0.566 nan 8.210 nan 0.000 0.467 407 S N 4.423 120.205 115.700 0.137 0.000 2.707 407 S HA 0.672 5.141 4.470 -0.000 0.000 0.312 407 S C 0.801 175.569 174.600 0.280 0.000 1.116 407 S CA 0.330 58.678 58.200 0.247 0.000 1.078 407 S CB 0.454 63.812 63.200 0.263 0.000 0.997 407 S HN 2.671 nan 8.310 nan 0.000 0.477 408 G N 3.259 112.252 108.800 0.321 0.000 2.386 408 G HA2 0.000 3.960 3.960 -0.000 0.000 0.295 408 G HA3 0.000 3.960 3.960 -0.000 0.000 0.295 408 G C 1.176 176.055 174.900 -0.035 0.000 0.979 408 G CA 0.542 45.690 45.100 0.079 0.000 1.193 408 G HN 2.151 nan 8.290 nan 0.000 0.508 409 G N -1.300 107.499 108.800 -0.002 0.000 2.155 409 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.257 409 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.257 409 G C 0.053 174.922 174.900 -0.051 0.000 0.983 409 G CA 0.914 45.991 45.100 -0.039 0.000 0.676 409 G HN 1.052 nan 8.290 nan 0.000 0.528 410 E N 0.466 120.655 120.200 -0.019 0.000 2.222 410 E HA 0.328 4.677 4.350 -0.000 0.000 0.267 410 E C -0.565 176.067 176.600 0.052 0.000 0.884 410 E CA -0.989 55.407 56.400 -0.007 0.000 0.764 410 E CB 1.083 30.765 29.700 -0.030 0.000 1.169 410 E HN 0.240 nan 8.360 nan 0.000 0.413 411 N N 2.299 121.017 118.700 0.029 0.000 2.497 411 N HA 0.250 4.989 4.740 -0.000 0.000 0.268 411 N C -0.252 175.221 175.510 -0.061 0.000 1.171 411 N CA 0.295 53.305 53.050 -0.066 0.000 0.948 411 N CB 0.675 39.109 38.487 -0.089 0.000 1.069 411 N HN 0.375 nan 8.380 nan 0.000 0.460 412 I N 2.140 122.600 120.570 -0.183 0.000 2.499 412 I HA 0.150 4.320 4.170 -0.000 0.000 0.288 412 I C -0.543 175.413 176.117 -0.268 0.000 1.048 412 I CA -0.717 60.511 61.300 -0.121 0.000 1.062 412 I CB 1.555 39.562 38.000 0.012 0.000 1.238 412 I HN 0.312 nan 8.210 nan 0.000 0.426 413 H N 6.713 125.804 119.070 0.035 0.000 2.556 413 H HA 0.213 4.769 4.556 -0.000 0.000 0.310 413 H C -1.884 173.452 175.328 0.014 0.000 1.057 413 H CA -1.792 54.272 56.048 0.026 0.000 1.264 413 H CB 1.633 31.410 29.762 0.025 0.000 1.404 413 H HN 0.316 nan 8.280 nan 0.000 0.462 414 P HA -0.209 nan 4.420 nan 0.000 0.216 414 P C 1.710 179.050 177.300 0.067 0.000 1.153 414 P CA 1.693 64.828 63.100 0.057 0.000 0.858 414 P CB 0.251 31.977 31.700 0.044 0.000 0.789 415 S N -0.133 115.618 115.700 0.086 0.000 2.387 415 S HA -0.268 4.201 4.470 -0.000 0.000 0.230 415 S C 2.068 176.704 174.600 0.060 0.000 1.035 415 S CA 1.518 59.757 58.200 0.066 0.000 1.014 415 S CB -1.312 61.924 63.200 0.060 0.000 0.836 415 S HN 0.265 nan 8.310 nan 0.000 0.466 416 E N 1.086 121.329 120.200 0.072 0.000 2.077 416 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 416 E C 1.937 178.566 176.600 0.048 0.000 0.989 416 E CA 1.394 57.827 56.400 0.055 0.000 0.800 416 E CB -0.216 29.520 29.700 0.060 0.000 0.746 416 E HN 0.689 nan 8.360 nan 0.000 0.452 417 I N 0.810 121.407 120.570 0.044 0.000 2.406 417 I HA -0.174 3.996 4.170 -0.000 0.000 0.249 417 I C 2.147 178.301 176.117 0.062 0.000 1.122 417 I CA 0.872 62.198 61.300 0.043 0.000 1.431 417 I CB -0.122 37.889 38.000 0.018 0.000 1.087 417 I HN 0.057 nan 8.210 nan 0.000 0.424 418 E N 0.666 120.898 120.200 0.053 0.000 2.118 418 E HA -0.268 4.081 4.350 -0.000 0.000 0.195 418 E C 2.230 178.863 176.600 0.056 0.000 0.992 418 E CA 0.958 57.390 56.400 0.052 0.000 0.804 418 E CB -0.179 29.547 29.700 0.043 0.000 0.741 418 E HN 0.341 nan 8.360 nan 0.000 0.458 419 R N 0.839 121.373 120.500 0.057 0.000 2.083 419 R HA -0.171 4.169 4.340 -0.000 0.000 0.237 419 R C 2.152 178.503 176.300 0.086 0.000 1.137 419 R CA 1.605 57.741 56.100 0.060 0.000 0.951 419 R CB -0.204 30.127 30.300 0.053 0.000 0.851 419 R HN 0.061 nan 8.270 nan 0.000 0.434 420 V N 1.341 121.320 119.914 0.109 0.000 2.283 420 V HA -0.215 3.905 4.120 -0.000 0.000 0.243 420 V C 2.436 178.678 176.094 0.247 0.000 1.039 420 V CA 1.616 64.029 62.300 0.188 0.000 1.016 420 V CB -0.440 31.485 31.823 0.171 0.000 0.650 420 V HN 0.327 nan 8.190 nan 0.000 0.449 421 L N 0.733 122.054 121.223 0.163 0.000 2.127 421 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 421 L C 2.601 179.452 176.870 -0.032 0.000 1.089 421 L CA 1.556 56.439 54.840 0.072 0.000 0.757 421 L CB -1.076 41.041 42.059 0.096 0.000 0.899 421 L HN 0.496 nan 8.230 nan 0.000 0.434 422 G N -0.482 108.328 108.800 0.015 0.000 2.462 422 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.220 422 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.220 422 G C 1.562 176.446 174.900 -0.026 0.000 1.121 422 G CA 1.325 46.422 45.100 -0.005 0.000 0.758 422 G HN 0.476 nan 8.290 nan 0.000 0.559 423 T N -1.880 112.678 114.554 0.007 0.000 3.129 423 T HA 0.598 4.947 4.350 -0.000 0.000 0.251 423 T C 1.046 175.669 174.700 -0.129 0.000 1.117 423 T CA 0.435 62.556 62.100 0.036 0.000 1.034 423 T CB 0.191 69.170 68.868 0.184 0.000 0.968 423 T HN 0.364 nan 8.240 nan 0.000 0.526 424 A N 2.776 125.298 122.820 -0.498 0.000 2.388 424 A HA 0.593 4.913 4.320 -0.000 0.000 0.257 424 A C -2.459 174.878 177.584 -0.412 0.000 1.095 424 A CA -1.635 49.816 52.037 -0.978 0.000 0.791 424 A CB -0.046 18.190 19.000 -1.273 0.000 1.029 424 A HN 0.275 nan 8.150 nan 0.000 0.489 425 P HA 0.336 nan 4.420 nan 0.000 0.271 425 P C 0.908 178.128 177.300 -0.133 0.000 1.220 425 P CA 1.481 64.501 63.100 -0.134 0.000 0.768 425 P CB 0.835 32.496 31.700 -0.065 0.000 0.848 426 G N 1.509 110.253 108.800 -0.093 0.000 2.175 426 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.244 426 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.244 426 G C -0.042 174.812 174.900 -0.077 0.000 0.982 426 G CA -0.250 44.804 45.100 -0.076 0.000 0.641 426 G HN 0.526 nan 8.290 nan 0.000 0.527 427 V N 1.205 121.061 119.914 -0.097 0.000 2.364 427 V HA 0.576 4.696 4.120 -0.000 0.000 0.272 427 V C 1.383 177.448 176.094 -0.048 0.000 1.036 427 V CA 0.847 63.101 62.300 -0.076 0.000 0.880 427 V CB 1.328 33.087 31.823 -0.105 0.000 0.991 427 V HN 0.339 nan 8.190 nan 0.000 0.460 428 T N 3.643 118.180 114.554 -0.028 0.000 3.044 428 T HA 0.154 4.504 4.350 -0.000 0.000 0.255 428 T C 0.453 175.148 174.700 -0.008 0.000 1.073 428 T CA 0.682 62.772 62.100 -0.017 0.000 1.125 428 T CB 0.060 68.921 68.868 -0.011 0.000 0.908 428 T HN 0.749 nan 8.240 nan 0.000 0.480 429 E N -0.077 120.120 120.200 -0.004 0.000 2.363 429 E HA 0.518 4.868 4.350 -0.000 0.000 0.281 429 E C -2.171 174.438 176.600 0.016 0.000 0.953 429 E CA -0.656 55.748 56.400 0.006 0.000 0.778 429 E CB 2.370 32.075 29.700 0.008 0.000 1.220 429 E HN 0.035 nan 8.360 nan 0.000 0.431 430 V N 4.021 123.948 119.914 0.022 0.000 2.851 430 V HA 0.648 4.767 4.120 -0.000 0.000 0.307 430 V C -1.855 174.259 176.094 0.033 0.000 1.129 430 V CA -0.368 61.953 62.300 0.036 0.000 0.932 430 V CB 1.959 33.809 31.823 0.044 0.000 1.024 430 V HN 0.488 nan 8.190 nan 0.000 0.426 431 V N 6.480 126.415 119.914 0.035 0.000 2.588 431 V HA 0.602 4.722 4.120 -0.000 0.000 0.304 431 V C -0.444 175.665 176.094 0.025 0.000 1.042 431 V CA -0.611 61.705 62.300 0.027 0.000 0.877 431 V CB 2.066 33.900 31.823 0.017 0.000 0.996 431 V HN 0.720 nan 8.190 nan 0.000 0.425 432 V N 6.254 126.179 119.914 0.018 0.000 2.398 432 V HA 0.617 4.737 4.120 -0.000 0.000 0.286 432 V C -0.166 175.928 176.094 0.001 0.000 1.026 432 V CA -0.330 61.973 62.300 0.005 0.000 0.868 432 V CB 1.502 33.326 31.823 0.001 0.000 0.982 432 V HN 0.805 nan 8.190 nan 0.000 0.443 433 I N 1.583 122.149 120.570 -0.007 0.000 3.042 433 I HA 0.969 5.139 4.170 -0.000 0.000 0.310 433 I C 0.245 176.353 176.117 -0.014 0.000 1.117 433 I CA -0.986 60.308 61.300 -0.010 0.000 1.003 433 I CB 2.382 40.371 38.000 -0.017 0.000 1.228 433 I HN 0.600 nan 8.210 nan 0.000 0.443 434 G N 3.522 112.313 108.800 -0.015 0.000 2.335 434 G HA2 0.627 4.587 3.960 -0.000 0.000 0.316 434 G HA3 0.627 4.587 3.960 -0.000 0.000 0.316 434 G C -0.833 174.053 174.900 -0.023 0.000 1.129 434 G CA -0.647 44.442 45.100 -0.018 0.000 0.899 434 G HN 0.532 nan 8.290 nan 0.000 0.448 435 L N 1.916 123.122 121.223 -0.028 0.000 2.322 435 L HA 0.527 4.867 4.340 -0.000 0.000 0.279 435 L C 1.011 177.856 176.870 -0.042 0.000 1.036 435 L CA -0.992 53.829 54.840 -0.031 0.000 0.807 435 L CB 1.815 43.866 42.059 -0.014 0.000 1.226 435 L HN 0.615 nan 8.230 nan 0.000 0.433 436 A N 2.427 125.226 122.820 -0.036 0.000 2.548 436 A HA 0.087 4.406 4.320 -0.000 0.000 0.247 436 A C -0.284 177.269 177.584 -0.053 0.000 1.067 436 A CA 0.207 52.223 52.037 -0.034 0.000 0.757 436 A CB -0.151 18.834 19.000 -0.025 0.000 0.996 436 A HN 0.727 nan 8.150 nan 0.000 0.504 437 D N 2.251 122.613 120.400 -0.063 0.000 2.593 437 D HA 0.528 5.168 4.640 -0.000 0.000 0.251 437 D C 0.310 176.577 176.300 -0.055 0.000 1.140 437 D CA 0.252 54.189 54.000 -0.105 0.000 0.855 437 D CB 1.422 42.095 40.800 -0.212 0.000 1.267 437 D HN 0.810 nan 8.370 nan 0.000 0.532 441 G N 2.238 111.115 108.800 0.128 0.000 3.909 441 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 441 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 441 G C -0.009 174.908 174.900 0.029 0.000 1.404 441 G CA 1.006 46.154 45.100 0.080 0.000 0.905 441 G HN 0.397 nan 8.290 nan 0.000 0.589 442 Q N -0.397 119.422 119.800 0.031 0.000 2.391 442 Q HA 0.609 4.949 4.340 -0.000 0.000 0.279 442 Q C -1.320 174.646 176.000 -0.057 0.000 1.028 442 Q CA -0.175 55.619 55.803 -0.016 0.000 0.836 442 Q CB 2.408 31.151 28.738 0.008 0.000 1.414 442 Q HN 0.446 nan 8.270 nan 0.000 0.397 443 S N 0.922 116.559 115.700 -0.105 0.000 2.454 443 S HA 0.497 4.966 4.470 -0.000 0.000 0.306 443 S C -0.651 173.905 174.600 -0.073 0.000 1.100 443 S CA -0.513 57.601 58.200 -0.144 0.000 1.087 443 S CB 1.069 64.134 63.200 -0.225 0.000 1.019 443 S HN 0.382 nan 8.310 nan 0.000 0.480 444 V N 5.307 125.190 119.914 -0.051 0.000 2.521 444 V HA 0.303 4.423 4.120 -0.000 0.000 0.286 444 V C 0.307 176.343 176.094 -0.096 0.000 1.034 444 V CA 0.284 62.553 62.300 -0.050 0.000 1.045 444 V CB 0.891 32.693 31.823 -0.035 0.000 0.974 444 V HN 0.961 nan 8.190 nan 0.000 0.480 445 T N 4.643 119.149 114.554 -0.080 0.000 2.879 445 T HA 0.665 5.014 4.350 -0.000 0.000 0.290 445 T C -0.169 174.481 174.700 -0.083 0.000 0.993 445 T CA -0.304 61.752 62.100 -0.072 0.000 0.975 445 T CB 1.627 70.530 68.868 0.059 0.000 0.981 445 T HN 0.866 nan 8.240 nan 0.000 0.439 446 A N 1.810 124.506 122.820 -0.207 0.000 2.292 446 A HA 0.644 4.964 4.320 -0.000 0.000 0.319 446 A C -0.113 177.523 177.584 0.086 0.000 1.206 446 A CA -0.602 51.374 52.037 -0.102 0.000 0.835 446 A CB 0.267 19.148 19.000 -0.200 0.000 1.164 446 A HN 0.967 nan 8.150 nan 0.000 0.505 447 C N 2.869 122.236 119.300 0.111 0.000 2.281 447 C HA 0.639 5.099 4.460 -0.000 0.000 0.323 447 C C -0.024 175.034 174.990 0.114 0.000 1.270 447 C CA -0.539 58.568 59.018 0.148 0.000 1.559 447 C CB -0.124 27.666 27.740 0.083 0.000 2.239 447 C HN 0.615 nan 8.230 nan 0.000 0.488 448 V N 4.302 124.295 119.914 0.133 0.000 2.588 448 V HA 0.547 4.667 4.120 -0.000 0.000 0.304 448 V C -0.352 175.779 176.094 0.062 0.000 1.042 448 V CA -0.514 61.842 62.300 0.094 0.000 0.877 448 V CB 1.843 33.736 31.823 0.115 0.000 0.996 448 V HN 0.613 nan 8.190 nan 0.000 0.425 449 V N 6.249 126.183 119.914 0.034 0.000 2.398 449 V HA 0.425 4.545 4.120 -0.000 0.000 0.286 449 V C -2.381 173.714 176.094 0.002 0.000 1.026 449 V CA -2.023 60.289 62.300 0.020 0.000 0.868 449 V CB 1.755 33.586 31.823 0.014 0.000 0.982 449 V HN 0.733 nan 8.190 nan 0.000 0.443 450 P HA 0.304 nan 4.420 nan 0.000 0.274 450 P C -0.162 177.129 177.300 -0.015 0.000 1.231 450 P CA -0.585 62.505 63.100 -0.017 0.000 0.790 450 P CB 0.600 32.290 31.700 -0.017 0.000 0.951 451 R N 1.039 121.526 120.500 -0.022 0.000 2.698 451 R HA 0.042 4.382 4.340 -0.000 0.000 0.266 451 R C 0.230 176.521 176.300 -0.014 0.000 1.026 451 R CA -0.566 55.523 56.100 -0.018 0.000 1.102 451 R CB -0.199 30.087 30.300 -0.022 0.000 0.978 451 R HN 0.434 nan 8.270 nan 0.000 0.436 452 L N 2.585 123.802 121.223 -0.011 0.000 2.700 452 L HA -0.054 4.286 4.340 -0.000 0.000 0.276 452 L C 1.182 178.046 176.870 -0.010 0.000 1.200 452 L CA 2.051 56.886 54.840 -0.008 0.000 0.951 452 L CB -0.048 42.007 42.059 -0.007 0.000 1.226 452 L HN 0.933 nan 8.230 nan 0.000 0.489 453 G N 2.382 111.177 108.800 -0.009 0.000 2.234 453 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 453 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 453 G C 0.353 175.246 174.900 -0.012 0.000 0.987 453 G CA 0.319 45.414 45.100 -0.009 0.000 0.625 453 G HN 0.641 nan 8.290 nan 0.000 0.532 454 E N 0.514 120.705 120.200 -0.015 0.000 2.314 454 E HA 0.594 4.944 4.350 -0.000 0.000 0.262 454 E C 0.012 176.599 176.600 -0.021 0.000 1.093 454 E CA -0.093 56.296 56.400 -0.020 0.000 0.908 454 E CB 1.085 30.770 29.700 -0.025 0.000 1.091 454 E HN 0.113 nan 8.360 nan 0.000 0.425 455 T N 1.140 115.679 114.554 -0.025 0.000 2.925 455 T HA 0.620 4.969 4.350 -0.000 0.000 0.285 455 T C -0.101 174.574 174.700 -0.041 0.000 1.021 455 T CA -0.513 61.571 62.100 -0.028 0.000 1.042 455 T CB 0.624 69.477 68.868 -0.025 0.000 1.037 455 T HN 0.154 nan 8.240 nan 0.000 0.481 456 L N 1.841 123.037 121.223 -0.046 0.000 2.333 456 L HA 0.791 5.131 4.340 -0.000 0.000 0.263 456 L C -0.193 176.629 176.870 -0.081 0.000 1.014 456 L CA -0.935 53.863 54.840 -0.071 0.000 0.820 456 L CB 2.277 44.293 42.059 -0.071 0.000 1.352 456 L HN 0.691 nan 8.230 nan 0.000 0.421 457 S N -0.088 115.540 115.700 -0.121 0.000 2.541 457 S HA 0.635 5.104 4.470 -0.000 0.000 0.280 457 S C 0.354 174.812 174.600 -0.236 0.000 1.112 457 S CA -0.036 58.084 58.200 -0.132 0.000 0.925 457 S CB 1.936 65.079 63.200 -0.095 0.000 1.067 457 S HN 0.744 nan 8.310 nan 0.000 0.479 458 A N 2.516 125.194 122.820 -0.237 0.000 1.883 458 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 458 A C 1.671 179.049 177.584 -0.343 0.000 1.186 458 A CA 2.098 53.902 52.037 -0.388 0.000 0.624 458 A CB -1.246 17.682 19.000 -0.121 0.000 0.822 458 A HN 0.888 nan 8.150 nan 0.000 0.444 459 D N 0.129 120.430 120.400 -0.166 0.000 2.106 459 D HA -0.140 4.500 4.640 -0.000 0.000 0.191 459 D C 2.243 178.479 176.300 -0.107 0.000 0.997 459 D CA 1.930 55.870 54.000 -0.100 0.000 0.834 459 D CB -0.541 40.223 40.800 -0.059 0.000 0.956 459 D HN 0.432 nan 8.370 nan 0.000 0.448 460 A N 0.222 122.970 122.820 -0.120 0.000 1.902 460 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 460 A C 2.413 179.940 177.584 -0.095 0.000 1.181 460 A CA 0.936 52.923 52.037 -0.083 0.000 0.623 460 A CB -0.754 18.199 19.000 -0.079 0.000 0.818 460 A HN 0.221 nan 8.150 nan 0.000 0.443 461 L N -0.664 120.403 121.223 -0.259 0.000 2.141 461 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 461 L C 2.346 179.133 176.870 -0.139 0.000 1.094 461 L CA 1.586 56.241 54.840 -0.308 0.000 0.763 461 L CB -0.437 41.194 42.059 -0.713 0.000 0.908 461 L HN 0.471 nan 8.230 nan 0.000 0.437 462 D N -0.559 119.726 120.400 -0.191 0.000 2.097 462 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 462 D C 2.012 178.364 176.300 0.087 0.000 0.984 462 D CA 1.661 55.706 54.000 0.075 0.000 0.826 462 D CB 0.118 40.969 40.800 0.086 0.000 0.973 462 D HN 0.078 nan 8.370 nan 0.000 0.460 463 T N -0.379 114.203 114.554 0.046 0.000 2.665 463 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 463 T C 1.654 176.399 174.700 0.076 0.000 1.035 463 T CA 1.336 63.466 62.100 0.050 0.000 1.151 463 T CB -0.699 68.191 68.868 0.035 0.000 0.862 463 T HN 0.272 nan 8.240 nan 0.000 0.438 464 F N 1.023 120.959 119.950 -0.023 0.000 2.134 464 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 464 F C 2.482 178.290 175.800 0.013 0.000 1.097 464 F CA 0.913 58.907 58.000 -0.009 0.000 1.264 464 F CB -0.571 38.418 39.000 -0.020 0.000 1.001 464 F HN 0.151 nan 8.300 nan 0.000 0.479 465 C N 0.979 120.409 119.300 0.217 0.000 2.425 465 C HA -0.116 4.344 4.460 -0.000 0.000 0.277 465 C C 2.786 177.776 174.990 0.001 0.000 1.280 465 C CA 0.969 60.061 59.018 0.123 0.000 1.744 465 C CB -1.266 26.599 27.740 0.208 0.000 1.989 465 C HN 0.449 nan 8.230 nan 0.000 0.491 466 R N 0.421 120.926 120.500 0.008 0.000 2.092 466 R HA -0.093 4.247 4.340 -0.000 0.000 0.231 466 R C 2.207 178.468 176.300 -0.064 0.000 1.119 466 R CA 1.525 57.617 56.100 -0.013 0.000 0.970 466 R CB -0.468 29.836 30.300 0.008 0.000 0.864 466 R HN 0.423 nan 8.270 nan 0.000 0.440 467 S N 0.820 116.447 115.700 -0.121 0.000 2.481 467 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 467 S C 1.071 175.536 174.600 -0.225 0.000 0.996 467 S CA 0.553 58.650 58.200 -0.172 0.000 0.942 467 S CB -0.041 63.029 63.200 -0.216 0.000 0.768 467 S HN 0.424 nan 8.310 nan 0.000 0.520 468 S N 1.217 116.765 115.700 -0.255 0.000 2.641 468 S HA 0.443 4.913 4.470 -0.000 0.000 0.261 468 S C 1.076 175.610 174.600 -0.109 0.000 1.257 468 S CA 0.155 58.224 58.200 -0.219 0.000 0.983 468 S CB 0.680 63.766 63.200 -0.190 0.000 0.990 468 S HN 0.345 nan 8.310 nan 0.000 0.572 469 E N -0.090 120.064 120.200 -0.077 0.000 2.502 469 E HA 0.284 4.634 4.350 -0.000 0.000 0.194 469 E C 0.733 177.311 176.600 -0.036 0.000 1.062 469 E CA 0.066 56.440 56.400 -0.043 0.000 0.867 469 E CB -0.681 29.003 29.700 -0.027 0.000 0.888 469 E HN 0.628 nan 8.360 nan 0.000 0.510 470 L N 0.984 122.181 121.223 -0.045 0.000 2.525 470 L HA 0.315 4.655 4.340 -0.000 0.000 0.278 470 L C 1.011 177.834 176.870 -0.079 0.000 1.218 470 L CA -0.412 54.390 54.840 -0.064 0.000 0.878 470 L CB 0.864 42.889 42.059 -0.058 0.000 1.127 470 L HN 0.396 nan 8.230 nan 0.000 0.492 471 A N 2.886 125.624 122.820 -0.136 0.000 2.511 471 A HA 0.041 4.361 4.320 -0.000 0.000 0.242 471 A C 1.238 178.732 177.584 -0.150 0.000 1.069 471 A CA -0.166 51.799 52.037 -0.121 0.000 0.763 471 A CB 0.171 19.073 19.000 -0.163 0.000 1.001 471 A HN 0.914 nan 8.150 nan 0.000 0.498 472 D N 2.691 123.099 120.400 0.013 0.000 2.157 472 D HA -0.349 4.291 4.640 -0.000 0.000 0.191 472 D C 1.317 177.655 176.300 0.062 0.000 1.004 472 D CA 2.313 56.345 54.000 0.054 0.000 0.854 472 D CB -0.827 40.036 40.800 0.105 0.000 0.936 472 D HN 0.787 nan 8.370 nan 0.000 0.446 473 F N 0.665 120.644 119.950 0.049 0.000 2.408 473 F HA 0.134 4.661 4.527 -0.000 0.000 0.300 473 F C 1.999 177.841 175.800 0.070 0.000 1.090 473 F CA 0.446 58.485 58.000 0.066 0.000 1.427 473 F CB -0.353 38.674 39.000 0.045 0.000 1.070 473 F HN -0.171 nan 8.300 nan 0.000 0.549 474 K N 0.652 120.701 120.400 -0.585 0.000 2.305 474 K HA 0.091 4.411 4.320 -0.000 0.000 0.199 474 K C 0.542 177.053 176.600 -0.149 0.000 1.047 474 K CA 0.020 56.057 56.287 -0.416 0.000 0.976 474 K CB -0.057 32.142 32.500 -0.502 0.000 0.765 474 K HN 0.217 nan 8.250 nan 0.000 0.474 475 R N 2.234 122.685 120.500 -0.080 0.000 2.585 475 R HA 0.044 4.384 4.340 -0.000 0.000 0.275 475 R C -2.467 173.818 176.300 -0.025 0.000 1.018 475 R CA -1.442 54.652 56.100 -0.010 0.000 1.072 475 R CB -0.422 29.901 30.300 0.039 0.000 0.953 475 R HN -0.060 nan 8.270 nan 0.000 0.419 476 P HA -0.033 nan 4.420 nan 0.000 0.267 476 P C 0.069 177.271 177.300 -0.163 0.000 1.200 476 P CA 0.076 63.044 63.100 -0.220 0.000 0.772 476 P CB 0.625 31.981 31.700 -0.573 0.000 0.855 477 K N 1.674 121.985 120.400 -0.149 0.000 2.352 477 K HA 0.151 4.471 4.320 -0.000 0.000 0.194 477 K C 0.639 177.167 176.600 -0.121 0.000 1.038 477 K CA 0.658 56.890 56.287 -0.091 0.000 1.023 477 K CB 0.560 33.006 32.500 -0.089 0.000 0.840 477 K HN 0.456 nan 8.250 nan 0.000 0.519 478 R N -0.244 120.119 120.500 -0.228 0.000 2.668 478 R HA 0.363 4.703 4.340 -0.000 0.000 0.272 478 R C -1.517 174.526 176.300 -0.428 0.000 1.019 478 R CA -0.667 55.283 56.100 -0.249 0.000 0.894 478 R CB 1.704 31.863 30.300 -0.235 0.000 1.228 478 R HN -0.122 nan 8.270 nan 0.000 0.460 479 Y N 1.108 121.238 120.300 -0.284 0.000 2.409 479 Y HA 0.477 5.027 4.550 -0.000 0.000 0.343 479 Y C -0.596 175.048 175.900 -0.427 0.000 0.973 479 Y CA -0.575 57.401 58.100 -0.208 0.000 1.064 479 Y CB 1.547 39.935 38.460 -0.119 0.000 1.207 479 Y HN 0.373 nan 8.280 nan 0.000 0.452 480 F N 4.022 124.046 119.950 0.124 0.000 2.449 480 F HA 0.443 4.970 4.527 -0.000 0.000 0.342 480 F C -0.631 175.214 175.800 0.076 0.000 1.127 480 F CA -0.948 57.096 58.000 0.075 0.000 0.975 480 F CB 1.017 40.034 39.000 0.028 0.000 1.146 480 F HN 0.179 nan 8.300 nan 0.000 0.444 481 I N 5.645 126.330 120.570 0.192 0.000 2.312 481 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 481 I C -0.192 175.992 176.117 0.112 0.000 1.031 481 I CA -0.501 60.870 61.300 0.118 0.000 1.293 481 I CB 0.307 38.340 38.000 0.055 0.000 1.403 481 I HN 0.479 nan 8.210 nan 0.000 0.484 482 L N 5.531 126.807 121.223 0.089 0.000 2.341 482 L HA 0.417 4.757 4.340 -0.000 0.000 0.267 482 L C 0.646 177.538 176.870 0.036 0.000 1.009 482 L CA -0.703 54.174 54.840 0.062 0.000 0.819 482 L CB 1.943 44.034 42.059 0.054 0.000 1.323 482 L HN 0.510 nan 8.230 nan 0.000 0.425 483 D N -1.102 119.313 120.400 0.024 0.000 2.350 483 D HA 0.185 4.825 4.640 -0.000 0.000 0.213 483 D C 0.389 176.695 176.300 0.010 0.000 1.031 483 D CA 0.378 54.387 54.000 0.015 0.000 0.861 483 D CB 0.453 41.259 40.800 0.011 0.000 0.926 483 D HN 0.498 nan 8.370 nan 0.000 0.520 484 Q N 0.098 119.904 119.800 0.010 0.000 2.479 484 Q HA 0.592 4.932 4.340 -0.000 0.000 0.276 484 Q C -1.741 174.261 176.000 0.004 0.000 0.989 484 Q CA -0.861 54.945 55.803 0.005 0.000 0.864 484 Q CB 0.860 29.599 28.738 0.001 0.000 1.444 484 Q HN 0.242 nan 8.270 nan 0.000 0.388 485 L N 2.719 123.943 121.223 0.002 0.000 2.309 485 L HA 0.679 5.018 4.340 -0.000 0.000 0.282 485 L C -1.936 174.929 176.870 -0.007 0.000 1.036 485 L CA -2.066 52.772 54.840 -0.002 0.000 0.806 485 L CB 1.957 44.017 42.059 0.002 0.000 1.220 485 L HN 0.625 nan 8.230 nan 0.000 0.429 486 P HA 0.205 nan 4.420 nan 0.000 0.271 486 P C -1.185 176.109 177.300 -0.011 0.000 1.226 486 P CA -0.142 62.949 63.100 -0.015 0.000 0.765 486 P CB 0.924 32.610 31.700 -0.022 0.000 0.835 487 K N 2.151 122.546 120.400 -0.009 0.000 2.443 487 K HA 0.312 4.632 4.320 -0.000 0.000 0.251 487 K C 0.317 176.912 176.600 -0.008 0.000 0.972 487 K CA -0.874 55.409 56.287 -0.006 0.000 0.833 487 K CB 1.444 33.942 32.500 -0.003 0.000 1.317 487 K HN 0.415 nan 8.250 nan 0.000 0.441 488 N N 0.023 118.719 118.700 -0.007 0.000 2.366 488 N HA 0.143 4.883 4.740 -0.000 0.000 0.277 488 N C 0.710 176.213 175.510 -0.011 0.000 1.275 488 N CA -0.142 52.901 53.050 -0.011 0.000 0.964 488 N CB 0.038 38.518 38.487 -0.011 0.000 1.167 488 N HN 0.546 nan 8.380 nan 0.000 0.568 489 A N -0.836 121.973 122.820 -0.018 0.000 2.070 489 A HA 0.003 4.323 4.320 -0.000 0.000 0.220 489 A C 1.477 179.050 177.584 -0.018 0.000 1.159 489 A CA 0.836 52.861 52.037 -0.021 0.000 0.656 489 A CB -0.896 18.085 19.000 -0.032 0.000 0.800 489 A HN 0.590 nan 8.150 nan 0.000 0.453 490 L N -0.014 121.200 121.223 -0.015 0.000 2.783 490 L HA 0.103 4.443 4.340 -0.000 0.000 0.236 490 L C 0.151 177.024 176.870 0.005 0.000 1.225 490 L CA 0.134 54.971 54.840 -0.005 0.000 1.026 490 L CB -1.173 40.884 42.059 -0.003 0.000 1.314 490 L HN 0.666 nan 8.230 nan 0.000 0.489 491 N N -0.432 118.269 118.700 0.002 0.000 2.700 491 N HA -0.276 4.463 4.740 -0.000 0.000 0.265 491 N C -0.302 175.211 175.510 0.005 0.000 0.975 491 N CA 1.069 54.121 53.050 0.003 0.000 0.800 491 N CB -1.406 37.084 38.487 0.005 0.000 0.908 491 N HN 0.479 nan 8.380 nan 0.000 0.551 492 K N -0.139 120.264 120.400 0.005 0.000 2.259 492 K HA 0.716 5.036 4.320 -0.000 0.000 0.249 492 K C 0.026 176.628 176.600 0.005 0.000 0.942 492 K CA -0.314 55.977 56.287 0.008 0.000 0.816 492 K CB 1.396 33.904 32.500 0.013 0.000 1.155 492 K HN 0.301 nan 8.250 nan 0.000 0.428 493 V N 3.271 123.188 119.914 0.005 0.000 2.485 493 V HA 0.104 4.224 4.120 -0.000 0.000 0.287 493 V C 0.781 176.874 176.094 -0.002 0.000 1.022 493 V CA -0.288 62.012 62.300 0.001 0.000 1.067 493 V CB 0.234 32.059 31.823 0.003 0.000 0.967 493 V HN 0.707 nan 8.190 nan 0.000 0.479 494 L N 6.647 127.865 121.223 -0.007 0.000 2.436 494 L HA 0.179 4.519 4.340 -0.000 0.000 0.244 494 L C 1.867 178.727 176.870 -0.016 0.000 1.396 494 L CA 0.061 54.894 54.840 -0.011 0.000 1.217 494 L CB -0.953 41.097 42.059 -0.015 0.000 1.420 494 L HN 0.646 nan 8.230 nan 0.000 0.434 495 R N 1.028 121.521 120.500 -0.011 0.000 2.119 495 R HA -0.277 4.063 4.340 -0.000 0.000 0.246 495 R C 2.746 179.032 176.300 -0.024 0.000 1.146 495 R CA 2.146 58.237 56.100 -0.015 0.000 0.962 495 R CB -0.370 29.927 30.300 -0.005 0.000 0.863 495 R HN 0.683 nan 8.270 nan 0.000 0.442 496 R N 1.045 121.533 120.500 -0.020 0.000 2.096 496 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 496 R C 1.926 178.205 176.300 -0.034 0.000 1.127 496 R CA 1.567 57.653 56.100 -0.025 0.000 0.968 496 R CB -1.187 29.102 30.300 -0.017 0.000 0.861 496 R HN 0.313 nan 8.270 nan 0.000 0.440 497 Q N -0.380 119.401 119.800 -0.033 0.000 2.245 497 Q HA 0.009 4.349 4.340 -0.000 0.000 0.201 497 Q C 2.107 178.075 176.000 -0.055 0.000 0.955 497 Q CA 1.206 56.986 55.803 -0.039 0.000 0.870 497 Q CB -0.017 28.702 28.738 -0.031 0.000 0.945 497 Q HN 0.449 nan 8.270 nan 0.000 0.461 498 L N 0.284 121.473 121.223 -0.056 0.000 1.970 498 L HA -0.178 4.161 4.340 -0.000 0.000 0.212 498 L C 2.380 179.181 176.870 -0.114 0.000 1.071 498 L CA 1.555 56.348 54.840 -0.079 0.000 0.751 498 L CB -1.087 40.934 42.059 -0.062 0.000 0.889 498 L HN -0.010 nan 8.230 nan 0.000 0.432 499 V N -0.212 119.645 119.914 -0.095 0.000 2.277 499 V HA -0.446 3.673 4.120 -0.000 0.000 0.255 499 V C 3.055 179.080 176.094 -0.115 0.000 1.074 499 V CA 2.748 64.986 62.300 -0.104 0.000 1.058 499 V CB -1.676 30.108 31.823 -0.065 0.000 0.656 499 V HN 0.760 nan 8.190 nan 0.000 0.449 500 Q N -0.715 119.032 119.800 -0.088 0.000 2.020 500 Q HA -0.332 4.008 4.340 -0.000 0.000 0.202 500 Q C 2.219 178.158 176.000 -0.103 0.000 0.982 500 Q CA 2.418 58.173 55.803 -0.080 0.000 0.838 500 Q CB -0.881 27.823 28.738 -0.057 0.000 0.899 500 Q HN 0.785 nan 8.270 nan 0.000 0.423 501 Q N 0.130 119.865 119.800 -0.110 0.000 2.152 501 Q HA -0.065 4.274 4.340 -0.000 0.000 0.206 501 Q C 1.294 177.181 176.000 -0.188 0.000 0.985 501 Q CA 1.753 57.484 55.803 -0.121 0.000 0.863 501 Q CB -0.554 28.121 28.738 -0.105 0.000 0.904 501 Q HN 0.749 nan 8.270 nan 0.000 0.422 502 V N 0.000 119.735 119.914 -0.299 0.000 2.409 502 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 502 V CA 0.000 61.966 62.300 -0.556 0.000 1.235 502 V CB 0.000 31.159 31.823 -1.106 0.000 1.184 502 V HN 0.000 nan 8.190 nan 0.000 0.556