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 1gc3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRGLSRRVQA MKPDAVVAVN AKALELRRQG VDLVALTAGE PDFDTPEHVK DATA SEQUENCE EAARRALAQG KTKYAPPAGI PELREALAEK FRRENGLSVT PEETIVTVGG DATA SEQUENCE SQALFNLFQA ILDPGDEVIV LSPYWVSYPE MVRFAGGVVV EVETLPEEGF DATA SEQUENCE VPDPERVRRA ITPRTKALVV NSPNNPTGAV YPKEVLEALA RLAVEHDFYL DATA SEQUENCE VSDEIYEHLL YEGEHFSPGR VAPEHTLTVN GAAKAFAMTG WRIGYACGPK DATA SEQUENCE EVIKAMASVS RQSTTSPDTI AQWATLEALT NQEASRAFVE MAREAYRRRR DATA SEQUENCE DLLLEGLTAL GLKAVRPSGA FYVLMDTSPI APDEVRAAER LLEAGVAVVP DATA SEQUENCE GTDFAAFGHV RLSYATSEEN LRKALERFAR VL 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 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.600 32.600 0.001 0.000 1.302 2 R N -0.327 120.175 120.500 0.003 0.000 2.710 2 R HA 0.749 5.089 4.340 -0.001 0.000 0.270 2 R C -1.079 175.223 176.300 0.004 0.000 1.021 2 R CA -0.289 55.813 56.100 0.005 0.000 0.889 2 R CB 2.540 32.843 30.300 0.005 0.000 1.243 2 R HN 0.937 nan 8.270 nan 0.000 0.464 3 G N 1.117 109.921 108.800 0.006 0.000 2.326 3 G HA2 0.088 4.047 3.960 -0.001 0.000 0.413 3 G HA3 0.088 4.047 3.960 -0.001 0.000 0.413 3 G C -1.335 173.570 174.900 0.008 0.000 1.444 3 G CA -1.070 44.034 45.100 0.006 0.000 1.002 3 G HN 0.304 nan 8.290 nan 0.000 0.649 4 L N 0.515 121.743 121.223 0.009 0.000 2.468 4 L HA 0.584 4.924 4.340 -0.001 0.000 0.254 4 L C 1.548 178.422 176.870 0.007 0.000 1.171 4 L CA -0.457 54.391 54.840 0.014 0.000 0.809 4 L CB 1.119 43.190 42.059 0.020 0.000 1.155 4 L HN 0.875 nan 8.230 nan 0.000 0.473 5 S N -0.275 115.429 115.700 0.008 0.000 2.603 5 S HA 0.228 4.697 4.470 -0.001 0.000 0.268 5 S C 0.920 175.508 174.600 -0.021 0.000 1.317 5 S CA -0.715 57.478 58.200 -0.012 0.000 1.012 5 S CB 1.615 64.804 63.200 -0.019 0.000 0.926 5 S HN 0.534 nan 8.310 nan 0.000 0.539 6 R N 1.370 121.846 120.500 -0.041 0.000 2.081 6 R HA -0.127 4.212 4.340 -0.001 0.000 0.235 6 R C 2.650 178.915 176.300 -0.058 0.000 1.131 6 R CA 1.845 57.919 56.100 -0.044 0.000 0.960 6 R CB -0.515 29.753 30.300 -0.052 0.000 0.856 6 R HN 0.938 nan 8.270 nan 0.000 0.436 7 R N -0.391 120.040 120.500 -0.115 0.000 2.091 7 R HA -0.075 4.265 4.340 -0.001 0.000 0.238 7 R C 2.088 178.357 176.300 -0.052 0.000 1.136 7 R CA 1.694 57.680 56.100 -0.189 0.000 0.959 7 R CB -0.921 29.085 30.300 -0.490 0.000 0.856 7 R HN 0.009 nan 8.270 nan 0.000 0.437 8 V N 1.318 121.246 119.914 0.023 0.000 2.488 8 V HA -0.152 3.967 4.120 -0.001 0.000 0.246 8 V C 2.425 178.571 176.094 0.086 0.000 1.046 8 V CA 1.653 64.041 62.300 0.147 0.000 1.053 8 V CB -0.178 31.733 31.823 0.148 0.000 0.679 8 V HN 0.426 nan 8.190 nan 0.000 0.458 9 Q N -0.268 119.556 119.800 0.040 0.000 2.016 9 Q HA -0.141 4.199 4.340 -0.001 0.000 0.200 9 Q C 2.344 178.359 176.000 0.025 0.000 0.978 9 Q CA 1.688 57.506 55.803 0.026 0.000 0.833 9 Q CB -0.417 28.327 28.738 0.010 0.000 0.895 9 Q HN 0.647 nan 8.270 nan 0.000 0.427 10 A N 1.567 124.397 122.820 0.017 0.000 2.131 10 A HA -0.128 4.192 4.320 -0.001 0.000 0.220 10 A C 1.350 178.953 177.584 0.031 0.000 1.158 10 A CA 0.753 52.798 52.037 0.013 0.000 0.665 10 A CB -0.808 18.188 19.000 -0.007 0.000 0.795 10 A HN 0.515 nan 8.150 nan 0.000 0.460 11 M N -0.533 119.105 119.600 0.063 0.000 2.180 11 M HA 0.403 4.883 4.480 -0.001 0.000 0.358 11 M C -0.089 176.231 176.300 0.032 0.000 1.233 11 M CA -0.429 54.913 55.300 0.071 0.000 1.114 11 M CB 0.664 33.355 32.600 0.152 0.000 1.594 11 M HN 0.088 nan 8.290 nan 0.000 0.467 12 K N 4.531 124.937 120.400 0.009 0.000 2.382 12 K HA 0.349 4.668 4.320 -0.001 0.000 0.275 12 K C -2.014 174.569 176.600 -0.029 0.000 1.009 12 K CA -1.128 55.152 56.287 -0.012 0.000 0.970 12 K CB 0.467 32.953 32.500 -0.024 0.000 0.934 12 K HN 0.593 nan 8.250 nan 0.000 0.479 13 P HA -0.005 nan 4.420 nan 0.000 0.300 13 P C -0.941 176.326 177.300 -0.055 0.000 1.294 13 P CA 0.004 63.085 63.100 -0.032 0.000 0.757 13 P CB 0.266 31.955 31.700 -0.019 0.000 1.377 14 D N -2.460 117.911 120.400 -0.048 0.000 2.481 14 D HA 0.438 5.077 4.640 -0.001 0.000 0.246 14 D C 1.050 177.325 176.300 -0.043 0.000 1.109 14 D CA -0.489 53.473 54.000 -0.063 0.000 0.845 14 D CB 1.256 42.022 40.800 -0.057 0.000 1.160 14 D HN 0.334 nan 8.370 nan 0.000 0.534 15 A N 3.030 125.807 122.820 -0.072 0.000 1.909 15 A HA -0.239 4.081 4.320 -0.001 0.000 0.221 15 A C 2.036 179.638 177.584 0.030 0.000 1.223 15 A CA 2.360 54.378 52.037 -0.031 0.000 0.658 15 A CB -0.798 18.144 19.000 -0.097 0.000 0.831 15 A HN 0.580 nan 8.150 nan 0.000 0.462 16 V N -1.457 118.481 119.914 0.040 0.000 2.725 16 V HA -0.011 4.108 4.120 -0.001 0.000 0.247 16 V C 2.174 178.301 176.094 0.055 0.000 1.058 16 V CA 1.777 64.123 62.300 0.077 0.000 1.080 16 V CB 0.285 32.185 31.823 0.129 0.000 0.713 16 V HN 0.315 nan 8.190 nan 0.000 0.465 17 V N 0.471 120.405 119.914 0.033 0.000 2.809 17 V HA -0.025 4.095 4.120 -0.001 0.000 0.256 17 V C 2.559 178.665 176.094 0.021 0.000 1.080 17 V CA 1.844 64.158 62.300 0.025 0.000 1.102 17 V CB -0.233 31.596 31.823 0.009 0.000 0.705 17 V HN 0.666 nan 8.190 nan 0.000 0.475 18 A N 0.144 122.976 122.820 0.020 0.000 1.825 18 A HA -0.136 4.183 4.320 -0.001 0.000 0.214 18 A C 2.235 179.835 177.584 0.028 0.000 1.206 18 A CA 2.176 54.224 52.037 0.019 0.000 0.609 18 A CB -0.993 18.017 19.000 0.017 0.000 0.851 18 A HN 0.517 nan 8.150 nan 0.000 0.445 19 V N 0.573 120.510 119.914 0.038 0.000 2.546 19 V HA -0.301 3.818 4.120 -0.001 0.000 0.254 19 V C 2.069 178.187 176.094 0.040 0.000 1.076 19 V CA 2.240 64.566 62.300 0.044 0.000 1.087 19 V CB -1.468 30.389 31.823 0.058 0.000 0.674 19 V HN 0.480 nan 8.190 nan 0.000 0.470 20 N N 1.107 119.830 118.700 0.038 0.000 2.062 20 N HA -0.027 4.713 4.740 -0.001 0.000 0.191 20 N C 2.028 177.552 175.510 0.024 0.000 1.042 20 N CA 1.927 54.996 53.050 0.033 0.000 0.845 20 N CB -0.841 37.666 38.487 0.034 0.000 1.024 20 N HN 0.481 nan 8.380 nan 0.000 0.424 21 A N 0.794 123.627 122.820 0.021 0.000 1.892 21 A HA -0.156 4.164 4.320 -0.001 0.000 0.218 21 A C 1.916 179.510 177.584 0.016 0.000 1.188 21 A CA 1.701 53.747 52.037 0.015 0.000 0.631 21 A CB -0.543 18.465 19.000 0.012 0.000 0.822 21 A HN 0.176 nan 8.150 nan 0.000 0.447 22 K N 0.186 120.597 120.400 0.019 0.000 2.611 22 K HA 0.262 4.581 4.320 -0.001 0.000 0.193 22 K C 0.966 177.579 176.600 0.022 0.000 1.026 22 K CA 0.756 57.054 56.287 0.020 0.000 1.063 22 K CB -0.718 31.795 32.500 0.022 0.000 0.839 22 K HN 0.459 nan 8.250 nan 0.000 0.505 23 A N -0.001 122.832 122.820 0.022 0.000 2.930 23 A HA 0.218 4.537 4.320 -0.001 0.000 0.213 23 A C 0.053 177.647 177.584 0.016 0.000 2.276 23 A CA -0.017 52.033 52.037 0.022 0.000 1.182 23 A CB -0.757 18.257 19.000 0.023 0.000 1.301 23 A HN 0.254 nan 8.150 nan 0.000 0.481 24 L N 0.526 121.758 121.223 0.014 0.000 6.594 24 L HA -0.073 4.267 4.340 -0.001 0.000 0.339 24 L C 0.294 177.170 176.870 0.009 0.000 1.672 24 L CA 1.386 56.232 54.840 0.010 0.000 0.871 24 L CB -1.326 40.738 42.059 0.009 0.000 1.493 24 L HN 0.740 nan 8.230 nan 0.000 0.293 25 E N 2.606 122.811 120.200 0.010 0.000 2.333 25 E HA 0.003 4.352 4.350 -0.001 0.000 0.185 25 E C -0.721 175.886 176.600 0.010 0.000 1.217 25 E CA 0.056 56.461 56.400 0.009 0.000 0.426 25 E CB -1.001 28.703 29.700 0.008 0.000 0.743 25 E HN 0.640 nan 8.360 nan 0.000 0.452 26 L N -0.023 121.207 121.223 0.011 0.000 1.240 26 L HA 0.093 4.432 4.340 -0.001 0.000 0.052 26 L C 1.848 178.724 176.870 0.011 0.000 1.525 26 L CA 0.284 55.131 54.840 0.012 0.000 1.118 26 L CB -0.662 41.407 42.059 0.016 0.000 2.255 26 L HN 0.164 nan 8.230 nan 0.000 0.438 27 R N 0.629 121.136 120.500 0.011 0.000 2.193 27 R HA -0.026 4.313 4.340 -0.001 0.000 0.213 27 R C 1.920 178.223 176.300 0.006 0.000 1.055 27 R CA 0.884 56.989 56.100 0.008 0.000 0.995 27 R CB 0.180 30.485 30.300 0.009 0.000 0.893 27 R HN 0.046 nan 8.270 nan 0.000 0.459 28 R N 1.571 122.075 120.500 0.006 0.000 2.299 28 R HA -0.043 4.296 4.340 -0.001 0.000 0.197 28 R C 0.271 176.574 176.300 0.004 0.000 0.971 28 R CA 0.895 56.998 56.100 0.005 0.000 1.030 28 R CB 0.042 30.345 30.300 0.005 0.000 0.932 28 R HN 0.491 nan 8.270 nan 0.000 0.477 29 Q N -1.938 117.865 119.800 0.005 0.000 2.470 29 Q HA 0.390 4.730 4.340 -0.001 0.000 0.389 29 Q C 0.420 176.423 176.000 0.005 0.000 0.888 29 Q CA -0.026 55.779 55.803 0.005 0.000 1.106 29 Q CB 0.465 29.206 28.738 0.006 0.000 1.368 29 Q HN 0.102 nan 8.270 nan 0.000 0.403 30 G N 0.221 109.024 108.800 0.004 0.000 3.329 30 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.220 30 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.220 30 G C 0.242 175.145 174.900 0.005 0.000 1.358 30 G CA -0.094 45.009 45.100 0.004 0.000 0.856 30 G HN 0.505 nan 8.290 nan 0.000 0.551 31 V N 4.313 124.231 119.914 0.007 0.000 2.441 31 V HA 0.313 4.433 4.120 -0.001 0.000 0.279 31 V C 0.563 176.662 176.094 0.008 0.000 0.990 31 V CA 0.585 62.891 62.300 0.008 0.000 1.116 31 V CB 0.393 32.223 31.823 0.011 0.000 0.977 31 V HN 0.679 nan 8.190 nan 0.000 0.470 32 D N 6.947 127.350 120.400 0.006 0.000 2.225 32 D HA 0.444 5.083 4.640 -0.001 0.000 0.248 32 D C -0.299 176.005 176.300 0.006 0.000 1.096 32 D CA -0.463 53.539 54.000 0.004 0.000 0.863 32 D CB 2.047 42.846 40.800 -0.001 0.000 1.156 32 D HN 0.432 nan 8.370 nan 0.000 0.450 33 L N -0.510 120.717 121.223 0.008 0.000 2.235 33 L HA 0.770 5.109 4.340 -0.001 0.000 0.260 33 L C -0.867 176.006 176.870 0.004 0.000 1.025 33 L CA -1.129 53.718 54.840 0.013 0.000 0.836 33 L CB 1.196 43.269 42.059 0.023 0.000 1.395 33 L HN 0.149 nan 8.230 nan 0.000 0.443 34 V N 0.217 120.133 119.914 0.004 0.000 2.513 34 V HA 0.713 4.832 4.120 -0.001 0.000 0.299 34 V C 0.280 176.379 176.094 0.007 0.000 1.035 34 V CA -0.388 61.904 62.300 -0.013 0.000 0.889 34 V CB 1.376 33.173 31.823 -0.042 0.000 0.988 34 V HN 0.939 nan 8.190 nan 0.000 0.440 35 A N 5.151 127.973 122.820 0.003 0.000 2.508 35 A HA 0.659 4.979 4.320 -0.001 0.000 0.336 35 A C -0.068 177.528 177.584 0.020 0.000 1.360 35 A CA -0.372 51.677 52.037 0.020 0.000 0.841 35 A CB -0.055 18.956 19.000 0.018 0.000 1.136 35 A HN 0.857 nan 8.150 nan 0.000 0.489 36 L N 2.612 123.861 121.223 0.043 0.000 2.939 36 L HA 0.097 4.436 4.340 -0.001 0.000 0.239 36 L C 1.865 178.778 176.870 0.071 0.000 1.325 36 L CA 0.434 55.304 54.840 0.050 0.000 1.170 36 L CB -0.599 41.513 42.059 0.088 0.000 1.538 36 L HN 0.849 nan 8.230 nan 0.000 0.452 37 T N -3.501 111.092 114.554 0.065 0.000 3.031 37 T HA 0.180 4.529 4.350 -0.001 0.000 0.254 37 T C 1.174 175.942 174.700 0.113 0.000 1.060 37 T CA 0.311 62.465 62.100 0.090 0.000 1.135 37 T CB 0.089 69.007 68.868 0.082 0.000 0.896 37 T HN 0.304 nan 8.240 nan 0.000 0.472 38 A N 1.022 123.882 122.820 0.066 0.000 2.552 38 A HA 0.306 4.625 4.320 -0.001 0.000 0.275 38 A C 1.511 179.204 177.584 0.181 0.000 0.917 38 A CA 0.642 52.710 52.037 0.052 0.000 1.021 38 A CB -0.695 18.249 19.000 -0.092 0.000 0.774 38 A HN 0.731 nan 8.150 nan 0.000 0.426 39 G N 1.747 110.677 108.800 0.217 0.000 2.743 39 G HA2 0.273 4.233 3.960 -0.001 0.000 0.206 39 G HA3 0.273 4.233 3.960 -0.001 0.000 0.206 39 G C 0.411 175.529 174.900 0.363 0.000 1.115 39 G CA 0.479 45.822 45.100 0.405 0.000 0.782 39 G HN 0.943 nan 8.290 nan 0.000 0.524 40 E N 1.849 122.136 120.200 0.144 0.000 2.242 40 E HA 0.414 4.763 4.350 -0.001 0.000 0.275 40 E C -2.748 173.803 176.600 -0.082 0.000 1.002 40 E CA -2.417 54.044 56.400 0.101 0.000 0.841 40 E CB 1.818 31.574 29.700 0.094 0.000 1.109 40 E HN -0.010 nan 8.360 nan 0.000 0.394 41 P HA -0.025 nan 4.420 nan 0.000 0.276 41 P C 0.182 177.503 177.300 0.036 0.000 1.230 41 P CA -0.130 62.981 63.100 0.018 0.000 0.776 41 P CB 0.901 32.848 31.700 0.411 0.000 0.888 42 D N 2.759 123.081 120.400 -0.129 0.000 2.218 42 D HA -0.162 4.477 4.640 -0.001 0.000 0.204 42 D C 0.455 176.694 176.300 -0.101 0.000 0.976 42 D CA 0.751 54.640 54.000 -0.185 0.000 0.853 42 D CB -0.761 39.846 40.800 -0.322 0.000 0.939 42 D HN 0.316 nan 8.370 nan 0.000 0.481 43 F N 1.247 121.302 119.950 0.175 0.000 2.545 43 F HA 0.133 4.660 4.527 -0.001 0.000 0.348 43 F C 1.331 177.265 175.800 0.223 0.000 1.163 43 F CA -0.499 57.638 58.000 0.228 0.000 1.331 43 F CB 0.318 39.539 39.000 0.368 0.000 1.138 43 F HN -0.217 nan 8.300 nan 0.000 0.602 44 D N 0.395 121.019 120.400 0.373 0.000 2.294 44 D HA 0.098 4.737 4.640 -0.001 0.000 0.250 44 D C -0.178 176.203 176.300 0.134 0.000 1.058 44 D CA -0.327 53.804 54.000 0.218 0.000 0.950 44 D CB 1.312 42.199 40.800 0.145 0.000 1.158 44 D HN 0.540 nan 8.370 nan 0.000 0.453 45 T N 0.840 115.449 114.554 0.091 0.000 2.940 45 T HA 0.292 4.642 4.350 -0.001 0.000 0.309 45 T C -2.288 172.232 174.700 -0.301 0.000 1.056 45 T CA -1.133 60.897 62.100 -0.116 0.000 1.137 45 T CB 0.594 69.458 68.868 -0.007 0.000 0.976 45 T HN 0.130 nan 8.240 nan 0.000 0.547 46 P HA 0.049 nan 4.420 nan 0.000 0.264 46 P C 0.876 177.978 177.300 -0.330 0.000 1.179 46 P CA -0.052 62.710 63.100 -0.563 0.000 0.763 46 P CB 0.402 31.653 31.700 -0.747 0.000 0.806 47 E N 1.902 122.021 120.200 -0.135 0.000 2.265 47 E HA -0.201 4.149 4.350 -0.001 0.000 0.196 47 E C 1.615 178.196 176.600 -0.031 0.000 0.996 47 E CA 1.153 57.522 56.400 -0.052 0.000 0.832 47 E CB -0.232 29.467 29.700 -0.001 0.000 0.756 47 E HN 0.640 nan 8.360 nan 0.000 0.491 48 H N -1.265 117.722 119.070 -0.138 0.000 2.502 48 H HA 0.057 4.612 4.556 -0.001 0.000 0.283 48 H C 2.002 177.243 175.328 -0.145 0.000 1.015 48 H CA 0.638 56.610 56.048 -0.126 0.000 1.298 48 H CB -0.473 29.208 29.762 -0.136 0.000 1.411 48 H HN -0.058 nan 8.280 nan 0.000 0.556 49 V N 1.777 121.323 119.914 -0.614 0.000 2.302 49 V HA -0.168 3.952 4.120 -0.001 0.000 0.243 49 V C 2.618 178.564 176.094 -0.246 0.000 1.036 49 V CA 1.612 63.585 62.300 -0.545 0.000 1.020 49 V CB -0.418 30.955 31.823 -0.749 0.000 0.657 49 V HN 0.241 nan 8.190 nan 0.000 0.453 50 K N 0.048 120.371 120.400 -0.129 0.000 2.074 50 K HA -0.298 4.021 4.320 -0.001 0.000 0.209 50 K C 2.186 178.827 176.600 0.067 0.000 1.048 50 K CA 2.114 58.458 56.287 0.095 0.000 0.926 50 K CB -0.218 32.330 32.500 0.081 0.000 0.713 50 K HN 0.434 nan 8.250 nan 0.000 0.444 51 E N 0.933 121.136 120.200 0.005 0.000 2.033 51 E HA -0.211 4.139 4.350 -0.001 0.000 0.199 51 E C 1.835 178.443 176.600 0.013 0.000 1.011 51 E CA 1.819 58.226 56.400 0.012 0.000 0.815 51 E CB -0.292 29.414 29.700 0.011 0.000 0.755 51 E HN 0.294 nan 8.360 nan 0.000 0.451 52 A N 0.685 123.503 122.820 -0.003 0.000 1.948 52 A HA -0.167 4.153 4.320 -0.001 0.000 0.220 52 A C 2.432 180.043 177.584 0.044 0.000 1.177 52 A CA 2.446 54.487 52.037 0.008 0.000 0.636 52 A CB -1.124 17.871 19.000 -0.008 0.000 0.815 52 A HN 0.424 nan 8.150 nan 0.000 0.449 53 A N -0.198 122.681 122.820 0.098 0.000 1.902 53 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 53 A C 2.232 179.872 177.584 0.094 0.000 1.181 53 A CA 1.503 53.651 52.037 0.184 0.000 0.623 53 A CB -0.476 18.756 19.000 0.388 0.000 0.818 53 A HN 0.577 nan 8.150 nan 0.000 0.443 54 R N -1.097 119.441 120.500 0.064 0.000 2.091 54 R HA -0.125 4.214 4.340 -0.001 0.000 0.238 54 R C 2.438 178.730 176.300 -0.014 0.000 1.136 54 R CA 1.608 57.721 56.100 0.022 0.000 0.959 54 R CB -0.289 30.021 30.300 0.017 0.000 0.856 54 R HN 0.431 nan 8.270 nan 0.000 0.437 55 R N 0.530 121.014 120.500 -0.026 0.000 2.096 55 R HA -0.106 4.234 4.340 -0.001 0.000 0.235 55 R C 2.213 178.439 176.300 -0.123 0.000 1.127 55 R CA 1.595 57.653 56.100 -0.070 0.000 0.968 55 R CB -0.281 29.974 30.300 -0.075 0.000 0.861 55 R HN 0.268 nan 8.270 nan 0.000 0.440 56 A N 0.245 122.991 122.820 -0.124 0.000 1.898 56 A HA -0.104 4.215 4.320 -0.001 0.000 0.216 56 A C 2.104 179.615 177.584 -0.122 0.000 1.181 56 A CA 1.036 52.951 52.037 -0.202 0.000 0.620 56 A CB -0.539 18.379 19.000 -0.137 0.000 0.819 56 A HN 0.279 nan 8.150 nan 0.000 0.442 57 L N -0.642 120.549 121.223 -0.052 0.000 2.012 57 L HA -0.257 4.082 4.340 -0.001 0.000 0.210 57 L C 3.155 179.993 176.870 -0.052 0.000 1.073 57 L CA 1.269 56.088 54.840 -0.036 0.000 0.748 57 L CB -0.557 41.491 42.059 -0.018 0.000 0.891 57 L HN 0.462 nan 8.230 nan 0.000 0.431 58 A N -0.831 121.954 122.820 -0.058 0.000 1.865 58 A HA -0.272 4.048 4.320 -0.001 0.000 0.217 58 A C 2.138 179.678 177.584 -0.075 0.000 1.191 58 A CA 1.641 53.643 52.037 -0.059 0.000 0.623 58 A CB -0.597 18.369 19.000 -0.056 0.000 0.826 58 A HN 0.488 nan 8.150 nan 0.000 0.444 59 Q N -1.525 118.209 119.800 -0.110 0.000 2.500 59 Q HA 0.083 4.422 4.340 -0.001 0.000 0.213 59 Q C 0.946 176.882 176.000 -0.107 0.000 0.974 59 Q CA 0.561 56.288 55.803 -0.127 0.000 0.918 59 Q CB -0.222 28.397 28.738 -0.199 0.000 0.980 59 Q HN 0.992 nan 8.270 nan 0.000 0.505 60 G N 1.966 110.713 108.800 -0.089 0.000 2.248 60 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.263 60 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.263 60 G C -0.174 174.694 174.900 -0.054 0.000 1.082 60 G CA -0.142 44.923 45.100 -0.058 0.000 0.863 60 G HN 0.099 nan 8.290 nan 0.000 0.495 61 K N 0.891 121.241 120.400 -0.084 0.000 2.518 61 K HA 0.288 4.607 4.320 -0.001 0.000 0.244 61 K C 1.200 177.834 176.600 0.057 0.000 1.232 61 K CA 0.557 56.819 56.287 -0.041 0.000 1.189 61 K CB 0.584 32.923 32.500 -0.268 0.000 1.737 61 K HN 0.487 nan 8.250 nan 0.000 0.333 62 T N -1.359 113.219 114.554 0.040 0.000 3.231 62 T HA 0.214 4.564 4.350 -0.001 0.000 0.292 62 T C 0.103 174.801 174.700 -0.003 0.000 1.001 62 T CA -0.335 61.781 62.100 0.027 0.000 0.920 62 T CB 0.251 69.115 68.868 -0.008 0.000 1.140 62 T HN -0.002 nan 8.240 nan 0.000 0.525 63 K N 0.518 120.940 120.400 0.035 0.000 2.240 63 K HA 0.543 4.863 4.320 -0.001 0.000 0.237 63 K C -0.775 175.874 176.600 0.081 0.000 1.027 63 K CA -1.006 55.287 56.287 0.010 0.000 0.937 63 K CB 0.275 32.813 32.500 0.064 0.000 1.171 63 K HN 0.275 nan 8.250 nan 0.000 0.479 64 Y N 0.803 121.138 120.300 0.060 0.000 2.632 64 Y HA 0.156 4.706 4.550 -0.001 0.000 0.329 64 Y C 0.706 176.641 175.900 0.058 0.000 1.174 64 Y CA -0.422 57.710 58.100 0.054 0.000 1.469 64 Y CB 0.513 38.998 38.460 0.042 0.000 1.242 64 Y HN 0.467 nan 8.280 nan 0.000 0.540 65 A N 6.240 129.202 122.820 0.237 0.000 2.252 65 A HA 0.621 4.941 4.320 -0.001 0.000 0.305 65 A C -2.517 175.120 177.584 0.088 0.000 1.097 65 A CA -1.949 50.167 52.037 0.131 0.000 0.849 65 A CB 0.244 19.296 19.000 0.086 0.000 1.142 65 A HN 0.481 nan 8.150 nan 0.000 0.499 66 P HA 0.141 nan 4.420 nan 0.000 0.272 66 P C -1.812 175.499 177.300 0.018 0.000 1.223 66 P CA -1.101 62.010 63.100 0.019 0.000 0.784 66 P CB 0.418 32.122 31.700 0.007 0.000 0.923 67 P HA -0.216 nan 4.420 nan 0.000 0.216 67 P C 0.702 178.014 177.300 0.020 0.000 1.150 67 P CA 1.703 64.811 63.100 0.013 0.000 0.837 67 P CB -0.067 31.635 31.700 0.003 0.000 0.786 68 A N -0.553 122.275 122.820 0.013 0.000 2.251 68 A HA 0.474 4.794 4.320 -0.001 0.000 0.209 68 A C 1.089 178.681 177.584 0.015 0.000 1.187 68 A CA 0.700 52.747 52.037 0.017 0.000 0.823 68 A CB -0.859 18.147 19.000 0.011 0.000 0.846 68 A HN 0.452 nan 8.150 nan 0.000 0.486 69 G N -0.427 108.376 108.800 0.005 0.000 2.612 69 G HA2 0.014 3.974 3.960 -0.001 0.000 0.686 69 G HA3 0.014 3.974 3.960 -0.001 0.000 0.686 69 G C -0.135 174.730 174.900 -0.059 0.000 1.274 69 G CA -0.539 44.550 45.100 -0.018 0.000 0.849 69 G HN 1.274 nan 8.290 nan 0.000 0.595 70 I N -0.893 119.598 120.570 -0.132 0.000 2.752 70 I HA 0.357 4.527 4.170 -0.001 0.000 0.287 70 I C -1.024 174.988 176.117 -0.175 0.000 1.188 70 I CA -1.429 59.752 61.300 -0.200 0.000 1.427 70 I CB 0.614 38.345 38.000 -0.448 0.000 1.365 70 I HN 0.294 nan 8.210 nan 0.000 0.585 71 P HA -0.185 nan 4.420 nan 0.000 0.213 71 P C 1.193 178.426 177.300 -0.112 0.000 1.170 71 P CA 1.669 64.718 63.100 -0.084 0.000 0.902 71 P CB 0.127 31.800 31.700 -0.045 0.000 0.789 72 E N -0.681 119.425 120.200 -0.157 0.000 2.114 72 E HA -0.199 4.150 4.350 -0.001 0.000 0.199 72 E C 2.012 178.513 176.600 -0.165 0.000 1.008 72 E CA 1.011 57.321 56.400 -0.150 0.000 0.810 72 E CB -1.090 28.494 29.700 -0.193 0.000 0.739 72 E HN 0.193 nan 8.360 nan 0.000 0.456 73 L N 0.054 121.138 121.223 -0.231 0.000 2.131 73 L HA -0.088 4.251 4.340 -0.001 0.000 0.206 73 L C 2.254 179.044 176.870 -0.133 0.000 1.087 73 L CA 1.111 55.838 54.840 -0.188 0.000 0.767 73 L CB -0.030 41.905 42.059 -0.207 0.000 0.917 73 L HN 0.105 nan 8.230 nan 0.000 0.441 74 R N -0.168 120.271 120.500 -0.101 0.000 2.073 74 R HA -0.177 4.163 4.340 -0.001 0.000 0.234 74 R C 2.054 178.328 176.300 -0.044 0.000 1.134 74 R CA 1.584 57.654 56.100 -0.051 0.000 0.952 74 R CB -0.250 30.033 30.300 -0.030 0.000 0.850 74 R HN 0.483 nan 8.270 nan 0.000 0.433 75 E N 0.552 120.721 120.200 -0.050 0.000 2.058 75 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 75 E C 2.000 178.574 176.600 -0.043 0.000 0.997 75 E CA 1.365 57.744 56.400 -0.034 0.000 0.801 75 E CB -0.157 29.524 29.700 -0.031 0.000 0.746 75 E HN 0.359 nan 8.360 nan 0.000 0.450 76 A N 0.861 123.638 122.820 -0.072 0.000 2.067 76 A HA -0.111 4.209 4.320 -0.001 0.000 0.219 76 A C 2.056 179.558 177.584 -0.136 0.000 1.158 76 A CA 0.708 52.692 52.037 -0.089 0.000 0.661 76 A CB -0.195 18.746 19.000 -0.098 0.000 0.801 76 A HN 0.089 nan 8.150 nan 0.000 0.452 77 L N -0.501 120.631 121.223 -0.152 0.000 2.049 77 L HA 0.062 4.402 4.340 -0.001 0.000 0.203 77 L C 2.821 179.659 176.870 -0.054 0.000 1.074 77 L CA 1.884 56.587 54.840 -0.229 0.000 0.749 77 L CB -1.162 40.796 42.059 -0.167 0.000 0.907 77 L HN 0.354 nan 8.230 nan 0.000 0.439 78 A N -1.232 121.624 122.820 0.060 0.000 2.076 78 A HA -0.227 4.092 4.320 -0.001 0.000 0.220 78 A C 2.204 179.848 177.584 0.099 0.000 1.160 78 A CA 1.781 53.900 52.037 0.136 0.000 0.653 78 A CB -0.416 18.625 19.000 0.069 0.000 0.801 78 A HN 0.453 nan 8.150 nan 0.000 0.455 79 E N 0.184 120.395 120.200 0.019 0.000 2.140 79 E HA -0.076 4.274 4.350 -0.001 0.000 0.191 79 E C 2.025 178.617 176.600 -0.013 0.000 0.973 79 E CA 1.187 57.590 56.400 0.004 0.000 0.829 79 E CB -0.184 29.504 29.700 -0.020 0.000 0.781 79 E HN 0.502 nan 8.360 nan 0.000 0.466 80 K N -0.034 120.306 120.400 -0.100 0.000 2.057 80 K HA -0.115 4.205 4.320 -0.001 0.000 0.206 80 K C 1.870 178.416 176.600 -0.090 0.000 1.050 80 K CA 1.097 57.293 56.287 -0.151 0.000 0.935 80 K CB -0.563 31.730 32.500 -0.344 0.000 0.715 80 K HN 0.251 nan 8.250 nan 0.000 0.439 81 F N 1.012 120.945 119.950 -0.029 0.000 2.333 81 F HA -0.085 4.442 4.527 -0.001 0.000 0.300 81 F C 2.706 178.499 175.800 -0.011 0.000 1.083 81 F CA 0.682 58.672 58.000 -0.017 0.000 1.395 81 F CB 0.128 39.114 39.000 -0.023 0.000 1.056 81 F HN 0.039 nan 8.300 nan 0.000 0.529 82 R N -0.346 120.248 120.500 0.156 0.000 2.062 82 R HA 0.054 4.393 4.340 -0.001 0.000 0.218 82 R C 2.263 178.604 176.300 0.069 0.000 1.161 82 R CA 0.278 56.433 56.100 0.092 0.000 0.994 82 R CB -0.319 30.019 30.300 0.064 0.000 0.888 82 R HN 0.106 nan 8.270 nan 0.000 0.442 83 R N 1.193 121.725 120.500 0.052 0.000 2.132 83 R HA -0.206 4.133 4.340 -0.001 0.000 0.233 83 R C 2.088 178.422 176.300 0.057 0.000 1.125 83 R CA 2.277 58.403 56.100 0.043 0.000 0.914 83 R CB -0.204 30.113 30.300 0.028 0.000 0.845 83 R HN 0.325 nan 8.270 nan 0.000 0.431 84 E N -0.901 119.336 120.200 0.062 0.000 2.208 84 E HA -0.110 4.239 4.350 -0.001 0.000 0.193 84 E C 1.186 177.838 176.600 0.087 0.000 0.988 84 E CA 1.130 57.577 56.400 0.078 0.000 0.828 84 E CB 0.021 29.769 29.700 0.080 0.000 0.763 84 E HN 0.489 nan 8.360 nan 0.000 0.478 85 N N -1.359 117.401 118.700 0.101 0.000 2.257 85 N HA 0.109 4.848 4.740 -0.001 0.000 0.200 85 N C 0.829 176.362 175.510 0.038 0.000 1.163 85 N CA 0.343 53.448 53.050 0.091 0.000 0.891 85 N CB 1.649 40.234 38.487 0.163 0.000 1.067 85 N HN 0.160 nan 8.380 nan 0.000 0.497 86 G N 0.672 109.502 108.800 0.049 0.000 2.179 86 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.260 86 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.260 86 G C -0.209 174.696 174.900 0.009 0.000 0.977 86 G CA -0.090 45.026 45.100 0.027 0.000 0.641 86 G HN 0.065 nan 8.290 nan 0.000 0.533 87 L N 1.276 122.509 121.223 0.017 0.000 2.436 87 L HA 0.611 4.951 4.340 -0.001 0.000 0.265 87 L C 0.845 177.720 176.870 0.009 0.000 1.168 87 L CA 0.522 55.351 54.840 -0.019 0.000 0.815 87 L CB 1.744 43.769 42.059 -0.056 0.000 1.109 87 L HN 0.106 nan 8.230 nan 0.000 0.462 88 S N 1.340 117.034 115.700 -0.010 0.000 2.060 88 S HA 0.430 4.900 4.470 -0.001 0.000 0.156 88 S C -0.349 174.247 174.600 -0.006 0.000 1.690 88 S CA -0.696 57.506 58.200 0.004 0.000 1.238 88 S CB 0.410 63.612 63.200 0.003 0.000 1.150 88 S HN 0.412 nan 8.310 nan 0.000 0.437 89 V N -0.040 119.872 119.914 -0.003 0.000 2.966 89 V HA 0.914 5.033 4.120 -0.001 0.000 0.317 89 V C 0.235 176.336 176.094 0.012 0.000 1.070 89 V CA -0.670 61.622 62.300 -0.014 0.000 1.008 89 V CB 1.415 33.209 31.823 -0.048 0.000 1.070 89 V HN 0.554 nan 8.190 nan 0.000 0.457 90 T N -1.141 113.417 114.554 0.006 0.000 2.949 90 T HA 0.602 4.951 4.350 -0.001 0.000 0.287 90 T C -1.676 173.034 174.700 0.016 0.000 1.034 90 T CA -1.680 60.427 62.100 0.012 0.000 1.018 90 T CB 1.619 70.490 68.868 0.005 0.000 1.135 90 T HN 0.613 nan 8.240 nan 0.000 0.532 91 P HA -0.054 nan 4.420 nan 0.000 0.225 91 P C 0.933 178.239 177.300 0.010 0.000 1.148 91 P CA 0.946 64.054 63.100 0.014 0.000 0.779 91 P CB 0.211 31.913 31.700 0.003 0.000 0.780 92 E N 0.378 120.581 120.200 0.005 0.000 2.285 92 E HA -0.063 4.287 4.350 -0.001 0.000 0.194 92 E C 0.734 177.334 176.600 0.000 0.000 0.997 92 E CA 0.644 57.045 56.400 0.002 0.000 0.845 92 E CB 0.051 29.752 29.700 0.000 0.000 0.782 92 E HN 0.560 nan 8.360 nan 0.000 0.491 93 E N 0.920 121.119 120.200 -0.003 0.000 2.405 93 E HA 0.136 4.486 4.350 -0.001 0.000 0.214 93 E C -0.423 176.167 176.600 -0.017 0.000 1.101 93 E CA -0.004 56.386 56.400 -0.017 0.000 1.254 93 E CB 0.759 30.442 29.700 -0.029 0.000 1.240 93 E HN -0.151 nan 8.360 nan 0.000 0.439 94 T N 1.102 115.665 114.554 0.014 0.000 2.933 94 T HA 0.549 4.898 4.350 -0.001 0.000 0.305 94 T C -1.376 173.361 174.700 0.061 0.000 1.092 94 T CA -0.467 61.668 62.100 0.059 0.000 1.008 94 T CB 1.733 70.659 68.868 0.096 0.000 1.102 94 T HN 0.148 nan 8.240 nan 0.000 0.469 95 I N 2.782 123.412 120.570 0.099 0.000 2.752 95 I HA 0.706 4.875 4.170 -0.001 0.000 0.295 95 I C -1.373 174.830 176.117 0.143 0.000 1.219 95 I CA -0.933 60.419 61.300 0.087 0.000 1.030 95 I CB 1.857 39.890 38.000 0.055 0.000 1.259 95 I HN 0.423 nan 8.210 nan 0.000 0.423 96 V N 7.271 127.255 119.914 0.116 0.000 2.334 96 V HA 0.592 4.711 4.120 -0.001 0.000 0.281 96 V C 0.002 176.160 176.094 0.107 0.000 1.016 96 V CA 0.214 62.608 62.300 0.157 0.000 0.832 96 V CB 1.547 33.451 31.823 0.135 0.000 0.999 96 V HN 0.880 nan 8.190 nan 0.000 0.439 97 T N 3.105 117.720 114.554 0.101 0.000 2.923 97 T HA 0.497 4.846 4.350 -0.001 0.000 0.281 97 T C 0.187 174.923 174.700 0.060 0.000 0.995 97 T CA -0.638 61.505 62.100 0.070 0.000 0.985 97 T CB 1.564 70.468 68.868 0.060 0.000 1.114 97 T HN 0.507 nan 8.240 nan 0.000 0.548 98 V N 2.132 122.080 119.914 0.057 0.000 1.935 98 V HA 0.490 4.609 4.120 -0.001 0.000 0.262 98 V C 1.314 177.430 176.094 0.036 0.000 1.726 98 V CA 0.797 63.128 62.300 0.051 0.000 1.656 98 V CB -1.661 30.190 31.823 0.046 0.000 1.532 98 V HN 1.442 nan 8.190 nan 0.000 0.509 99 G N 2.303 111.114 108.800 0.018 0.000 2.699 99 G HA2 0.053 4.012 3.960 -0.001 0.000 0.686 99 G HA3 0.053 4.012 3.960 -0.001 0.000 0.686 99 G C 0.611 175.493 174.900 -0.030 0.000 1.301 99 G CA -0.404 44.688 45.100 -0.013 0.000 0.816 99 G HN 0.805 nan 8.290 nan 0.000 0.595 100 G N -0.409 108.349 108.800 -0.070 0.000 2.498 100 G HA2 0.124 4.084 3.960 -0.001 0.000 0.219 100 G HA3 0.124 4.084 3.960 -0.001 0.000 0.219 100 G C 1.927 176.858 174.900 0.053 0.000 1.119 100 G CA 2.153 47.221 45.100 -0.053 0.000 0.766 100 G HN 1.130 nan 8.290 nan 0.000 0.552 101 S N 0.138 115.889 115.700 0.083 0.000 2.329 101 S HA -0.140 4.330 4.470 -0.001 0.000 0.215 101 S C 2.206 176.891 174.600 0.143 0.000 1.031 101 S CA 1.353 59.648 58.200 0.159 0.000 0.985 101 S CB -0.391 62.885 63.200 0.127 0.000 0.917 101 S HN 0.566 nan 8.310 nan 0.000 0.441 102 Q N 1.130 120.986 119.800 0.093 0.000 2.308 102 Q HA -0.141 4.198 4.340 -0.001 0.000 0.209 102 Q C 1.819 177.898 176.000 0.132 0.000 0.985 102 Q CA 1.435 57.313 55.803 0.124 0.000 0.881 102 Q CB -0.292 28.494 28.738 0.079 0.000 0.917 102 Q HN 0.532 nan 8.270 nan 0.000 0.443 103 A N 0.338 123.205 122.820 0.078 0.000 1.843 103 A HA -0.076 4.243 4.320 -0.001 0.000 0.213 103 A C 1.984 179.557 177.584 -0.017 0.000 1.202 103 A CA 1.044 53.098 52.037 0.029 0.000 0.607 103 A CB -0.704 18.305 19.000 0.015 0.000 0.847 103 A HN 0.437 nan 8.150 nan 0.000 0.445 104 L N -1.773 119.460 121.223 0.016 0.000 2.079 104 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 104 L C 2.438 179.260 176.870 -0.080 0.000 1.081 104 L CA 1.629 56.417 54.840 -0.086 0.000 0.752 104 L CB -0.455 41.720 42.059 0.193 0.000 0.896 104 L HN 0.528 nan 8.230 nan 0.000 0.433 105 F N 1.280 121.227 119.950 -0.006 0.000 2.022 105 F HA -0.198 4.329 4.527 -0.001 0.000 0.293 105 F C 2.348 178.163 175.800 0.024 0.000 1.142 105 F CA 1.695 59.732 58.000 0.062 0.000 1.177 105 F CB -0.468 38.556 39.000 0.039 0.000 0.982 105 F HN 0.058 nan 8.300 nan 0.000 0.473 106 N N 0.957 119.696 118.700 0.064 0.000 2.405 106 N HA -0.211 4.528 4.740 -0.001 0.000 0.189 106 N C 1.965 177.389 175.510 -0.143 0.000 1.021 106 N CA 1.155 54.169 53.050 -0.060 0.000 0.891 106 N CB -0.595 37.916 38.487 0.040 0.000 0.955 106 N HN 0.445 nan 8.380 nan 0.000 0.443 107 L N -0.687 120.408 121.223 -0.214 0.000 1.993 107 L HA -0.026 4.314 4.340 -0.001 0.000 0.206 107 L C 1.550 178.277 176.870 -0.238 0.000 1.074 107 L CA 1.093 55.751 54.840 -0.303 0.000 0.746 107 L CB -0.371 41.384 42.059 -0.506 0.000 0.896 107 L HN 0.041 nan 8.230 nan 0.000 0.435 108 F N -0.197 119.675 119.950 -0.130 0.000 2.346 108 F HA -0.252 4.274 4.527 -0.001 0.000 0.301 108 F C 2.635 178.327 175.800 -0.180 0.000 1.070 108 F CA 0.440 58.356 58.000 -0.140 0.000 1.407 108 F CB -0.092 38.850 39.000 -0.095 0.000 1.072 108 F HN 0.330 nan 8.300 nan 0.000 0.543 109 Q N -0.147 119.596 119.800 -0.094 0.000 2.269 109 Q HA 0.025 4.364 4.340 -0.001 0.000 0.201 109 Q C 2.440 178.390 176.000 -0.083 0.000 0.946 109 Q CA 1.036 56.753 55.803 -0.144 0.000 0.877 109 Q CB -0.191 28.385 28.738 -0.270 0.000 0.963 109 Q HN 0.451 nan 8.270 nan 0.000 0.472 110 A N 1.105 123.871 122.820 -0.090 0.000 1.935 110 A HA -0.001 4.319 4.320 -0.001 0.000 0.214 110 A C 1.925 179.464 177.584 -0.075 0.000 1.178 110 A CA 0.712 52.700 52.037 -0.082 0.000 0.640 110 A CB -0.264 18.673 19.000 -0.105 0.000 0.825 110 A HN 0.357 nan 8.150 nan 0.000 0.447 111 I N -3.410 117.106 120.570 -0.089 0.000 4.785 111 I HA 0.243 4.413 4.170 -0.001 0.000 0.227 111 I C -0.011 176.113 176.117 0.013 0.000 0.968 111 I CA -0.724 60.538 61.300 -0.064 0.000 1.561 111 I CB -0.989 36.905 38.000 -0.176 0.000 1.418 111 I HN -0.059 nan 8.210 nan 0.000 0.449 112 L N 3.064 124.314 121.223 0.045 0.000 3.505 112 L HA -0.169 4.171 4.340 -0.001 0.000 0.392 112 L C -0.575 176.293 176.870 -0.003 0.000 1.042 112 L CA 1.167 56.020 54.840 0.022 0.000 0.788 112 L CB -2.216 39.846 42.059 0.004 0.000 1.235 112 L HN 0.575 nan 8.230 nan 0.000 0.694 113 D N 5.335 125.733 120.400 -0.004 0.000 2.433 113 D HA 0.460 5.100 4.640 -0.001 0.000 0.236 113 D C -2.444 173.841 176.300 -0.025 0.000 1.026 113 D CA -1.939 52.054 54.000 -0.012 0.000 0.884 113 D CB 1.767 42.568 40.800 0.002 0.000 1.384 113 D HN 0.155 nan 8.370 nan 0.000 0.477 114 P HA 0.091 nan 4.420 nan 0.000 0.259 114 P C 0.607 177.885 177.300 -0.036 0.000 1.163 114 P CA 1.116 64.192 63.100 -0.041 0.000 0.760 114 P CB 0.406 32.082 31.700 -0.040 0.000 0.762 115 G N 2.196 110.970 108.800 -0.044 0.000 2.225 115 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.254 115 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.254 115 G C 0.010 174.885 174.900 -0.043 0.000 0.988 115 G CA -0.234 44.841 45.100 -0.041 0.000 0.625 115 G HN 0.503 nan 8.290 nan 0.000 0.527 116 D N 1.832 122.208 120.400 -0.041 0.000 2.424 116 D HA 0.417 5.056 4.640 -0.001 0.000 0.244 116 D C 0.699 176.958 176.300 -0.068 0.000 1.134 116 D CA 0.382 54.359 54.000 -0.038 0.000 0.881 116 D CB 0.683 41.473 40.800 -0.016 0.000 1.191 116 D HN 0.568 nan 8.370 nan 0.000 0.445 117 E N 0.479 120.633 120.200 -0.078 0.000 2.266 117 E HA 0.425 4.775 4.350 -0.001 0.000 0.277 117 E C -0.695 175.822 176.600 -0.138 0.000 1.018 117 E CA -0.801 55.533 56.400 -0.111 0.000 0.840 117 E CB 1.876 31.509 29.700 -0.112 0.000 1.082 117 E HN 0.068 nan 8.360 nan 0.000 0.395 118 V N 4.618 124.431 119.914 -0.167 0.000 2.407 118 V HA 0.275 4.395 4.120 -0.001 0.000 0.291 118 V C 0.002 175.986 176.094 -0.182 0.000 1.018 118 V CA -0.643 61.547 62.300 -0.183 0.000 0.842 118 V CB 1.086 32.745 31.823 -0.273 0.000 0.996 118 V HN 0.613 nan 8.190 nan 0.000 0.426 119 I N 4.879 125.344 120.570 -0.175 0.000 2.588 119 I HA 0.327 4.496 4.170 -0.001 0.000 0.283 119 I C -0.337 175.708 176.117 -0.120 0.000 1.119 119 I CA 0.050 61.261 61.300 -0.148 0.000 1.419 119 I CB 1.280 39.184 38.000 -0.159 0.000 1.394 119 I HN 0.275 nan 8.210 nan 0.000 0.562 120 V N 7.192 127.037 119.914 -0.115 0.000 2.686 120 V HA 0.296 4.416 4.120 -0.001 0.000 0.306 120 V C -0.451 175.634 176.094 -0.015 0.000 1.065 120 V CA -0.645 61.587 62.300 -0.114 0.000 0.894 120 V CB 2.164 33.827 31.823 -0.266 0.000 1.004 120 V HN 0.393 nan 8.190 nan 0.000 0.424 121 L N 4.606 125.880 121.223 0.084 0.000 2.270 121 L HA 0.451 4.791 4.340 -0.001 0.000 0.286 121 L C 0.777 177.825 176.870 0.296 0.000 1.059 121 L CA 0.226 55.167 54.840 0.169 0.000 0.839 121 L CB 0.933 43.079 42.059 0.144 0.000 1.221 121 L HN 0.741 nan 8.230 nan 0.000 0.431 122 S N 2.759 118.659 115.700 0.333 0.000 2.580 122 S HA 0.519 4.988 4.470 -0.001 0.000 0.274 122 S C -2.500 172.174 174.600 0.124 0.000 1.329 122 S CA -1.407 56.962 58.200 0.282 0.000 1.036 122 S CB 0.489 63.835 63.200 0.244 0.000 0.919 122 S HN 0.271 nan 8.310 nan 0.000 0.515 123 P HA 0.227 nan 4.420 nan 0.000 0.267 123 P C -0.986 176.301 177.300 -0.022 0.000 1.205 123 P CA 0.010 62.989 63.100 -0.201 0.000 0.765 123 P CB -0.086 31.355 31.700 -0.432 0.000 0.828 124 Y N 0.909 121.275 120.300 0.110 0.000 2.536 124 Y HA 0.606 5.155 4.550 -0.001 0.000 0.347 124 Y C -0.850 175.240 175.900 0.316 0.000 1.000 124 Y CA -2.252 55.984 58.100 0.226 0.000 1.051 124 Y CB 0.438 39.036 38.460 0.231 0.000 1.259 124 Y HN 0.333 nan 8.280 nan 0.000 0.468 125 W N 4.793 126.296 121.300 0.339 0.000 2.397 125 W HA 0.267 4.926 4.660 -0.001 0.000 0.327 125 W C 0.706 177.172 176.519 -0.088 0.000 1.421 125 W CA -0.463 56.922 57.345 0.067 0.000 1.288 125 W CB 0.484 29.798 29.460 -0.243 0.000 1.312 125 W HN 0.678 nan 8.180 nan 0.000 0.559 126 V N 4.542 123.984 119.914 -0.787 0.000 2.277 126 V HA -0.467 3.652 4.120 -0.001 0.000 0.261 126 V C 2.279 177.892 176.094 -0.802 0.000 1.091 126 V CA 2.806 64.556 62.300 -0.916 0.000 1.090 126 V CB -1.340 29.909 31.823 -0.957 0.000 0.704 126 V HN 0.764 nan 8.190 nan 0.000 0.455 127 S N -2.416 112.424 115.700 -1.432 0.000 2.489 127 S HA -0.030 4.439 4.470 -0.001 0.000 0.228 127 S C 1.557 175.845 174.600 -0.519 0.000 0.995 127 S CA 0.723 58.304 58.200 -1.031 0.000 0.934 127 S CB -0.325 62.126 63.200 -1.248 0.000 0.771 127 S HN 0.702 nan 8.310 nan 0.000 0.522 128 Y N 2.244 122.331 120.300 -0.355 0.000 2.097 128 Y HA -0.153 4.397 4.550 -0.001 0.000 0.282 128 Y C 0.014 175.791 175.900 -0.206 0.000 1.152 128 Y CA 1.189 59.222 58.100 -0.111 0.000 1.136 128 Y CB -1.520 36.921 38.460 -0.032 0.000 0.975 128 Y HN 0.314 nan 8.280 nan 0.000 0.498 129 P HA -0.165 nan 4.420 nan 0.000 0.215 129 P C 1.045 178.288 177.300 -0.095 0.000 1.157 129 P CA 1.618 64.617 63.100 -0.169 0.000 0.863 129 P CB 0.036 31.623 31.700 -0.188 0.000 0.787 130 E N 0.456 120.606 120.200 -0.083 0.000 2.070 130 E HA -0.185 4.165 4.350 -0.001 0.000 0.197 130 E C 2.160 178.803 176.600 0.072 0.000 1.004 130 E CA 1.695 58.080 56.400 -0.025 0.000 0.805 130 E CB -0.801 28.844 29.700 -0.092 0.000 0.744 130 E HN 0.489 nan 8.360 nan 0.000 0.451 131 M N -1.304 118.343 119.600 0.078 0.000 2.447 131 M HA 0.041 4.520 4.480 -0.001 0.000 0.264 131 M C 2.074 178.442 176.300 0.113 0.000 1.095 131 M CA 0.765 56.206 55.300 0.235 0.000 1.125 131 M CB -0.176 32.658 32.600 0.391 0.000 1.389 131 M HN -0.176 nan 8.290 nan 0.000 0.459 132 V N 1.997 121.822 119.914 -0.147 0.000 2.244 132 V HA -0.203 3.916 4.120 -0.001 0.000 0.244 132 V C 2.633 178.624 176.094 -0.171 0.000 1.042 132 V CA 2.064 64.102 62.300 -0.437 0.000 1.006 132 V CB -0.748 30.798 31.823 -0.462 0.000 0.641 132 V HN 0.526 nan 8.190 nan 0.000 0.446 133 R N -0.929 119.520 120.500 -0.085 0.000 2.105 133 R HA -0.203 4.136 4.340 -0.001 0.000 0.239 133 R C 2.219 178.538 176.300 0.030 0.000 1.135 133 R CA 1.941 58.022 56.100 -0.032 0.000 0.967 133 R CB -0.615 29.675 30.300 -0.018 0.000 0.861 133 R HN 0.488 nan 8.270 nan 0.000 0.442 134 F N 1.242 121.188 119.950 -0.006 0.000 2.202 134 F HA -0.193 4.333 4.527 -0.001 0.000 0.301 134 F C 2.197 178.010 175.800 0.022 0.000 1.082 134 F CA 1.437 59.468 58.000 0.053 0.000 1.313 134 F CB -0.051 39.053 39.000 0.174 0.000 1.024 134 F HN 0.002 nan 8.300 nan 0.000 0.495 135 A N -0.788 122.090 122.820 0.096 0.000 2.123 135 A HA 0.372 4.692 4.320 -0.001 0.000 0.214 135 A C 1.764 179.307 177.584 -0.070 0.000 1.152 135 A CA 0.906 52.936 52.037 -0.012 0.000 0.728 135 A CB -0.878 18.114 19.000 -0.013 0.000 0.814 135 A HN 0.854 nan 8.150 nan 0.000 0.464 136 G N -2.212 106.540 108.800 -0.080 0.000 2.148 136 G HA2 0.101 4.060 3.960 -0.001 0.000 0.157 136 G HA3 0.101 4.060 3.960 -0.001 0.000 0.157 136 G C 0.635 175.486 174.900 -0.081 0.000 1.012 136 G CA 0.110 45.160 45.100 -0.084 0.000 0.677 136 G HN 1.150 nan 8.290 nan 0.000 0.506 137 G N -1.151 107.589 108.800 -0.100 0.000 2.553 137 G HA2 0.631 4.590 3.960 -0.001 0.000 0.278 137 G HA3 0.631 4.590 3.960 -0.001 0.000 0.278 137 G C -0.384 174.447 174.900 -0.114 0.000 1.349 137 G CA 0.083 45.108 45.100 -0.126 0.000 1.037 137 G HN 1.082 nan 8.290 nan 0.000 0.508 138 V N 0.021 119.858 119.914 -0.128 0.000 2.559 138 V HA 0.191 4.310 4.120 -0.001 0.000 0.289 138 V C -0.060 175.955 176.094 -0.131 0.000 1.036 138 V CA -0.636 61.599 62.300 -0.107 0.000 0.887 138 V CB 1.487 33.259 31.823 -0.084 0.000 1.022 138 V HN 0.533 nan 8.190 nan 0.000 0.442 139 V N 5.605 125.438 119.914 -0.135 0.000 2.529 139 V HA 0.216 4.335 4.120 -0.001 0.000 0.292 139 V C 0.129 176.154 176.094 -0.115 0.000 1.028 139 V CA 0.225 62.432 62.300 -0.156 0.000 1.074 139 V CB 1.501 33.223 31.823 -0.168 0.000 0.958 139 V HN 0.593 nan 8.190 nan 0.000 0.481 140 V N 6.043 125.885 119.914 -0.120 0.000 2.380 140 V HA 0.352 4.471 4.120 -0.001 0.000 0.286 140 V C -0.048 175.997 176.094 -0.080 0.000 1.015 140 V CA -0.696 61.552 62.300 -0.087 0.000 0.834 140 V CB 1.651 33.414 31.823 -0.100 0.000 1.009 140 V HN 1.043 nan 8.190 nan 0.000 0.428 141 E N 4.592 124.769 120.200 -0.038 0.000 2.204 141 E HA 0.760 5.109 4.350 -0.001 0.000 0.276 141 E C -1.341 175.280 176.600 0.035 0.000 0.974 141 E CA -0.829 55.570 56.400 -0.001 0.000 0.815 141 E CB 2.337 32.069 29.700 0.053 0.000 1.119 141 E HN 0.290 nan 8.360 nan 0.000 0.393 142 V N 2.246 122.189 119.914 0.049 0.000 2.409 142 V HA 0.197 4.316 4.120 -0.001 0.000 0.291 142 V C -0.041 176.107 176.094 0.091 0.000 1.020 142 V CA -0.918 61.413 62.300 0.052 0.000 0.848 142 V CB 1.005 32.841 31.823 0.022 0.000 0.990 142 V HN 0.861 nan 8.190 nan 0.000 0.430 143 E N 3.566 123.824 120.200 0.096 0.000 2.408 143 E HA 0.396 4.745 4.350 -0.001 0.000 0.259 143 E C 0.012 176.676 176.600 0.107 0.000 1.110 143 E CA -0.020 56.450 56.400 0.117 0.000 0.929 143 E CB 1.039 30.807 29.700 0.114 0.000 0.971 143 E HN 0.843 nan 8.360 nan 0.000 0.438 144 T N 2.594 117.241 114.554 0.155 0.000 2.930 144 T HA 0.389 4.738 4.350 -0.001 0.000 0.313 144 T C -0.457 174.351 174.700 0.181 0.000 1.019 144 T CA -1.091 61.105 62.100 0.160 0.000 1.004 144 T CB 0.254 69.262 68.868 0.232 0.000 0.987 144 T HN 0.253 nan 8.240 nan 0.000 0.456 145 L N 5.195 126.433 121.223 0.025 0.000 2.483 145 L HA 0.266 4.605 4.340 -0.001 0.000 0.275 145 L C -0.762 175.838 176.870 -0.450 0.000 1.220 145 L CA -1.868 52.915 54.840 -0.095 0.000 0.833 145 L CB -0.061 41.953 42.059 -0.075 0.000 1.102 145 L HN 0.438 nan 8.230 nan 0.000 0.490 146 P HA -0.100 nan 4.420 nan 0.000 0.224 146 P C 1.000 177.950 177.300 -0.584 0.000 1.157 146 P CA 0.866 63.184 63.100 -1.303 0.000 0.799 146 P CB 0.257 31.475 31.700 -0.803 0.000 0.809 147 E N 2.085 122.103 120.200 -0.303 0.000 2.110 147 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 147 E C 1.127 177.640 176.600 -0.145 0.000 0.988 147 E CA 1.226 57.528 56.400 -0.163 0.000 0.804 147 E CB -1.063 28.580 29.700 -0.096 0.000 0.745 147 E HN 0.516 nan 8.360 nan 0.000 0.458 148 E N 0.894 120.997 120.200 -0.161 0.000 2.296 148 E HA 0.280 4.630 4.350 -0.001 0.000 0.196 148 E C 0.704 177.239 176.600 -0.107 0.000 1.143 148 E CA 0.162 56.499 56.400 -0.104 0.000 1.145 148 E CB -0.311 29.345 29.700 -0.074 0.000 1.215 148 E HN 0.284 nan 8.360 nan 0.000 0.447 149 G N 1.242 109.945 108.800 -0.162 0.000 2.361 149 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.294 149 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.294 149 G C 0.357 175.291 174.900 0.057 0.000 1.004 149 G CA 0.445 45.491 45.100 -0.089 0.000 0.870 149 G HN 0.606 nan 8.290 nan 0.000 0.510 150 F N -4.277 115.697 119.950 0.039 0.000 3.084 150 F HA -0.233 4.293 4.527 -0.001 0.000 0.286 150 F C 0.841 176.695 175.800 0.090 0.000 0.855 150 F CA 0.648 58.681 58.000 0.056 0.000 1.091 150 F CB -1.629 37.408 39.000 0.063 0.000 1.177 150 F HN 0.284 nan 8.300 nan 0.000 0.542 151 V N 1.547 121.545 119.914 0.140 0.000 2.417 151 V HA 0.381 4.500 4.120 -0.001 0.000 0.291 151 V C -1.478 174.507 176.094 -0.181 0.000 1.024 151 V CA -1.768 60.494 62.300 -0.064 0.000 0.861 151 V CB 1.730 33.573 31.823 0.034 0.000 0.985 151 V HN -0.130 nan 8.190 nan 0.000 0.436 152 P HA 0.006 nan 4.420 nan 0.000 0.266 152 P C -0.981 176.235 177.300 -0.140 0.000 1.193 152 P CA 0.104 63.068 63.100 -0.227 0.000 0.770 152 P CB 0.750 32.267 31.700 -0.305 0.000 0.836 153 D N 3.056 123.410 120.400 -0.076 0.000 2.392 153 D HA 0.261 4.901 4.640 -0.001 0.000 0.228 153 D C -1.760 174.517 176.300 -0.038 0.000 1.074 153 D CA -2.659 51.312 54.000 -0.048 0.000 0.838 153 D CB 0.889 41.671 40.800 -0.030 0.000 1.067 153 D HN -0.003 nan 8.370 nan 0.000 0.511 154 P HA -0.181 nan 4.420 nan 0.000 0.216 154 P C 1.077 178.374 177.300 -0.005 0.000 1.157 154 P CA 0.995 64.086 63.100 -0.016 0.000 0.880 154 P CB 0.317 32.011 31.700 -0.010 0.000 0.791 155 E N -0.470 119.728 120.200 -0.004 0.000 2.130 155 E HA -0.226 4.123 4.350 -0.001 0.000 0.196 155 E C 2.028 178.628 176.600 -0.000 0.000 0.998 155 E CA 1.423 57.825 56.400 0.002 0.000 0.806 155 E CB -0.462 29.239 29.700 0.002 0.000 0.738 155 E HN 0.476 nan 8.360 nan 0.000 0.459 156 R N -0.207 120.290 120.500 -0.006 0.000 2.173 156 R HA 0.094 4.433 4.340 -0.001 0.000 0.208 156 R C 2.124 178.415 176.300 -0.015 0.000 1.035 156 R CA 0.590 56.686 56.100 -0.007 0.000 1.004 156 R CB -0.451 29.847 30.300 -0.003 0.000 0.917 156 R HN -0.086 nan 8.270 nan 0.000 0.462 157 V N 1.560 121.463 119.914 -0.018 0.000 2.626 157 V HA -0.135 3.984 4.120 -0.001 0.000 0.252 157 V C 2.652 178.719 176.094 -0.045 0.000 1.067 157 V CA 1.906 64.191 62.300 -0.026 0.000 1.081 157 V CB -0.661 31.154 31.823 -0.014 0.000 0.686 157 V HN 0.395 nan 8.190 nan 0.000 0.468 158 R N 1.570 122.051 120.500 -0.033 0.000 2.062 158 R HA -0.145 4.194 4.340 -0.001 0.000 0.231 158 R C 2.038 178.303 176.300 -0.058 0.000 1.136 158 R CA 1.519 57.588 56.100 -0.052 0.000 0.948 158 R CB -0.221 30.081 30.300 0.005 0.000 0.845 158 R HN 0.601 nan 8.270 nan 0.000 0.430 159 R N -0.018 120.467 120.500 -0.025 0.000 3.441 159 R HA 0.122 4.461 4.340 -0.001 0.000 0.225 159 R C 0.378 176.658 176.300 -0.034 0.000 1.756 159 R CA 0.641 56.730 56.100 -0.019 0.000 1.504 159 R CB 0.273 30.571 30.300 -0.003 0.000 1.183 159 R HN 0.199 nan 8.270 nan 0.000 0.567 160 A N 0.521 123.302 122.820 -0.065 0.000 2.606 160 A HA 0.302 4.622 4.320 -0.001 0.000 0.230 160 A C 0.415 177.926 177.584 -0.121 0.000 1.279 160 A CA -0.525 51.466 52.037 -0.077 0.000 1.010 160 A CB 0.544 19.499 19.000 -0.075 0.000 1.271 160 A HN 0.272 nan 8.150 nan 0.000 0.584 161 I N 2.324 122.805 120.570 -0.149 0.000 2.529 161 I HA 0.344 4.513 4.170 -0.001 0.000 0.284 161 I C 0.687 176.747 176.117 -0.096 0.000 1.082 161 I CA 0.334 61.511 61.300 -0.204 0.000 1.406 161 I CB 1.455 39.267 38.000 -0.313 0.000 1.405 161 I HN 0.370 nan 8.210 nan 0.000 0.548 162 T N 2.743 117.243 114.554 -0.090 0.000 2.865 162 T HA 0.418 4.767 4.350 -0.001 0.000 0.294 162 T C -2.275 172.415 174.700 -0.016 0.000 1.119 162 T CA -1.629 60.451 62.100 -0.033 0.000 1.007 162 T CB 2.025 70.867 68.868 -0.044 0.000 1.225 162 T HN 0.353 nan 8.240 nan 0.000 0.515 163 P HA 0.075 nan 4.420 nan 0.000 0.239 163 P C 0.768 178.073 177.300 0.009 0.000 1.184 163 P CA 0.400 63.516 63.100 0.026 0.000 0.760 163 P CB 0.151 31.867 31.700 0.027 0.000 0.884 164 R N -1.165 119.324 120.500 -0.018 0.000 2.265 164 R HA 0.122 4.462 4.340 -0.001 0.000 0.194 164 R C 0.533 176.803 176.300 -0.050 0.000 0.931 164 R CA 0.160 56.245 56.100 -0.026 0.000 1.032 164 R CB -0.150 30.129 30.300 -0.034 0.000 0.980 164 R HN 0.043 nan 8.270 nan 0.000 0.497 165 T N 1.748 116.245 114.554 -0.094 0.000 2.758 165 T HA -0.030 4.319 4.350 -0.001 0.000 0.281 165 T C 0.861 175.475 174.700 -0.143 0.000 0.963 165 T CA 0.798 62.781 62.100 -0.195 0.000 1.201 165 T CB 0.792 69.444 68.868 -0.361 0.000 0.906 165 T HN 0.167 nan 8.240 nan 0.000 0.528 166 K N 1.564 121.917 120.400 -0.077 0.000 2.399 166 K HA 0.485 4.804 4.320 -0.001 0.000 0.196 166 K C 0.390 177.137 176.600 0.245 0.000 1.103 166 K CA -0.023 56.327 56.287 0.105 0.000 0.986 166 K CB 0.584 33.159 32.500 0.126 0.000 0.952 166 K HN 0.665 nan 8.250 nan 0.000 0.541 167 A N 0.985 123.860 122.820 0.092 0.000 2.594 167 A HA 0.580 4.899 4.320 -0.001 0.000 0.295 167 A C -2.195 175.433 177.584 0.074 0.000 1.071 167 A CA -0.745 51.441 52.037 0.247 0.000 0.685 167 A CB 1.493 20.658 19.000 0.276 0.000 1.285 167 A HN 0.093 nan 8.150 nan 0.000 0.405 168 L N 1.167 122.531 121.223 0.236 0.000 2.381 168 L HA 0.839 5.178 4.340 -0.001 0.000 0.268 168 L C -1.426 175.528 176.870 0.141 0.000 0.997 168 L CA -0.605 54.323 54.840 0.147 0.000 0.818 168 L CB 2.100 44.362 42.059 0.339 0.000 1.310 168 L HN 0.493 nan 8.230 nan 0.000 0.416 169 V N 5.538 125.482 119.914 0.050 0.000 2.380 169 V HA 0.512 4.631 4.120 -0.001 0.000 0.286 169 V C -0.634 175.469 176.094 0.014 0.000 1.015 169 V CA -0.622 61.673 62.300 -0.008 0.000 0.834 169 V CB 1.676 33.402 31.823 -0.163 0.000 1.009 169 V HN 0.618 nan 8.190 nan 0.000 0.428 170 V N 5.951 125.916 119.914 0.085 0.000 2.513 170 V HA 0.596 4.716 4.120 -0.001 0.000 0.299 170 V C -0.282 175.916 176.094 0.173 0.000 1.035 170 V CA -0.330 62.084 62.300 0.190 0.000 0.889 170 V CB 1.822 33.788 31.823 0.239 0.000 0.988 170 V HN 0.960 nan 8.190 nan 0.000 0.440 171 N N 4.164 122.992 118.700 0.213 0.000 2.576 171 N HA 0.410 5.150 4.740 -0.001 0.000 0.269 171 N C -1.527 173.921 175.510 -0.104 0.000 1.058 171 N CA -0.169 52.957 53.050 0.127 0.000 0.860 171 N CB 1.369 40.016 38.487 0.266 0.000 1.249 171 N HN 0.632 nan 8.380 nan 0.000 0.525 172 S N 3.679 119.285 115.700 -0.157 0.000 2.614 172 S HA 0.510 4.979 4.470 -0.001 0.000 0.288 172 S C -2.880 171.699 174.600 -0.035 0.000 1.137 172 S CA -1.217 56.779 58.200 -0.340 0.000 0.992 172 S CB 1.463 64.338 63.200 -0.543 0.000 1.026 172 S HN 0.364 nan 8.310 nan 0.000 0.486 173 P HA 0.149 nan 4.420 nan 0.000 0.271 173 P C -0.517 176.605 177.300 -0.296 0.000 1.233 173 P CA -0.277 62.701 63.100 -0.203 0.000 0.764 173 P CB 0.256 31.845 31.700 -0.184 0.000 0.825 174 N N 3.663 122.182 118.700 -0.303 0.000 2.412 174 N HA -0.034 4.705 4.740 -0.001 0.000 0.254 174 N C -0.272 175.064 175.510 -0.290 0.000 1.232 174 N CA 0.671 53.578 53.050 -0.238 0.000 0.880 174 N CB -0.054 38.355 38.487 -0.131 0.000 1.076 174 N HN 0.333 nan 8.380 nan 0.000 0.458 175 N N 3.727 122.261 118.700 -0.277 0.000 2.346 175 N HA 0.383 5.122 4.740 -0.001 0.000 0.289 175 N C -2.435 172.962 175.510 -0.189 0.000 1.027 175 N CA -1.915 50.904 53.050 -0.385 0.000 0.864 175 N CB 2.162 40.317 38.487 -0.553 0.000 1.370 175 N HN 0.291 nan 8.380 nan 0.000 0.481 176 P HA 0.086 nan 4.420 nan 0.000 0.261 176 P C 0.737 177.815 177.300 -0.371 0.000 1.268 176 P CA 0.307 63.084 63.100 -0.538 0.000 0.833 176 P CB 0.475 31.633 31.700 -0.902 0.000 1.231 177 T N -1.383 112.969 114.554 -0.338 0.000 3.043 177 T HA 0.175 4.525 4.350 -0.001 0.000 0.263 177 T C 1.615 176.261 174.700 -0.089 0.000 1.094 177 T CA 1.579 63.484 62.100 -0.324 0.000 1.127 177 T CB -0.948 67.566 68.868 -0.590 0.000 0.905 177 T HN 0.212 nan 8.240 nan 0.000 0.490 178 G N 0.900 109.655 108.800 -0.075 0.000 2.212 178 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.266 178 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.266 178 G C 0.434 175.327 174.900 -0.011 0.000 0.978 178 G CA 0.286 45.369 45.100 -0.028 0.000 0.632 178 G HN 1.165 nan 8.290 nan 0.000 0.537 179 A N -0.845 121.991 122.820 0.026 0.000 2.448 179 A HA 0.615 4.934 4.320 -0.001 0.000 0.239 179 A C 0.419 177.980 177.584 -0.038 0.000 1.080 179 A CA 0.808 52.900 52.037 0.091 0.000 0.779 179 A CB 1.236 20.393 19.000 0.261 0.000 1.026 179 A HN 1.595 nan 8.150 nan 0.000 0.499 180 V N 3.093 123.018 119.914 0.019 0.000 2.447 180 V HA 0.428 4.547 4.120 -0.001 0.000 0.292 180 V C -1.047 175.112 176.094 0.107 0.000 1.021 180 V CA -0.621 61.646 62.300 -0.055 0.000 0.850 180 V CB 0.642 32.457 31.823 -0.013 0.000 1.005 180 V HN 0.778 nan 8.190 nan 0.000 0.426 181 Y N 6.817 127.165 120.300 0.079 0.000 2.411 181 Y HA 0.309 4.858 4.550 -0.001 0.000 0.333 181 Y C -1.718 174.217 175.900 0.057 0.000 1.186 181 Y CA -2.121 56.021 58.100 0.070 0.000 1.381 181 Y CB 0.399 38.906 38.460 0.078 0.000 1.273 181 Y HN 0.485 nan 8.280 nan 0.000 0.546 182 P HA -0.003 nan 4.420 nan 0.000 0.272 182 P C 0.520 177.837 177.300 0.030 0.000 1.230 182 P CA -0.356 62.792 63.100 0.081 0.000 0.788 182 P CB 0.858 32.582 31.700 0.041 0.000 0.949 183 K N 1.440 121.785 120.400 -0.092 0.000 2.020 183 K HA -0.240 4.079 4.320 -0.001 0.000 0.212 183 K C 1.093 177.444 176.600 -0.416 0.000 1.050 183 K CA 1.992 58.042 56.287 -0.395 0.000 0.929 183 K CB -0.221 31.959 32.500 -0.535 0.000 0.714 183 K HN 0.445 nan 8.250 nan 0.000 0.443 184 E N 0.035 120.089 120.200 -0.244 0.000 2.526 184 E HA -0.061 4.288 4.350 -0.001 0.000 0.198 184 E C 1.317 177.874 176.600 -0.072 0.000 1.091 184 E CA 0.351 56.653 56.400 -0.164 0.000 0.880 184 E CB 0.109 29.738 29.700 -0.119 0.000 0.873 184 E HN 0.114 nan 8.360 nan 0.000 0.527 185 V N -0.097 119.801 119.914 -0.027 0.000 2.908 185 V HA -0.024 4.095 4.120 -0.001 0.000 0.240 185 V C 1.646 177.779 176.094 0.065 0.000 1.117 185 V CA 0.267 62.571 62.300 0.007 0.000 1.133 185 V CB -0.085 31.738 31.823 0.000 0.000 0.857 185 V HN 0.245 nan 8.190 nan 0.000 0.478 186 L N 0.468 121.779 121.223 0.147 0.000 2.131 186 L HA -0.129 4.210 4.340 -0.001 0.000 0.210 186 L C 2.406 179.422 176.870 0.242 0.000 1.092 186 L CA 1.936 56.934 54.840 0.262 0.000 0.759 186 L CB -1.235 41.107 42.059 0.471 0.000 0.903 186 L HN 0.463 nan 8.230 nan 0.000 0.435 187 E N 0.147 120.429 120.200 0.137 0.000 2.017 187 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 187 E C 2.276 178.906 176.600 0.050 0.000 0.997 187 E CA 1.579 58.026 56.400 0.078 0.000 0.804 187 E CB -0.065 29.568 29.700 -0.112 0.000 0.757 187 E HN 0.349 nan 8.360 nan 0.000 0.448 188 A N 0.621 123.452 122.820 0.019 0.000 1.873 188 A HA -0.215 4.104 4.320 -0.001 0.000 0.218 188 A C 2.315 179.915 177.584 0.027 0.000 1.193 188 A CA 1.920 53.965 52.037 0.013 0.000 0.629 188 A CB -1.037 17.964 19.000 0.001 0.000 0.826 188 A HN 0.342 nan 8.150 nan 0.000 0.447 189 L N -0.841 120.409 121.223 0.045 0.000 2.046 189 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 189 L C 3.059 179.954 176.870 0.043 0.000 1.077 189 L CA 1.092 55.968 54.840 0.061 0.000 0.747 189 L CB -0.705 41.404 42.059 0.083 0.000 0.896 189 L HN 0.433 nan 8.230 nan 0.000 0.432 190 A N 0.042 122.888 122.820 0.043 0.000 1.978 190 A HA -0.247 4.073 4.320 -0.001 0.000 0.220 190 A C 2.461 179.987 177.584 -0.096 0.000 1.170 190 A CA 1.808 53.840 52.037 -0.008 0.000 0.636 190 A CB -0.576 18.450 19.000 0.044 0.000 0.810 190 A HN 0.350 nan 8.150 nan 0.000 0.448 191 R N -0.409 120.057 120.500 -0.057 0.000 2.090 191 R HA 0.051 4.390 4.340 -0.001 0.000 0.228 191 R C 1.818 178.061 176.300 -0.095 0.000 1.110 191 R CA 1.002 57.050 56.100 -0.087 0.000 0.973 191 R CB -0.270 30.009 30.300 -0.035 0.000 0.869 191 R HN 0.537 nan 8.270 nan 0.000 0.440 192 L N -0.100 121.104 121.223 -0.031 0.000 2.201 192 L HA -0.055 4.284 4.340 -0.001 0.000 0.212 192 L C 2.497 179.248 176.870 -0.198 0.000 1.105 192 L CA 1.099 55.976 54.840 0.062 0.000 0.775 192 L CB -0.670 41.459 42.059 0.116 0.000 0.913 192 L HN 0.289 nan 8.230 nan 0.000 0.440 193 A N 0.003 122.508 122.820 -0.526 0.000 1.930 193 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 193 A C 2.332 179.357 177.584 -0.931 0.000 1.175 193 A CA 1.430 52.703 52.037 -1.273 0.000 0.627 193 A CB -0.516 18.105 19.000 -0.631 0.000 0.815 193 A HN 0.200 nan 8.150 nan 0.000 0.443 194 V N -0.265 119.213 119.914 -0.727 0.000 2.488 194 V HA -0.175 3.945 4.120 -0.001 0.000 0.246 194 V C 2.444 178.329 176.094 -0.349 0.000 1.046 194 V CA 1.934 63.716 62.300 -0.863 0.000 1.053 194 V CB -0.519 30.913 31.823 -0.651 0.000 0.679 194 V HN 0.758 nan 8.190 nan 0.000 0.458 195 E N 0.212 120.297 120.200 -0.192 0.000 2.031 195 E HA -0.257 4.093 4.350 -0.001 0.000 0.193 195 E C 1.917 178.462 176.600 -0.091 0.000 0.994 195 E CA 1.834 58.180 56.400 -0.091 0.000 0.800 195 E CB -0.059 29.641 29.700 0.001 0.000 0.752 195 E HN 0.781 nan 8.360 nan 0.000 0.447 196 H N -0.184 118.873 119.070 -0.020 0.000 2.539 196 H HA 0.163 4.719 4.556 -0.001 0.000 0.269 196 H C -0.514 174.903 175.328 0.147 0.000 0.980 196 H CA 0.732 56.856 56.048 0.127 0.000 1.152 196 H CB 0.229 30.192 29.762 0.336 0.000 1.407 196 H HN 0.237 nan 8.280 nan 0.000 0.564 197 D N -0.052 120.408 120.400 0.101 0.000 3.729 197 D HA -0.179 4.460 4.640 -0.001 0.000 0.242 197 D C -1.043 175.358 176.300 0.168 0.000 1.091 197 D CA 0.761 54.827 54.000 0.111 0.000 1.096 197 D CB -1.255 39.598 40.800 0.089 0.000 0.901 197 D HN 0.402 nan 8.370 nan 0.000 0.416 198 F N 0.372 120.377 119.950 0.092 0.000 2.703 198 F HA 0.561 5.087 4.527 -0.001 0.000 0.308 198 F C -0.943 174.880 175.800 0.038 0.000 1.126 198 F CA -1.613 56.389 58.000 0.003 0.000 0.959 198 F CB 0.561 39.602 39.000 0.068 0.000 1.297 198 F HN -0.081 nan 8.300 nan 0.000 0.441 199 Y N 1.902 122.392 120.300 0.317 0.000 2.385 199 Y HA 0.428 4.978 4.550 -0.001 0.000 0.346 199 Y C 0.178 176.239 175.900 0.269 0.000 1.270 199 Y CA -0.421 57.800 58.100 0.201 0.000 1.472 199 Y CB 0.477 39.022 38.460 0.141 0.000 1.354 199 Y HN 0.673 nan 8.280 nan 0.000 0.611 200 L N 1.888 123.310 121.223 0.332 0.000 2.406 200 L HA 0.530 4.869 4.340 -0.001 0.000 0.272 200 L C -1.717 175.262 176.870 0.181 0.000 0.980 200 L CA -0.880 54.103 54.840 0.238 0.000 0.831 200 L CB 1.489 43.623 42.059 0.124 0.000 1.253 200 L HN 0.376 nan 8.230 nan 0.000 0.406 201 V N 3.579 123.585 119.914 0.153 0.000 2.334 201 V HA 0.288 4.407 4.120 -0.001 0.000 0.281 201 V C 0.227 176.355 176.094 0.056 0.000 1.016 201 V CA -0.281 62.063 62.300 0.073 0.000 0.832 201 V CB 1.500 33.355 31.823 0.053 0.000 0.999 201 V HN 0.787 nan 8.190 nan 0.000 0.439 202 S N 3.104 118.830 115.700 0.044 0.000 2.422 202 S HA 0.307 4.776 4.470 -0.001 0.000 0.308 202 S C -0.321 174.321 174.600 0.070 0.000 1.097 202 S CA -0.573 57.662 58.200 0.059 0.000 1.099 202 S CB 0.712 63.935 63.200 0.038 0.000 0.976 202 S HN 0.832 nan 8.310 nan 0.000 0.471 203 D N 4.014 124.477 120.400 0.104 0.000 2.564 203 D HA 0.225 4.865 4.640 -0.001 0.000 0.226 203 D C 1.057 177.430 176.300 0.122 0.000 1.149 203 D CA -0.099 53.983 54.000 0.137 0.000 0.994 203 D CB 0.393 41.349 40.800 0.261 0.000 1.029 203 D HN 0.658 nan 8.370 nan 0.000 0.517 204 E N 2.449 122.713 120.200 0.108 0.000 2.077 204 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 204 E C 1.879 178.463 176.600 -0.026 0.000 0.989 204 E CA 0.570 57.031 56.400 0.102 0.000 0.800 204 E CB 0.112 29.922 29.700 0.183 0.000 0.746 204 E HN 0.558 nan 8.360 nan 0.000 0.452 205 I N 0.037 120.564 120.570 -0.070 0.000 3.199 205 I HA -0.437 3.732 4.170 -0.001 0.000 0.207 205 I C 1.640 177.538 176.117 -0.365 0.000 0.772 205 I CA 1.904 63.067 61.300 -0.228 0.000 1.170 205 I CB -1.104 36.723 38.000 -0.290 0.000 0.932 205 I HN 0.277 nan 8.210 nan 0.000 0.343 206 Y N 1.493 121.625 120.300 -0.279 0.000 2.502 206 Y HA -0.057 4.493 4.550 -0.001 0.000 0.295 206 Y C 2.148 177.817 175.900 -0.385 0.000 1.193 206 Y CA 0.661 58.563 58.100 -0.331 0.000 1.295 206 Y CB -0.535 37.720 38.460 -0.342 0.000 1.059 206 Y HN 0.423 nan 8.280 nan 0.000 0.514 207 E N -0.608 119.336 120.200 -0.426 0.000 2.147 207 E HA -0.317 4.033 4.350 -0.001 0.000 0.199 207 E C 0.905 177.166 176.600 -0.564 0.000 1.005 207 E CA 2.267 58.185 56.400 -0.803 0.000 0.810 207 E CB -0.622 28.401 29.700 -1.128 0.000 0.736 207 E HN 0.627 nan 8.360 nan 0.000 0.460 208 H N 0.108 119.020 119.070 -0.263 0.000 2.548 208 H HA 0.209 4.765 4.556 -0.001 0.000 0.268 208 H C 0.193 175.460 175.328 -0.101 0.000 0.975 208 H CA 0.184 56.133 56.048 -0.165 0.000 1.195 208 H CB 0.213 29.878 29.762 -0.161 0.000 1.397 208 H HN 0.087 nan 8.280 nan 0.000 0.572 209 L N 1.871 123.077 121.223 -0.028 0.000 2.407 209 L HA 0.261 4.600 4.340 -0.001 0.000 0.261 209 L C -1.125 175.531 176.870 -0.357 0.000 1.108 209 L CA -0.570 54.263 54.840 -0.012 0.000 0.995 209 L CB 0.771 42.860 42.059 0.050 0.000 1.349 209 L HN 0.071 nan 8.230 nan 0.000 0.423 210 L N 1.976 123.018 121.223 -0.302 0.000 2.415 210 L HA 0.359 4.698 4.340 -0.001 0.000 0.268 210 L C -0.063 176.689 176.870 -0.197 0.000 0.984 210 L CA -0.132 54.501 54.840 -0.346 0.000 0.853 210 L CB 1.084 43.065 42.059 -0.130 0.000 1.215 210 L HN 0.284 nan 8.230 nan 0.000 0.419 211 Y N 2.155 122.503 120.300 0.080 0.000 2.231 211 Y HA 0.204 4.754 4.550 -0.001 0.000 0.294 211 Y C 0.524 176.457 175.900 0.057 0.000 1.120 211 Y CA 0.029 58.171 58.100 0.070 0.000 1.141 211 Y CB 0.441 38.945 38.460 0.073 0.000 1.022 211 Y HN 0.461 nan 8.280 nan 0.000 0.523 212 E N 0.718 121.007 120.200 0.150 0.000 2.621 212 E HA 0.567 4.916 4.350 -0.001 0.000 0.263 212 E C -0.335 176.308 176.600 0.072 0.000 1.033 212 E CA -0.243 56.221 56.400 0.107 0.000 0.778 212 E CB 1.242 31.010 29.700 0.114 0.000 1.426 212 E HN 0.366 nan 8.360 nan 0.000 0.394 213 G N 1.714 110.552 108.800 0.063 0.000 2.345 213 G HA2 0.220 4.179 3.960 -0.001 0.000 0.285 213 G HA3 0.220 4.179 3.960 -0.001 0.000 0.285 213 G C -1.775 173.166 174.900 0.067 0.000 1.297 213 G CA -0.571 44.566 45.100 0.061 0.000 0.875 213 G HN 0.400 nan 8.290 nan 0.000 0.506 214 E N -0.077 120.170 120.200 0.079 0.000 2.263 214 E HA 0.424 4.773 4.350 -0.001 0.000 0.268 214 E C -1.629 175.052 176.600 0.135 0.000 0.884 214 E CA -0.767 55.692 56.400 0.099 0.000 0.766 214 E CB 1.757 31.506 29.700 0.082 0.000 1.196 214 E HN 0.603 nan 8.360 nan 0.000 0.416 215 H N 4.673 123.774 119.070 0.051 0.000 2.864 215 H HA 0.289 4.844 4.556 -0.001 0.000 0.281 215 H C -1.523 173.875 175.328 0.115 0.000 1.093 215 H CA -0.155 55.922 56.048 0.047 0.000 1.453 215 H CB -0.014 29.728 29.762 -0.034 0.000 1.462 215 H HN 0.402 nan 8.280 nan 0.000 0.480 216 F N 3.960 123.663 119.950 -0.411 0.000 2.421 216 F HA 0.478 5.004 4.527 -0.001 0.000 0.337 216 F C -0.630 174.926 175.800 -0.407 0.000 1.105 216 F CA -0.570 57.255 58.000 -0.293 0.000 1.049 216 F CB 1.283 40.205 39.000 -0.131 0.000 1.139 216 F HN 0.433 nan 8.300 nan 0.000 0.479 217 S N 6.811 121.835 115.700 -1.128 0.000 2.475 217 S HA 0.360 4.829 4.470 -0.001 0.000 0.298 217 S C -2.190 171.719 174.600 -1.151 0.000 1.119 217 S CA -1.052 56.664 58.200 -0.808 0.000 1.085 217 S CB 1.782 64.736 63.200 -0.411 0.000 1.028 217 S HN 0.517 nan 8.310 nan 0.000 0.489 218 P HA 0.140 nan 4.420 nan 0.000 0.240 218 P C 1.336 178.526 177.300 -0.183 0.000 1.190 218 P CA 0.187 63.125 63.100 -0.270 0.000 0.781 218 P CB -0.005 31.674 31.700 -0.035 0.000 0.931 219 G N 0.225 108.901 108.800 -0.206 0.000 2.625 219 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.214 219 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.214 219 G C 1.640 176.471 174.900 -0.116 0.000 1.132 219 G CA 0.136 45.157 45.100 -0.131 0.000 0.782 219 G HN 0.240 nan 8.290 nan 0.000 0.538 220 R N -0.337 120.064 120.500 -0.165 0.000 2.080 220 R HA 0.067 4.406 4.340 -0.001 0.000 0.222 220 R C 2.284 178.578 176.300 -0.009 0.000 1.107 220 R CA 1.001 57.050 56.100 -0.085 0.000 0.980 220 R CB -0.162 30.071 30.300 -0.113 0.000 0.879 220 R HN 0.199 nan 8.270 nan 0.000 0.439 221 V N 0.520 120.444 119.914 0.018 0.000 2.407 221 V HA 0.042 4.161 4.120 -0.001 0.000 0.245 221 V C 0.987 177.083 176.094 0.004 0.000 1.041 221 V CA 1.547 63.883 62.300 0.060 0.000 1.040 221 V CB 0.173 32.087 31.823 0.152 0.000 0.671 221 V HN 0.451 nan 8.190 nan 0.000 0.455 222 A N 0.219 123.028 122.820 -0.018 0.000 3.159 222 A HA 0.508 4.828 4.320 -0.001 0.000 0.330 222 A C -1.389 176.208 177.584 0.022 0.000 1.032 222 A CA -0.805 51.214 52.037 -0.031 0.000 0.841 222 A CB 0.356 19.290 19.000 -0.110 0.000 1.093 222 A HN 0.291 nan 8.150 nan 0.000 0.478 223 P HA -0.212 nan 4.420 nan 0.000 0.222 223 P C 0.727 178.046 177.300 0.031 0.000 1.147 223 P CA 1.431 64.536 63.100 0.008 0.000 0.790 223 P CB 0.183 31.879 31.700 -0.007 0.000 0.780 224 E N -1.651 118.597 120.200 0.081 0.000 2.463 224 E HA -0.023 4.327 4.350 -0.001 0.000 0.193 224 E C 0.715 177.271 176.600 -0.074 0.000 1.041 224 E CA -0.006 56.408 56.400 0.024 0.000 0.879 224 E CB -0.270 29.430 29.700 -0.000 0.000 0.997 224 E HN 0.309 nan 8.360 nan 0.000 0.478 225 H N -0.497 118.541 119.070 -0.053 0.000 2.824 225 H HA 0.208 4.763 4.556 -0.001 0.000 0.238 225 H C 0.042 175.404 175.328 0.056 0.000 0.931 225 H CA 0.458 56.463 56.048 -0.072 0.000 1.090 225 H CB 0.796 30.462 29.762 -0.160 0.000 1.433 225 H HN -0.054 nan 8.280 nan 0.000 0.437 226 T N 1.992 116.633 114.554 0.145 0.000 2.901 226 T HA 0.304 4.653 4.350 -0.001 0.000 0.301 226 T C -0.288 174.439 174.700 0.045 0.000 1.012 226 T CA 0.030 62.179 62.100 0.082 0.000 1.135 226 T CB 0.198 69.072 68.868 0.011 0.000 0.936 226 T HN 0.094 nan 8.240 nan 0.000 0.539 227 L N 4.107 125.348 121.223 0.031 0.000 2.345 227 L HA 0.353 4.693 4.340 -0.001 0.000 0.274 227 L C -0.087 176.751 176.870 -0.052 0.000 0.999 227 L CA -0.591 54.230 54.840 -0.032 0.000 0.849 227 L CB 1.440 43.470 42.059 -0.049 0.000 1.220 227 L HN 0.657 nan 8.230 nan 0.000 0.422 228 T N 2.561 117.049 114.554 -0.109 0.000 2.762 228 T HA 0.380 4.729 4.350 -0.001 0.000 0.303 228 T C -0.039 174.643 174.700 -0.030 0.000 0.977 228 T CA -0.464 61.580 62.100 -0.094 0.000 0.961 228 T CB 1.142 69.894 68.868 -0.193 0.000 0.944 228 T HN 0.121 nan 8.240 nan 0.000 0.481 229 V N 5.009 124.947 119.914 0.040 0.000 2.394 229 V HA 0.499 4.618 4.120 -0.001 0.000 0.282 229 V C 0.293 176.455 176.094 0.112 0.000 1.031 229 V CA -0.720 61.627 62.300 0.079 0.000 0.881 229 V CB 1.153 32.998 31.823 0.035 0.000 0.982 229 V HN 0.822 nan 8.190 nan 0.000 0.451 230 N N 2.057 120.839 118.700 0.137 0.000 3.102 230 N HA 0.797 5.536 4.740 -0.001 0.000 0.299 230 N C -0.599 174.688 175.510 -0.371 0.000 1.482 230 N CA 0.085 53.148 53.050 0.022 0.000 0.785 230 N CB 2.809 41.462 38.487 0.277 0.000 1.680 230 N HN 0.830 nan 8.380 nan 0.000 0.594 231 G N -1.537 106.917 108.800 -0.577 0.000 2.601 231 G HA2 0.524 4.483 3.960 -0.001 0.000 0.291 231 G HA3 0.524 4.483 3.960 -0.001 0.000 0.291 231 G C -0.089 174.482 174.900 -0.548 0.000 1.456 231 G CA 0.203 44.758 45.100 -0.907 0.000 0.804 231 G HN 0.589 nan 8.290 nan 0.000 0.499 232 A N 0.112 122.710 122.820 -0.371 0.000 1.929 232 A HA 0.403 4.722 4.320 -0.001 0.000 0.216 232 A C 2.789 180.316 177.584 -0.096 0.000 1.176 232 A CA 2.349 54.358 52.037 -0.046 0.000 0.628 232 A CB -0.976 18.129 19.000 0.176 0.000 0.816 232 A HN 2.120 nan 8.150 nan 0.000 0.444 233 A N 0.842 123.606 122.820 -0.094 0.000 1.901 233 A HA -0.343 3.976 4.320 -0.001 0.000 0.227 233 A C 2.088 179.647 177.584 -0.041 0.000 1.551 233 A CA 2.488 54.501 52.037 -0.040 0.000 0.769 233 A CB -0.760 18.201 19.000 -0.065 0.000 0.845 233 A HN 0.473 nan 8.150 nan 0.000 0.481 234 K N -0.610 119.679 120.400 -0.186 0.000 2.097 234 K HA -0.040 4.280 4.320 -0.001 0.000 0.206 234 K C 2.349 178.892 176.600 -0.094 0.000 1.049 234 K CA 1.299 57.468 56.287 -0.197 0.000 0.933 234 K CB -0.636 31.499 32.500 -0.609 0.000 0.717 234 K HN 0.540 nan 8.250 nan 0.000 0.442 235 A N 1.313 123.997 122.820 -0.228 0.000 1.841 235 A HA -0.044 4.276 4.320 -0.001 0.000 0.214 235 A C 1.738 179.334 177.584 0.020 0.000 1.195 235 A CA 0.983 52.871 52.037 -0.249 0.000 0.611 235 A CB -0.766 17.857 19.000 -0.628 0.000 0.835 235 A HN 0.281 nan 8.150 nan 0.000 0.443 236 F N -0.481 119.586 119.950 0.195 0.000 2.693 236 F HA 0.407 4.933 4.527 -0.001 0.000 0.303 236 F C 1.516 177.483 175.800 0.279 0.000 1.143 236 F CA 0.241 58.410 58.000 0.282 0.000 1.389 236 F CB -0.091 38.909 39.000 0.001 0.000 1.060 236 F HN 0.371 nan 8.300 nan 0.000 0.535 237 A N 0.333 123.460 122.820 0.512 0.000 2.826 237 A HA -0.306 4.013 4.320 -0.001 0.000 0.274 237 A C 0.968 178.720 177.584 0.279 0.000 1.443 237 A CA 1.126 53.414 52.037 0.418 0.000 0.833 237 A CB -2.235 17.099 19.000 0.556 0.000 1.023 237 A HN 0.572 nan 8.150 nan 0.000 0.600 238 M N 0.403 120.130 119.600 0.212 0.000 2.723 238 M HA 0.031 4.511 4.480 -0.001 0.000 0.270 238 M C 1.868 178.348 176.300 0.300 0.000 1.282 238 M CA 0.694 56.124 55.300 0.216 0.000 0.995 238 M CB -0.198 32.339 32.600 -0.105 0.000 1.430 238 M HN 0.726 nan 8.290 nan 0.000 0.477 239 T N -2.362 112.332 114.554 0.234 0.000 2.635 239 T HA -0.171 4.178 4.350 -0.001 0.000 0.267 239 T C 1.905 176.716 174.700 0.186 0.000 1.040 239 T CA 1.866 64.066 62.100 0.168 0.000 1.156 239 T CB -1.025 67.921 68.868 0.130 0.000 0.863 239 T HN 0.565 nan 8.240 nan 0.000 0.430 240 G N -0.306 108.609 108.800 0.191 0.000 2.498 240 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.219 240 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.219 240 G C 1.121 176.061 174.900 0.068 0.000 1.119 240 G CA 0.384 45.534 45.100 0.084 0.000 0.766 240 G HN 0.658 nan 8.290 nan 0.000 0.552 241 W N -0.231 121.085 121.300 0.028 0.000 2.425 241 W HA 0.179 4.838 4.660 -0.001 0.000 0.277 241 W C 0.798 177.332 176.519 0.026 0.000 1.231 241 W CA 0.322 57.684 57.345 0.029 0.000 1.248 241 W CB 0.291 29.773 29.460 0.038 0.000 1.117 241 W HN -0.016 nan 8.180 nan 0.000 0.568 242 R N -0.225 120.411 120.500 0.226 0.000 3.201 242 R HA -0.165 4.174 4.340 -0.001 0.000 0.254 242 R C -1.010 175.363 176.300 0.121 0.000 0.978 242 R CA 0.545 56.724 56.100 0.130 0.000 0.661 242 R CB -2.980 27.372 30.300 0.086 0.000 1.170 242 R HN 0.277 nan 8.270 nan 0.000 0.430 243 I N -0.481 120.149 120.570 0.100 0.000 2.571 243 I HA 0.593 4.762 4.170 -0.001 0.000 0.289 243 I C 0.740 176.809 176.117 -0.081 0.000 1.115 243 I CA -0.527 60.810 61.300 0.061 0.000 1.045 243 I CB 2.490 40.566 38.000 0.127 0.000 1.238 243 I HN 0.345 nan 8.210 nan 0.000 0.424 244 G N 4.993 113.719 108.800 -0.124 0.000 2.680 244 G HA2 0.819 4.778 3.960 -0.001 0.000 0.290 244 G HA3 0.819 4.778 3.960 -0.001 0.000 0.290 244 G C -1.981 172.780 174.900 -0.231 0.000 1.355 244 G CA -0.408 44.470 45.100 -0.369 0.000 0.903 244 G HN 0.517 nan 8.290 nan 0.000 0.474 245 Y N -2.631 117.710 120.300 0.067 0.000 2.638 245 Y HA 0.875 5.425 4.550 -0.001 0.000 0.335 245 Y C -0.105 175.905 175.900 0.183 0.000 1.155 245 Y CA -1.526 56.642 58.100 0.113 0.000 1.046 245 Y CB 1.190 39.717 38.460 0.112 0.000 1.303 245 Y HN 1.138 nan 8.280 nan 0.000 0.460 246 A N 0.118 123.172 122.820 0.390 0.000 2.588 246 A HA 0.923 5.242 4.320 -0.001 0.000 0.290 246 A C -1.193 176.414 177.584 0.039 0.000 1.136 246 A CA -0.318 51.843 52.037 0.207 0.000 0.681 246 A CB 1.021 20.059 19.000 0.063 0.000 1.282 246 A HN 1.886 nan 8.150 nan 0.000 0.421 247 C N -1.509 117.660 119.300 -0.217 0.000 3.239 247 C HA 1.065 5.525 4.460 -0.001 0.000 0.317 247 C C 0.310 175.164 174.990 -0.227 0.000 1.310 247 C CA 0.251 59.096 59.018 -0.288 0.000 1.371 247 C CB 1.082 28.449 27.740 -0.622 0.000 1.714 247 C HN 2.827 nan 8.230 nan 0.000 0.473 248 G N 0.729 109.441 108.800 -0.147 0.000 2.398 248 G HA2 0.508 4.468 3.960 -0.001 0.000 0.251 248 G HA3 0.508 4.468 3.960 -0.001 0.000 0.251 248 G C -3.524 171.349 174.900 -0.044 0.000 1.277 248 G CA -0.634 44.413 45.100 -0.089 0.000 0.927 248 G HN 0.599 nan 8.290 nan 0.000 0.477 249 P HA 0.140 nan 4.420 nan 0.000 0.258 249 P C 0.818 178.117 177.300 -0.002 0.000 1.187 249 P CA 0.319 63.425 63.100 0.009 0.000 0.767 249 P CB 0.849 32.586 31.700 0.062 0.000 0.770 250 K N 4.194 124.590 120.400 -0.007 0.000 2.107 250 K HA -0.273 4.047 4.320 -0.001 0.000 0.211 250 K C 1.702 178.299 176.600 -0.004 0.000 1.049 250 K CA 1.822 58.105 56.287 -0.008 0.000 0.927 250 K CB 0.065 32.562 32.500 -0.006 0.000 0.714 250 K HN 0.539 nan 8.250 nan 0.000 0.452 251 E N 0.356 120.558 120.200 0.003 0.000 2.072 251 E HA -0.153 4.196 4.350 -0.001 0.000 0.191 251 E C 2.093 178.692 176.600 -0.001 0.000 0.985 251 E CA 1.287 57.691 56.400 0.006 0.000 0.801 251 E CB -0.779 28.930 29.700 0.016 0.000 0.750 251 E HN 0.258 nan 8.360 nan 0.000 0.452 252 V N 1.637 121.549 119.914 -0.003 0.000 2.548 252 V HA -0.047 4.073 4.120 -0.001 0.000 0.249 252 V C 1.865 177.925 176.094 -0.057 0.000 1.055 252 V CA 0.751 63.022 62.300 -0.047 0.000 1.065 252 V CB -0.344 31.418 31.823 -0.102 0.000 0.681 252 V HN 0.202 nan 8.190 nan 0.000 0.462 253 I N 0.780 121.326 120.570 -0.039 0.000 3.702 253 I HA 0.153 4.322 4.170 -0.001 0.000 0.305 253 I C 1.493 177.599 176.117 -0.018 0.000 1.346 253 I CA 0.678 61.959 61.300 -0.032 0.000 1.258 253 I CB -0.528 37.456 38.000 -0.026 0.000 1.121 253 I HN 0.319 nan 8.210 nan 0.000 0.437 254 K N 0.469 120.858 120.400 -0.019 0.000 2.591 254 K HA 0.235 4.555 4.320 -0.001 0.000 0.207 254 K C 1.612 178.204 176.600 -0.013 0.000 1.711 254 K CA 0.594 56.875 56.287 -0.010 0.000 1.059 254 K CB 0.273 32.769 32.500 -0.007 0.000 1.449 254 K HN 0.170 nan 8.250 nan 0.000 0.605 255 A N 1.647 124.454 122.820 -0.022 0.000 1.855 255 A HA 0.015 4.335 4.320 -0.001 0.000 0.213 255 A C 2.055 179.623 177.584 -0.026 0.000 1.195 255 A CA 1.026 53.049 52.037 -0.024 0.000 0.610 255 A CB -0.414 18.563 19.000 -0.037 0.000 0.837 255 A HN 0.255 nan 8.150 nan 0.000 0.444 256 M N -0.204 119.374 119.600 -0.037 0.000 2.088 256 M HA -0.265 4.214 4.480 -0.001 0.000 0.256 256 M C 2.506 178.804 176.300 -0.004 0.000 1.071 256 M CA 1.852 57.134 55.300 -0.030 0.000 1.097 256 M CB -0.491 32.086 32.600 -0.038 0.000 1.315 256 M HN 0.498 nan 8.290 nan 0.000 0.406 257 A N -1.240 121.579 122.820 -0.001 0.000 1.978 257 A HA -0.168 4.151 4.320 -0.001 0.000 0.220 257 A C 2.224 179.813 177.584 0.009 0.000 1.170 257 A CA 2.196 54.238 52.037 0.009 0.000 0.636 257 A CB -0.759 18.245 19.000 0.006 0.000 0.810 257 A HN 0.485 nan 8.150 nan 0.000 0.448 258 S N -1.190 114.512 115.700 0.004 0.000 2.489 258 S HA -0.003 4.466 4.470 -0.001 0.000 0.228 258 S C 1.721 176.329 174.600 0.013 0.000 0.995 258 S CA 1.025 59.228 58.200 0.005 0.000 0.934 258 S CB -0.286 62.914 63.200 0.000 0.000 0.771 258 S HN 0.292 nan 8.310 nan 0.000 0.522 259 V N 0.467 120.392 119.914 0.017 0.000 2.346 259 V HA -0.043 4.076 4.120 -0.001 0.000 0.244 259 V C 2.544 178.672 176.094 0.055 0.000 1.037 259 V CA 1.774 64.095 62.300 0.035 0.000 1.029 259 V CB -0.845 30.995 31.823 0.029 0.000 0.663 259 V HN 0.522 nan 8.190 nan 0.000 0.454 260 S N -0.329 115.401 115.700 0.051 0.000 2.374 260 S HA -0.282 4.188 4.470 -0.001 0.000 0.227 260 S C 2.185 176.811 174.600 0.043 0.000 1.037 260 S CA 1.864 60.098 58.200 0.057 0.000 1.024 260 S CB -0.338 62.890 63.200 0.047 0.000 0.861 260 S HN 0.482 nan 8.310 nan 0.000 0.456 261 R N -0.031 120.484 120.500 0.025 0.000 2.193 261 R HA 0.029 4.368 4.340 -0.001 0.000 0.229 261 R C 2.022 178.326 176.300 0.007 0.000 1.110 261 R CA 1.219 57.322 56.100 0.007 0.000 0.988 261 R CB 0.003 30.299 30.300 -0.005 0.000 0.871 261 R HN 0.545 nan 8.270 nan 0.000 0.458 262 Q N -1.554 118.261 119.800 0.025 0.000 2.317 262 Q HA 0.055 4.395 4.340 -0.001 0.000 0.220 262 Q C 1.512 177.542 176.000 0.051 0.000 0.873 262 Q CA 0.607 56.428 55.803 0.030 0.000 0.936 262 Q CB 1.367 30.124 28.738 0.031 0.000 1.105 262 Q HN 0.292 nan 8.270 nan 0.000 0.520 263 S N 0.579 116.319 115.700 0.066 0.000 2.431 263 S HA -0.047 4.423 4.470 -0.001 0.000 0.210 263 S C 2.055 176.692 174.600 0.063 0.000 1.013 263 S CA 1.072 59.321 58.200 0.083 0.000 0.920 263 S CB -0.593 62.684 63.200 0.129 0.000 0.882 263 S HN 0.279 nan 8.310 nan 0.000 0.567 264 T N -2.893 111.698 114.554 0.062 0.000 3.022 264 T HA 0.300 4.650 4.350 -0.001 0.000 0.250 264 T C 1.028 175.769 174.700 0.067 0.000 1.060 264 T CA 0.907 63.043 62.100 0.060 0.000 1.013 264 T CB -0.205 68.699 68.868 0.059 0.000 0.982 264 T HN 0.411 nan 8.240 nan 0.000 0.508 265 T N 0.243 114.826 114.554 0.048 0.000 11.087 265 T HA -0.218 4.131 4.350 -0.001 0.000 0.385 265 T C 0.131 174.855 174.700 0.039 0.000 1.679 265 T CA 1.824 63.938 62.100 0.024 0.000 2.690 265 T CB -1.803 67.081 68.868 0.026 0.000 2.619 265 T HN 1.187 nan 8.240 nan 0.000 0.900 266 S N 0.178 115.922 115.700 0.074 0.000 2.884 266 S HA 0.392 4.862 4.470 -0.001 0.000 0.274 266 S C -3.222 171.434 174.600 0.094 0.000 0.782 266 S CA -0.673 57.575 58.200 0.079 0.000 0.854 266 S CB 0.544 63.795 63.200 0.086 0.000 1.076 266 S HN 0.118 nan 8.310 nan 0.000 0.525 267 P HA 0.139 nan 4.420 nan 0.000 0.269 267 P C -0.794 176.564 177.300 0.097 0.000 1.211 267 P CA 0.096 63.247 63.100 0.085 0.000 0.781 267 P CB 0.179 31.927 31.700 0.080 0.000 0.877 268 D N 0.674 121.134 120.400 0.099 0.000 2.426 268 D HA -0.048 4.592 4.640 -0.001 0.000 0.261 268 D C 0.699 177.077 176.300 0.131 0.000 1.245 268 D CA 0.510 54.572 54.000 0.103 0.000 0.917 268 D CB 0.115 40.969 40.800 0.090 0.000 1.123 268 D HN 0.223 nan 8.370 nan 0.000 0.508 269 T N 4.706 119.343 114.554 0.138 0.000 2.620 269 T HA -0.223 4.127 4.350 -0.001 0.000 0.267 269 T C 1.849 176.729 174.700 0.299 0.000 1.044 269 T CA 1.078 63.293 62.100 0.191 0.000 1.161 269 T CB -0.151 68.849 68.868 0.220 0.000 0.862 269 T HN 0.501 nan 8.240 nan 0.000 0.438 270 I N 1.888 122.618 120.570 0.266 0.000 2.151 270 I HA -0.198 3.971 4.170 -0.001 0.000 0.243 270 I C 2.947 179.280 176.117 0.359 0.000 1.080 270 I CA 1.529 63.007 61.300 0.297 0.000 1.339 270 I CB -1.765 36.346 38.000 0.186 0.000 1.039 270 I HN 0.244 nan 8.210 nan 0.000 0.409 271 A N 0.277 123.301 122.820 0.340 0.000 2.019 271 A HA -0.191 4.128 4.320 -0.001 0.000 0.219 271 A C 2.236 179.955 177.584 0.225 0.000 1.164 271 A CA 1.074 53.359 52.037 0.413 0.000 0.644 271 A CB -0.411 18.854 19.000 0.441 0.000 0.805 271 A HN 0.557 nan 8.150 nan 0.000 0.449 272 Q N -1.189 118.702 119.800 0.152 0.000 1.990 272 Q HA -0.228 4.112 4.340 -0.001 0.000 0.200 272 Q C 2.046 178.042 176.000 -0.007 0.000 0.980 272 Q CA 1.681 57.486 55.803 0.003 0.000 0.832 272 Q CB -0.434 28.216 28.738 -0.146 0.000 0.897 272 Q HN 0.888 nan 8.270 nan 0.000 0.427 273 W N 1.145 122.471 121.300 0.044 0.000 2.325 273 W HA -0.201 4.458 4.660 -0.001 0.000 0.299 273 W C 2.599 179.104 176.519 -0.024 0.000 1.215 273 W CA 1.086 58.439 57.345 0.014 0.000 1.244 273 W CB -0.316 29.160 29.460 0.027 0.000 1.140 273 W HN 0.242 nan 8.180 nan 0.000 0.523 274 A N -0.359 122.586 122.820 0.208 0.000 1.933 274 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 274 A C 1.862 179.349 177.584 -0.162 0.000 1.175 274 A CA 2.228 54.257 52.037 -0.014 0.000 0.628 274 A CB -1.189 17.756 19.000 -0.091 0.000 0.814 274 A HN 0.239 nan 8.150 nan 0.000 0.444 275 T N 0.192 114.683 114.554 -0.105 0.000 2.777 275 T HA -0.068 4.281 4.350 -0.001 0.000 0.266 275 T C 1.832 176.478 174.700 -0.090 0.000 1.040 275 T CA 1.095 63.133 62.100 -0.104 0.000 1.141 275 T CB -0.398 68.482 68.868 0.021 0.000 0.868 275 T HN 0.363 nan 8.240 nan 0.000 0.444 276 L N 0.959 122.150 121.223 -0.053 0.000 2.089 276 L HA -0.253 4.087 4.340 -0.001 0.000 0.213 276 L C 2.685 179.529 176.870 -0.043 0.000 1.079 276 L CA 1.902 56.712 54.840 -0.049 0.000 0.758 276 L CB -0.244 41.815 42.059 -0.000 0.000 0.891 276 L HN 0.279 nan 8.230 nan 0.000 0.433 277 E N -0.104 120.070 120.200 -0.043 0.000 2.072 277 E HA -0.177 4.172 4.350 -0.001 0.000 0.190 277 E C 1.975 178.504 176.600 -0.118 0.000 0.982 277 E CA 1.451 57.821 56.400 -0.050 0.000 0.803 277 E CB -0.159 29.518 29.700 -0.039 0.000 0.755 277 E HN 0.479 nan 8.360 nan 0.000 0.453 278 A N 0.550 123.197 122.820 -0.288 0.000 1.972 278 A HA -0.104 4.216 4.320 -0.001 0.000 0.219 278 A C 2.273 179.643 177.584 -0.357 0.000 1.169 278 A CA 1.337 53.043 52.037 -0.552 0.000 0.635 278 A CB -0.594 17.787 19.000 -1.031 0.000 0.810 278 A HN 0.357 nan 8.150 nan 0.000 0.446 279 L N -0.513 120.608 121.223 -0.170 0.000 2.095 279 L HA -0.103 4.237 4.340 -0.001 0.000 0.204 279 L C 2.943 179.776 176.870 -0.061 0.000 1.080 279 L CA 1.789 56.587 54.840 -0.070 0.000 0.759 279 L CB -0.726 41.277 42.059 -0.093 0.000 0.914 279 L HN 0.635 nan 8.230 nan 0.000 0.439 280 T N -3.972 110.546 114.554 -0.059 0.000 3.014 280 T HA -0.075 4.274 4.350 -0.001 0.000 0.263 280 T C 1.196 175.873 174.700 -0.038 0.000 1.078 280 T CA 0.206 62.283 62.100 -0.038 0.000 1.135 280 T CB -0.287 68.569 68.868 -0.021 0.000 0.895 280 T HN 0.059 nan 8.240 nan 0.000 0.480 281 N N 1.633 120.306 118.700 -0.046 0.000 3.034 281 N HA 0.160 4.899 4.740 -0.001 0.000 0.265 281 N C 0.821 176.281 175.510 -0.084 0.000 1.166 281 N CA -0.063 52.947 53.050 -0.067 0.000 1.081 281 N CB 0.712 39.158 38.487 -0.069 0.000 1.378 281 N HN 0.385 nan 8.380 nan 0.000 0.520 282 Q N 1.128 120.893 119.800 -0.059 0.000 1.935 282 Q HA -0.189 4.151 4.340 -0.001 0.000 0.212 282 Q C 1.275 177.238 176.000 -0.062 0.000 1.008 282 Q CA 1.893 57.670 55.803 -0.043 0.000 0.868 282 Q CB 0.036 28.758 28.738 -0.026 0.000 0.946 282 Q HN 0.476 nan 8.270 nan 0.000 0.418 283 E N -0.334 119.823 120.200 -0.072 0.000 2.197 283 E HA -0.304 4.045 4.350 -0.001 0.000 0.205 283 E C 1.718 178.246 176.600 -0.121 0.000 1.029 283 E CA 1.477 57.827 56.400 -0.083 0.000 0.828 283 E CB -0.357 29.295 29.700 -0.081 0.000 0.737 283 E HN 0.454 nan 8.360 nan 0.000 0.464 284 A N 0.587 123.278 122.820 -0.216 0.000 1.861 284 A HA -0.045 4.274 4.320 -0.001 0.000 0.212 284 A C 2.495 179.970 177.584 -0.181 0.000 1.199 284 A CA 1.369 53.190 52.037 -0.360 0.000 0.613 284 A CB -0.416 18.032 19.000 -0.921 0.000 0.846 284 A HN 0.194 nan 8.150 nan 0.000 0.446 285 S N -0.359 115.284 115.700 -0.094 0.000 2.382 285 S HA -0.158 4.311 4.470 -0.001 0.000 0.228 285 S C 2.072 176.731 174.600 0.098 0.000 1.027 285 S CA 1.172 59.410 58.200 0.063 0.000 0.991 285 S CB -0.400 62.771 63.200 -0.048 0.000 0.823 285 S HN 0.599 nan 8.310 nan 0.000 0.469 286 R N 1.443 121.956 120.500 0.022 0.000 2.159 286 R HA -0.100 4.239 4.340 -0.001 0.000 0.237 286 R C 2.045 178.348 176.300 0.005 0.000 1.131 286 R CA 1.415 57.519 56.100 0.007 0.000 0.982 286 R CB -0.383 29.911 30.300 -0.010 0.000 0.868 286 R HN 0.420 nan 8.270 nan 0.000 0.453 287 A N 0.201 123.030 122.820 0.016 0.000 1.935 287 A HA -0.063 4.256 4.320 -0.001 0.000 0.214 287 A C 1.808 179.416 177.584 0.039 0.000 1.178 287 A CA 0.443 52.487 52.037 0.011 0.000 0.640 287 A CB -0.578 18.420 19.000 -0.003 0.000 0.825 287 A HN 0.431 nan 8.150 nan 0.000 0.447 288 F N 1.314 121.229 119.950 -0.058 0.000 2.075 288 F HA -0.167 4.360 4.527 -0.001 0.000 0.297 288 F C 2.209 177.945 175.800 -0.107 0.000 1.113 288 F CA 1.947 59.898 58.000 -0.081 0.000 1.218 288 F CB -0.692 38.303 39.000 -0.007 0.000 0.984 288 F HN 0.025 nan 8.300 nan 0.000 0.472 289 V N 0.723 120.557 119.914 -0.134 0.000 2.231 289 V HA -0.317 3.802 4.120 -0.001 0.000 0.248 289 V C 2.521 178.471 176.094 -0.240 0.000 1.054 289 V CA 2.274 64.425 62.300 -0.248 0.000 1.015 289 V CB -0.858 30.887 31.823 -0.130 0.000 0.638 289 V HN 0.257 nan 8.190 nan 0.000 0.444 290 E N -0.513 119.606 120.200 -0.136 0.000 2.147 290 E HA -0.280 4.069 4.350 -0.001 0.000 0.199 290 E C 2.012 178.516 176.600 -0.161 0.000 1.005 290 E CA 1.829 58.166 56.400 -0.104 0.000 0.810 290 E CB -0.426 29.240 29.700 -0.057 0.000 0.736 290 E HN 0.623 nan 8.360 nan 0.000 0.460 291 M N -0.353 119.100 119.600 -0.246 0.000 2.160 291 M HA -0.064 4.416 4.480 -0.001 0.000 0.264 291 M C 2.137 178.147 176.300 -0.483 0.000 1.073 291 M CA 1.544 56.662 55.300 -0.303 0.000 1.142 291 M CB -0.090 32.332 32.600 -0.296 0.000 1.358 291 M HN 0.062 nan 8.290 nan 0.000 0.422 292 A N 1.057 123.414 122.820 -0.772 0.000 1.883 292 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 292 A C 2.270 179.413 177.584 -0.735 0.000 1.186 292 A CA 2.034 53.464 52.037 -1.012 0.000 0.624 292 A CB -0.927 17.431 19.000 -1.071 0.000 0.822 292 A HN 0.633 nan 8.150 nan 0.000 0.444 293 R N -0.406 119.920 120.500 -0.290 0.000 2.088 293 R HA -0.173 4.166 4.340 -0.001 0.000 0.232 293 R C 1.992 178.306 176.300 0.024 0.000 1.136 293 R CA 1.824 57.963 56.100 0.064 0.000 0.926 293 R CB -0.384 30.019 30.300 0.171 0.000 0.837 293 R HN 0.507 nan 8.270 nan 0.000 0.429 294 E N 0.359 120.532 120.200 -0.045 0.000 2.160 294 E HA -0.202 4.148 4.350 -0.001 0.000 0.195 294 E C 1.808 178.355 176.600 -0.089 0.000 0.991 294 E CA 1.160 57.528 56.400 -0.054 0.000 0.810 294 E CB -0.259 29.411 29.700 -0.050 0.000 0.742 294 E HN 0.484 nan 8.360 nan 0.000 0.466 295 A N 1.061 123.799 122.820 -0.136 0.000 1.824 295 A HA -0.202 4.118 4.320 -0.001 0.000 0.215 295 A C 2.088 179.663 177.584 -0.015 0.000 1.209 295 A CA 1.571 53.565 52.037 -0.071 0.000 0.614 295 A CB -1.395 17.596 19.000 -0.015 0.000 0.852 295 A HN 0.320 nan 8.150 nan 0.000 0.447 296 Y N -0.501 119.881 120.300 0.136 0.000 2.181 296 Y HA -0.302 4.248 4.550 -0.001 0.000 0.284 296 Y C 2.622 178.407 175.900 -0.192 0.000 1.179 296 Y CA 1.530 59.706 58.100 0.127 0.000 1.179 296 Y CB -0.317 38.364 38.460 0.367 0.000 0.973 296 Y HN 0.275 nan 8.280 nan 0.000 0.519 297 R N 1.079 121.420 120.500 -0.265 0.000 2.105 297 R HA -0.173 4.166 4.340 -0.001 0.000 0.239 297 R C 2.068 178.180 176.300 -0.315 0.000 1.135 297 R CA 1.447 57.222 56.100 -0.541 0.000 0.967 297 R CB -0.090 29.967 30.300 -0.405 0.000 0.861 297 R HN 0.380 nan 8.270 nan 0.000 0.442 298 R N -0.313 120.082 120.500 -0.174 0.000 2.119 298 R HA -0.019 4.320 4.340 -0.001 0.000 0.222 298 R C 2.264 178.486 176.300 -0.131 0.000 1.088 298 R CA 0.794 56.820 56.100 -0.124 0.000 0.984 298 R CB -0.173 30.086 30.300 -0.069 0.000 0.884 298 R HN 0.277 nan 8.270 nan 0.000 0.447 299 R N 0.361 120.789 120.500 -0.120 0.000 2.090 299 R HA 0.025 4.364 4.340 -0.001 0.000 0.228 299 R C 2.358 178.480 176.300 -0.296 0.000 1.110 299 R CA 0.454 56.493 56.100 -0.102 0.000 0.973 299 R CB -0.238 30.092 30.300 0.050 0.000 0.869 299 R HN -0.002 nan 8.270 nan 0.000 0.440 300 R N 1.455 121.617 120.500 -0.563 0.000 2.096 300 R HA -0.132 4.207 4.340 -0.001 0.000 0.235 300 R C 0.876 176.935 176.300 -0.402 0.000 1.127 300 R CA 1.669 57.245 56.100 -0.874 0.000 0.968 300 R CB -0.283 29.493 30.300 -0.874 0.000 0.861 300 R HN 0.197 nan 8.270 nan 0.000 0.440 301 D N 0.269 120.509 120.400 -0.266 0.000 2.249 301 D HA -0.104 4.535 4.640 -0.001 0.000 0.205 301 D C 1.802 178.038 176.300 -0.108 0.000 0.962 301 D CA 0.170 54.079 54.000 -0.150 0.000 0.860 301 D CB 0.063 40.795 40.800 -0.113 0.000 0.955 301 D HN 0.101 nan 8.370 nan 0.000 0.505 302 L N 1.056 122.211 121.223 -0.114 0.000 1.988 302 L HA -0.064 4.275 4.340 -0.001 0.000 0.207 302 L C 2.272 179.112 176.870 -0.051 0.000 1.071 302 L CA 1.120 55.918 54.840 -0.070 0.000 0.744 302 L CB -1.064 40.957 42.059 -0.063 0.000 0.893 302 L HN 0.096 nan 8.230 nan 0.000 0.433 303 L N -0.744 120.442 121.223 -0.061 0.000 1.971 303 L HA -0.286 4.054 4.340 -0.001 0.000 0.215 303 L C 2.585 179.467 176.870 0.020 0.000 1.072 303 L CA 1.527 56.364 54.840 -0.005 0.000 0.758 303 L CB -0.382 41.691 42.059 0.024 0.000 0.889 303 L HN 0.276 nan 8.230 nan 0.000 0.433 304 L N -0.159 121.056 121.223 -0.014 0.000 2.127 304 L HA -0.232 4.107 4.340 -0.001 0.000 0.211 304 L C 2.467 179.348 176.870 0.018 0.000 1.089 304 L CA 1.694 56.541 54.840 0.013 0.000 0.757 304 L CB -0.931 41.122 42.059 -0.011 0.000 0.899 304 L HN 0.429 nan 8.230 nan 0.000 0.434 305 E N -0.817 119.384 120.200 0.001 0.000 2.051 305 E HA -0.091 4.258 4.350 -0.001 0.000 0.189 305 E C 2.142 178.754 176.600 0.019 0.000 0.979 305 E CA 0.875 57.279 56.400 0.006 0.000 0.803 305 E CB -0.217 29.478 29.700 -0.008 0.000 0.761 305 E HN 0.488 nan 8.360 nan 0.000 0.451 306 G N 1.304 110.115 108.800 0.020 0.000 2.422 306 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.218 306 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.218 306 G C 1.566 176.508 174.900 0.070 0.000 1.140 306 G CA 0.198 45.318 45.100 0.033 0.000 0.775 306 G HN 0.069 nan 8.290 nan 0.000 0.545 307 L N 0.175 121.450 121.223 0.088 0.000 2.005 307 L HA -0.074 4.265 4.340 -0.001 0.000 0.207 307 L C 3.133 180.054 176.870 0.085 0.000 1.072 307 L CA 1.645 56.561 54.840 0.127 0.000 0.744 307 L CB -0.416 41.724 42.059 0.135 0.000 0.895 307 L HN 0.188 nan 8.230 nan 0.000 0.433 308 T N -0.474 114.117 114.554 0.062 0.000 2.867 308 T HA -0.104 4.245 4.350 -0.001 0.000 0.268 308 T C 1.783 176.507 174.700 0.039 0.000 1.057 308 T CA 1.071 63.198 62.100 0.046 0.000 1.136 308 T CB -0.063 68.827 68.868 0.037 0.000 0.874 308 T HN 0.461 nan 8.240 nan 0.000 0.466 309 A N 1.117 123.960 122.820 0.039 0.000 1.898 309 A HA 0.104 4.424 4.320 -0.001 0.000 0.216 309 A C 2.219 179.826 177.584 0.038 0.000 1.181 309 A CA 0.926 52.983 52.037 0.032 0.000 0.620 309 A CB -0.722 18.295 19.000 0.028 0.000 0.819 309 A HN 0.464 nan 8.150 nan 0.000 0.442 310 L N -1.725 119.530 121.223 0.054 0.000 2.265 310 L HA -0.055 4.285 4.340 -0.001 0.000 0.215 310 L C 2.049 178.944 176.870 0.043 0.000 1.117 310 L CA 1.112 55.988 54.840 0.060 0.000 0.782 310 L CB -0.259 41.859 42.059 0.100 0.000 0.914 310 L HN 0.669 nan 8.230 nan 0.000 0.441 311 G N -0.814 108.009 108.800 0.037 0.000 2.307 311 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.210 311 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.210 311 G C 0.169 175.080 174.900 0.019 0.000 1.005 311 G CA -0.329 44.785 45.100 0.024 0.000 0.634 311 G HN 0.125 nan 8.290 nan 0.000 0.496 312 L N 1.771 123.007 121.223 0.022 0.000 2.490 312 L HA 0.381 4.721 4.340 -0.001 0.000 0.274 312 L C 0.751 177.638 176.870 0.029 0.000 1.201 312 L CA 0.390 55.235 54.840 0.007 0.000 0.869 312 L CB 0.485 42.539 42.059 -0.009 0.000 1.123 312 L HN 0.124 nan 8.230 nan 0.000 0.484 313 K N 2.863 123.277 120.400 0.023 0.000 2.183 313 K HA 0.796 5.115 4.320 -0.001 0.000 0.274 313 K C -0.535 176.118 176.600 0.089 0.000 1.009 313 K CA -0.436 55.881 56.287 0.050 0.000 0.888 313 K CB 1.615 34.139 32.500 0.040 0.000 1.078 313 K HN 0.688 nan 8.250 nan 0.000 0.459 314 A N 1.937 124.822 122.820 0.109 0.000 2.587 314 A HA 0.450 4.770 4.320 -0.001 0.000 0.293 314 A C -1.307 176.366 177.584 0.149 0.000 1.087 314 A CA -0.713 51.414 52.037 0.151 0.000 0.692 314 A CB 1.603 20.688 19.000 0.142 0.000 1.291 314 A HN 0.420 nan 8.150 nan 0.000 0.407 315 V N 2.667 122.696 119.914 0.191 0.000 2.385 315 V HA 0.245 4.365 4.120 -0.001 0.000 0.269 315 V C 0.876 177.070 176.094 0.167 0.000 1.043 315 V CA -0.365 62.048 62.300 0.189 0.000 0.906 315 V CB 0.908 32.915 31.823 0.306 0.000 0.995 315 V HN 0.807 nan 8.190 nan 0.000 0.467 316 R N 8.405 128.982 120.500 0.129 0.000 2.457 316 R HA 0.118 4.457 4.340 -0.001 0.000 0.335 316 R C -2.103 174.284 176.300 0.147 0.000 1.003 316 R CA -0.963 55.208 56.100 0.117 0.000 1.003 316 R CB 0.510 30.861 30.300 0.085 0.000 0.950 316 R HN 0.510 nan 8.270 nan 0.000 0.428 317 P HA 0.056 nan 4.420 nan 0.000 0.272 317 P C -0.493 176.942 177.300 0.224 0.000 1.223 317 P CA -0.175 63.046 63.100 0.201 0.000 0.784 317 P CB 1.403 33.268 31.700 0.274 0.000 0.923 318 S N -0.058 115.737 115.700 0.158 0.000 2.506 318 S HA 0.324 4.793 4.470 -0.001 0.000 0.219 318 S C 0.838 175.398 174.600 -0.066 0.000 1.031 318 S CA 0.326 58.608 58.200 0.138 0.000 0.911 318 S CB 0.379 63.627 63.200 0.081 0.000 0.812 318 S HN 0.812 nan 8.310 nan 0.000 0.497 319 G N -0.016 108.700 108.800 -0.139 0.000 2.725 319 G HA2 0.705 4.664 3.960 -0.001 0.000 0.288 319 G HA3 0.705 4.664 3.960 -0.001 0.000 0.288 319 G C -0.555 174.189 174.900 -0.260 0.000 1.399 319 G CA -0.062 44.798 45.100 -0.401 0.000 0.859 319 G HN 0.760 nan 8.290 nan 0.000 0.479 320 A N -1.255 121.363 122.820 -0.336 0.000 6.647 320 A HA 0.207 4.526 4.320 -0.001 0.000 0.236 320 A C 0.109 177.491 177.584 -0.337 0.000 2.220 320 A CA 1.199 52.952 52.037 -0.474 0.000 0.695 320 A CB -1.367 17.172 19.000 -0.767 0.000 0.942 320 A HN 2.319 nan 8.150 nan 0.000 0.371 321 F N -2.772 116.766 119.950 -0.687 0.000 2.879 321 F HA 0.701 5.227 4.527 -0.001 0.000 0.354 321 F C -0.327 174.567 175.800 -1.509 0.000 1.291 321 F CA -1.092 56.259 58.000 -1.081 0.000 1.238 321 F CB -0.911 37.430 39.000 -1.098 0.000 1.005 321 F HN 0.479 nan 8.300 nan 0.000 0.508 322 Y N -0.786 119.371 120.300 -0.238 0.000 2.587 322 Y HA 0.807 5.356 4.550 -0.001 0.000 0.337 322 Y C -0.400 175.536 175.900 0.059 0.000 1.065 322 Y CA -1.815 56.197 58.100 -0.146 0.000 1.126 322 Y CB 2.412 40.750 38.460 -0.203 0.000 1.279 322 Y HN -0.171 nan 8.280 nan 0.000 0.489 323 V N 2.783 122.836 119.914 0.233 0.000 2.697 323 V HA 0.225 4.344 4.120 -0.001 0.000 0.300 323 V C -0.960 175.193 176.094 0.098 0.000 1.115 323 V CA -0.861 61.563 62.300 0.207 0.000 0.912 323 V CB 2.049 34.043 31.823 0.284 0.000 1.024 323 V HN 0.582 nan 8.190 nan 0.000 0.431 324 L N 5.362 126.605 121.223 0.034 0.000 2.261 324 L HA 0.527 4.866 4.340 -0.001 0.000 0.289 324 L C 0.055 177.029 176.870 0.173 0.000 1.059 324 L CA 0.056 54.893 54.840 -0.006 0.000 0.816 324 L CB 1.154 43.085 42.059 -0.214 0.000 1.191 324 L HN 0.673 nan 8.230 nan 0.000 0.431 325 M N 3.276 122.973 119.600 0.163 0.000 2.318 325 M HA 0.215 4.695 4.480 -0.001 0.000 0.347 325 M C -0.508 175.854 176.300 0.102 0.000 1.175 325 M CA -0.482 54.904 55.300 0.144 0.000 1.075 325 M CB 1.419 34.055 32.600 0.059 0.000 1.614 325 M HN 0.339 nan 8.290 nan 0.000 0.456 326 D N 2.674 123.080 120.400 0.010 0.000 2.374 326 D HA 0.078 4.718 4.640 -0.001 0.000 0.240 326 D C 1.054 177.255 176.300 -0.166 0.000 1.229 326 D CA 0.127 53.993 54.000 -0.224 0.000 0.895 326 D CB 0.907 41.599 40.800 -0.179 0.000 1.046 326 D HN 0.703 nan 8.370 nan 0.000 0.498 327 T N 0.046 114.495 114.554 -0.175 0.000 3.163 327 T HA -0.122 4.227 4.350 -0.001 0.000 0.260 327 T C 1.920 176.556 174.700 -0.108 0.000 1.156 327 T CA 0.708 62.731 62.100 -0.128 0.000 1.072 327 T CB -0.110 68.702 68.868 -0.093 0.000 0.937 327 T HN 0.209 nan 8.240 nan 0.000 0.528 328 S N 3.003 118.631 115.700 -0.119 0.000 2.408 328 S HA -0.131 4.338 4.470 -0.001 0.000 0.241 328 S C 0.178 174.744 174.600 -0.056 0.000 1.080 328 S CA 1.988 60.139 58.200 -0.082 0.000 1.109 328 S CB -0.965 62.188 63.200 -0.078 0.000 0.966 328 S HN 0.672 nan 8.310 nan 0.000 0.449 329 P HA 0.241 nan 4.420 nan 0.000 0.238 329 P C 1.501 178.774 177.300 -0.045 0.000 1.183 329 P CA 0.318 63.394 63.100 -0.041 0.000 0.813 329 P CB -0.116 31.562 31.700 -0.035 0.000 0.944 330 I N -0.751 119.780 120.570 -0.064 0.000 3.291 330 I HA 0.123 4.293 4.170 -0.001 0.000 0.279 330 I C 0.588 176.675 176.117 -0.050 0.000 1.294 330 I CA 0.288 61.547 61.300 -0.069 0.000 1.428 330 I CB -0.007 37.922 38.000 -0.119 0.000 1.070 330 I HN -0.044 nan 8.210 nan 0.000 0.478 331 A N -0.352 122.443 122.820 -0.042 0.000 2.441 331 A HA 0.362 4.682 4.320 -0.001 0.000 0.295 331 A C -2.470 175.098 177.584 -0.026 0.000 0.992 331 A CA -0.663 51.358 52.037 -0.028 0.000 0.603 331 A CB -0.170 18.815 19.000 -0.024 0.000 1.385 331 A HN -0.106 nan 8.150 nan 0.000 0.470 332 P HA 0.189 nan 4.420 nan 0.000 0.252 332 P C -0.385 176.910 177.300 -0.009 0.000 1.218 332 P CA 1.365 64.456 63.100 -0.014 0.000 0.807 332 P CB 0.180 31.874 31.700 -0.010 0.000 1.072 333 D N -1.529 118.869 120.400 -0.004 0.000 2.652 333 D HA 0.041 4.680 4.640 -0.001 0.000 0.285 333 D C 0.424 176.734 176.300 0.018 0.000 1.173 333 D CA -0.611 53.396 54.000 0.012 0.000 0.981 333 D CB 0.428 41.235 40.800 0.012 0.000 1.440 333 D HN -0.175 nan 8.370 nan 0.000 0.485 334 E N 0.124 120.354 120.200 0.049 0.000 2.476 334 E HA 0.046 4.395 4.350 -0.001 0.000 0.191 334 E C 0.531 177.162 176.600 0.052 0.000 1.064 334 E CA 0.248 56.680 56.400 0.053 0.000 0.866 334 E CB -0.106 29.652 29.700 0.096 0.000 0.952 334 E HN 0.281 nan 8.360 nan 0.000 0.492 335 V N 0.308 120.248 119.914 0.044 0.000 3.048 335 V HA 0.132 4.252 4.120 -0.001 0.000 0.241 335 V C 2.369 178.477 176.094 0.024 0.000 1.129 335 V CA 0.559 62.882 62.300 0.039 0.000 1.128 335 V CB -0.269 31.578 31.823 0.040 0.000 0.849 335 V HN 0.095 nan 8.190 nan 0.000 0.475 336 R N 0.922 121.431 120.500 0.015 0.000 2.119 336 R HA 0.084 4.424 4.340 -0.001 0.000 0.222 336 R C 2.437 178.739 176.300 0.003 0.000 1.088 336 R CA 1.229 57.334 56.100 0.008 0.000 0.984 336 R CB -0.456 29.846 30.300 0.003 0.000 0.884 336 R HN 0.499 nan 8.270 nan 0.000 0.447 337 A N 1.551 124.371 122.820 -0.002 0.000 1.908 337 A HA -0.150 4.169 4.320 -0.001 0.000 0.218 337 A C 2.388 179.964 177.584 -0.013 0.000 1.181 337 A CA 1.766 53.793 52.037 -0.017 0.000 0.627 337 A CB -0.642 18.341 19.000 -0.028 0.000 0.818 337 A HN 0.379 nan 8.150 nan 0.000 0.445 338 A N -0.070 122.753 122.820 0.006 0.000 1.908 338 A HA -0.200 4.119 4.320 -0.001 0.000 0.218 338 A C 1.933 179.532 177.584 0.025 0.000 1.181 338 A CA 1.710 53.759 52.037 0.020 0.000 0.627 338 A CB -0.542 18.480 19.000 0.036 0.000 0.818 338 A HN 0.670 nan 8.150 nan 0.000 0.445 339 E N -0.919 119.294 120.200 0.022 0.000 2.072 339 E HA -0.198 4.151 4.350 -0.001 0.000 0.190 339 E C 2.223 178.837 176.600 0.022 0.000 0.982 339 E CA 1.130 57.544 56.400 0.023 0.000 0.803 339 E CB -0.199 29.512 29.700 0.019 0.000 0.755 339 E HN 0.552 nan 8.360 nan 0.000 0.453 340 R N 1.504 122.012 120.500 0.014 0.000 2.117 340 R HA -0.149 4.190 4.340 -0.001 0.000 0.243 340 R C 2.029 178.344 176.300 0.024 0.000 1.143 340 R CA 1.302 57.409 56.100 0.012 0.000 0.968 340 R CB -0.427 29.871 30.300 -0.003 0.000 0.863 340 R HN 0.171 nan 8.270 nan 0.000 0.444 341 L N -0.324 120.915 121.223 0.025 0.000 2.240 341 L HA -0.010 4.329 4.340 -0.001 0.000 0.211 341 L C 2.314 179.235 176.870 0.084 0.000 1.106 341 L CA 0.513 55.389 54.840 0.061 0.000 0.793 341 L CB -0.257 41.830 42.059 0.046 0.000 0.927 341 L HN 0.290 nan 8.230 nan 0.000 0.446 342 L N -0.196 121.063 121.223 0.060 0.000 2.156 342 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 342 L C 2.202 179.101 176.870 0.049 0.000 1.095 342 L CA 1.336 56.209 54.840 0.056 0.000 0.770 342 L CB -0.013 42.072 42.059 0.043 0.000 0.914 342 L HN 0.319 nan 8.230 nan 0.000 0.439 343 E N -0.239 119.987 120.200 0.043 0.000 2.268 343 E HA -0.128 4.221 4.350 -0.001 0.000 0.195 343 E C 1.406 178.032 176.600 0.044 0.000 0.995 343 E CA 0.904 57.327 56.400 0.037 0.000 0.836 343 E CB 0.018 29.736 29.700 0.029 0.000 0.763 343 E HN 0.486 nan 8.360 nan 0.000 0.491 344 A N 0.209 123.066 122.820 0.062 0.000 2.532 344 A HA 0.395 4.714 4.320 -0.001 0.000 0.273 344 A C 1.050 178.677 177.584 0.071 0.000 1.342 344 A CA 0.336 52.416 52.037 0.073 0.000 0.929 344 A CB -0.462 18.603 19.000 0.109 0.000 1.051 344 A HN 0.196 nan 8.150 nan 0.000 0.521 345 G N -0.819 108.015 108.800 0.056 0.000 2.372 345 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.297 345 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.297 345 G C -0.148 174.784 174.900 0.053 0.000 1.005 345 G CA 0.624 45.751 45.100 0.044 0.000 1.173 345 G HN 1.529 nan 8.290 nan 0.000 0.511 346 V N -0.155 119.809 119.914 0.083 0.000 2.663 346 V HA 0.708 4.827 4.120 -0.001 0.000 0.286 346 V C 0.166 176.333 176.094 0.122 0.000 1.085 346 V CA -0.031 62.333 62.300 0.106 0.000 0.916 346 V CB 1.320 33.246 31.823 0.171 0.000 1.039 346 V HN 1.706 nan 8.190 nan 0.000 0.453 347 A N 6.773 129.646 122.820 0.088 0.000 2.347 347 A HA 0.755 5.074 4.320 -0.001 0.000 0.287 347 A C -0.071 177.573 177.584 0.099 0.000 1.199 347 A CA 0.201 52.287 52.037 0.082 0.000 0.851 347 A CB 0.707 19.743 19.000 0.060 0.000 1.118 347 A HN 1.766 nan 8.150 nan 0.000 0.525 348 V N 0.812 120.786 119.914 0.101 0.000 3.103 348 V HA 0.853 4.973 4.120 -0.001 0.000 0.318 348 V C -0.312 175.833 176.094 0.085 0.000 1.114 348 V CA -0.861 61.500 62.300 0.102 0.000 1.020 348 V CB 1.705 33.588 31.823 0.101 0.000 1.085 348 V HN 0.533 nan 8.190 nan 0.000 0.446 349 V N 1.862 121.825 119.914 0.082 0.000 2.378 349 V HA 0.452 4.572 4.120 -0.001 0.000 0.288 349 V C -2.498 173.657 176.094 0.101 0.000 1.016 349 V CA -1.847 60.517 62.300 0.107 0.000 0.840 349 V CB 1.314 33.224 31.823 0.146 0.000 0.994 349 V HN 0.868 nan 8.190 nan 0.000 0.431 350 P HA 0.090 nan 4.420 nan 0.000 0.264 350 P C 1.120 178.527 177.300 0.179 0.000 1.193 350 P CA 0.238 63.408 63.100 0.117 0.000 0.763 350 P CB 0.760 32.526 31.700 0.109 0.000 0.810 351 G N 2.335 111.203 108.800 0.113 0.000 2.708 351 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.210 351 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.210 351 G C 1.211 176.181 174.900 0.118 0.000 1.141 351 G CA 0.510 45.666 45.100 0.093 0.000 0.788 351 G HN 0.387 nan 8.290 nan 0.000 0.531 352 T N 1.294 115.947 114.554 0.166 0.000 2.653 352 T HA -0.165 4.184 4.350 -0.001 0.000 0.268 352 T C 1.691 176.434 174.700 0.070 0.000 1.035 352 T CA 1.715 63.938 62.100 0.205 0.000 1.154 352 T CB -0.224 68.770 68.868 0.210 0.000 0.862 352 T HN 0.260 nan 8.240 nan 0.000 0.441 353 D N -0.009 120.359 120.400 -0.053 0.000 2.349 353 D HA 0.106 4.746 4.640 -0.001 0.000 0.224 353 D C 0.797 176.744 176.300 -0.589 0.000 1.029 353 D CA 0.318 54.148 54.000 -0.282 0.000 0.879 353 D CB -0.172 40.397 40.800 -0.386 0.000 0.906 353 D HN 0.448 nan 8.370 nan 0.000 0.528 354 F N -0.113 119.555 119.950 -0.469 0.000 2.678 354 F HA 0.400 4.926 4.527 -0.001 0.000 0.305 354 F C 1.336 176.519 175.800 -1.029 0.000 1.090 354 F CA -0.196 57.347 58.000 -0.761 0.000 1.272 354 F CB 0.159 38.869 39.000 -0.483 0.000 1.060 354 F HN -0.134 nan 8.300 nan 0.000 0.576 355 A N 0.738 123.095 122.820 -0.772 0.000 2.872 355 A HA -0.057 4.263 4.320 -0.001 0.000 0.273 355 A C 0.841 177.781 177.584 -1.074 0.000 1.442 355 A CA 0.680 52.064 52.037 -1.088 0.000 0.801 355 A CB -1.984 16.706 19.000 -0.518 0.000 1.031 355 A HN 0.699 nan 8.150 nan 0.000 0.582 356 A N -0.122 122.201 122.820 -0.829 0.000 3.257 356 A HA 0.630 4.949 4.320 -0.001 0.000 0.308 356 A C 0.052 177.509 177.584 -0.211 0.000 1.175 356 A CA -0.485 51.285 52.037 -0.445 0.000 1.018 356 A CB -0.543 18.243 19.000 -0.358 0.000 1.088 356 A HN 0.894 nan 8.150 nan 0.000 0.567 357 F N 0.544 120.569 119.950 0.124 0.000 2.602 357 F HA 0.355 4.882 4.527 -0.001 0.000 0.385 357 F C 1.596 177.494 175.800 0.164 0.000 1.063 357 F CA 1.321 59.397 58.000 0.126 0.000 1.233 357 F CB 0.429 39.478 39.000 0.082 0.000 1.067 357 F HN 0.586 nan 8.300 nan 0.000 0.564 358 G N 1.733 110.686 108.800 0.254 0.000 2.171 358 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.238 358 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.238 358 G C -0.634 174.180 174.900 -0.145 0.000 1.039 358 G CA -0.362 44.773 45.100 0.058 0.000 0.759 358 G HN 0.902 nan 8.290 nan 0.000 0.501 359 H N -2.490 116.603 119.070 0.038 0.000 3.017 359 H HA 0.742 5.297 4.556 -0.001 0.000 0.346 359 H C -0.947 174.363 175.328 -0.029 0.000 1.286 359 H CA -0.391 55.655 56.048 -0.004 0.000 1.120 359 H CB 2.544 32.291 29.762 -0.025 0.000 1.860 359 H HN 0.459 nan 8.280 nan 0.000 0.542 360 V N 1.455 121.419 119.914 0.083 0.000 2.808 360 V HA 0.346 4.465 4.120 -0.001 0.000 0.308 360 V C -0.815 175.268 176.094 -0.019 0.000 1.099 360 V CA -0.760 61.550 62.300 0.018 0.000 0.920 360 V CB 1.976 33.804 31.823 0.009 0.000 1.014 360 V HN 0.703 nan 8.190 nan 0.000 0.425 361 R N 5.961 126.405 120.500 -0.094 0.000 2.325 361 R HA 0.401 4.741 4.340 -0.001 0.000 0.323 361 R C -0.637 175.672 176.300 0.015 0.000 1.177 361 R CA -0.276 55.748 56.100 -0.127 0.000 1.018 361 R CB -0.039 30.030 30.300 -0.385 0.000 1.070 361 R HN 0.654 nan 8.270 nan 0.000 0.495 362 L N 1.804 123.080 121.223 0.087 0.000 2.452 362 L HA 0.155 4.494 4.340 -0.001 0.000 0.267 362 L C 0.575 177.536 176.870 0.151 0.000 1.188 362 L CA 0.020 54.955 54.840 0.157 0.000 0.821 362 L CB 1.372 43.565 42.059 0.223 0.000 1.102 362 L HN 0.492 nan 8.230 nan 0.000 0.470 363 S N 0.276 116.038 115.700 0.104 0.000 2.746 363 S HA 0.288 4.758 4.470 -0.001 0.000 0.273 363 S C 0.096 174.621 174.600 -0.124 0.000 1.172 363 S CA -0.742 57.435 58.200 -0.037 0.000 1.116 363 S CB 0.294 63.512 63.200 0.030 0.000 1.057 363 S HN 0.475 nan 8.310 nan 0.000 0.483 364 Y N 2.378 122.654 120.300 -0.040 0.000 2.519 364 Y HA 0.454 5.003 4.550 -0.001 0.000 0.311 364 Y C 1.514 177.300 175.900 -0.190 0.000 1.207 364 Y CA 0.167 58.219 58.100 -0.080 0.000 1.289 364 Y CB -0.677 37.771 38.460 -0.019 0.000 1.059 364 Y HN 0.627 nan 8.280 nan 0.000 0.507 365 A N 0.580 123.055 122.820 -0.576 0.000 2.239 365 A HA 0.057 4.376 4.320 -0.001 0.000 0.209 365 A C 1.516 178.845 177.584 -0.425 0.000 1.171 365 A CA 0.780 52.313 52.037 -0.839 0.000 0.768 365 A CB -1.054 16.772 19.000 -1.956 0.000 0.790 365 A HN 0.563 nan 8.150 nan 0.000 0.478 366 T N -3.103 111.304 114.554 -0.245 0.000 2.893 366 T HA 0.482 4.831 4.350 -0.001 0.000 0.281 366 T C 0.643 175.264 174.700 -0.132 0.000 1.027 366 T CA 0.169 62.165 62.100 -0.173 0.000 0.953 366 T CB 0.432 69.230 68.868 -0.116 0.000 1.434 366 T HN 0.385 nan 8.240 nan 0.000 0.597 367 S N -0.448 115.183 115.700 -0.116 0.000 2.576 367 S HA 0.064 4.533 4.470 -0.001 0.000 0.272 367 S C 1.223 175.787 174.600 -0.061 0.000 1.352 367 S CA -0.318 57.823 58.200 -0.097 0.000 1.021 367 S CB 0.088 63.236 63.200 -0.087 0.000 0.887 367 S HN 0.724 nan 8.310 nan 0.000 0.542 368 E N 1.338 121.507 120.200 -0.053 0.000 2.204 368 E HA -0.138 4.212 4.350 -0.001 0.000 0.195 368 E C 1.669 178.244 176.600 -0.041 0.000 0.990 368 E CA 1.135 57.513 56.400 -0.037 0.000 0.821 368 E CB -0.100 29.583 29.700 -0.029 0.000 0.750 368 E HN 0.898 nan 8.360 nan 0.000 0.477 369 E N -0.064 120.109 120.200 -0.045 0.000 2.371 369 E HA -0.040 4.310 4.350 -0.001 0.000 0.194 369 E C 1.190 177.757 176.600 -0.055 0.000 1.012 369 E CA 0.314 56.687 56.400 -0.045 0.000 0.860 369 E CB 0.093 29.770 29.700 -0.038 0.000 0.811 369 E HN 0.296 nan 8.360 nan 0.000 0.502 370 N N -0.280 118.384 118.700 -0.060 0.000 2.415 370 N HA 0.017 4.756 4.740 -0.001 0.000 0.176 370 N C 1.597 177.050 175.510 -0.095 0.000 1.042 370 N CA 0.134 53.141 53.050 -0.071 0.000 0.902 370 N CB 0.281 38.730 38.487 -0.064 0.000 0.986 370 N HN 0.103 nan 8.380 nan 0.000 0.447 371 L N 0.378 121.554 121.223 -0.078 0.000 2.270 371 L HA 0.045 4.384 4.340 -0.001 0.000 0.210 371 L C 2.405 179.208 176.870 -0.111 0.000 1.104 371 L CA 0.680 55.467 54.840 -0.089 0.000 0.804 371 L CB -0.018 42.017 42.059 -0.039 0.000 0.937 371 L HN 0.045 nan 8.230 nan 0.000 0.450 372 R N -0.184 120.264 120.500 -0.086 0.000 2.093 372 R HA -0.098 4.241 4.340 -0.001 0.000 0.224 372 R C 2.318 178.562 176.300 -0.094 0.000 1.101 372 R CA 1.027 57.081 56.100 -0.077 0.000 0.979 372 R CB 0.076 30.344 30.300 -0.053 0.000 0.877 372 R HN 0.144 nan 8.270 nan 0.000 0.441 373 K N -0.192 120.148 120.400 -0.100 0.000 2.021 373 K HA -0.004 4.315 4.320 -0.001 0.000 0.205 373 K C 1.932 178.434 176.600 -0.163 0.000 1.047 373 K CA 1.123 57.350 56.287 -0.100 0.000 0.943 373 K CB -0.055 32.400 32.500 -0.075 0.000 0.725 373 K HN 0.138 nan 8.250 nan 0.000 0.439 374 A N 1.636 124.317 122.820 -0.233 0.000 1.978 374 A HA -0.154 4.166 4.320 -0.001 0.000 0.220 374 A C 1.967 179.093 177.584 -0.762 0.000 1.170 374 A CA 1.055 52.831 52.037 -0.435 0.000 0.636 374 A CB -0.490 18.250 19.000 -0.433 0.000 0.810 374 A HN 0.347 nan 8.150 nan 0.000 0.448 375 L N -0.422 120.497 121.223 -0.507 0.000 2.395 375 L HA -0.042 4.298 4.340 -0.001 0.000 0.218 375 L C 2.133 178.914 176.870 -0.148 0.000 1.130 375 L CA 1.983 56.597 54.840 -0.376 0.000 0.826 375 L CB -0.667 41.289 42.059 -0.172 0.000 0.941 375 L HN 0.697 nan 8.230 nan 0.000 0.451 376 E N -0.350 119.772 120.200 -0.131 0.000 2.086 376 E HA -0.134 4.216 4.350 -0.001 0.000 0.190 376 E C 2.052 178.649 176.600 -0.004 0.000 0.975 376 E CA 0.208 56.582 56.400 -0.043 0.000 0.813 376 E CB 0.180 29.854 29.700 -0.044 0.000 0.768 376 E HN 0.372 nan 8.360 nan 0.000 0.457 377 R N -0.216 120.264 120.500 -0.034 0.000 2.148 377 R HA -0.062 4.277 4.340 -0.001 0.000 0.227 377 R C 2.295 178.714 176.300 0.198 0.000 1.103 377 R CA 0.933 57.062 56.100 0.049 0.000 0.983 377 R CB -0.288 30.028 30.300 0.026 0.000 0.874 377 R HN 0.320 nan 8.270 nan 0.000 0.451 378 F N 1.117 121.075 119.950 0.013 0.000 2.060 378 F HA -0.161 4.365 4.527 -0.001 0.000 0.295 378 F C 2.828 178.635 175.800 0.012 0.000 1.120 378 F CA 0.299 58.308 58.000 0.014 0.000 1.205 378 F CB -0.364 38.646 39.000 0.017 0.000 0.986 378 F HN 0.089 nan 8.300 nan 0.000 0.470 379 A N 0.879 123.836 122.820 0.229 0.000 1.940 379 A HA -0.290 4.030 4.320 -0.001 0.000 0.221 379 A C 2.114 179.749 177.584 0.085 0.000 1.190 379 A CA 2.171 54.281 52.037 0.122 0.000 0.647 379 A CB -0.870 18.176 19.000 0.076 0.000 0.821 379 A HN 0.378 nan 8.150 nan 0.000 0.457 380 R N -1.425 119.123 120.500 0.081 0.000 2.073 380 R HA -0.003 4.337 4.340 -0.001 0.000 0.229 380 R C 2.050 178.383 176.300 0.054 0.000 1.120 380 R CA 1.125 57.260 56.100 0.057 0.000 0.967 380 R CB -0.767 29.562 30.300 0.048 0.000 0.862 380 R HN 0.359 nan 8.270 nan 0.000 0.436 381 V N 2.100 122.056 119.914 0.071 0.000 2.380 381 V HA -0.173 3.946 4.120 -0.001 0.000 0.251 381 V C 1.444 177.556 176.094 0.029 0.000 1.063 381 V CA 1.429 63.759 62.300 0.049 0.000 1.055 381 V CB -0.229 31.627 31.823 0.054 0.000 0.657 381 V HN 0.124 nan 8.190 nan 0.000 0.455 382 L N 0.000 121.244 121.223 0.035 0.000 2.949 382 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 382 L CA 0.000 54.852 54.840 0.020 0.000 0.813 382 L CB 0.000 42.074 42.059 0.024 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502