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 1rf5_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKLKTNIRHL HGIIRVPGDK SISHRSIIFG SLAEGETKVY DILRGEDVLS DATA SEQUENCE TMQVFRDLGV EIEDKDGVIT VQGVGMAGLK APQNALNMGN SGTSIRLISG DATA SEQUENCE VLAGADFEVE MFGDDSLSKR PMDRVTLPLK KMGVSISGQT ERDLPPLRLK DATA SEQUENCE GTKNLRPIHY ELPIASAQVK SALMFAALQA KGESVIIEKE YTRNHTEDML DATA SEQUENCE QQFGGHLSVD GKKITVQGPQ KLTGQKVVVP GDISSAAFWL VAGLIAPNSR DATA SEQUENCE LVLQNVGINE TRTGIIDVIR AMGGKLEITE IDPVAKSATL IVESSDLKGT DATA SEQUENCE EICGALIPRL IDELPIIALL ATQAQGVTVI KDAEELKVKE TDRIQVVADA DATA SEQUENCE LNSMGADITP TADGMIIKGK SALHGARVNT FGDHRIGMMT AIAALLVADG DATA SEQUENCE EVELDRAEAI NTSYPSFFDD LESLIHG 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 0.000 176.264 176.300 -0.060 0.000 1.140 1 M CA 0.000 55.252 55.300 -0.079 0.000 0.988 1 M CB 0.000 32.530 32.600 -0.117 0.000 1.302 2 K N 5.340 125.701 120.400 -0.064 0.000 2.264 2 K HA 0.534 4.854 4.320 -0.000 0.000 0.277 2 K C -0.933 175.644 176.600 -0.039 0.000 1.067 2 K CA -0.446 55.818 56.287 -0.039 0.000 0.900 2 K CB 1.120 33.602 32.500 -0.030 0.000 1.124 2 K HN 0.639 nan 8.250 nan 0.000 0.469 3 L N 2.418 123.639 121.223 -0.003 0.000 2.418 3 L HA 0.230 4.570 4.340 -0.000 0.000 0.265 3 L C 0.892 177.779 176.870 0.029 0.000 1.143 3 L CA -0.474 54.386 54.840 0.034 0.000 0.809 3 L CB 0.410 42.521 42.059 0.088 0.000 1.124 3 L HN 0.260 nan 8.230 nan 0.000 0.456 4 K N 1.658 122.084 120.400 0.043 0.000 2.379 4 K HA 0.218 4.538 4.320 -0.000 0.000 0.284 4 K C -0.145 176.467 176.600 0.019 0.000 1.044 4 K CA -0.106 56.194 56.287 0.022 0.000 0.974 4 K CB 0.792 33.302 32.500 0.017 0.000 0.962 4 K HN 0.710 nan 8.250 nan 0.000 0.474 5 T N -0.655 113.902 114.554 0.006 0.000 2.942 5 T HA 0.230 4.580 4.350 -0.000 0.000 0.289 5 T C 0.180 174.872 174.700 -0.012 0.000 1.044 5 T CA -0.929 61.173 62.100 0.004 0.000 1.023 5 T CB 1.126 70.001 68.868 0.011 0.000 1.123 5 T HN 0.642 nan 8.240 nan 0.000 0.512 6 N N 0.076 118.769 118.700 -0.012 0.000 2.727 6 N HA -0.124 4.615 4.740 -0.000 0.000 0.251 6 N C -0.828 174.648 175.510 -0.057 0.000 1.040 6 N CA 0.132 53.166 53.050 -0.025 0.000 0.712 6 N CB -1.360 37.115 38.487 -0.019 0.000 0.912 6 N HN 0.649 nan 8.380 nan 0.000 0.545 7 I N 1.171 121.703 120.570 -0.063 0.000 2.371 7 I HA 0.148 4.318 4.170 -0.000 0.000 0.290 7 I C 1.852 177.894 176.117 -0.124 0.000 1.028 7 I CA 0.042 61.275 61.300 -0.113 0.000 1.345 7 I CB 1.336 39.286 38.000 -0.084 0.000 1.407 7 I HN 0.365 nan 8.210 nan 0.000 0.501 8 R N 5.869 126.233 120.500 -0.227 0.000 2.282 8 R HA 0.090 4.430 4.340 -0.000 0.000 0.195 8 R C -0.462 175.777 176.300 -0.100 0.000 0.909 8 R CA 0.480 56.480 56.100 -0.168 0.000 1.039 8 R CB -0.071 30.137 30.300 -0.154 0.000 1.015 8 R HN 0.763 nan 8.270 nan 0.000 0.513 9 H N -1.855 117.223 119.070 0.012 0.000 3.046 9 H HA 0.694 5.250 4.556 -0.000 0.000 0.363 9 H C -1.742 173.573 175.328 -0.021 0.000 1.203 9 H CA -1.226 54.838 56.048 0.027 0.000 1.169 9 H CB 1.098 30.942 29.762 0.136 0.000 1.851 9 H HN -0.037 nan 8.280 nan 0.000 0.546 10 L N 3.159 124.400 121.223 0.030 0.000 2.491 10 L HA 0.450 4.790 4.340 -0.000 0.000 0.267 10 L C -1.422 175.236 176.870 -0.354 0.000 0.971 10 L CA -0.086 54.706 54.840 -0.080 0.000 0.857 10 L CB 1.133 43.143 42.059 -0.082 0.000 1.226 10 L HN 0.852 nan 8.230 nan 0.000 0.408 11 H N 2.631 121.696 119.070 -0.010 0.000 2.894 11 H HA 0.879 5.435 4.556 -0.000 0.000 0.367 11 H C -0.206 175.079 175.328 -0.073 0.000 1.144 11 H CA -0.434 55.589 56.048 -0.042 0.000 1.180 11 H CB 2.494 32.225 29.762 -0.052 0.000 1.758 11 H HN 0.726 nan 8.280 nan 0.000 0.541 12 G N 1.300 110.118 108.800 0.030 0.000 2.352 12 G HA2 0.232 4.192 3.960 -0.000 0.000 0.302 12 G HA3 0.232 4.192 3.960 -0.000 0.000 0.302 12 G C -1.867 172.992 174.900 -0.068 0.000 1.370 12 G CA -0.989 44.091 45.100 -0.034 0.000 0.918 12 G HN 0.399 nan 8.290 nan 0.000 0.610 13 I N 0.400 120.929 120.570 -0.069 0.000 2.378 13 I HA 0.623 4.793 4.170 -0.000 0.000 0.291 13 I C -0.042 176.022 176.117 -0.090 0.000 0.992 13 I CA -0.656 60.606 61.300 -0.064 0.000 1.154 13 I CB 1.824 39.805 38.000 -0.031 0.000 1.315 13 I HN 0.395 nan 8.210 nan 0.000 0.448 14 I N 5.662 126.174 120.570 -0.097 0.000 2.545 14 I HA 0.453 4.623 4.170 -0.000 0.000 0.292 14 I C -0.289 175.835 176.117 0.011 0.000 1.040 14 I CA -0.689 60.557 61.300 -0.089 0.000 1.068 14 I CB 1.941 39.782 38.000 -0.265 0.000 1.251 14 I HN 0.454 nan 8.210 nan 0.000 0.424 15 R N 5.191 125.719 120.500 0.046 0.000 2.239 15 R HA 0.438 4.778 4.340 -0.000 0.000 0.332 15 R C -0.667 175.700 176.300 0.111 0.000 0.988 15 R CA -0.638 55.504 56.100 0.070 0.000 0.859 15 R CB 1.439 31.766 30.300 0.046 0.000 1.148 15 R HN 0.499 nan 8.270 nan 0.000 0.482 16 V N 1.778 121.773 119.914 0.136 0.000 2.811 16 V HA 0.331 4.451 4.120 -0.000 0.000 0.302 16 V C -2.034 174.041 176.094 -0.032 0.000 1.063 16 V CA -2.029 60.333 62.300 0.103 0.000 1.088 16 V CB 0.217 32.143 31.823 0.171 0.000 0.982 16 V HN 0.545 nan 8.190 nan 0.000 0.485 17 P HA 0.207 nan 4.420 nan 0.000 0.266 17 P C 0.549 177.792 177.300 -0.094 0.000 1.193 17 P CA 0.670 63.679 63.100 -0.152 0.000 0.770 17 P CB 0.164 31.703 31.700 -0.268 0.000 0.836 18 G N 1.601 110.365 108.800 -0.061 0.000 2.630 18 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.236 18 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.236 18 G C -0.244 174.619 174.900 -0.061 0.000 1.248 18 G CA -0.343 44.730 45.100 -0.046 0.000 0.844 18 G HN 0.530 nan 8.290 nan 0.000 0.588 19 D N 0.162 120.528 120.400 -0.057 0.000 2.389 19 D HA 0.040 4.680 4.640 -0.000 0.000 0.247 19 D C 1.177 177.418 176.300 -0.100 0.000 1.128 19 D CA -0.174 53.782 54.000 -0.073 0.000 0.884 19 D CB 1.060 41.802 40.800 -0.098 0.000 1.194 19 D HN 0.394 nan 8.370 nan 0.000 0.441 20 K N 1.420 121.771 120.400 -0.081 0.000 2.057 20 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 20 K C 1.974 178.545 176.600 -0.048 0.000 1.050 20 K CA 1.058 57.292 56.287 -0.089 0.000 0.935 20 K CB 0.175 32.668 32.500 -0.012 0.000 0.715 20 K HN 0.258 nan 8.250 nan 0.000 0.439 21 S N 0.650 116.327 115.700 -0.039 0.000 2.368 21 S HA -0.093 4.377 4.470 -0.000 0.000 0.224 21 S C 1.861 176.437 174.600 -0.040 0.000 1.029 21 S CA 1.198 59.393 58.200 -0.008 0.000 0.988 21 S CB -0.186 62.947 63.200 -0.112 0.000 0.838 21 S HN 0.219 nan 8.310 nan 0.000 0.462 22 I N 1.355 121.825 120.570 -0.166 0.000 2.353 22 I HA -0.085 4.085 4.170 -0.000 0.000 0.248 22 I C 2.377 178.486 176.117 -0.013 0.000 1.119 22 I CA 0.683 61.934 61.300 -0.082 0.000 1.417 22 I CB -0.295 37.636 38.000 -0.115 0.000 1.078 22 I HN 0.148 nan 8.210 nan 0.000 0.421 23 S N -0.455 115.203 115.700 -0.071 0.000 2.382 23 S HA -0.188 4.282 4.470 -0.000 0.000 0.228 23 S C 2.010 176.559 174.600 -0.085 0.000 1.027 23 S CA 1.133 59.271 58.200 -0.104 0.000 0.991 23 S CB -0.396 62.686 63.200 -0.196 0.000 0.823 23 S HN 0.450 nan 8.310 nan 0.000 0.469 24 H N 1.004 120.090 119.070 0.026 0.000 2.326 24 H HA 0.131 4.687 4.556 -0.000 0.000 0.301 24 H C 2.395 177.764 175.328 0.069 0.000 1.081 24 H CA 1.197 57.273 56.048 0.047 0.000 1.334 24 H CB -0.178 29.619 29.762 0.057 0.000 1.385 24 H HN 0.254 nan 8.280 nan 0.000 0.504 25 R N 0.634 121.282 120.500 0.247 0.000 2.148 25 R HA -0.086 4.254 4.340 -0.000 0.000 0.227 25 R C 2.608 179.053 176.300 0.241 0.000 1.103 25 R CA 1.220 57.507 56.100 0.311 0.000 0.983 25 R CB 0.026 30.558 30.300 0.386 0.000 0.874 25 R HN 0.329 nan 8.270 nan 0.000 0.451 26 S N 0.283 116.065 115.700 0.136 0.000 2.399 26 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 26 S C 1.852 176.470 174.600 0.030 0.000 1.022 26 S CA 0.822 59.088 58.200 0.109 0.000 0.983 26 S CB -0.141 63.115 63.200 0.093 0.000 0.803 26 S HN 0.102 nan 8.310 nan 0.000 0.480 27 I N 1.760 122.310 120.570 -0.032 0.000 2.333 27 I HA 0.071 4.241 4.170 -0.000 0.000 0.246 27 I C 2.374 178.220 176.117 -0.451 0.000 1.106 27 I CA 0.625 61.824 61.300 -0.169 0.000 1.411 27 I CB -1.199 36.749 38.000 -0.087 0.000 1.082 27 I HN 0.310 nan 8.210 nan 0.000 0.420 28 I N 0.114 120.453 120.570 -0.385 0.000 2.202 28 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 28 I C 2.462 178.233 176.117 -0.576 0.000 1.091 28 I CA 1.548 62.476 61.300 -0.621 0.000 1.368 28 I CB -0.485 37.231 38.000 -0.473 0.000 1.058 28 I HN -0.028 nan 8.210 nan 0.000 0.410 29 F N 0.950 120.639 119.950 -0.434 0.000 2.234 29 F HA -0.077 4.450 4.527 -0.000 0.000 0.299 29 F C 2.489 177.916 175.800 -0.621 0.000 1.087 29 F CA 1.358 58.956 58.000 -0.670 0.000 1.340 29 F CB -0.658 37.599 39.000 -1.237 0.000 1.031 29 F HN 0.027 nan 8.300 nan 0.000 0.500 30 G N -1.449 107.247 108.800 -0.174 0.000 2.448 30 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.218 30 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.218 30 G C 1.739 176.607 174.900 -0.053 0.000 1.135 30 G CA 0.967 46.110 45.100 0.073 0.000 0.784 30 G HN 0.315 nan 8.290 nan 0.000 0.543 31 S N 0.135 115.674 115.700 -0.269 0.000 2.406 31 S HA 0.136 4.606 4.470 -0.000 0.000 0.224 31 S C 2.051 176.566 174.600 -0.142 0.000 1.030 31 S CA 0.180 58.212 58.200 -0.280 0.000 0.958 31 S CB -0.051 62.745 63.200 -0.672 0.000 0.811 31 S HN 0.250 nan 8.310 nan 0.000 0.489 32 L N 1.041 122.160 121.223 -0.173 0.000 2.492 32 L HA 0.230 4.570 4.340 -0.000 0.000 0.223 32 L C 1.143 178.024 176.870 0.018 0.000 1.132 32 L CA -0.195 54.597 54.840 -0.081 0.000 0.850 32 L CB -0.396 41.567 42.059 -0.159 0.000 0.966 32 L HN 0.191 nan 8.230 nan 0.000 0.454 33 A N 0.022 122.885 122.820 0.073 0.000 2.259 33 A HA 0.315 4.635 4.320 -0.000 0.000 0.278 33 A C -0.139 177.520 177.584 0.125 0.000 1.107 33 A CA -0.288 51.856 52.037 0.178 0.000 0.828 33 A CB 0.377 19.603 19.000 0.377 0.000 1.111 33 A HN 0.168 nan 8.150 nan 0.000 0.498 34 E N -0.842 119.434 120.200 0.126 0.000 2.113 34 E HA 0.506 4.855 4.350 -0.000 0.000 0.273 34 E C 0.330 176.976 176.600 0.077 0.000 0.924 34 E CA 0.783 57.235 56.400 0.086 0.000 0.764 34 E CB 1.050 30.795 29.700 0.075 0.000 1.104 34 E HN 1.314 nan 8.360 nan 0.000 0.406 35 G N 3.206 112.043 108.800 0.061 0.000 2.337 35 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.197 35 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.197 35 G C -1.011 173.916 174.900 0.045 0.000 1.238 35 G CA -0.814 44.314 45.100 0.046 0.000 1.119 35 G HN 0.528 nan 8.290 nan 0.000 0.514 36 E N -0.259 119.960 120.200 0.032 0.000 2.191 36 E HA 0.645 4.995 4.350 -0.000 0.000 0.278 36 E C -0.838 175.780 176.600 0.030 0.000 0.972 36 E CA -0.396 56.020 56.400 0.027 0.000 0.804 36 E CB 1.326 31.035 29.700 0.015 0.000 1.110 36 E HN 0.436 nan 8.360 nan 0.000 0.394 37 T N 4.560 119.139 114.554 0.042 0.000 2.809 37 T HA 0.321 4.671 4.350 -0.000 0.000 0.284 37 T C -0.732 173.977 174.700 0.015 0.000 0.992 37 T CA -0.725 61.408 62.100 0.056 0.000 0.957 37 T CB 0.952 69.921 68.868 0.168 0.000 0.942 37 T HN 0.264 nan 8.240 nan 0.000 0.439 38 K N 2.868 123.269 120.400 0.000 0.000 2.293 38 K HA 0.586 4.906 4.320 -0.000 0.000 0.267 38 K C -0.858 175.690 176.600 -0.087 0.000 1.010 38 K CA -0.663 55.581 56.287 -0.072 0.000 0.875 38 K CB 1.764 34.255 32.500 -0.016 0.000 1.106 38 K HN 0.325 nan 8.250 nan 0.000 0.450 39 V N 4.496 124.292 119.914 -0.196 0.000 2.398 39 V HA 0.355 4.475 4.120 -0.000 0.000 0.286 39 V C -0.831 175.089 176.094 -0.289 0.000 1.026 39 V CA -0.853 61.374 62.300 -0.121 0.000 0.868 39 V CB 0.426 32.219 31.823 -0.050 0.000 0.982 39 V HN 0.581 nan 8.190 nan 0.000 0.443 40 Y N 1.330 121.633 120.300 0.006 0.000 2.468 40 Y HA 0.401 4.951 4.550 -0.000 0.000 0.342 40 Y C 0.839 176.738 175.900 -0.002 0.000 1.021 40 Y CA -0.798 57.302 58.100 0.001 0.000 1.079 40 Y CB 1.508 39.967 38.460 -0.002 0.000 1.226 40 Y HN 0.785 nan 8.280 nan 0.000 0.460 41 D N 1.427 121.920 120.400 0.155 0.000 2.723 41 D HA -0.252 4.387 4.640 -0.000 0.000 0.236 41 D C -0.339 175.980 176.300 0.033 0.000 1.138 41 D CA 0.587 54.636 54.000 0.081 0.000 0.676 41 D CB -0.681 40.166 40.800 0.078 0.000 1.069 41 D HN 0.423 nan 8.370 nan 0.000 0.430 42 I N 0.575 121.150 120.570 0.010 0.000 2.696 42 I HA 0.073 4.243 4.170 -0.000 0.000 0.284 42 I C 0.554 176.650 176.117 -0.036 0.000 1.129 42 I CA -0.445 60.841 61.300 -0.022 0.000 1.410 42 I CB 0.686 38.663 38.000 -0.038 0.000 1.399 42 I HN 0.046 nan 8.210 nan 0.000 0.579 43 L N 7.477 128.663 121.223 -0.063 0.000 2.361 43 L HA 0.254 4.594 4.340 -0.000 0.000 0.278 43 L C -0.061 176.766 176.870 -0.071 0.000 1.113 43 L CA 0.259 55.055 54.840 -0.073 0.000 0.849 43 L CB 0.248 42.247 42.059 -0.099 0.000 1.155 43 L HN 0.527 nan 8.230 nan 0.000 0.452 44 R N 3.917 124.389 120.500 -0.046 0.000 2.205 44 R HA 0.664 5.004 4.340 -0.000 0.000 0.342 44 R C -0.313 175.969 176.300 -0.030 0.000 1.058 44 R CA 0.232 56.312 56.100 -0.033 0.000 0.904 44 R CB 0.642 30.934 30.300 -0.014 0.000 1.089 44 R HN 0.921 nan 8.270 nan 0.000 0.471 45 G N 1.204 109.983 108.800 -0.035 0.000 2.660 45 G HA2 0.097 4.057 3.960 -0.000 0.000 0.290 45 G HA3 0.097 4.057 3.960 -0.000 0.000 0.290 45 G C -0.273 174.620 174.900 -0.011 0.000 1.432 45 G CA -0.520 44.566 45.100 -0.024 0.000 0.807 45 G HN 0.433 nan 8.290 nan 0.000 0.485 46 E N -0.070 120.129 120.200 -0.002 0.000 2.204 46 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 46 E C 1.488 178.101 176.600 0.021 0.000 0.989 46 E CA 1.128 57.531 56.400 0.005 0.000 0.824 46 E CB 0.140 29.841 29.700 0.002 0.000 0.756 46 E HN 0.497 nan 8.360 nan 0.000 0.477 47 D N -0.128 120.298 120.400 0.042 0.000 2.123 47 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 47 D C 2.071 178.500 176.300 0.216 0.000 0.976 47 D CA 0.641 54.713 54.000 0.120 0.000 0.831 47 D CB -0.042 40.859 40.800 0.168 0.000 0.974 47 D HN 0.009 nan 8.370 nan 0.000 0.469 48 V N 0.627 120.576 119.914 0.058 0.000 2.453 48 V HA -0.123 3.997 4.120 -0.000 0.000 0.247 48 V C 2.447 178.563 176.094 0.036 0.000 1.048 48 V CA 0.912 63.191 62.300 -0.035 0.000 1.049 48 V CB -0.419 31.292 31.823 -0.187 0.000 0.672 48 V HN 0.168 nan 8.190 nan 0.000 0.457 49 L N -0.119 121.117 121.223 0.022 0.000 2.201 49 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 49 L C 2.561 179.450 176.870 0.032 0.000 1.105 49 L CA 1.167 56.019 54.840 0.021 0.000 0.775 49 L CB -0.402 41.662 42.059 0.008 0.000 0.913 49 L HN 0.277 nan 8.230 nan 0.000 0.440 50 S N -1.070 114.653 115.700 0.038 0.000 2.383 50 S HA -0.143 4.326 4.470 -0.000 0.000 0.227 50 S C 1.985 176.604 174.600 0.032 0.000 1.026 50 S CA 1.640 59.846 58.200 0.011 0.000 0.981 50 S CB -0.172 63.020 63.200 -0.013 0.000 0.818 50 S HN 0.450 nan 8.310 nan 0.000 0.472 51 T N 2.277 116.894 114.554 0.105 0.000 2.821 51 T HA 0.042 4.392 4.350 -0.000 0.000 0.267 51 T C 1.791 176.625 174.700 0.224 0.000 1.046 51 T CA 1.016 63.218 62.100 0.171 0.000 1.139 51 T CB -0.241 68.804 68.868 0.296 0.000 0.871 51 T HN 0.310 nan 8.240 nan 0.000 0.454 52 M N 0.574 120.261 119.600 0.146 0.000 2.175 52 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 52 M C 2.558 178.925 176.300 0.113 0.000 1.063 52 M CA 1.320 56.695 55.300 0.124 0.000 1.119 52 M CB -0.238 32.396 32.600 0.057 0.000 1.377 52 M HN 0.115 nan 8.290 nan 0.000 0.415 53 Q N 0.138 119.977 119.800 0.065 0.000 2.172 53 Q HA -0.058 4.282 4.340 -0.000 0.000 0.200 53 Q C 1.774 177.782 176.000 0.014 0.000 0.964 53 Q CA 1.266 57.088 55.803 0.032 0.000 0.855 53 Q CB -0.239 28.503 28.738 0.006 0.000 0.918 53 Q HN 0.314 nan 8.270 nan 0.000 0.444 54 V N 0.030 119.934 119.914 -0.016 0.000 2.295 54 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 54 V C 1.775 177.781 176.094 -0.147 0.000 1.049 54 V CA 1.832 64.061 62.300 -0.120 0.000 1.024 54 V CB -0.571 31.118 31.823 -0.222 0.000 0.648 54 V HN 0.338 nan 8.190 nan 0.000 0.447 55 F N -0.233 119.695 119.950 -0.036 0.000 2.234 55 F HA -0.065 4.462 4.527 -0.000 0.000 0.299 55 F C 2.593 178.377 175.800 -0.026 0.000 1.087 55 F CA 1.232 59.211 58.000 -0.035 0.000 1.340 55 F CB -0.257 38.716 39.000 -0.044 0.000 1.031 55 F HN -0.054 nan 8.300 nan 0.000 0.500 56 R N 0.169 120.755 120.500 0.144 0.000 2.115 56 R HA -0.138 4.202 4.340 -0.000 0.000 0.230 56 R C 1.455 177.774 176.300 0.032 0.000 1.111 56 R CA 1.448 57.592 56.100 0.074 0.000 0.976 56 R CB -0.346 29.985 30.300 0.051 0.000 0.870 56 R HN 0.233 nan 8.270 nan 0.000 0.445 57 D N 0.388 120.793 120.400 0.009 0.000 2.234 57 D HA -0.071 4.569 4.640 -0.000 0.000 0.205 57 D C 1.695 177.973 176.300 -0.037 0.000 0.962 57 D CA 0.797 54.787 54.000 -0.017 0.000 0.855 57 D CB 0.100 40.884 40.800 -0.026 0.000 0.951 57 D HN 0.190 nan 8.370 nan 0.000 0.500 58 L N -0.746 120.460 121.223 -0.029 0.000 2.492 58 L HA 0.155 4.495 4.340 -0.000 0.000 0.223 58 L C 1.603 178.466 176.870 -0.011 0.000 1.132 58 L CA 0.705 55.524 54.840 -0.036 0.000 0.850 58 L CB 0.184 42.227 42.059 -0.027 0.000 0.966 58 L HN 0.172 nan 8.230 nan 0.000 0.454 59 G N -0.900 107.909 108.800 0.015 0.000 2.205 59 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.180 59 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.180 59 G C 0.090 175.014 174.900 0.041 0.000 1.004 59 G CA -0.242 44.866 45.100 0.013 0.000 0.670 59 G HN -0.000 nan 8.290 nan 0.000 0.496 60 V N 1.594 121.556 119.914 0.080 0.000 2.488 60 V HA 0.404 4.524 4.120 -0.000 0.000 0.277 60 V C 0.722 176.844 176.094 0.047 0.000 1.046 60 V CA -0.430 61.914 62.300 0.073 0.000 0.986 60 V CB 1.736 33.623 31.823 0.108 0.000 0.989 60 V HN 0.343 nan 8.190 nan 0.000 0.475 61 E N 4.585 124.801 120.200 0.025 0.000 2.129 61 E HA 0.376 4.726 4.350 -0.000 0.000 0.283 61 E C -1.127 175.476 176.600 0.006 0.000 1.080 61 E CA -0.261 56.148 56.400 0.015 0.000 0.867 61 E CB 0.581 30.286 29.700 0.010 0.000 1.056 61 E HN 0.569 nan 8.360 nan 0.000 0.404 62 I N 3.897 124.471 120.570 0.007 0.000 2.418 62 I HA 0.194 4.364 4.170 -0.000 0.000 0.287 62 I C -0.015 176.098 176.117 -0.007 0.000 1.008 62 I CA -0.427 60.870 61.300 -0.004 0.000 1.104 62 I CB 1.846 39.847 38.000 0.001 0.000 1.264 62 I HN 0.376 nan 8.210 nan 0.000 0.438 63 E N 5.445 125.634 120.200 -0.018 0.000 2.113 63 E HA 0.160 4.510 4.350 -0.000 0.000 0.273 63 E C -1.280 175.302 176.600 -0.030 0.000 0.924 63 E CA -0.516 55.872 56.400 -0.020 0.000 0.764 63 E CB 1.141 30.829 29.700 -0.021 0.000 1.104 63 E HN 0.426 nan 8.360 nan 0.000 0.406 64 D N 4.976 125.363 120.400 -0.022 0.000 2.467 64 D HA 0.201 4.841 4.640 -0.000 0.000 0.220 64 D C -1.084 175.203 176.300 -0.021 0.000 1.103 64 D CA -0.128 53.857 54.000 -0.025 0.000 0.886 64 D CB 0.479 41.270 40.800 -0.016 0.000 1.025 64 D HN 0.243 nan 8.370 nan 0.000 0.514 65 K N 2.717 123.100 120.400 -0.028 0.000 2.541 65 K HA 0.155 4.475 4.320 -0.000 0.000 0.250 65 K C -0.742 175.849 176.600 -0.016 0.000 0.950 65 K CA -0.517 55.760 56.287 -0.018 0.000 0.805 65 K CB 1.113 33.604 32.500 -0.015 0.000 1.166 65 K HN 0.169 nan 8.250 nan 0.000 0.430 66 D N 3.000 123.398 120.400 -0.004 0.000 2.751 66 D HA -0.203 4.437 4.640 -0.000 0.000 0.233 66 D C 0.609 176.913 176.300 0.007 0.000 1.149 66 D CA 1.711 55.715 54.000 0.006 0.000 0.682 66 D CB -1.085 39.723 40.800 0.015 0.000 1.068 66 D HN 1.112 nan 8.370 nan 0.000 0.429 67 G N -2.000 106.797 108.800 -0.005 0.000 2.162 67 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 67 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 67 G C 0.289 175.167 174.900 -0.037 0.000 0.976 67 G CA 0.340 45.436 45.100 -0.007 0.000 0.655 67 G HN 0.620 nan 8.290 nan 0.000 0.533 68 V N 2.415 122.284 119.914 -0.074 0.000 2.417 68 V HA 0.599 4.719 4.120 -0.000 0.000 0.291 68 V C 0.367 176.354 176.094 -0.179 0.000 1.024 68 V CA -1.141 61.044 62.300 -0.192 0.000 0.861 68 V CB 1.790 33.489 31.823 -0.207 0.000 0.985 68 V HN 0.232 nan 8.190 nan 0.000 0.436 69 I N 3.648 124.085 120.570 -0.222 0.000 2.336 69 I HA 0.437 4.607 4.170 -0.000 0.000 0.292 69 I C 0.241 176.266 176.117 -0.154 0.000 0.991 69 I CA 0.016 61.229 61.300 -0.146 0.000 1.227 69 I CB 1.390 39.327 38.000 -0.105 0.000 1.366 69 I HN 0.547 nan 8.210 nan 0.000 0.466 70 T N 5.909 120.405 114.554 -0.097 0.000 2.815 70 T HA 0.519 4.869 4.350 -0.000 0.000 0.289 70 T C -0.084 174.592 174.700 -0.040 0.000 1.000 70 T CA -0.450 61.607 62.100 -0.070 0.000 0.958 70 T CB 1.722 70.556 68.868 -0.057 0.000 0.944 70 T HN 0.254 nan 8.240 nan 0.000 0.442 71 V N 4.224 124.122 119.914 -0.027 0.000 2.417 71 V HA 0.410 4.530 4.120 -0.000 0.000 0.291 71 V C -0.329 175.765 176.094 -0.001 0.000 1.024 71 V CA -1.020 61.269 62.300 -0.019 0.000 0.861 71 V CB 1.758 33.564 31.823 -0.029 0.000 0.985 71 V HN 0.694 nan 8.190 nan 0.000 0.436 72 Q N 3.074 122.874 119.800 -0.000 0.000 2.360 72 Q HA 0.391 4.731 4.340 -0.000 0.000 0.254 72 Q C 0.455 176.463 176.000 0.013 0.000 0.975 72 Q CA -0.068 55.741 55.803 0.011 0.000 0.912 72 Q CB 1.696 30.441 28.738 0.010 0.000 1.212 72 Q HN 0.934 nan 8.270 nan 0.000 0.452 73 G N 0.911 109.728 108.800 0.027 0.000 2.406 73 G HA2 0.298 4.258 3.960 -0.000 0.000 0.251 73 G HA3 0.298 4.258 3.960 -0.000 0.000 0.251 73 G C 0.928 175.847 174.900 0.033 0.000 1.271 73 G CA -0.379 44.740 45.100 0.032 0.000 0.859 73 G HN 0.480 nan 8.290 nan 0.000 0.540 74 V N 0.599 120.532 119.914 0.032 0.000 3.431 74 V HA 0.639 4.759 4.120 -0.000 0.000 0.253 74 V C 1.274 177.396 176.094 0.046 0.000 1.184 74 V CA 0.802 63.127 62.300 0.041 0.000 1.104 74 V CB -0.981 30.872 31.823 0.050 0.000 0.799 74 V HN 1.957 nan 8.190 nan 0.000 0.462 75 G N 0.124 108.952 108.800 0.047 0.000 2.422 75 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.607 75 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.607 75 G C -0.209 174.719 174.900 0.047 0.000 1.270 75 G CA -0.010 45.121 45.100 0.052 0.000 0.992 75 G HN 0.242 nan 8.290 nan 0.000 0.499 76 M N 0.219 119.849 119.600 0.049 0.000 2.319 76 M HA 0.448 4.928 4.480 -0.000 0.000 0.265 76 M C 2.136 178.460 176.300 0.041 0.000 1.068 76 M CA 2.954 58.278 55.300 0.041 0.000 1.118 76 M CB -0.203 32.425 32.600 0.047 0.000 1.395 76 M HN 1.622 nan 8.290 nan 0.000 0.435 77 A N -1.558 121.292 122.820 0.049 0.000 2.610 77 A HA 0.605 4.925 4.320 -0.000 0.000 0.291 77 A C 1.433 179.063 177.584 0.078 0.000 1.116 77 A CA 0.093 52.164 52.037 0.057 0.000 0.963 77 A CB -0.776 18.251 19.000 0.045 0.000 1.220 77 A HN 0.442 nan 8.150 nan 0.000 0.530 78 G N 0.393 109.237 108.800 0.075 0.000 3.141 78 G HA2 0.367 4.327 3.960 -0.000 0.000 0.218 78 G HA3 0.367 4.327 3.960 -0.000 0.000 0.218 78 G C 0.594 175.547 174.900 0.089 0.000 1.170 78 G CA 0.065 45.209 45.100 0.073 0.000 0.769 78 G HN 0.646 nan 8.290 nan 0.000 0.546 79 L N -1.253 120.047 121.223 0.128 0.000 2.319 79 L HA 0.641 4.981 4.340 -0.000 0.000 0.280 79 L C -0.219 176.759 176.870 0.180 0.000 1.099 79 L CA -0.866 54.068 54.840 0.158 0.000 0.828 79 L CB 0.993 43.169 42.059 0.195 0.000 1.150 79 L HN -0.219 nan 8.230 nan 0.000 0.442 80 K N 2.524 122.924 120.400 -0.001 0.000 2.168 80 K HA 0.713 5.033 4.320 -0.000 0.000 0.239 80 K C -0.233 175.920 176.600 -0.745 0.000 0.999 80 K CA -0.828 55.300 56.287 -0.265 0.000 0.900 80 K CB 1.647 34.040 32.500 -0.178 0.000 1.111 80 K HN 0.818 nan 8.250 nan 0.000 0.452 81 A N 2.666 124.785 122.820 -1.169 0.000 2.409 81 A HA 0.288 4.608 4.320 -0.000 0.000 0.262 81 A C -1.917 175.395 177.584 -0.452 0.000 1.113 81 A CA -0.996 50.337 52.037 -1.173 0.000 0.790 81 A CB -0.508 17.934 19.000 -0.930 0.000 1.046 81 A HN 0.435 nan 8.150 nan 0.000 0.496 82 P HA 0.293 nan 4.420 nan 0.000 0.282 82 P C 0.156 177.402 177.300 -0.092 0.000 1.287 82 P CA -0.260 62.761 63.100 -0.132 0.000 0.792 82 P CB 0.842 32.499 31.700 -0.071 0.000 1.163 83 Q N -0.052 119.716 119.800 -0.053 0.000 2.013 83 Q HA 0.058 4.398 4.340 -0.000 0.000 0.195 83 Q C 0.370 176.359 176.000 -0.019 0.000 0.974 83 Q CA 1.392 57.173 55.803 -0.037 0.000 0.826 83 Q CB 0.004 28.726 28.738 -0.027 0.000 0.895 83 Q HN 0.600 nan 8.270 nan 0.000 0.448 84 N N -0.559 118.140 118.700 -0.001 0.000 2.653 84 N HA 0.525 5.265 4.740 -0.000 0.000 0.261 84 N C -1.377 174.162 175.510 0.049 0.000 1.216 84 N CA 0.102 53.157 53.050 0.008 0.000 0.784 84 N CB 1.480 39.964 38.487 -0.006 0.000 1.327 84 N HN 0.306 nan 8.380 nan 0.000 0.539 85 A N 1.295 124.155 122.820 0.068 0.000 2.435 85 A HA -0.169 4.151 4.320 -0.000 0.000 0.686 85 A C -0.823 176.900 177.584 0.231 0.000 0.139 85 A CA -0.134 52.002 52.037 0.166 0.000 0.032 85 A CB -0.908 18.183 19.000 0.151 0.000 3.974 85 A HN 0.689 nan 8.150 nan 0.000 0.548 86 L N 2.500 123.833 121.223 0.182 0.000 2.282 86 L HA 0.412 4.752 4.340 -0.000 0.000 0.288 86 L C 0.601 177.355 176.870 -0.195 0.000 1.033 86 L CA -0.749 54.102 54.840 0.017 0.000 0.807 86 L CB 1.392 43.417 42.059 -0.057 0.000 1.209 86 L HN 0.765 nan 8.230 nan 0.000 0.423 87 N N 3.519 122.017 118.700 -0.336 0.000 2.408 87 N HA 0.244 4.984 4.740 -0.000 0.000 0.257 87 N C 0.360 175.613 175.510 -0.428 0.000 1.064 87 N CA -0.252 52.364 53.050 -0.725 0.000 0.952 87 N CB 1.267 39.465 38.487 -0.482 0.000 1.093 87 N HN 0.576 nan 8.380 nan 0.000 0.490 88 M N 1.531 120.863 119.600 -0.448 0.000 2.534 88 M HA 0.200 4.680 4.480 -0.000 0.000 0.263 88 M C 1.392 177.579 176.300 -0.189 0.000 1.152 88 M CA 0.384 55.534 55.300 -0.249 0.000 1.145 88 M CB -1.164 31.314 32.600 -0.203 0.000 1.333 88 M HN 0.662 nan 8.290 nan 0.000 0.477 89 G N 1.961 110.626 108.800 -0.226 0.000 2.536 89 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.277 89 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.277 89 G C 0.580 175.432 174.900 -0.078 0.000 1.155 89 G CA 0.700 45.722 45.100 -0.130 0.000 0.960 89 G HN 0.426 nan 8.290 nan 0.000 0.544 90 N N 0.453 119.125 118.700 -0.046 0.000 2.254 90 N HA 0.309 5.049 4.740 -0.000 0.000 0.190 90 N C 0.822 176.317 175.510 -0.024 0.000 1.107 90 N CA 1.191 54.225 53.050 -0.026 0.000 0.869 90 N CB 0.348 38.829 38.487 -0.011 0.000 0.983 90 N HN 0.578 nan 8.380 nan 0.000 0.487 91 S N -0.726 114.954 115.700 -0.033 0.000 2.443 91 S HA 0.263 4.733 4.470 -0.000 0.000 0.284 91 S C 1.344 175.902 174.600 -0.070 0.000 1.206 91 S CA -0.215 57.962 58.200 -0.038 0.000 1.074 91 S CB 0.516 63.692 63.200 -0.041 0.000 0.963 91 S HN 0.449 nan 8.310 nan 0.000 0.501 92 G N 3.478 112.246 108.800 -0.054 0.000 2.511 92 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.217 92 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.217 92 G C 1.237 176.089 174.900 -0.080 0.000 1.133 92 G CA 0.733 45.801 45.100 -0.052 0.000 0.792 92 G HN 0.695 nan 8.290 nan 0.000 0.539 93 T N 1.000 115.473 114.554 -0.134 0.000 2.857 93 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 93 T C 2.799 177.354 174.700 -0.242 0.000 1.048 93 T CA 1.352 63.333 62.100 -0.198 0.000 1.139 93 T CB -0.135 68.538 68.868 -0.326 0.000 0.874 93 T HN 0.225 nan 8.240 nan 0.000 0.455 94 S N 1.234 116.761 115.700 -0.288 0.000 2.355 94 S HA 0.040 4.510 4.470 -0.000 0.000 0.222 94 S C 2.003 176.514 174.600 -0.149 0.000 1.031 94 S CA 0.712 58.784 58.200 -0.213 0.000 0.993 94 S CB -0.387 62.713 63.200 -0.168 0.000 0.859 94 S HN 0.412 nan 8.310 nan 0.000 0.453 95 I N 0.963 121.458 120.570 -0.125 0.000 2.493 95 I HA -0.102 4.068 4.170 -0.000 0.000 0.254 95 I C 2.303 178.373 176.117 -0.078 0.000 1.160 95 I CA 1.095 62.335 61.300 -0.100 0.000 1.445 95 I CB 0.065 38.016 38.000 -0.082 0.000 1.086 95 I HN 0.115 nan 8.210 nan 0.000 0.433 96 R N -0.416 120.044 120.500 -0.067 0.000 2.090 96 R HA 0.096 4.436 4.340 -0.000 0.000 0.219 96 R C 2.154 178.442 176.300 -0.020 0.000 1.100 96 R CA 0.824 56.902 56.100 -0.037 0.000 0.991 96 R CB -0.074 30.213 30.300 -0.021 0.000 0.893 96 R HN 0.315 nan 8.270 nan 0.000 0.443 97 L N 0.494 121.704 121.223 -0.020 0.000 2.044 97 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 97 L C 2.306 179.143 176.870 -0.055 0.000 1.075 97 L CA 1.384 56.244 54.840 0.034 0.000 0.747 97 L CB -0.380 41.715 42.059 0.061 0.000 0.903 97 L HN 0.182 nan 8.230 nan 0.000 0.435 98 I N -0.692 119.802 120.570 -0.127 0.000 2.454 98 I HA -0.235 3.935 4.170 -0.000 0.000 0.254 98 I C 2.647 178.669 176.117 -0.158 0.000 1.156 98 I CA 0.642 61.822 61.300 -0.201 0.000 1.433 98 I CB -0.176 37.650 38.000 -0.291 0.000 1.082 98 I HN 0.149 nan 8.210 nan 0.000 0.432 99 S N 0.650 116.286 115.700 -0.106 0.000 2.370 99 S HA -0.152 4.318 4.470 -0.000 0.000 0.226 99 S C 2.109 176.669 174.600 -0.066 0.000 1.033 99 S CA 1.621 59.771 58.200 -0.082 0.000 1.011 99 S CB -0.531 62.633 63.200 -0.060 0.000 0.852 99 S HN 0.651 nan 8.310 nan 0.000 0.457 100 G N 0.280 109.062 108.800 -0.030 0.000 2.511 100 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.217 100 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.217 100 G C 1.354 176.255 174.900 0.002 0.000 1.133 100 G CA 0.612 45.718 45.100 0.010 0.000 0.792 100 G HN 0.432 nan 8.290 nan 0.000 0.539 101 V N 0.745 120.616 119.914 -0.072 0.000 2.379 101 V HA 0.028 4.148 4.120 -0.000 0.000 0.245 101 V C 2.404 178.436 176.094 -0.102 0.000 1.044 101 V CA 0.959 63.183 62.300 -0.127 0.000 1.036 101 V CB -0.230 31.446 31.823 -0.244 0.000 0.664 101 V HN 0.298 nan 8.190 nan 0.000 0.453 102 L N 0.343 121.491 121.223 -0.125 0.000 2.660 102 L HA 0.172 4.512 4.340 -0.000 0.000 0.238 102 L C 2.240 179.010 176.870 -0.167 0.000 1.161 102 L CA 0.387 55.134 54.840 -0.155 0.000 0.937 102 L CB -0.486 41.477 42.059 -0.159 0.000 1.122 102 L HN 0.294 nan 8.230 nan 0.000 0.435 103 A N 0.101 122.853 122.820 -0.113 0.000 1.969 103 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 103 A C 2.067 179.584 177.584 -0.111 0.000 1.169 103 A CA 1.432 53.409 52.037 -0.099 0.000 0.635 103 A CB -0.484 18.481 19.000 -0.058 0.000 0.810 103 A HN 0.418 nan 8.150 nan 0.000 0.445 104 G N -1.054 107.683 108.800 -0.105 0.000 3.371 104 G HA2 0.465 4.425 3.960 -0.000 0.000 0.248 104 G HA3 0.465 4.425 3.960 -0.000 0.000 0.248 104 G C 0.285 175.097 174.900 -0.147 0.000 1.161 104 G CA 0.585 45.628 45.100 -0.095 0.000 0.796 104 G HN 0.713 nan 8.290 nan 0.000 0.539 105 A N 1.274 123.931 122.820 -0.273 0.000 2.292 105 A HA 0.535 4.854 4.320 -0.000 0.000 0.319 105 A C 0.022 177.264 177.584 -0.570 0.000 1.206 105 A CA -0.663 51.065 52.037 -0.515 0.000 0.835 105 A CB 0.763 19.218 19.000 -0.909 0.000 1.164 105 A HN 0.203 nan 8.150 nan 0.000 0.505 106 D N 1.293 121.448 120.400 -0.408 0.000 3.179 106 D HA 0.388 5.028 4.640 -0.000 0.000 0.267 106 D C -0.651 175.613 176.300 -0.060 0.000 1.348 106 D CA -0.161 53.726 54.000 -0.189 0.000 0.897 106 D CB -0.873 39.902 40.800 -0.042 0.000 1.062 106 D HN 0.268 nan 8.370 nan 0.000 0.494 107 F N -2.381 117.559 119.950 -0.017 0.000 2.631 107 F HA 0.526 5.053 4.527 -0.000 0.000 0.308 107 F C -0.205 175.582 175.800 -0.021 0.000 1.097 107 F CA -1.400 56.590 58.000 -0.018 0.000 0.952 107 F CB 1.010 40.000 39.000 -0.017 0.000 1.307 107 F HN -0.328 nan 8.300 nan 0.000 0.450 108 E N 1.555 121.884 120.200 0.215 0.000 2.360 108 E HA 0.458 4.808 4.350 -0.000 0.000 0.269 108 E C -1.031 175.672 176.600 0.171 0.000 1.022 108 E CA -0.173 56.301 56.400 0.122 0.000 0.887 108 E CB 2.184 31.928 29.700 0.073 0.000 0.990 108 E HN 0.594 nan 8.360 nan 0.000 0.426 109 V N 2.763 122.740 119.914 0.105 0.000 3.114 109 V HA 0.273 4.393 4.120 -0.000 0.000 0.308 109 V C -1.093 175.034 176.094 0.055 0.000 1.168 109 V CA -0.625 61.735 62.300 0.100 0.000 1.015 109 V CB 2.456 34.356 31.823 0.128 0.000 1.050 109 V HN 0.621 nan 8.190 nan 0.000 0.433 110 E N 3.607 123.845 120.200 0.062 0.000 2.210 110 E HA 0.584 4.934 4.350 -0.000 0.000 0.266 110 E C -1.524 175.143 176.600 0.112 0.000 0.883 110 E CA -0.688 55.756 56.400 0.074 0.000 0.761 110 E CB 1.957 31.698 29.700 0.069 0.000 1.156 110 E HN 0.621 nan 8.360 nan 0.000 0.412 111 M N 4.839 124.500 119.600 0.101 0.000 2.134 111 M HA 0.373 4.853 4.480 -0.000 0.000 0.310 111 M C -1.020 175.369 176.300 0.148 0.000 0.966 111 M CA -0.834 54.512 55.300 0.076 0.000 0.922 111 M CB 0.898 33.493 32.600 -0.008 0.000 1.537 111 M HN 0.343 nan 8.290 nan 0.000 0.424 112 F N 0.765 120.697 119.950 -0.030 0.000 2.588 112 F HA 1.053 5.580 4.527 -0.000 0.000 0.314 112 F C -0.337 175.450 175.800 -0.022 0.000 1.069 112 F CA -0.780 57.206 58.000 -0.023 0.000 0.931 112 F CB 1.330 40.319 39.000 -0.018 0.000 1.260 112 F HN 0.522 nan 8.300 nan 0.000 0.465 113 G N 0.867 109.649 108.800 -0.031 0.000 3.135 113 G HA2 0.502 4.462 3.960 -0.000 0.000 0.278 113 G HA3 0.502 4.462 3.960 -0.000 0.000 0.278 113 G C -1.712 173.213 174.900 0.042 0.000 1.302 113 G CA -0.575 44.455 45.100 -0.117 0.000 0.880 113 G HN 0.873 nan 8.290 nan 0.000 0.574 114 D N -0.959 119.447 120.400 0.010 0.000 2.440 114 D HA 0.212 4.852 4.640 -0.000 0.000 0.269 114 D C 0.484 176.809 176.300 0.042 0.000 1.249 114 D CA -0.437 53.589 54.000 0.043 0.000 1.055 114 D CB 0.679 41.491 40.800 0.021 0.000 1.104 114 D HN 0.211 nan 8.370 nan 0.000 0.561 115 D N -0.967 119.455 120.400 0.037 0.000 2.219 115 D HA -0.144 4.496 4.640 -0.000 0.000 0.205 115 D C 1.646 177.959 176.300 0.022 0.000 0.970 115 D CA 0.921 54.939 54.000 0.031 0.000 0.851 115 D CB -0.031 40.786 40.800 0.027 0.000 0.943 115 D HN 0.306 nan 8.370 nan 0.000 0.488 116 S N 0.144 115.855 115.700 0.017 0.000 2.371 116 S HA 0.005 4.475 4.470 -0.000 0.000 0.224 116 S C 1.918 176.523 174.600 0.009 0.000 1.029 116 S CA 0.133 58.341 58.200 0.013 0.000 0.978 116 S CB -0.002 63.204 63.200 0.011 0.000 0.833 116 S HN 0.183 nan 8.310 nan 0.000 0.466 117 L N 0.948 122.174 121.223 0.005 0.000 2.156 117 L HA 0.025 4.365 4.340 -0.000 0.000 0.208 117 L C 2.054 178.928 176.870 0.006 0.000 1.095 117 L CA 1.002 55.841 54.840 -0.002 0.000 0.770 117 L CB -0.401 41.648 42.059 -0.018 0.000 0.914 117 L HN 0.326 nan 8.230 nan 0.000 0.439 118 S N -0.451 115.259 115.700 0.017 0.000 2.515 118 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 118 S C 1.597 176.207 174.600 0.017 0.000 0.987 118 S CA 0.786 59.001 58.200 0.024 0.000 0.936 118 S CB -0.013 63.209 63.200 0.036 0.000 0.766 118 S HN 0.369 nan 8.310 nan 0.000 0.528 119 K N 0.543 120.952 120.400 0.014 0.000 2.404 119 K HA 0.163 4.483 4.320 -0.000 0.000 0.194 119 K C 0.216 176.821 176.600 0.009 0.000 1.023 119 K CA 0.123 56.417 56.287 0.011 0.000 1.094 119 K CB 0.337 32.844 32.500 0.012 0.000 0.841 119 K HN 0.170 nan 8.250 nan 0.000 0.523 120 R N 1.988 122.492 120.500 0.007 0.000 2.312 120 R HA 0.193 4.533 4.340 -0.000 0.000 0.311 120 R C -2.500 173.802 176.300 0.004 0.000 1.004 120 R CA -1.964 54.139 56.100 0.005 0.000 0.902 120 R CB 0.792 31.093 30.300 0.003 0.000 1.073 120 R HN -0.042 nan 8.270 nan 0.000 0.457 121 P HA 0.067 nan 4.420 nan 0.000 0.275 121 P C -0.220 177.080 177.300 0.001 0.000 1.228 121 P CA -0.005 63.097 63.100 0.004 0.000 0.786 121 P CB 0.929 32.633 31.700 0.006 0.000 0.927 122 M N 0.924 120.522 119.600 -0.002 0.000 2.347 122 M HA 0.033 4.513 4.480 -0.000 0.000 0.324 122 M C 0.906 177.200 176.300 -0.010 0.000 1.028 122 M CA 0.189 55.484 55.300 -0.008 0.000 0.988 122 M CB -0.370 32.223 32.600 -0.013 0.000 1.528 122 M HN 0.330 nan 8.290 nan 0.000 0.550 123 D N 0.715 121.113 120.400 -0.004 0.000 2.264 123 D HA -0.167 4.473 4.640 -0.000 0.000 0.208 123 D C 1.599 177.897 176.300 -0.003 0.000 0.966 123 D CA 0.974 54.971 54.000 -0.005 0.000 0.864 123 D CB -0.275 40.526 40.800 0.002 0.000 0.933 123 D HN 0.295 nan 8.370 nan 0.000 0.499 124 R N -0.123 120.380 120.500 0.005 0.000 2.235 124 R HA 0.088 4.428 4.340 -0.000 0.000 0.213 124 R C 1.990 178.286 176.300 -0.005 0.000 1.059 124 R CA 0.359 56.470 56.100 0.017 0.000 0.997 124 R CB 0.262 30.579 30.300 0.029 0.000 0.884 124 R HN 0.138 nan 8.270 nan 0.000 0.462 125 V N -0.567 119.334 119.914 -0.022 0.000 2.922 125 V HA -0.099 4.021 4.120 -0.000 0.000 0.242 125 V C 2.186 178.239 176.094 -0.068 0.000 1.094 125 V CA 1.724 64.000 62.300 -0.041 0.000 1.106 125 V CB 0.313 32.121 31.823 -0.026 0.000 0.799 125 V HN 0.434 nan 8.190 nan 0.000 0.474 126 T N -1.211 113.310 114.554 -0.055 0.000 2.904 126 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 126 T C 1.889 176.541 174.700 -0.080 0.000 1.059 126 T CA 1.255 63.319 62.100 -0.060 0.000 1.137 126 T CB -0.310 68.534 68.868 -0.040 0.000 0.879 126 T HN 0.228 nan 8.240 nan 0.000 0.467 127 L N 2.409 123.582 121.223 -0.084 0.000 1.994 127 L HA 0.062 4.402 4.340 -0.000 0.000 0.208 127 L C -0.314 176.437 176.870 -0.198 0.000 1.071 127 L CA 1.707 56.489 54.840 -0.096 0.000 0.745 127 L CB -0.803 41.229 42.059 -0.045 0.000 0.892 127 L HN 0.208 nan 8.230 nan 0.000 0.431 128 P HA -0.137 nan 4.420 nan 0.000 0.222 128 P C 2.023 179.137 177.300 -0.309 0.000 1.153 128 P CA 1.341 64.076 63.100 -0.607 0.000 0.798 128 P CB 0.092 31.207 31.700 -0.974 0.000 0.796 129 L N -0.336 120.768 121.223 -0.198 0.000 2.156 129 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 129 L C 2.590 179.403 176.870 -0.095 0.000 1.095 129 L CA 1.332 56.099 54.840 -0.123 0.000 0.770 129 L CB -0.547 41.457 42.059 -0.092 0.000 0.914 129 L HN -0.100 nan 8.230 nan 0.000 0.439 130 K N -0.044 120.301 120.400 -0.092 0.000 2.283 130 K HA -0.162 4.157 4.320 -0.000 0.000 0.202 130 K C 1.936 178.503 176.600 -0.055 0.000 1.048 130 K CA 0.923 57.172 56.287 -0.064 0.000 0.948 130 K CB 0.071 32.538 32.500 -0.054 0.000 0.742 130 K HN 0.264 nan 8.250 nan 0.000 0.458 131 K N 0.091 120.449 120.400 -0.070 0.000 2.283 131 K HA -0.025 4.295 4.320 -0.000 0.000 0.202 131 K C 1.879 178.463 176.600 -0.026 0.000 1.048 131 K CA 1.034 57.296 56.287 -0.042 0.000 0.948 131 K CB 0.085 32.556 32.500 -0.048 0.000 0.742 131 K HN 0.135 nan 8.250 nan 0.000 0.458 132 M N -1.691 117.885 119.600 -0.039 0.000 2.394 132 M HA 0.050 4.530 4.480 -0.000 0.000 0.266 132 M C 1.376 177.661 176.300 -0.024 0.000 1.098 132 M CA 1.295 56.581 55.300 -0.024 0.000 1.149 132 M CB 0.786 33.366 32.600 -0.032 0.000 1.369 132 M HN 0.414 nan 8.290 nan 0.000 0.450 133 G N -0.376 108.403 108.800 -0.034 0.000 3.033 133 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.208 133 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.208 133 G C -0.099 174.775 174.900 -0.042 0.000 1.006 133 G CA -0.195 44.885 45.100 -0.033 0.000 0.808 133 G HN 0.239 nan 8.290 nan 0.000 0.499 134 V N 2.538 122.421 119.914 -0.052 0.000 2.521 134 V HA 0.649 4.769 4.120 -0.000 0.000 0.286 134 V C 0.614 176.676 176.094 -0.054 0.000 1.034 134 V CA 0.672 62.935 62.300 -0.062 0.000 1.045 134 V CB 1.425 33.204 31.823 -0.074 0.000 0.974 134 V HN 0.763 nan 8.190 nan 0.000 0.480 135 S N 5.820 121.490 115.700 -0.050 0.000 2.465 135 S HA 0.556 5.026 4.470 -0.000 0.000 0.279 135 S C 0.129 174.705 174.600 -0.041 0.000 1.201 135 S CA -0.554 57.622 58.200 -0.040 0.000 1.053 135 S CB 0.511 63.691 63.200 -0.033 0.000 0.953 135 S HN 0.622 nan 8.310 nan 0.000 0.488 136 I N 3.579 124.127 120.570 -0.037 0.000 5.247 136 I HA 0.469 4.639 4.170 -0.000 0.000 0.240 136 I C 0.644 176.747 176.117 -0.024 0.000 0.809 136 I CA 0.222 61.502 61.300 -0.034 0.000 2.363 136 I CB -1.010 36.967 38.000 -0.039 0.000 1.461 136 I HN 0.876 nan 8.210 nan 0.000 0.496 137 S N -0.151 115.536 115.700 -0.022 0.000 3.282 137 S HA 0.100 4.570 4.470 -0.000 0.000 0.856 137 S C -0.381 174.213 174.600 -0.010 0.000 1.110 137 S CA -0.182 58.009 58.200 -0.015 0.000 1.106 137 S CB -1.667 61.525 63.200 -0.013 0.000 0.770 137 S HN 1.273 nan 8.310 nan 0.000 0.262 138 G N 2.479 111.275 108.800 -0.006 0.000 3.291 138 G HA2 0.623 4.583 3.960 -0.000 0.000 0.173 138 G HA3 0.623 4.583 3.960 -0.000 0.000 0.173 138 G C -0.913 173.987 174.900 0.000 0.000 1.099 138 G CA -0.524 44.576 45.100 -0.001 0.000 0.794 138 G HN 0.948 nan 8.290 nan 0.000 0.651 139 Q N 0.702 120.504 119.800 0.003 0.000 2.245 139 Q HA 0.492 4.832 4.340 -0.000 0.000 0.256 139 Q C 0.243 176.244 176.000 0.002 0.000 0.942 139 Q CA 0.344 56.149 55.803 0.003 0.000 0.896 139 Q CB 1.738 30.480 28.738 0.005 0.000 1.272 139 Q HN 1.065 nan 8.270 nan 0.000 0.442 140 T N -1.342 113.212 114.554 0.001 0.000 0.541 140 T HA -0.245 4.104 4.350 -0.000 0.000 0.774 140 T C 0.706 175.407 174.700 0.000 0.000 0.992 140 T CA 0.806 62.907 62.100 0.001 0.000 4.077 140 T CB -0.428 68.442 68.868 0.002 0.000 2.303 140 T HN 0.808 nan 8.240 nan 0.000 0.398 141 E N 0.956 121.157 120.200 0.001 0.000 2.216 141 E HA 0.039 4.389 4.350 -0.000 0.000 0.192 141 E C 2.357 178.957 176.600 0.001 0.000 0.988 141 E CA 1.596 57.997 56.400 0.001 0.000 0.834 141 E CB -0.190 29.511 29.700 0.002 0.000 0.772 141 E HN 0.698 nan 8.360 nan 0.000 0.479 142 R N 0.043 120.545 120.500 0.002 0.000 2.310 142 R HA 0.068 4.408 4.340 -0.000 0.000 0.202 142 R C -0.476 175.825 176.300 0.001 0.000 0.933 142 R CA 0.555 56.657 56.100 0.003 0.000 1.054 142 R CB -0.282 30.020 30.300 0.005 0.000 0.985 142 R HN -0.170 nan 8.270 nan 0.000 0.489 143 D N 1.421 121.820 120.400 -0.000 0.000 2.927 143 D HA -0.145 4.495 4.640 -0.000 0.000 0.236 143 D C -0.601 175.699 176.300 0.000 0.000 1.163 143 D CA 0.882 54.881 54.000 -0.002 0.000 0.801 143 D CB -0.823 39.973 40.800 -0.007 0.000 0.975 143 D HN 0.352 nan 8.370 nan 0.000 0.413 144 L N 0.552 121.777 121.223 0.004 0.000 2.395 144 L HA 0.322 4.662 4.340 -0.000 0.000 0.269 144 L C -1.686 175.191 176.870 0.012 0.000 1.133 144 L CA -1.676 53.168 54.840 0.007 0.000 0.812 144 L CB 0.320 42.385 42.059 0.009 0.000 1.125 144 L HN -0.135 nan 8.230 nan 0.000 0.452 145 P HA 0.062 nan 4.420 nan 0.000 0.267 145 P C -2.440 174.886 177.300 0.045 0.000 1.200 145 P CA -0.744 62.375 63.100 0.032 0.000 0.772 145 P CB -0.115 31.604 31.700 0.031 0.000 0.855 146 P HA 0.263 nan 4.420 nan 0.000 0.276 146 P C -1.116 176.209 177.300 0.043 0.000 1.244 146 P CA -0.060 63.087 63.100 0.079 0.000 0.801 146 P CB 0.737 32.499 31.700 0.103 0.000 1.006 147 L N 0.763 122.010 121.223 0.040 0.000 2.362 147 L HA 0.631 4.971 4.340 -0.000 0.000 0.271 147 L C 0.611 177.491 176.870 0.017 0.000 1.002 147 L CA -0.907 53.943 54.840 0.017 0.000 0.818 147 L CB 1.962 44.022 42.059 0.001 0.000 1.298 147 L HN 0.213 nan 8.230 nan 0.000 0.420 148 R N 1.747 122.250 120.500 0.006 0.000 2.474 148 R HA 0.779 5.119 4.340 -0.000 0.000 0.295 148 R C -1.291 175.003 176.300 -0.010 0.000 0.980 148 R CA -0.650 55.452 56.100 0.003 0.000 0.934 148 R CB 1.921 32.222 30.300 0.002 0.000 1.101 148 R HN 0.549 nan 8.270 nan 0.000 0.469 149 L N 2.346 123.562 121.223 -0.013 0.000 2.408 149 L HA 0.416 4.756 4.340 -0.000 0.000 0.268 149 L C -0.069 176.773 176.870 -0.046 0.000 0.986 149 L CA -0.447 54.371 54.840 -0.037 0.000 0.820 149 L CB 1.565 43.592 42.059 -0.052 0.000 1.303 149 L HN 0.544 nan 8.230 nan 0.000 0.411 150 K N 2.594 122.955 120.400 -0.066 0.000 2.312 150 K HA 0.585 4.905 4.320 -0.000 0.000 0.230 150 K C 0.116 176.627 176.600 -0.150 0.000 1.048 150 K CA 0.543 56.782 56.287 -0.081 0.000 0.938 150 K CB 0.477 32.945 32.500 -0.054 0.000 1.139 150 K HN 0.914 nan 8.250 nan 0.000 0.461 151 G N 0.983 109.706 108.800 -0.127 0.000 2.650 151 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 151 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 151 G C -0.604 174.221 174.900 -0.125 0.000 1.205 151 G CA -0.222 44.788 45.100 -0.151 0.000 0.781 151 G HN 0.442 nan 8.290 nan 0.000 0.648 152 T N -0.932 113.561 114.554 -0.101 0.000 2.900 152 T HA 0.701 5.051 4.350 -0.000 0.000 0.295 152 T C 0.813 175.476 174.700 -0.062 0.000 1.044 152 T CA -0.541 61.517 62.100 -0.071 0.000 0.995 152 T CB 2.455 71.294 68.868 -0.048 0.000 1.072 152 T HN 0.584 nan 8.240 nan 0.000 0.473 153 K N 0.586 120.959 120.400 -0.044 0.000 2.305 153 K HA 0.065 4.385 4.320 -0.000 0.000 0.199 153 K C 0.342 176.932 176.600 -0.017 0.000 1.047 153 K CA 0.376 56.646 56.287 -0.028 0.000 0.976 153 K CB 0.038 32.529 32.500 -0.015 0.000 0.765 153 K HN 0.521 nan 8.250 nan 0.000 0.474 154 N N 1.856 120.546 118.700 -0.017 0.000 2.575 154 N HA -0.004 4.736 4.740 -0.000 0.000 0.275 154 N C -0.292 175.211 175.510 -0.012 0.000 1.202 154 N CA -0.086 52.958 53.050 -0.010 0.000 0.945 154 N CB 0.158 38.640 38.487 -0.009 0.000 1.247 154 N HN 0.042 nan 8.380 nan 0.000 0.510 155 L N 1.530 122.744 121.223 -0.015 0.000 2.455 155 L HA 0.060 4.400 4.340 -0.000 0.000 0.272 155 L C 0.437 177.306 176.870 -0.001 0.000 1.174 155 L CA 0.126 54.958 54.840 -0.015 0.000 0.869 155 L CB 0.344 42.390 42.059 -0.021 0.000 1.130 155 L HN 0.055 nan 8.230 nan 0.000 0.474 156 R N 5.414 125.915 120.500 0.002 0.000 2.457 156 R HA 0.421 4.761 4.340 -0.000 0.000 0.284 156 R C -2.259 174.060 176.300 0.032 0.000 1.024 156 R CA -1.706 54.405 56.100 0.018 0.000 1.025 156 R CB 0.214 30.525 30.300 0.017 0.000 1.063 156 R HN 0.472 nan 8.270 nan 0.000 0.493 157 P HA 0.044 nan 4.420 nan 0.000 0.271 157 P C -0.584 176.787 177.300 0.118 0.000 1.218 157 P CA -0.088 63.056 63.100 0.074 0.000 0.780 157 P CB 0.583 32.345 31.700 0.103 0.000 0.901 158 I N 2.443 123.056 120.570 0.071 0.000 2.437 158 I HA 0.269 4.439 4.170 -0.000 0.000 0.298 158 I C -0.344 175.806 176.117 0.054 0.000 0.984 158 I CA -0.588 60.766 61.300 0.089 0.000 1.214 158 I CB 0.720 38.736 38.000 0.027 0.000 1.365 158 I HN 0.362 nan 8.210 nan 0.000 0.469 159 H N 6.414 125.531 119.070 0.080 0.000 2.569 159 H HA 0.338 4.894 4.556 -0.000 0.000 0.247 159 H C -1.706 173.708 175.328 0.143 0.000 1.346 159 H CA -0.230 55.867 56.048 0.082 0.000 1.502 159 H CB 0.592 30.383 29.762 0.048 0.000 1.512 159 H HN 0.460 nan 8.280 nan 0.000 0.502 160 Y N 0.634 120.952 120.300 0.028 0.000 2.477 160 Y HA 0.352 4.902 4.550 -0.000 0.000 0.347 160 Y C -0.809 175.085 175.900 -0.009 0.000 0.981 160 Y CA -0.893 57.216 58.100 0.015 0.000 1.033 160 Y CB 1.662 40.125 38.460 0.005 0.000 1.245 160 Y HN 0.425 nan 8.280 nan 0.000 0.455 161 E N 4.836 124.678 120.200 -0.596 0.000 2.151 161 E HA 0.356 4.705 4.350 -0.000 0.000 0.275 161 E C -1.585 174.610 176.600 -0.675 0.000 0.936 161 E CA -0.899 55.226 56.400 -0.458 0.000 0.777 161 E CB 1.046 30.564 29.700 -0.303 0.000 1.108 161 E HN 0.653 nan 8.360 nan 0.000 0.401 162 L N 7.205 128.267 121.223 -0.268 0.000 2.410 162 L HA 0.134 4.474 4.340 -0.000 0.000 0.273 162 L C -1.438 175.368 176.870 -0.106 0.000 1.144 162 L CA -0.802 53.986 54.840 -0.087 0.000 0.863 162 L CB 0.766 42.837 42.059 0.020 0.000 1.140 162 L HN 0.615 nan 8.230 nan 0.000 0.463 163 P HA 0.044 nan 4.420 nan 0.000 0.231 163 P C 0.054 177.349 177.300 -0.008 0.000 1.168 163 P CA 0.667 63.747 63.100 -0.032 0.000 0.779 163 P CB 0.661 32.370 31.700 0.014 0.000 0.844 164 I N -0.856 119.721 120.570 0.011 0.000 2.730 164 I HA 0.544 4.714 4.170 -0.000 0.000 0.298 164 I C -0.748 175.373 176.117 0.008 0.000 1.089 164 I CA -1.530 59.776 61.300 0.011 0.000 1.041 164 I CB 2.297 40.310 38.000 0.023 0.000 1.235 164 I HN -0.252 nan 8.210 nan 0.000 0.423 165 A N 4.878 127.700 122.820 0.003 0.000 2.906 165 A HA 0.502 4.822 4.320 -0.000 0.000 0.289 165 A C -0.125 177.470 177.584 0.017 0.000 1.675 165 A CA 0.224 52.263 52.037 0.003 0.000 1.372 165 A CB -0.684 18.318 19.000 0.003 0.000 1.091 165 A HN 0.537 nan 8.150 nan 0.000 0.579 166 S N 1.089 116.802 115.700 0.022 0.000 2.561 166 S HA 0.575 5.045 4.470 -0.000 0.000 0.303 166 S C 0.897 175.518 174.600 0.034 0.000 1.110 166 S CA 0.069 58.288 58.200 0.031 0.000 1.034 166 S CB 1.408 64.628 63.200 0.033 0.000 1.010 166 S HN 1.051 nan 8.310 nan 0.000 0.482 167 A N 3.908 126.753 122.820 0.042 0.000 2.016 167 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 167 A C 1.829 179.446 177.584 0.054 0.000 1.162 167 A CA 0.861 52.927 52.037 0.049 0.000 0.662 167 A CB -0.400 18.641 19.000 0.070 0.000 0.812 167 A HN 0.867 nan 8.150 nan 0.000 0.450 168 Q N -0.438 119.393 119.800 0.052 0.000 2.123 168 Q HA -0.079 4.260 4.340 -0.000 0.000 0.199 168 Q C 2.005 178.031 176.000 0.043 0.000 0.966 168 Q CA 1.548 57.381 55.803 0.050 0.000 0.845 168 Q CB -0.200 28.558 28.738 0.034 0.000 0.907 168 Q HN 0.499 nan 8.270 nan 0.000 0.439 169 V N 1.147 121.082 119.914 0.036 0.000 2.453 169 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 169 V C 2.204 178.316 176.094 0.032 0.000 1.048 169 V CA 1.668 63.987 62.300 0.032 0.000 1.049 169 V CB -0.480 31.369 31.823 0.044 0.000 0.672 169 V HN 0.294 nan 8.190 nan 0.000 0.457 170 K N 0.330 120.748 120.400 0.031 0.000 2.057 170 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 170 K C 2.311 178.901 176.600 -0.016 0.000 1.050 170 K CA 1.823 58.119 56.287 0.014 0.000 0.935 170 K CB -0.138 32.368 32.500 0.009 0.000 0.715 170 K HN 0.451 nan 8.250 nan 0.000 0.439 171 S N 0.523 116.218 115.700 -0.009 0.000 2.387 171 S HA -0.060 4.410 4.470 -0.000 0.000 0.226 171 S C 1.984 176.573 174.600 -0.017 0.000 1.026 171 S CA 0.966 59.125 58.200 -0.067 0.000 0.972 171 S CB -0.084 63.130 63.200 0.023 0.000 0.814 171 S HN 0.499 nan 8.310 nan 0.000 0.477 172 A N 1.147 124.019 122.820 0.087 0.000 1.930 172 A HA 0.025 4.344 4.320 -0.000 0.000 0.217 172 A C 1.978 179.605 177.584 0.073 0.000 1.175 172 A CA 1.099 53.216 52.037 0.134 0.000 0.627 172 A CB -0.525 18.515 19.000 0.068 0.000 0.815 172 A HN 0.381 nan 8.150 nan 0.000 0.443 173 L N -1.171 120.060 121.223 0.014 0.000 2.217 173 L HA 0.032 4.372 4.340 -0.000 0.000 0.211 173 L C 2.571 179.427 176.870 -0.023 0.000 1.107 173 L CA 1.307 56.141 54.840 -0.009 0.000 0.783 173 L CB -0.423 41.629 42.059 -0.010 0.000 0.919 173 L HN 0.386 nan 8.230 nan 0.000 0.442 174 M N -2.439 117.117 119.600 -0.073 0.000 2.200 174 M HA -0.161 4.319 4.480 -0.000 0.000 0.265 174 M C 2.081 178.294 176.300 -0.145 0.000 1.066 174 M CA 1.696 56.909 55.300 -0.144 0.000 1.127 174 M CB -0.173 32.277 32.600 -0.251 0.000 1.379 174 M HN 0.137 nan 8.290 nan 0.000 0.420 175 F N -0.307 119.613 119.950 -0.049 0.000 2.234 175 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 175 F C 2.466 178.224 175.800 -0.070 0.000 1.087 175 F CA 0.825 58.769 58.000 -0.094 0.000 1.340 175 F CB -0.257 38.669 39.000 -0.124 0.000 1.031 175 F HN 0.146 nan 8.300 nan 0.000 0.500 176 A N -0.204 122.688 122.820 0.120 0.000 2.016 176 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 176 A C 2.253 179.853 177.584 0.027 0.000 1.162 176 A CA 1.201 53.267 52.037 0.048 0.000 0.662 176 A CB -0.891 18.118 19.000 0.015 0.000 0.812 176 A HN 0.279 nan 8.150 nan 0.000 0.450 177 A N -0.235 122.597 122.820 0.019 0.000 2.014 177 A HA 0.104 4.424 4.320 -0.000 0.000 0.218 177 A C 1.898 179.496 177.584 0.024 0.000 1.163 177 A CA 1.088 53.131 52.037 0.010 0.000 0.652 177 A CB -0.471 18.523 19.000 -0.010 0.000 0.808 177 A HN 0.452 nan 8.150 nan 0.000 0.449 178 L N -1.084 120.163 121.223 0.040 0.000 2.552 178 L HA -0.084 4.256 4.340 -0.000 0.000 0.227 178 L C 2.418 179.319 176.870 0.052 0.000 1.146 178 L CA 0.720 55.595 54.840 0.057 0.000 0.858 178 L CB -0.206 41.902 42.059 0.082 0.000 0.969 178 L HN 0.449 nan 8.230 nan 0.000 0.451 179 Q N -0.233 119.590 119.800 0.039 0.000 2.390 179 Q HA 0.256 4.596 4.340 -0.000 0.000 0.216 179 Q C 0.925 176.937 176.000 0.019 0.000 0.916 179 Q CA 0.164 55.983 55.803 0.027 0.000 0.911 179 Q CB 0.416 29.162 28.738 0.013 0.000 1.035 179 Q HN 0.430 nan 8.270 nan 0.000 0.541 180 A N 1.448 124.278 122.820 0.018 0.000 2.388 180 A HA 0.241 4.561 4.320 -0.000 0.000 0.257 180 A C -0.622 176.976 177.584 0.022 0.000 1.095 180 A CA -0.202 51.844 52.037 0.016 0.000 0.791 180 A CB 0.281 19.290 19.000 0.014 0.000 1.029 180 A HN 0.008 nan 8.150 nan 0.000 0.489 181 K N 1.531 121.944 120.400 0.021 0.000 2.273 181 K HA 0.555 4.875 4.320 -0.000 0.000 0.287 181 K C 0.476 177.093 176.600 0.029 0.000 1.089 181 K CA 1.034 57.336 56.287 0.024 0.000 0.909 181 K CB 0.750 33.263 32.500 0.020 0.000 1.123 181 K HN 1.284 nan 8.250 nan 0.000 0.473 182 G N 1.462 110.282 108.800 0.033 0.000 2.369 182 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.295 182 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.295 182 G C -1.618 173.308 174.900 0.043 0.000 1.298 182 G CA -1.065 44.060 45.100 0.042 0.000 0.940 182 G HN 0.477 nan 8.290 nan 0.000 0.536 183 E N -0.062 120.173 120.200 0.059 0.000 2.167 183 E HA 0.582 4.932 4.350 -0.000 0.000 0.284 183 E C -0.437 176.165 176.600 0.003 0.000 1.016 183 E CA -0.289 56.135 56.400 0.040 0.000 0.817 183 E CB 0.839 30.574 29.700 0.057 0.000 1.080 183 E HN 0.367 nan 8.360 nan 0.000 0.397 184 S N 2.836 118.496 115.700 -0.067 0.000 2.454 184 S HA 0.417 4.887 4.470 -0.000 0.000 0.306 184 S C -1.023 173.442 174.600 -0.225 0.000 1.100 184 S CA -0.685 57.419 58.200 -0.159 0.000 1.087 184 S CB 1.470 64.628 63.200 -0.069 0.000 1.019 184 S HN 0.355 nan 8.310 nan 0.000 0.480 185 V N 5.201 124.876 119.914 -0.398 0.000 2.378 185 V HA 0.517 4.637 4.120 -0.000 0.000 0.288 185 V C -0.726 175.279 176.094 -0.147 0.000 1.016 185 V CA -0.519 61.620 62.300 -0.267 0.000 0.840 185 V CB 1.138 32.777 31.823 -0.307 0.000 0.994 185 V HN 0.754 nan 8.190 nan 0.000 0.431 186 I N 6.178 126.702 120.570 -0.075 0.000 2.389 186 I HA 0.508 4.678 4.170 -0.000 0.000 0.288 186 I C -0.509 175.584 176.117 -0.039 0.000 0.999 186 I CA -0.179 61.106 61.300 -0.024 0.000 1.129 186 I CB 1.686 39.681 38.000 -0.008 0.000 1.288 186 I HN 0.434 nan 8.210 nan 0.000 0.444 187 I N 5.798 126.340 120.570 -0.047 0.000 2.354 187 I HA 0.313 4.483 4.170 -0.000 0.000 0.292 187 I C 0.122 176.183 176.117 -0.094 0.000 0.989 187 I CA -0.499 60.754 61.300 -0.079 0.000 1.188 187 I CB 1.092 39.038 38.000 -0.089 0.000 1.342 187 I HN 0.523 nan 8.210 nan 0.000 0.457 188 E N 5.167 125.294 120.200 -0.121 0.000 2.343 188 E HA 0.143 4.493 4.350 -0.000 0.000 0.269 188 E C 0.607 177.112 176.600 -0.158 0.000 1.047 188 E CA -0.541 55.777 56.400 -0.135 0.000 0.874 188 E CB 1.525 31.116 29.700 -0.182 0.000 1.033 188 E HN 0.431 nan 8.360 nan 0.000 0.409 189 K N 1.516 121.844 120.400 -0.121 0.000 2.062 189 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 189 K C 0.087 176.611 176.600 -0.127 0.000 1.051 189 K CA 1.341 57.562 56.287 -0.109 0.000 0.941 189 K CB 0.330 32.788 32.500 -0.071 0.000 0.719 189 K HN 0.434 nan 8.250 nan 0.000 0.440 190 E N -1.908 118.213 120.200 -0.132 0.000 2.433 190 E HA 0.204 4.554 4.350 -0.000 0.000 0.278 190 E C -1.668 174.846 176.600 -0.144 0.000 0.976 190 E CA -0.624 55.698 56.400 -0.131 0.000 0.793 190 E CB 0.994 30.678 29.700 -0.026 0.000 1.311 190 E HN -0.016 nan 8.360 nan 0.000 0.460 191 Y N 1.473 121.764 120.300 -0.016 0.000 2.730 191 Y HA 0.122 4.672 4.550 -0.000 0.000 0.354 191 Y C 0.842 176.731 175.900 -0.019 0.000 1.139 191 Y CA 0.234 58.322 58.100 -0.020 0.000 1.516 191 Y CB -0.139 38.308 38.460 -0.023 0.000 1.204 191 Y HN 0.311 nan 8.280 nan 0.000 0.520 192 T N 1.144 115.754 114.554 0.092 0.000 2.884 192 T HA 0.366 4.716 4.350 -0.000 0.000 0.277 192 T C 0.099 174.823 174.700 0.041 0.000 0.976 192 T CA -1.368 60.766 62.100 0.057 0.000 0.956 192 T CB 1.040 69.927 68.868 0.032 0.000 1.113 192 T HN 0.634 nan 8.240 nan 0.000 0.554 193 R N 1.518 122.033 120.500 0.025 0.000 2.522 193 R HA 0.059 4.399 4.340 -0.000 0.000 0.284 193 R C 0.116 176.388 176.300 -0.045 0.000 1.032 193 R CA -0.195 55.890 56.100 -0.026 0.000 1.049 193 R CB 0.233 30.563 30.300 0.051 0.000 0.956 193 R HN 0.824 nan 8.270 nan 0.000 0.422 194 N N 3.281 121.880 118.700 -0.168 0.000 2.297 194 N HA -0.082 4.658 4.740 -0.000 0.000 0.204 194 N C 0.363 175.853 175.510 -0.033 0.000 1.036 194 N CA 1.175 54.164 53.050 -0.102 0.000 0.991 194 N CB -0.671 37.757 38.487 -0.097 0.000 1.198 194 N HN 0.933 nan 8.380 nan 0.000 0.515 195 H N -1.691 117.395 119.070 0.027 0.000 5.124 195 H HA -0.218 4.338 4.556 -0.000 0.000 0.068 195 H C 1.220 176.561 175.328 0.022 0.000 0.548 195 H CA 2.558 58.624 56.048 0.030 0.000 1.054 195 H CB -1.698 28.100 29.762 0.059 0.000 0.498 195 H HN 0.390 nan 8.280 nan 0.000 0.739 196 T N 0.544 115.194 114.554 0.158 0.000 2.867 196 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 196 T C 1.593 176.313 174.700 0.033 0.000 1.057 196 T CA 1.729 63.902 62.100 0.122 0.000 1.136 196 T CB -0.132 68.742 68.868 0.010 0.000 0.874 196 T HN 0.443 nan 8.240 nan 0.000 0.466 197 E N 1.015 121.217 120.200 0.003 0.000 2.152 197 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 197 E C 1.956 178.533 176.600 -0.039 0.000 0.983 197 E CA 0.727 57.117 56.400 -0.017 0.000 0.818 197 E CB -0.083 29.608 29.700 -0.015 0.000 0.758 197 E HN 0.352 nan 8.360 nan 0.000 0.467 198 D N -0.206 120.173 120.400 -0.034 0.000 2.137 198 D HA -0.069 4.571 4.640 -0.000 0.000 0.202 198 D C 1.771 178.014 176.300 -0.096 0.000 0.970 198 D CA 0.822 54.798 54.000 -0.039 0.000 0.837 198 D CB -0.054 40.751 40.800 0.008 0.000 0.981 198 D HN 0.137 nan 8.370 nan 0.000 0.475 199 M N 0.250 119.735 119.600 -0.191 0.000 2.319 199 M HA -0.016 4.464 4.480 -0.000 0.000 0.265 199 M C 1.966 177.865 176.300 -0.668 0.000 1.068 199 M CA 0.524 55.562 55.300 -0.436 0.000 1.118 199 M CB 0.252 32.426 32.600 -0.711 0.000 1.395 199 M HN -0.033 nan 8.290 nan 0.000 0.435 200 L N -0.419 120.527 121.223 -0.463 0.000 2.027 200 L HA -0.260 4.080 4.340 -0.000 0.000 0.206 200 L C 2.184 179.019 176.870 -0.058 0.000 1.074 200 L CA 1.649 56.406 54.840 -0.138 0.000 0.745 200 L CB -0.322 41.769 42.059 0.053 0.000 0.898 200 L HN 0.380 nan 8.230 nan 0.000 0.433 201 Q N -1.017 118.731 119.800 -0.087 0.000 2.224 201 Q HA -0.278 4.061 4.340 -0.000 0.000 0.203 201 Q C 2.032 177.983 176.000 -0.083 0.000 0.970 201 Q CA 1.416 57.158 55.803 -0.101 0.000 0.865 201 Q CB 0.010 28.697 28.738 -0.086 0.000 0.922 201 Q HN 0.513 nan 8.270 nan 0.000 0.445 202 Q N -0.153 119.613 119.800 -0.057 0.000 2.079 202 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 202 Q C 0.959 176.913 176.000 -0.076 0.000 0.974 202 Q CA 1.147 56.915 55.803 -0.059 0.000 0.840 202 Q CB 0.088 28.808 28.738 -0.031 0.000 0.898 202 Q HN 0.308 nan 8.270 nan 0.000 0.430 203 F N -0.699 119.165 119.950 -0.143 0.000 2.811 203 F HA 0.257 4.784 4.527 -0.000 0.000 0.301 203 F C 1.322 177.120 175.800 -0.004 0.000 1.151 203 F CA 0.947 58.919 58.000 -0.047 0.000 1.412 203 F CB 0.827 39.837 39.000 0.017 0.000 1.113 203 F HN 0.324 nan 8.300 nan 0.000 0.579 204 G N -0.273 108.565 108.800 0.064 0.000 2.163 204 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.213 204 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.213 204 G C 0.649 175.535 174.900 -0.023 0.000 0.991 204 G CA -0.308 44.798 45.100 0.011 0.000 0.653 204 G HN 0.713 nan 8.290 nan 0.000 0.518 205 G N -0.938 107.854 108.800 -0.013 0.000 2.547 205 G HA2 0.621 4.581 3.960 -0.000 0.000 0.291 205 G HA3 0.621 4.581 3.960 -0.000 0.000 0.291 205 G C -0.715 174.041 174.900 -0.241 0.000 1.211 205 G CA -0.469 44.641 45.100 0.016 0.000 0.950 205 G HN 0.492 nan 8.290 nan 0.000 0.504 206 H N -1.457 117.651 119.070 0.063 0.000 2.679 206 H HA 0.610 5.166 4.556 -0.000 0.000 0.360 206 H C -0.072 175.276 175.328 0.033 0.000 1.105 206 H CA -0.562 55.511 56.048 0.041 0.000 1.196 206 H CB 2.090 31.873 29.762 0.035 0.000 1.636 206 H HN 0.653 nan 8.280 nan 0.000 0.531 207 L N -0.901 120.395 121.223 0.123 0.000 2.568 207 L HA 0.861 5.201 4.340 -0.000 0.000 0.257 207 L C -1.369 175.534 176.870 0.056 0.000 1.024 207 L CA -0.736 54.146 54.840 0.071 0.000 0.854 207 L CB 2.539 44.620 42.059 0.037 0.000 1.460 207 L HN 0.467 nan 8.230 nan 0.000 0.409 208 S N 1.031 116.753 115.700 0.036 0.000 2.502 208 S HA 0.784 5.254 4.470 -0.000 0.000 0.304 208 S C -0.617 173.994 174.600 0.018 0.000 1.097 208 S CA -0.575 57.642 58.200 0.028 0.000 1.045 208 S CB 1.779 64.994 63.200 0.025 0.000 1.019 208 S HN 0.787 nan 8.310 nan 0.000 0.481 209 V N 0.120 120.046 119.914 0.021 0.000 2.555 209 V HA 0.763 4.883 4.120 -0.000 0.000 0.302 209 V C -0.862 175.248 176.094 0.028 0.000 1.038 209 V CA -0.682 61.631 62.300 0.023 0.000 0.887 209 V CB 1.899 33.741 31.823 0.031 0.000 0.991 209 V HN 0.776 nan 8.190 nan 0.000 0.434 210 D N 3.196 123.613 120.400 0.028 0.000 2.945 210 D HA 0.401 5.041 4.640 -0.000 0.000 0.340 210 D C 0.607 176.932 176.300 0.042 0.000 1.240 210 D CA 0.520 54.538 54.000 0.031 0.000 0.749 210 D CB 0.323 41.133 40.800 0.017 0.000 1.217 210 D HN 1.541 nan 8.370 nan 0.000 0.514 211 G N 2.788 111.640 108.800 0.087 0.000 2.460 211 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.259 211 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.259 211 G C 0.858 175.758 174.900 -0.000 0.000 0.959 211 G CA 0.749 45.938 45.100 0.150 0.000 1.330 211 G HN 0.505 nan 8.290 nan 0.000 0.451 212 K N -1.520 118.824 120.400 -0.093 0.000 3.467 212 K HA -0.237 4.083 4.320 -0.000 0.000 0.375 212 K C 1.220 177.754 176.600 -0.111 0.000 0.589 212 K CA 2.043 58.189 56.287 -0.235 0.000 1.651 212 K CB -0.753 31.543 32.500 -0.340 0.000 1.135 212 K HN 0.696 nan 8.250 nan 0.000 0.459 213 K N 1.866 122.229 120.400 -0.061 0.000 2.338 213 K HA 0.277 4.597 4.320 -0.000 0.000 0.290 213 K C -0.811 175.773 176.600 -0.027 0.000 1.069 213 K CA 0.021 56.283 56.287 -0.043 0.000 0.941 213 K CB 0.282 32.766 32.500 -0.027 0.000 1.023 213 K HN 0.094 nan 8.250 nan 0.000 0.477 214 I N 3.538 124.087 120.570 -0.034 0.000 2.378 214 I HA 0.169 4.339 4.170 -0.000 0.000 0.291 214 I C -0.345 175.751 176.117 -0.035 0.000 0.992 214 I CA -0.522 60.763 61.300 -0.025 0.000 1.154 214 I CB 2.176 40.161 38.000 -0.025 0.000 1.315 214 I HN 0.442 nan 8.210 nan 0.000 0.448 215 T N 5.743 120.284 114.554 -0.022 0.000 2.770 215 T HA 0.556 4.906 4.350 -0.000 0.000 0.283 215 T C -0.358 174.337 174.700 -0.010 0.000 0.988 215 T CA -0.503 61.580 62.100 -0.027 0.000 0.957 215 T CB 1.367 70.226 68.868 -0.015 0.000 0.930 215 T HN 0.184 nan 8.240 nan 0.000 0.443 216 V N 4.128 124.031 119.914 -0.018 0.000 2.444 216 V HA 0.409 4.529 4.120 -0.000 0.000 0.294 216 V C -0.277 175.823 176.094 0.009 0.000 1.022 216 V CA -0.888 61.415 62.300 0.004 0.000 0.850 216 V CB 1.849 33.670 31.823 -0.004 0.000 0.992 216 V HN 0.783 nan 8.190 nan 0.000 0.426 217 Q N 1.888 121.707 119.800 0.031 0.000 2.256 217 Q HA 0.727 5.067 4.340 -0.000 0.000 0.257 217 Q C 0.163 176.189 176.000 0.043 0.000 0.936 217 Q CA -0.113 55.709 55.803 0.032 0.000 0.903 217 Q CB 2.157 30.913 28.738 0.031 0.000 1.263 217 Q HN 0.969 nan 8.270 nan 0.000 0.440 218 G N 2.430 111.253 108.800 0.037 0.000 2.574 218 G HA2 0.679 4.639 3.960 -0.000 0.000 0.299 218 G HA3 0.679 4.639 3.960 -0.000 0.000 0.299 218 G C -2.883 172.039 174.900 0.036 0.000 1.298 218 G CA -1.457 43.668 45.100 0.042 0.000 0.952 218 G HN 0.378 nan 8.290 nan 0.000 0.477 219 P HA 0.350 nan 4.420 nan 0.000 0.276 219 P C 0.057 177.395 177.300 0.062 0.000 1.261 219 P CA -0.361 62.767 63.100 0.048 0.000 0.800 219 P CB 1.721 33.447 31.700 0.043 0.000 1.066 220 Q N 0.959 120.807 119.800 0.080 0.000 2.389 220 Q HA 0.129 4.469 4.340 -0.000 0.000 0.201 220 Q C -0.546 175.522 176.000 0.114 0.000 0.956 220 Q CA 0.497 56.365 55.803 0.108 0.000 0.871 220 Q CB 0.160 28.976 28.738 0.130 0.000 0.990 220 Q HN 0.315 nan 8.270 nan 0.000 0.554 221 K N 0.435 120.901 120.400 0.109 0.000 6.703 221 K HA -0.138 4.182 4.320 -0.000 0.000 0.800 221 K C -1.693 174.992 176.600 0.143 0.000 2.378 221 K CA 0.148 56.501 56.287 0.110 0.000 1.724 221 K CB -0.786 31.768 32.500 0.090 0.000 2.267 221 K HN 0.215 nan 8.250 nan 0.000 0.261 222 L N 3.059 124.379 121.223 0.163 0.000 2.304 222 L HA 0.629 4.969 4.340 -0.000 0.000 0.268 222 L C 0.548 177.539 176.870 0.202 0.000 1.010 222 L CA -0.324 54.650 54.840 0.224 0.000 0.813 222 L CB 1.761 44.012 42.059 0.321 0.000 1.315 222 L HN 0.732 nan 8.230 nan 0.000 0.445 223 T N -0.145 114.536 114.554 0.211 0.000 2.863 223 T HA 0.611 4.961 4.350 -0.000 0.000 0.285 223 T C 0.126 174.880 174.700 0.089 0.000 1.009 223 T CA -0.685 61.487 62.100 0.121 0.000 0.989 223 T CB 1.670 70.567 68.868 0.048 0.000 1.004 223 T HN 0.764 nan 8.240 nan 0.000 0.455 224 G N 2.281 111.115 108.800 0.057 0.000 2.398 224 G HA2 0.445 4.405 3.960 -0.000 0.000 0.246 224 G HA3 0.445 4.405 3.960 -0.000 0.000 0.246 224 G C -0.494 174.276 174.900 -0.218 0.000 1.289 224 G CA -0.290 44.806 45.100 -0.007 0.000 0.869 224 G HN 0.479 nan 8.290 nan 0.000 0.543 225 Q N 0.337 119.879 119.800 -0.430 0.000 2.433 225 Q HA 0.325 4.665 4.340 -0.000 0.000 0.279 225 Q C -0.587 175.285 176.000 -0.214 0.000 1.105 225 Q CA -0.934 54.604 55.803 -0.442 0.000 0.815 225 Q CB 2.538 30.777 28.738 -0.831 0.000 1.403 225 Q HN 0.611 nan 8.270 nan 0.000 0.435 226 K N 1.644 121.971 120.400 -0.122 0.000 2.273 226 K HA 0.325 4.645 4.320 -0.000 0.000 0.287 226 K C -1.034 175.575 176.600 0.015 0.000 1.089 226 K CA -0.164 56.124 56.287 0.002 0.000 0.909 226 K CB 0.286 32.805 32.500 0.030 0.000 1.123 226 K HN 0.309 nan 8.250 nan 0.000 0.473 227 V N 5.141 125.101 119.914 0.076 0.000 2.370 227 V HA 0.205 4.325 4.120 -0.000 0.000 0.279 227 V C -0.152 176.036 176.094 0.156 0.000 1.029 227 V CA -0.915 61.439 62.300 0.090 0.000 0.870 227 V CB 1.529 33.425 31.823 0.123 0.000 0.984 227 V HN 0.404 nan 8.190 nan 0.000 0.451 228 V N 6.044 126.023 119.914 0.108 0.000 2.294 228 V HA 0.248 4.367 4.120 -0.000 0.000 0.272 228 V C 0.215 176.352 176.094 0.072 0.000 1.027 228 V CA -0.607 61.758 62.300 0.109 0.000 0.823 228 V CB 1.423 33.270 31.823 0.041 0.000 1.030 228 V HN 0.634 nan 8.190 nan 0.000 0.457 229 V N 8.764 128.723 119.914 0.075 0.000 2.485 229 V HA 0.125 4.244 4.120 -0.000 0.000 0.287 229 V C -1.830 174.281 176.094 0.029 0.000 1.022 229 V CA -0.917 61.407 62.300 0.041 0.000 1.067 229 V CB 0.791 32.628 31.823 0.023 0.000 0.967 229 V HN 0.708 nan 8.190 nan 0.000 0.479 230 P HA 0.236 nan 4.420 nan 0.000 0.274 230 P C 0.470 177.777 177.300 0.013 0.000 1.231 230 P CA 0.073 63.186 63.100 0.022 0.000 0.790 230 P CB 0.599 32.317 31.700 0.029 0.000 0.951 231 G N 0.724 109.537 108.800 0.022 0.000 2.631 231 G HA2 0.076 4.036 3.960 -0.000 0.000 0.271 231 G HA3 0.076 4.036 3.960 -0.000 0.000 0.271 231 G C -0.591 174.319 174.900 0.016 0.000 1.302 231 G CA -0.129 44.981 45.100 0.016 0.000 1.002 231 G HN 0.412 nan 8.290 nan 0.000 0.519 232 D N -0.573 119.834 120.400 0.012 0.000 2.313 232 D HA 0.230 4.870 4.640 -0.000 0.000 0.239 232 D C 1.598 177.935 176.300 0.061 0.000 1.142 232 D CA -0.501 53.514 54.000 0.025 0.000 0.847 232 D CB 1.220 42.024 40.800 0.008 0.000 1.082 232 D HN 0.139 nan 8.370 nan 0.000 0.480 233 I N 1.547 122.151 120.570 0.057 0.000 2.493 233 I HA -0.184 3.986 4.170 -0.000 0.000 0.254 233 I C 2.215 178.347 176.117 0.025 0.000 1.160 233 I CA 0.550 61.881 61.300 0.052 0.000 1.445 233 I CB -0.339 37.686 38.000 0.042 0.000 1.086 233 I HN 0.167 nan 8.210 nan 0.000 0.433 234 S N 0.410 116.128 115.700 0.029 0.000 2.382 234 S HA -0.131 4.339 4.470 -0.000 0.000 0.228 234 S C 2.212 176.850 174.600 0.063 0.000 1.027 234 S CA 1.706 59.906 58.200 -0.000 0.000 0.991 234 S CB -0.282 62.950 63.200 0.054 0.000 0.823 234 S HN 0.488 nan 8.310 nan 0.000 0.469 235 S N 1.294 117.100 115.700 0.177 0.000 2.414 235 S HA 0.177 4.647 4.470 -0.000 0.000 0.227 235 S C 2.095 176.920 174.600 0.375 0.000 1.022 235 S CA 0.663 59.079 58.200 0.360 0.000 0.958 235 S CB -0.207 63.083 63.200 0.150 0.000 0.797 235 S HN 0.571 nan 8.310 nan 0.000 0.493 236 A N 1.364 124.328 122.820 0.240 0.000 2.067 236 A HA 0.384 4.704 4.320 -0.000 0.000 0.217 236 A C 2.229 179.906 177.584 0.156 0.000 1.156 236 A CA 1.120 53.323 52.037 0.278 0.000 0.683 236 A CB -0.703 18.424 19.000 0.211 0.000 0.808 236 A HN 0.460 nan 8.150 nan 0.000 0.455 237 A N -0.731 122.078 122.820 -0.018 0.000 1.972 237 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 237 A C 1.848 179.294 177.584 -0.231 0.000 1.169 237 A CA 1.315 53.252 52.037 -0.166 0.000 0.635 237 A CB -0.775 18.034 19.000 -0.319 0.000 0.810 237 A HN 0.503 nan 8.150 nan 0.000 0.446 238 F N -2.004 117.854 119.950 -0.154 0.000 2.186 238 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 238 F C 2.107 177.778 175.800 -0.214 0.000 1.090 238 F CA 1.143 58.968 58.000 -0.290 0.000 1.307 238 F CB -0.409 38.269 39.000 -0.536 0.000 1.019 238 F HN 0.384 nan 8.300 nan 0.000 0.489 239 W N -0.428 121.031 121.300 0.265 0.000 2.523 239 W HA 0.079 4.739 4.660 -0.000 0.000 0.278 239 W C 2.003 178.570 176.519 0.079 0.000 1.236 239 W CA -0.084 57.351 57.345 0.150 0.000 1.306 239 W CB -0.431 29.114 29.460 0.142 0.000 1.101 239 W HN -0.087 nan 8.180 nan 0.000 0.577 240 L N -0.242 121.133 121.223 0.253 0.000 2.046 240 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 240 L C 2.212 179.135 176.870 0.088 0.000 1.077 240 L CA 0.912 55.834 54.840 0.136 0.000 0.747 240 L CB -0.965 41.138 42.059 0.075 0.000 0.896 240 L HN -0.119 nan 8.230 nan 0.000 0.432 241 V N -0.345 119.606 119.914 0.061 0.000 2.379 241 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 241 V C 2.687 178.823 176.094 0.071 0.000 1.044 241 V CA 1.601 63.922 62.300 0.035 0.000 1.036 241 V CB -0.727 31.088 31.823 -0.012 0.000 0.664 241 V HN 0.457 nan 8.190 nan 0.000 0.453 242 A N 0.598 123.495 122.820 0.127 0.000 1.940 242 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 242 A C 2.376 180.027 177.584 0.111 0.000 1.176 242 A CA 1.993 54.120 52.037 0.150 0.000 0.631 242 A CB -1.135 18.030 19.000 0.276 0.000 0.814 242 A HN 0.540 nan 8.150 nan 0.000 0.446 243 G N -0.386 108.481 108.800 0.112 0.000 2.408 243 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.217 243 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.217 243 G C 1.463 176.379 174.900 0.027 0.000 1.150 243 G CA 1.013 46.144 45.100 0.051 0.000 0.776 243 G HN 0.458 nan 8.290 nan 0.000 0.542 244 L N -0.710 120.535 121.223 0.036 0.000 2.341 244 L HA 0.274 4.614 4.340 -0.000 0.000 0.214 244 L C 2.402 179.283 176.870 0.019 0.000 1.115 244 L CA 0.159 55.012 54.840 0.022 0.000 0.820 244 L CB 0.017 42.088 42.059 0.020 0.000 0.944 244 L HN 0.119 nan 8.230 nan 0.000 0.452 245 I N -0.523 120.062 120.570 0.026 0.000 2.927 245 I HA 0.127 4.297 4.170 -0.000 0.000 0.268 245 I C 1.387 177.515 176.117 0.019 0.000 1.153 245 I CA 0.115 61.428 61.300 0.022 0.000 1.459 245 I CB 0.169 38.184 38.000 0.025 0.000 1.149 245 I HN 0.028 nan 8.210 nan 0.000 0.443 246 A N 2.626 125.460 122.820 0.022 0.000 2.401 246 A HA 0.448 4.768 4.320 -0.000 0.000 0.259 246 A C -2.343 175.243 177.584 0.004 0.000 1.103 246 A CA -1.190 50.855 52.037 0.012 0.000 0.789 246 A CB -0.606 18.402 19.000 0.013 0.000 1.035 246 A HN 0.006 nan 8.150 nan 0.000 0.491 247 P HA 0.049 nan 4.420 nan 0.000 0.271 247 P C -0.706 176.612 177.300 0.029 0.000 1.218 247 P CA -0.161 62.948 63.100 0.016 0.000 0.780 247 P CB 0.295 32.004 31.700 0.016 0.000 0.901 248 N N -0.863 117.864 118.700 0.046 0.000 2.688 248 N HA -0.128 4.612 4.740 -0.000 0.000 0.258 248 N C -0.827 174.704 175.510 0.035 0.000 1.016 248 N CA 0.973 54.077 53.050 0.089 0.000 0.747 248 N CB -1.818 36.761 38.487 0.153 0.000 0.895 248 N HN 0.359 nan 8.380 nan 0.000 0.543 249 S N 0.371 116.022 115.700 -0.082 0.000 2.521 249 S HA 0.618 5.088 4.470 -0.000 0.000 0.295 249 S C 0.095 174.543 174.600 -0.253 0.000 1.098 249 S CA -0.842 57.178 58.200 -0.300 0.000 0.999 249 S CB 3.132 66.237 63.200 -0.159 0.000 1.034 249 S HN 0.427 nan 8.310 nan 0.000 0.483 250 R N 2.127 122.373 120.500 -0.424 0.000 2.510 250 R HA 0.573 4.913 4.340 -0.000 0.000 0.294 250 R C -2.218 174.027 176.300 -0.092 0.000 1.056 250 R CA -0.590 55.440 56.100 -0.117 0.000 0.918 250 R CB 0.640 30.983 30.300 0.073 0.000 1.187 250 R HN 0.478 nan 8.270 nan 0.000 0.437 251 L N 4.703 125.900 121.223 -0.043 0.000 2.349 251 L HA 0.468 4.808 4.340 -0.000 0.000 0.278 251 L C -0.889 175.980 176.870 -0.001 0.000 0.996 251 L CA -0.647 54.173 54.840 -0.034 0.000 0.825 251 L CB 2.199 44.248 42.059 -0.016 0.000 1.243 251 L HN 0.344 nan 8.230 nan 0.000 0.412 252 V N 5.532 125.440 119.914 -0.010 0.000 2.394 252 V HA 0.481 4.601 4.120 -0.000 0.000 0.282 252 V C -0.202 175.893 176.094 0.003 0.000 1.031 252 V CA -0.524 61.779 62.300 0.004 0.000 0.881 252 V CB 1.538 33.363 31.823 0.003 0.000 0.982 252 V HN 0.467 nan 8.190 nan 0.000 0.451 253 L N 5.627 126.869 121.223 0.031 0.000 2.342 253 L HA 0.528 4.868 4.340 -0.000 0.000 0.276 253 L C -0.138 176.759 176.870 0.046 0.000 0.997 253 L CA -0.332 54.539 54.840 0.052 0.000 0.838 253 L CB 1.517 43.640 42.059 0.107 0.000 1.224 253 L HN 0.603 nan 8.230 nan 0.000 0.416 254 Q N 1.740 121.562 119.800 0.036 0.000 2.230 254 Q HA 0.262 4.602 4.340 -0.000 0.000 0.248 254 Q C -0.030 175.991 176.000 0.035 0.000 0.915 254 Q CA -0.799 55.021 55.803 0.028 0.000 0.900 254 Q CB 1.183 29.930 28.738 0.015 0.000 1.229 254 Q HN 0.513 nan 8.270 nan 0.000 0.439 255 N N 0.566 119.283 118.700 0.028 0.000 2.641 255 N HA -0.188 4.551 4.740 -0.000 0.000 0.267 255 N C -0.489 175.046 175.510 0.041 0.000 1.087 255 N CA 0.269 53.337 53.050 0.029 0.000 0.731 255 N CB -0.659 37.842 38.487 0.023 0.000 0.886 255 N HN 0.464 nan 8.380 nan 0.000 0.547 256 V N 0.184 120.126 119.914 0.047 0.000 2.436 256 V HA 0.437 4.557 4.120 -0.000 0.000 0.240 256 V C 1.493 177.618 176.094 0.052 0.000 1.040 256 V CA 1.209 63.545 62.300 0.059 0.000 1.052 256 V CB -0.516 31.348 31.823 0.067 0.000 0.707 256 V HN 0.995 nan 8.190 nan 0.000 0.469 257 G N 1.297 110.125 108.800 0.046 0.000 3.444 257 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.685 257 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.685 257 G C -0.706 174.225 174.900 0.053 0.000 1.145 257 G CA -0.277 44.854 45.100 0.052 0.000 0.973 257 G HN 0.848 nan 8.290 nan 0.000 0.525 258 I N -0.257 120.340 120.570 0.045 0.000 2.934 258 I HA 0.441 4.611 4.170 -0.000 0.000 0.312 258 I C 0.020 176.153 176.117 0.026 0.000 1.342 258 I CA -1.103 60.216 61.300 0.031 0.000 0.946 258 I CB 0.937 38.949 38.000 0.019 0.000 2.034 258 I HN 0.319 nan 8.210 nan 0.000 0.604 259 N N 2.647 121.371 118.700 0.041 0.000 2.514 259 N HA 0.053 4.793 4.740 -0.000 0.000 0.277 259 N C 1.540 177.034 175.510 -0.026 0.000 1.126 259 N CA -0.171 52.883 53.050 0.008 0.000 0.978 259 N CB 1.054 39.552 38.487 0.019 0.000 1.106 259 N HN 0.551 nan 8.380 nan 0.000 0.461 260 E N 1.465 121.635 120.200 -0.050 0.000 2.160 260 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 260 E C 0.788 177.349 176.600 -0.065 0.000 0.991 260 E CA 1.770 58.136 56.400 -0.057 0.000 0.810 260 E CB -0.675 28.985 29.700 -0.066 0.000 0.742 260 E HN 0.738 nan 8.360 nan 0.000 0.466 261 T N -2.137 112.369 114.554 -0.080 0.000 3.129 261 T HA 0.223 4.573 4.350 -0.000 0.000 0.251 261 T C 1.521 176.198 174.700 -0.039 0.000 1.117 261 T CA -0.240 61.821 62.100 -0.066 0.000 1.034 261 T CB 0.250 69.074 68.868 -0.074 0.000 0.968 261 T HN -0.009 nan 8.240 nan 0.000 0.526 262 R N 0.957 121.441 120.500 -0.027 0.000 2.469 262 R HA 0.141 4.481 4.340 -0.000 0.000 0.250 262 R C 0.750 177.054 176.300 0.006 0.000 0.909 262 R CA 0.590 56.697 56.100 0.012 0.000 1.050 262 R CB 0.157 30.496 30.300 0.066 0.000 1.256 262 R HN 0.557 nan 8.270 nan 0.000 0.550 263 T N -1.084 113.465 114.554 -0.007 0.000 3.783 263 T HA 0.271 4.621 4.350 -0.000 0.000 0.262 263 T C 1.248 175.936 174.700 -0.020 0.000 1.381 263 T CA -0.076 62.019 62.100 -0.009 0.000 1.155 263 T CB 0.796 69.659 68.868 -0.008 0.000 1.256 263 T HN 0.143 nan 8.240 nan 0.000 0.807 264 G N 1.813 110.599 108.800 -0.023 0.000 2.426 264 G HA2 0.028 3.988 3.960 -0.000 0.000 0.214 264 G HA3 0.028 3.988 3.960 -0.000 0.000 0.214 264 G C 1.181 176.062 174.900 -0.032 0.000 1.156 264 G CA 0.253 45.336 45.100 -0.028 0.000 0.802 264 G HN 0.680 nan 8.290 nan 0.000 0.534 265 I N 0.489 121.038 120.570 -0.036 0.000 2.252 265 I HA -0.025 4.145 4.170 -0.000 0.000 0.245 265 I C 2.486 178.587 176.117 -0.027 0.000 1.102 265 I CA 0.859 62.135 61.300 -0.040 0.000 1.385 265 I CB -0.430 37.538 38.000 -0.055 0.000 1.064 265 I HN 0.033 nan 8.210 nan 0.000 0.414 266 I N 1.228 121.787 120.570 -0.018 0.000 2.286 266 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 266 I C 1.990 178.098 176.117 -0.014 0.000 1.115 266 I CA 1.513 62.807 61.300 -0.011 0.000 1.392 266 I CB -0.513 37.483 38.000 -0.006 0.000 1.065 266 I HN 0.223 nan 8.210 nan 0.000 0.418 267 D N 0.059 120.448 120.400 -0.018 0.000 2.178 267 D HA -0.112 4.528 4.640 -0.000 0.000 0.202 267 D C 2.328 178.617 176.300 -0.019 0.000 0.974 267 D CA 1.018 55.006 54.000 -0.020 0.000 0.841 267 D CB -0.147 40.638 40.800 -0.024 0.000 0.953 267 D HN 0.149 nan 8.370 nan 0.000 0.478 268 V N 0.682 120.584 119.914 -0.021 0.000 2.379 268 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 268 V C 2.435 178.519 176.094 -0.017 0.000 1.044 268 V CA 0.863 63.151 62.300 -0.021 0.000 1.036 268 V CB -0.254 31.553 31.823 -0.027 0.000 0.664 268 V HN 0.136 nan 8.190 nan 0.000 0.453 269 I N -0.129 120.431 120.570 -0.016 0.000 2.226 269 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 269 I C 2.711 178.825 176.117 -0.007 0.000 1.100 269 I CA 1.638 62.932 61.300 -0.010 0.000 1.374 269 I CB -0.287 37.709 38.000 -0.006 0.000 1.057 269 I HN 0.180 nan 8.210 nan 0.000 0.413 270 R N 0.934 121.430 120.500 -0.007 0.000 2.092 270 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 270 R C 2.206 178.502 176.300 -0.007 0.000 1.119 270 R CA 1.550 57.647 56.100 -0.006 0.000 0.970 270 R CB -0.339 29.956 30.300 -0.007 0.000 0.864 270 R HN 0.369 nan 8.270 nan 0.000 0.440 271 A N -0.386 122.428 122.820 -0.009 0.000 2.014 271 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 271 A C 2.013 179.592 177.584 -0.008 0.000 1.163 271 A CA 1.100 53.132 52.037 -0.009 0.000 0.652 271 A CB -0.275 18.718 19.000 -0.012 0.000 0.808 271 A HN 0.338 nan 8.150 nan 0.000 0.449 272 M N -1.695 117.900 119.600 -0.008 0.000 2.419 272 M HA 0.126 4.606 4.480 -0.000 0.000 0.264 272 M C 1.331 177.629 176.300 -0.003 0.000 1.082 272 M CA 1.110 56.406 55.300 -0.006 0.000 1.119 272 M CB 0.264 32.860 32.600 -0.008 0.000 1.398 272 M HN 0.623 nan 8.290 nan 0.000 0.453 273 G N 0.465 109.264 108.800 -0.003 0.000 2.131 273 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.201 273 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.201 273 G C 0.145 175.046 174.900 0.002 0.000 1.000 273 G CA -0.344 44.756 45.100 -0.000 0.000 0.680 273 G HN 0.630 nan 8.290 nan 0.000 0.514 274 G N -0.060 108.742 108.800 0.002 0.000 2.415 274 G HA2 0.510 4.470 3.960 -0.000 0.000 0.269 274 G HA3 0.510 4.470 3.960 -0.000 0.000 0.269 274 G C 0.180 175.084 174.900 0.007 0.000 1.209 274 G CA -0.579 44.524 45.100 0.005 0.000 0.835 274 G HN 0.354 nan 8.290 nan 0.000 0.534 275 K N 1.171 121.576 120.400 0.009 0.000 2.228 275 K HA 0.169 4.489 4.320 -0.000 0.000 0.284 275 K C -0.737 175.871 176.600 0.013 0.000 1.088 275 K CA -0.230 56.063 56.287 0.011 0.000 0.941 275 K CB 0.645 33.153 32.500 0.012 0.000 1.158 275 K HN 0.245 nan 8.250 nan 0.000 0.438 276 L N 3.003 124.233 121.223 0.012 0.000 2.342 276 L HA 0.269 4.609 4.340 -0.000 0.000 0.276 276 L C -0.814 176.064 176.870 0.013 0.000 0.997 276 L CA -0.197 54.652 54.840 0.015 0.000 0.838 276 L CB 1.329 43.396 42.059 0.014 0.000 1.224 276 L HN 0.428 nan 8.230 nan 0.000 0.416 277 E N 4.939 125.148 120.200 0.016 0.000 2.231 277 E HA 0.460 4.810 4.350 -0.000 0.000 0.277 277 E C -1.055 175.553 176.600 0.014 0.000 0.999 277 E CA -0.528 55.880 56.400 0.013 0.000 0.827 277 E CB 2.731 32.439 29.700 0.014 0.000 1.101 277 E HN 0.618 nan 8.360 nan 0.000 0.393 278 I N 2.205 122.781 120.570 0.011 0.000 2.439 278 I HA 0.292 4.462 4.170 -0.000 0.000 0.285 278 I C -0.965 175.157 176.117 0.008 0.000 1.021 278 I CA -0.009 61.298 61.300 0.011 0.000 1.091 278 I CB 1.191 39.197 38.000 0.009 0.000 1.242 278 I HN 0.562 nan 8.210 nan 0.000 0.439 279 T N 1.552 116.111 114.554 0.008 0.000 2.865 279 T HA 0.565 4.915 4.350 -0.000 0.000 0.294 279 T C -0.341 174.362 174.700 0.004 0.000 1.119 279 T CA -0.692 61.411 62.100 0.005 0.000 1.007 279 T CB 1.615 70.486 68.868 0.005 0.000 1.225 279 T HN 0.514 nan 8.240 nan 0.000 0.515 280 E N -0.189 120.011 120.200 0.001 0.000 2.240 280 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 280 E C -0.969 175.631 176.600 -0.000 0.000 1.385 280 E CA 0.284 56.683 56.400 -0.002 0.000 0.686 280 E CB -1.852 27.846 29.700 -0.002 0.000 1.125 280 E HN 0.628 nan 8.360 nan 0.000 0.359 281 I N 1.137 121.706 120.570 -0.001 0.000 2.337 281 I HA 0.112 4.282 4.170 -0.000 0.000 0.291 281 I C 0.623 176.738 176.117 -0.004 0.000 1.046 281 I CA -0.052 61.248 61.300 -0.000 0.000 1.324 281 I CB 0.722 38.721 38.000 -0.001 0.000 1.409 281 I HN 0.090 nan 8.210 nan 0.000 0.494 282 D N 9.477 129.876 120.400 -0.002 0.000 2.396 282 D HA 0.212 4.852 4.640 -0.000 0.000 0.225 282 D C -1.666 174.632 176.300 -0.004 0.000 1.121 282 D CA -1.919 52.078 54.000 -0.006 0.000 0.853 282 D CB 1.872 42.668 40.800 -0.006 0.000 1.043 282 D HN 0.249 nan 8.370 nan 0.000 0.500 283 P HA -0.073 nan 4.420 nan 0.000 0.225 283 P C 1.471 178.764 177.300 -0.011 0.000 1.156 283 P CA 0.248 63.343 63.100 -0.009 0.000 0.787 283 P CB 0.734 32.427 31.700 -0.011 0.000 0.802 284 V N 0.915 120.820 119.914 -0.015 0.000 2.302 284 V HA -0.053 4.067 4.120 -0.000 0.000 0.243 284 V C 2.609 178.697 176.094 -0.010 0.000 1.036 284 V CA 2.188 64.476 62.300 -0.021 0.000 1.020 284 V CB -1.620 30.183 31.823 -0.034 0.000 0.657 284 V HN 0.080 nan 8.190 nan 0.000 0.453 285 A N 0.183 123.002 122.820 -0.002 0.000 2.251 285 A HA 0.087 4.407 4.320 -0.000 0.000 0.209 285 A C 1.214 178.814 177.584 0.028 0.000 1.187 285 A CA 0.478 52.524 52.037 0.014 0.000 0.823 285 A CB -0.278 18.730 19.000 0.013 0.000 0.846 285 A HN 0.637 nan 8.150 nan 0.000 0.486 286 K N 0.634 121.046 120.400 0.020 0.000 3.689 286 K HA -0.174 4.146 4.320 -0.000 0.000 0.276 286 K C -0.675 175.944 176.600 0.032 0.000 0.932 286 K CA 1.218 57.519 56.287 0.025 0.000 0.758 286 K CB -2.619 29.899 32.500 0.031 0.000 1.500 286 K HN 1.071 nan 8.250 nan 0.000 0.448 287 S N -0.471 115.243 115.700 0.022 0.000 2.541 287 S HA 0.905 5.375 4.470 -0.000 0.000 0.280 287 S C -0.558 174.052 174.600 0.017 0.000 1.112 287 S CA -0.372 57.842 58.200 0.024 0.000 0.925 287 S CB 2.570 65.785 63.200 0.024 0.000 1.067 287 S HN 1.206 nan 8.310 nan 0.000 0.479 288 A N 1.461 124.294 122.820 0.021 0.000 2.587 288 A HA 0.812 5.132 4.320 -0.000 0.000 0.293 288 A C -0.377 177.220 177.584 0.023 0.000 1.087 288 A CA -0.883 51.165 52.037 0.017 0.000 0.692 288 A CB 1.191 20.200 19.000 0.015 0.000 1.291 288 A HN 0.800 nan 8.150 nan 0.000 0.407 289 T N 1.989 116.555 114.554 0.019 0.000 2.794 289 T HA 0.506 4.856 4.350 -0.000 0.000 0.296 289 T C -0.306 174.409 174.700 0.026 0.000 0.949 289 T CA 0.361 62.475 62.100 0.022 0.000 1.101 289 T CB -0.324 68.553 68.868 0.015 0.000 0.905 289 T HN 0.386 nan 8.240 nan 0.000 0.516 290 L N 4.690 125.935 121.223 0.036 0.000 2.333 290 L HA 0.606 4.946 4.340 -0.000 0.000 0.280 290 L C -0.560 176.335 176.870 0.041 0.000 1.004 290 L CA -0.848 54.016 54.840 0.038 0.000 0.820 290 L CB 1.320 43.408 42.059 0.048 0.000 1.247 290 L HN 0.527 nan 8.230 nan 0.000 0.416 291 I N 3.970 124.559 120.570 0.033 0.000 2.433 291 I HA 0.498 4.667 4.170 -0.000 0.000 0.292 291 I C -0.236 175.899 176.117 0.031 0.000 1.001 291 I CA -0.840 60.478 61.300 0.031 0.000 1.119 291 I CB 2.085 40.099 38.000 0.023 0.000 1.289 291 I HN 0.247 nan 8.210 nan 0.000 0.438 292 V N 1.700 121.634 119.914 0.033 0.000 2.715 292 V HA 0.685 4.805 4.120 -0.000 0.000 0.310 292 V C -0.501 175.604 176.094 0.017 0.000 1.054 292 V CA -0.599 61.719 62.300 0.030 0.000 0.928 292 V CB 1.834 33.684 31.823 0.045 0.000 1.007 292 V HN 0.741 nan 8.190 nan 0.000 0.437 293 E N 1.003 121.212 120.200 0.015 0.000 2.336 293 E HA 0.488 4.838 4.350 -0.000 0.000 0.267 293 E C -0.872 175.733 176.600 0.009 0.000 0.906 293 E CA -0.930 55.475 56.400 0.009 0.000 0.781 293 E CB 2.343 32.053 29.700 0.017 0.000 1.261 293 E HN 0.773 nan 8.360 nan 0.000 0.436 294 S N 1.388 117.091 115.700 0.005 0.000 2.506 294 S HA 0.156 4.626 4.470 -0.000 0.000 0.291 294 S C -0.537 174.070 174.600 0.013 0.000 1.230 294 S CA -0.047 58.158 58.200 0.008 0.000 1.107 294 S CB 0.057 63.263 63.200 0.010 0.000 0.942 294 S HN 0.333 nan 8.310 nan 0.000 0.502 295 S N 2.166 117.873 115.700 0.012 0.000 2.570 295 S HA 0.389 4.859 4.470 -0.000 0.000 0.286 295 S C -1.143 173.463 174.600 0.009 0.000 1.099 295 S CA -1.153 57.054 58.200 0.011 0.000 0.913 295 S CB 1.255 64.461 63.200 0.010 0.000 1.085 295 S HN 0.607 nan 8.310 nan 0.000 0.480 296 D N 1.969 122.374 120.400 0.008 0.000 2.295 296 D HA 0.416 5.056 4.640 -0.000 0.000 0.248 296 D C -0.564 175.739 176.300 0.004 0.000 1.154 296 D CA -0.037 53.967 54.000 0.006 0.000 0.857 296 D CB 0.972 41.776 40.800 0.007 0.000 1.117 296 D HN 0.242 nan 8.370 nan 0.000 0.468 297 L N 2.120 123.345 121.223 0.003 0.000 2.334 297 L HA 0.463 4.803 4.340 -0.000 0.000 0.270 297 L C 0.599 177.469 176.870 -0.001 0.000 1.018 297 L CA -0.902 53.939 54.840 0.001 0.000 0.811 297 L CB 1.284 43.343 42.059 -0.001 0.000 1.271 297 L HN 0.003 nan 8.230 nan 0.000 0.443 298 K N 0.225 120.624 120.400 -0.002 0.000 2.340 298 K HA 0.429 4.749 4.320 -0.000 0.000 0.244 298 K C 0.701 177.298 176.600 -0.005 0.000 0.973 298 K CA -0.405 55.881 56.287 -0.003 0.000 0.828 298 K CB 1.697 34.196 32.500 -0.002 0.000 1.226 298 K HN 0.673 nan 8.250 nan 0.000 0.437 299 G N 0.861 109.658 108.800 -0.004 0.000 2.812 299 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 299 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 299 G C 0.232 175.128 174.900 -0.008 0.000 1.287 299 G CA 1.777 46.873 45.100 -0.006 0.000 0.796 299 G HN 0.698 nan 8.290 nan 0.000 0.649 300 T N -1.413 113.137 114.554 -0.007 0.000 0.541 300 T HA -0.175 4.175 4.350 -0.000 0.000 0.774 300 T C -0.505 174.189 174.700 -0.010 0.000 0.992 300 T CA 0.856 62.950 62.100 -0.009 0.000 4.077 300 T CB -0.438 68.424 68.868 -0.010 0.000 2.303 300 T HN 0.733 nan 8.240 nan 0.000 0.398 301 E N 1.840 122.034 120.200 -0.010 0.000 2.158 301 E HA 0.599 4.949 4.350 -0.000 0.000 0.271 301 E C -0.697 175.895 176.600 -0.012 0.000 0.911 301 E CA -0.767 55.627 56.400 -0.010 0.000 0.767 301 E CB 0.741 30.436 29.700 -0.009 0.000 1.120 301 E HN 0.499 nan 8.360 nan 0.000 0.405 302 I N 5.755 126.317 120.570 -0.013 0.000 2.390 302 I HA 0.338 4.508 4.170 -0.000 0.000 0.283 302 I C -0.453 175.656 176.117 -0.013 0.000 1.016 302 I CA -0.464 60.827 61.300 -0.015 0.000 1.151 302 I CB 0.796 38.785 38.000 -0.018 0.000 1.293 302 I HN 0.595 nan 8.210 nan 0.000 0.458 303 C N 2.801 122.094 119.300 -0.012 0.000 3.321 303 C HA 0.984 5.444 4.460 -0.000 0.000 0.329 303 C C 0.593 175.578 174.990 -0.008 0.000 1.394 303 C CA 0.035 59.048 59.018 -0.009 0.000 1.291 303 C CB 1.004 28.740 27.740 -0.007 0.000 1.606 303 C HN 1.260 nan 8.230 nan 0.000 0.463 304 G N 0.933 109.731 108.800 -0.004 0.000 2.509 304 G HA2 0.240 4.200 3.960 -0.000 0.000 0.256 304 G HA3 0.240 4.200 3.960 -0.000 0.000 0.256 304 G C 0.932 175.833 174.900 0.001 0.000 1.152 304 G CA 1.140 46.240 45.100 -0.001 0.000 0.951 304 G HN 2.513 nan 8.290 nan 0.000 0.559 305 A N -0.743 122.075 122.820 -0.004 0.000 2.209 305 A HA 0.432 4.752 4.320 -0.000 0.000 0.212 305 A C 2.332 179.904 177.584 -0.020 0.000 1.158 305 A CA 2.177 54.210 52.037 -0.006 0.000 0.742 305 A CB -0.189 18.793 19.000 -0.029 0.000 0.790 305 A HN 1.500 nan 8.150 nan 0.000 0.472 306 L N -0.300 120.910 121.223 -0.021 0.000 2.217 306 L HA -0.043 4.297 4.340 -0.000 0.000 0.211 306 L C 1.944 178.804 176.870 -0.017 0.000 1.107 306 L CA 1.213 56.039 54.840 -0.024 0.000 0.783 306 L CB -0.349 41.696 42.059 -0.024 0.000 0.919 306 L HN 0.303 nan 8.230 nan 0.000 0.442 307 I N 0.823 121.387 120.570 -0.009 0.000 2.099 307 I HA -0.173 3.997 4.170 -0.000 0.000 0.239 307 I C -0.205 175.911 176.117 -0.001 0.000 1.066 307 I CA 1.423 62.719 61.300 -0.006 0.000 1.324 307 I CB -2.780 35.219 38.000 -0.002 0.000 1.037 307 I HN 0.222 nan 8.210 nan 0.000 0.401 308 P HA -0.083 nan 4.420 nan 0.000 0.231 308 P C 1.345 178.652 177.300 0.011 0.000 1.158 308 P CA 1.189 64.300 63.100 0.017 0.000 0.763 308 P CB -0.132 31.590 31.700 0.036 0.000 0.805 309 R N -0.806 119.692 120.500 -0.002 0.000 2.300 309 R HA 0.199 4.539 4.340 -0.000 0.000 0.199 309 R C 0.880 177.172 176.300 -0.012 0.000 0.920 309 R CA 0.548 56.642 56.100 -0.010 0.000 1.046 309 R CB -0.088 30.197 30.300 -0.024 0.000 0.984 309 R HN 0.238 nan 8.270 nan 0.000 0.493 310 L N -3.087 118.127 121.223 -0.015 0.000 3.429 310 L HA 0.335 4.675 4.340 -0.000 0.000 0.311 310 L C 1.036 177.889 176.870 -0.029 0.000 1.274 310 L CA -0.131 54.693 54.840 -0.028 0.000 1.037 310 L CB -0.172 41.865 42.059 -0.037 0.000 1.433 310 L HN -0.105 nan 8.230 nan 0.000 0.614 311 I N -2.530 118.032 120.570 -0.014 0.000 2.264 311 I HA -0.119 4.051 4.170 -0.000 0.000 0.248 311 I C 1.476 177.583 176.117 -0.017 0.000 1.111 311 I CA 1.531 62.825 61.300 -0.010 0.000 1.382 311 I CB -0.548 37.455 38.000 0.004 0.000 1.060 311 I HN 0.083 nan 8.210 nan 0.000 0.418 312 D N 0.831 121.221 120.400 -0.016 0.000 2.277 312 D HA -0.084 4.556 4.640 -0.000 0.000 0.208 312 D C 1.755 178.008 176.300 -0.077 0.000 0.962 312 D CA 0.922 54.908 54.000 -0.023 0.000 0.865 312 D CB -0.048 40.756 40.800 0.006 0.000 0.939 312 D HN 0.484 nan 8.370 nan 0.000 0.510 313 E N -0.281 119.862 120.200 -0.094 0.000 2.479 313 E HA 0.159 4.509 4.350 -0.000 0.000 0.193 313 E C 1.838 178.356 176.600 -0.138 0.000 1.049 313 E CA -0.157 56.148 56.400 -0.158 0.000 0.870 313 E CB 0.107 29.719 29.700 -0.146 0.000 0.944 313 E HN 0.202 nan 8.360 nan 0.000 0.492 314 L N 0.781 121.949 121.223 -0.090 0.000 2.042 314 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 314 L C -0.709 176.118 176.870 -0.072 0.000 1.076 314 L CA 1.427 56.227 54.840 -0.068 0.000 0.749 314 L CB -1.079 40.955 42.059 -0.042 0.000 0.893 314 L HN 0.181 nan 8.230 nan 0.000 0.432 315 P HA -0.151 nan 4.420 nan 0.000 0.216 315 P C 1.543 178.794 177.300 -0.081 0.000 1.150 315 P CA 1.437 64.500 63.100 -0.062 0.000 0.837 315 P CB 0.044 31.714 31.700 -0.050 0.000 0.786 316 I N -1.908 118.566 120.570 -0.159 0.000 2.500 316 I HA -0.102 4.067 4.170 -0.000 0.000 0.252 316 I C 2.216 178.253 176.117 -0.133 0.000 1.142 316 I CA 1.038 62.218 61.300 -0.200 0.000 1.451 316 I CB -0.649 37.074 38.000 -0.462 0.000 1.093 316 I HN -0.178 nan 8.210 nan 0.000 0.430 317 I N 0.865 121.364 120.570 -0.118 0.000 2.315 317 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 317 I C 2.722 178.807 176.117 -0.053 0.000 1.117 317 I CA 1.161 62.414 61.300 -0.078 0.000 1.404 317 I CB -0.423 37.535 38.000 -0.070 0.000 1.071 317 I HN 0.194 nan 8.210 nan 0.000 0.419 318 A N 0.779 123.569 122.820 -0.050 0.000 1.883 318 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 318 A C 2.257 179.824 177.584 -0.028 0.000 1.186 318 A CA 1.822 53.838 52.037 -0.034 0.000 0.624 318 A CB -0.828 18.155 19.000 -0.029 0.000 0.822 318 A HN 0.413 nan 8.150 nan 0.000 0.444 319 L N -0.908 120.297 121.223 -0.030 0.000 2.156 319 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 319 L C 2.121 178.980 176.870 -0.019 0.000 1.095 319 L CA 1.759 56.586 54.840 -0.021 0.000 0.770 319 L CB -0.482 41.570 42.059 -0.012 0.000 0.914 319 L HN 0.344 nan 8.230 nan 0.000 0.439 320 L N -0.103 121.104 121.223 -0.028 0.000 2.201 320 L HA 0.017 4.357 4.340 -0.000 0.000 0.212 320 L C 2.312 179.171 176.870 -0.018 0.000 1.105 320 L CA 1.814 56.641 54.840 -0.023 0.000 0.775 320 L CB -0.701 41.337 42.059 -0.034 0.000 0.913 320 L HN 0.257 nan 8.230 nan 0.000 0.440 321 A N -1.385 121.423 122.820 -0.021 0.000 2.072 321 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 321 A C 2.181 179.758 177.584 -0.013 0.000 1.156 321 A CA 1.201 53.229 52.037 -0.016 0.000 0.701 321 A CB -1.021 17.968 19.000 -0.018 0.000 0.816 321 A HN 0.572 nan 8.150 nan 0.000 0.458 322 T N -2.962 111.584 114.554 -0.014 0.000 3.072 322 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 322 T C 1.318 176.013 174.700 -0.009 0.000 1.127 322 T CA 1.070 63.162 62.100 -0.013 0.000 1.107 322 T CB -0.030 68.828 68.868 -0.018 0.000 0.910 322 T HN 0.388 nan 8.240 nan 0.000 0.513 323 Q N 0.338 120.134 119.800 -0.007 0.000 2.246 323 Q HA 0.479 4.819 4.340 -0.000 0.000 0.222 323 Q C 0.601 176.600 176.000 -0.002 0.000 0.851 323 Q CA 0.040 55.841 55.803 -0.003 0.000 0.945 323 Q CB 0.848 29.585 28.738 -0.001 0.000 1.122 323 Q HN 0.660 nan 8.270 nan 0.000 0.508 324 A N 2.823 125.641 122.820 -0.004 0.000 2.309 324 A HA 0.266 4.586 4.320 -0.000 0.000 0.290 324 A C 0.424 178.006 177.584 -0.002 0.000 1.206 324 A CA -0.496 51.539 52.037 -0.003 0.000 0.850 324 A CB 0.157 19.154 19.000 -0.005 0.000 1.118 324 A HN 0.188 nan 8.150 nan 0.000 0.523 325 Q N 2.510 122.310 119.800 -0.000 0.000 2.271 325 Q HA 0.460 4.800 4.340 -0.000 0.000 0.273 325 Q C 0.401 176.400 176.000 -0.000 0.000 1.051 325 Q CA 0.364 56.168 55.803 0.001 0.000 0.901 325 Q CB 0.373 29.113 28.738 0.002 0.000 1.174 325 Q HN 1.789 nan 8.270 nan 0.000 0.385 326 G N 1.018 109.818 108.800 -0.000 0.000 2.342 326 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.220 326 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.220 326 G C -1.333 173.565 174.900 -0.002 0.000 1.243 326 G CA -0.465 44.635 45.100 -0.001 0.000 1.083 326 G HN 0.695 nan 8.290 nan 0.000 0.500 327 V N 0.686 120.598 119.914 -0.003 0.000 2.448 327 V HA 0.695 4.815 4.120 -0.000 0.000 0.295 327 V C 0.135 176.226 176.094 -0.005 0.000 1.025 327 V CA -0.276 62.022 62.300 -0.004 0.000 0.859 327 V CB 1.591 33.412 31.823 -0.003 0.000 0.988 327 V HN 0.943 nan 8.190 nan 0.000 0.431 328 T N 4.432 118.982 114.554 -0.007 0.000 2.758 328 T HA 0.576 4.926 4.350 -0.000 0.000 0.285 328 T C -0.355 174.340 174.700 -0.009 0.000 0.981 328 T CA -0.341 61.754 62.100 -0.009 0.000 0.965 328 T CB 1.409 70.270 68.868 -0.011 0.000 0.927 328 T HN 0.372 nan 8.240 nan 0.000 0.448 329 V N 5.163 125.072 119.914 -0.009 0.000 2.409 329 V HA 0.493 4.613 4.120 -0.000 0.000 0.291 329 V C -0.222 175.866 176.094 -0.010 0.000 1.020 329 V CA -0.825 61.470 62.300 -0.008 0.000 0.848 329 V CB 1.361 33.180 31.823 -0.006 0.000 0.990 329 V HN 0.801 nan 8.190 nan 0.000 0.430 330 I N 5.408 125.971 120.570 -0.010 0.000 2.339 330 I HA 0.487 4.657 4.170 -0.000 0.000 0.290 330 I C 0.174 176.286 176.117 -0.008 0.000 0.994 330 I CA -0.074 61.220 61.300 -0.011 0.000 1.191 330 I CB 1.140 39.132 38.000 -0.014 0.000 1.343 330 I HN 0.521 nan 8.210 nan 0.000 0.458 331 K N 4.481 124.876 120.400 -0.007 0.000 2.400 331 K HA 0.381 4.700 4.320 -0.000 0.000 0.246 331 K C -0.959 175.639 176.600 -0.004 0.000 0.995 331 K CA -0.874 55.410 56.287 -0.005 0.000 0.840 331 K CB 1.588 34.085 32.500 -0.005 0.000 1.293 331 K HN 0.543 nan 8.250 nan 0.000 0.445 332 D N 0.089 120.488 120.400 -0.002 0.000 2.705 332 D HA -0.185 4.455 4.640 -0.000 0.000 0.240 332 D C -1.122 175.178 176.300 0.000 0.000 1.137 332 D CA 0.913 54.913 54.000 -0.000 0.000 0.677 332 D CB -0.944 39.857 40.800 0.002 0.000 1.049 332 D HN 0.597 nan 8.370 nan 0.000 0.427 333 A N 0.118 122.937 122.820 -0.001 0.000 2.414 333 A HA 0.562 4.882 4.320 -0.000 0.000 0.286 333 A C 0.452 178.035 177.584 -0.001 0.000 1.073 333 A CA -0.552 51.484 52.037 -0.001 0.000 0.727 333 A CB 1.518 20.515 19.000 -0.005 0.000 1.215 333 A HN -0.004 nan 8.150 nan 0.000 0.430 334 E N 1.151 121.351 120.200 0.001 0.000 2.406 334 E HA 0.069 4.419 4.350 -0.000 0.000 0.204 334 E C 1.167 177.768 176.600 0.002 0.000 0.820 334 E CA 0.477 56.877 56.400 0.000 0.000 1.136 334 E CB 0.061 29.762 29.700 0.001 0.000 1.129 334 E HN 0.820 nan 8.360 nan 0.000 0.530 335 E N 0.834 121.036 120.200 0.004 0.000 1.973 335 E HA -0.296 4.054 4.350 -0.000 0.000 0.233 335 E C 0.670 177.274 176.600 0.007 0.000 0.960 335 E CA 1.734 58.138 56.400 0.007 0.000 0.884 335 E CB -0.208 29.498 29.700 0.010 0.000 0.817 335 E HN -0.055 nan 8.360 nan 0.000 0.570 336 L N -1.351 119.877 121.223 0.008 0.000 4.244 336 L HA -0.315 4.025 4.340 -0.000 0.000 0.053 336 L C 0.622 177.500 176.870 0.013 0.000 3.875 336 L CA 2.311 57.156 54.840 0.008 0.000 1.095 336 L CB -1.400 40.661 42.059 0.003 0.000 3.276 336 L HN 0.196 nan 8.230 nan 0.000 0.889 337 K N 0.169 120.575 120.400 0.009 0.000 2.300 337 K HA 0.576 4.896 4.320 -0.000 0.000 0.264 337 K C 0.385 176.990 176.600 0.008 0.000 1.083 337 K CA 0.330 56.623 56.287 0.010 0.000 0.958 337 K CB 0.532 33.035 32.500 0.004 0.000 1.318 337 K HN 0.344 nan 8.250 nan 0.000 0.448 338 V N 2.969 122.890 119.914 0.012 0.000 0.683 338 V HA -0.560 3.560 4.120 -0.000 0.000 0.092 338 V C 1.393 177.492 176.094 0.008 0.000 0.907 338 V CA 2.079 64.385 62.300 0.010 0.000 3.123 338 V CB -1.089 30.738 31.823 0.007 0.000 0.264 338 V HN 0.815 nan 8.190 nan 0.000 0.215 339 K N -0.451 119.952 120.400 0.004 0.000 2.329 339 K HA 0.184 4.504 4.320 -0.000 0.000 0.198 339 K C 0.583 177.183 176.600 0.001 0.000 1.085 339 K CA 0.003 56.291 56.287 0.003 0.000 0.961 339 K CB 0.231 32.732 32.500 0.002 0.000 0.971 339 K HN 0.566 nan 8.250 nan 0.000 0.502 340 E N 1.363 121.562 120.200 -0.001 0.000 2.366 340 E HA 0.009 4.359 4.350 -0.000 0.000 0.266 340 E C 0.108 176.706 176.600 -0.004 0.000 1.051 340 E CA 0.765 57.163 56.400 -0.004 0.000 0.884 340 E CB 1.231 30.926 29.700 -0.008 0.000 1.006 340 E HN 0.454 nan 8.360 nan 0.000 0.417 341 T N -0.929 113.623 114.554 -0.004 0.000 5.291 341 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 341 T C 0.286 174.981 174.700 -0.008 0.000 2.200 341 T CA 0.693 62.790 62.100 -0.005 0.000 3.771 341 T CB -1.554 67.310 68.868 -0.006 0.000 0.413 341 T HN 0.390 nan 8.240 nan 0.000 1.099 342 D N 0.690 121.085 120.400 -0.009 0.000 2.194 342 D HA 0.087 4.727 4.640 -0.000 0.000 0.204 342 D C 2.139 178.434 176.300 -0.009 0.000 0.964 342 D CA 0.740 54.730 54.000 -0.016 0.000 0.846 342 D CB -0.097 40.690 40.800 -0.022 0.000 0.962 342 D HN 0.539 nan 8.370 nan 0.000 0.490 343 R N 0.498 120.998 120.500 0.000 0.000 2.090 343 R HA -0.033 4.307 4.340 -0.000 0.000 0.228 343 R C 2.384 178.687 176.300 0.004 0.000 1.110 343 R CA 0.615 56.719 56.100 0.007 0.000 0.973 343 R CB -0.106 30.199 30.300 0.007 0.000 0.869 343 R HN 0.266 nan 8.270 nan 0.000 0.440 344 I N -1.241 119.328 120.570 -0.001 0.000 2.830 344 I HA -0.094 4.076 4.170 -0.000 0.000 0.263 344 I C 2.137 178.253 176.117 -0.000 0.000 1.230 344 I CA 1.018 62.316 61.300 -0.003 0.000 1.480 344 I CB -0.140 37.856 38.000 -0.006 0.000 1.095 344 I HN -0.024 nan 8.210 nan 0.000 0.455 345 Q N 1.788 121.587 119.800 -0.001 0.000 2.123 345 Q HA -0.060 4.280 4.340 -0.000 0.000 0.196 345 Q C 2.211 178.217 176.000 0.010 0.000 0.958 345 Q CA 2.401 58.203 55.803 -0.001 0.000 0.841 345 Q CB -0.262 28.469 28.738 -0.011 0.000 0.915 345 Q HN 0.595 nan 8.270 nan 0.000 0.455 346 V N -2.322 117.602 119.914 0.017 0.000 2.667 346 V HA -0.031 4.089 4.120 -0.000 0.000 0.252 346 V C 1.982 178.110 176.094 0.057 0.000 1.065 346 V CA 1.327 63.658 62.300 0.051 0.000 1.083 346 V CB -0.619 31.252 31.823 0.078 0.000 0.692 346 V HN 0.148 nan 8.190 nan 0.000 0.468 347 V N 0.981 120.914 119.914 0.032 0.000 2.379 347 V HA -0.048 4.072 4.120 -0.000 0.000 0.245 347 V C 3.066 179.168 176.094 0.014 0.000 1.044 347 V CA 1.975 64.287 62.300 0.020 0.000 1.036 347 V CB -0.821 31.006 31.823 0.005 0.000 0.664 347 V HN 0.625 nan 8.190 nan 0.000 0.453 348 A N -0.222 122.605 122.820 0.011 0.000 1.898 348 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 348 A C 1.973 179.566 177.584 0.015 0.000 1.181 348 A CA 1.940 53.981 52.037 0.008 0.000 0.620 348 A CB -0.553 18.451 19.000 0.005 0.000 0.819 348 A HN 0.520 nan 8.150 nan 0.000 0.442 349 D N -0.011 120.404 120.400 0.026 0.000 2.144 349 D HA -0.012 4.628 4.640 -0.000 0.000 0.200 349 D C 2.156 178.481 176.300 0.041 0.000 0.978 349 D CA 1.431 55.453 54.000 0.037 0.000 0.833 349 D CB -0.292 40.539 40.800 0.052 0.000 0.961 349 D HN 0.429 nan 8.370 nan 0.000 0.470 350 A N 0.063 122.908 122.820 0.041 0.000 1.930 350 A HA -0.001 4.319 4.320 -0.000 0.000 0.215 350 A C 2.284 179.871 177.584 0.005 0.000 1.176 350 A CA 0.628 52.684 52.037 0.031 0.000 0.632 350 A CB -0.408 18.612 19.000 0.034 0.000 0.819 350 A HN 0.179 nan 8.150 nan 0.000 0.445 351 L N -0.620 120.601 121.223 -0.003 0.000 2.202 351 L HA -0.027 4.313 4.340 -0.000 0.000 0.205 351 L C 2.005 178.853 176.870 -0.037 0.000 1.083 351 L CA 0.452 55.277 54.840 -0.025 0.000 0.790 351 L CB -0.366 41.681 42.059 -0.020 0.000 0.942 351 L HN 0.297 nan 8.230 nan 0.000 0.452 352 N N -0.103 118.589 118.700 -0.013 0.000 2.309 352 N HA -0.142 4.598 4.740 -0.000 0.000 0.182 352 N C 2.031 177.544 175.510 0.006 0.000 1.018 352 N CA 1.616 54.663 53.050 -0.005 0.000 0.876 352 N CB -0.105 38.389 38.487 0.011 0.000 0.972 352 N HN 0.345 nan 8.380 nan 0.000 0.434 353 S N -0.076 115.631 115.700 0.012 0.000 2.453 353 S HA 0.041 4.511 4.470 -0.000 0.000 0.231 353 S C 1.868 176.472 174.600 0.007 0.000 1.005 353 S CA 0.462 58.688 58.200 0.043 0.000 0.949 353 S CB -0.119 63.109 63.200 0.047 0.000 0.774 353 S HN 0.205 nan 8.310 nan 0.000 0.510 354 M N 0.629 120.155 119.600 -0.123 0.000 2.514 354 M HA 0.233 4.712 4.480 -0.000 0.000 0.258 354 M C 1.473 177.301 176.300 -0.787 0.000 1.119 354 M CA 0.847 55.940 55.300 -0.344 0.000 1.111 354 M CB 0.327 32.814 32.600 -0.187 0.000 1.390 354 M HN 0.658 nan 8.290 nan 0.000 0.475 355 G N 0.250 108.811 108.800 -0.399 0.000 2.155 355 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.130 355 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.130 355 G C -0.023 174.827 174.900 -0.083 0.000 1.027 355 G CA -0.188 44.773 45.100 -0.231 0.000 0.705 355 G HN 0.573 nan 8.290 nan 0.000 0.496 356 A N -0.352 122.425 122.820 -0.071 0.000 2.240 356 A HA 0.733 5.053 4.320 -0.000 0.000 0.292 356 A C -0.036 177.542 177.584 -0.010 0.000 1.121 356 A CA 0.252 52.268 52.037 -0.035 0.000 0.851 356 A CB 0.887 19.865 19.000 -0.036 0.000 1.167 356 A HN 0.371 nan 8.150 nan 0.000 0.503 357 D N -0.065 120.331 120.400 -0.006 0.000 2.378 357 D HA 0.515 5.155 4.640 -0.000 0.000 0.265 357 D C -1.361 174.938 176.300 -0.001 0.000 1.229 357 D CA 0.078 54.079 54.000 0.001 0.000 0.914 357 D CB -0.068 40.734 40.800 0.004 0.000 1.140 357 D HN 0.319 nan 8.370 nan 0.000 0.516 358 I N 1.437 122.006 120.570 -0.001 0.000 2.436 358 I HA 0.307 4.477 4.170 -0.000 0.000 0.289 358 I C 0.014 176.131 176.117 0.000 0.000 1.010 358 I CA -0.672 60.626 61.300 -0.002 0.000 1.098 358 I CB 2.363 40.360 38.000 -0.005 0.000 1.266 358 I HN 0.094 nan 8.210 nan 0.000 0.434 359 T N 6.746 121.299 114.554 -0.000 0.000 2.809 359 T HA 0.541 4.891 4.350 -0.000 0.000 0.296 359 T C -2.713 171.986 174.700 -0.001 0.000 1.015 359 T CA -2.103 59.997 62.100 0.000 0.000 0.954 359 T CB 0.983 69.852 68.868 0.001 0.000 0.950 359 T HN 0.147 nan 8.240 nan 0.000 0.450 360 P HA 0.305 nan 4.420 nan 0.000 0.276 360 P C 0.007 177.305 177.300 -0.003 0.000 1.230 360 P CA -0.183 62.916 63.100 -0.003 0.000 0.776 360 P CB 0.873 32.571 31.700 -0.003 0.000 0.888 361 T N -1.031 113.521 114.554 -0.003 0.000 2.844 361 T HA 0.619 4.969 4.350 -0.000 0.000 0.274 361 T C 1.200 175.898 174.700 -0.004 0.000 0.991 361 T CA -0.297 61.801 62.100 -0.003 0.000 0.983 361 T CB 0.679 69.546 68.868 -0.003 0.000 1.310 361 T HN 0.155 nan 8.240 nan 0.000 0.596 362 A N 0.234 123.052 122.820 -0.003 0.000 2.014 362 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 362 A C 1.459 179.041 177.584 -0.003 0.000 1.163 362 A CA 1.542 53.578 52.037 -0.003 0.000 0.652 362 A CB -0.988 18.010 19.000 -0.003 0.000 0.808 362 A HN 0.945 nan 8.150 nan 0.000 0.449 363 D N -3.486 116.912 120.400 -0.003 0.000 2.433 363 D HA 0.445 5.085 4.640 -0.000 0.000 0.211 363 D C 0.796 177.093 176.300 -0.004 0.000 1.114 363 D CA 0.734 54.732 54.000 -0.003 0.000 0.837 363 D CB 0.513 41.311 40.800 -0.002 0.000 0.984 363 D HN 0.471 nan 8.370 nan 0.000 0.505 364 G N 0.100 108.897 108.800 -0.005 0.000 2.579 364 G HA2 0.362 4.322 3.960 -0.000 0.000 0.080 364 G HA3 0.362 4.322 3.960 -0.000 0.000 0.080 364 G C -1.547 173.349 174.900 -0.006 0.000 1.040 364 G CA -0.254 44.842 45.100 -0.006 0.000 1.118 364 G HN 0.350 nan 8.290 nan 0.000 0.485 365 M N -0.692 118.904 119.600 -0.007 0.000 2.534 365 M HA 0.794 5.274 4.480 -0.000 0.000 0.280 365 M C -1.906 174.390 176.300 -0.007 0.000 1.217 365 M CA -0.839 54.457 55.300 -0.007 0.000 0.893 365 M CB 2.319 34.914 32.600 -0.008 0.000 1.730 365 M HN 0.345 nan 8.290 nan 0.000 0.483 366 I N 2.949 123.515 120.570 -0.005 0.000 2.362 366 I HA 0.507 4.677 4.170 -0.000 0.000 0.289 366 I C -1.160 174.954 176.117 -0.005 0.000 0.994 366 I CA -0.568 60.729 61.300 -0.005 0.000 1.158 366 I CB 1.786 39.784 38.000 -0.003 0.000 1.315 366 I HN 0.598 nan 8.210 nan 0.000 0.451 367 I N 6.620 127.186 120.570 -0.006 0.000 2.389 367 I HA 0.333 4.503 4.170 -0.000 0.000 0.288 367 I C -0.288 175.826 176.117 -0.005 0.000 0.999 367 I CA -0.564 60.732 61.300 -0.007 0.000 1.129 367 I CB 1.323 39.317 38.000 -0.010 0.000 1.288 367 I HN 0.377 nan 8.210 nan 0.000 0.444 368 K N 4.404 124.802 120.400 -0.003 0.000 2.253 368 K HA 0.547 4.867 4.320 -0.000 0.000 0.277 368 K C 0.428 177.027 176.600 -0.002 0.000 1.053 368 K CA -0.281 56.005 56.287 -0.002 0.000 0.892 368 K CB 1.458 33.958 32.500 0.001 0.000 1.102 368 K HN 0.797 nan 8.250 nan 0.000 0.469 369 G N 1.196 109.994 108.800 -0.003 0.000 2.509 369 G HA2 0.167 4.127 3.960 -0.000 0.000 0.269 369 G HA3 0.167 4.127 3.960 -0.000 0.000 0.269 369 G C -0.510 174.390 174.900 -0.001 0.000 1.416 369 G CA -0.463 44.635 45.100 -0.003 0.000 1.052 369 G HN 0.569 nan 8.290 nan 0.000 0.542 370 K N -1.118 119.281 120.400 -0.001 0.000 3.689 370 K HA -0.158 4.162 4.320 -0.000 0.000 0.276 370 K C -0.478 176.124 176.600 0.003 0.000 0.932 370 K CA 0.670 56.958 56.287 0.002 0.000 0.758 370 K CB -1.601 30.901 32.500 0.004 0.000 1.500 370 K HN 0.440 nan 8.250 nan 0.000 0.448 371 S N 0.773 116.473 115.700 -0.001 0.000 2.473 371 S HA 0.723 5.193 4.470 -0.000 0.000 0.307 371 S C -0.281 174.318 174.600 -0.003 0.000 1.094 371 S CA -0.410 57.790 58.200 0.000 0.000 1.070 371 S CB 1.946 65.141 63.200 -0.008 0.000 1.019 371 S HN 0.524 nan 8.310 nan 0.000 0.480 372 A N 3.963 126.790 122.820 0.011 0.000 2.404 372 A HA 0.488 4.808 4.320 -0.000 0.000 0.273 372 A C -0.079 177.505 177.584 -0.000 0.000 1.144 372 A CA -0.335 51.713 52.037 0.018 0.000 0.806 372 A CB -0.277 18.747 19.000 0.040 0.000 1.080 372 A HN 0.844 nan 8.150 nan 0.000 0.509 373 L N 3.567 124.771 121.223 -0.031 0.000 2.312 373 L HA 0.486 4.826 4.340 -0.000 0.000 0.281 373 L C 0.450 177.288 176.870 -0.054 0.000 1.070 373 L CA -0.638 54.134 54.840 -0.113 0.000 0.805 373 L CB 0.965 42.971 42.059 -0.088 0.000 1.174 373 L HN 1.033 nan 8.230 nan 0.000 0.434 374 H N 0.312 119.388 119.070 0.010 0.000 2.824 374 H HA 0.691 5.247 4.556 -0.000 0.000 0.345 374 H C 0.010 175.344 175.328 0.010 0.000 1.252 374 H CA -1.000 55.053 56.048 0.008 0.000 1.246 374 H CB 0.615 30.381 29.762 0.007 0.000 1.908 374 H HN 0.530 nan 8.280 nan 0.000 0.601 375 G N -0.640 108.301 108.800 0.234 0.000 2.406 375 G HA2 0.503 4.463 3.960 -0.000 0.000 0.251 375 G HA3 0.503 4.463 3.960 -0.000 0.000 0.251 375 G C -0.704 174.295 174.900 0.164 0.000 1.271 375 G CA 0.227 45.410 45.100 0.138 0.000 0.859 375 G HN 0.892 nan 8.290 nan 0.000 0.540 376 A N 2.622 125.494 122.820 0.087 0.000 2.610 376 A HA 0.789 5.109 4.320 -0.000 0.000 0.291 376 A C -0.435 177.170 177.584 0.036 0.000 1.086 376 A CA -0.833 51.247 52.037 0.071 0.000 0.677 376 A CB 1.410 20.451 19.000 0.067 0.000 1.278 376 A HN 0.763 nan 8.150 nan 0.000 0.414 377 R N 0.743 121.259 120.500 0.028 0.000 2.312 377 R HA 0.650 4.990 4.340 -0.000 0.000 0.311 377 R C -1.609 174.689 176.300 -0.003 0.000 1.004 377 R CA -0.228 55.876 56.100 0.007 0.000 0.902 377 R CB 1.180 31.481 30.300 0.002 0.000 1.073 377 R HN 0.524 nan 8.270 nan 0.000 0.457 378 V N 4.082 123.981 119.914 -0.025 0.000 2.588 378 V HA 0.284 4.404 4.120 -0.000 0.000 0.304 378 V C -0.548 175.470 176.094 -0.125 0.000 1.042 378 V CA -0.951 61.323 62.300 -0.044 0.000 0.877 378 V CB 1.997 33.807 31.823 -0.021 0.000 0.996 378 V HN 0.804 nan 8.190 nan 0.000 0.425 379 N N 1.421 119.975 118.700 -0.242 0.000 2.421 379 N HA 0.358 5.098 4.740 -0.000 0.000 0.285 379 N C 1.181 176.353 175.510 -0.562 0.000 1.027 379 N CA 0.085 52.809 53.050 -0.543 0.000 0.918 379 N CB 1.853 39.721 38.487 -1.031 0.000 1.152 379 N HN 0.835 nan 8.380 nan 0.000 0.485 380 T N 0.771 115.098 114.554 -0.379 0.000 2.942 380 T HA -0.004 4.346 4.350 -0.000 0.000 0.265 380 T C 0.655 175.352 174.700 -0.005 0.000 1.062 380 T CA 0.506 62.522 62.100 -0.141 0.000 1.139 380 T CB -0.527 68.301 68.868 -0.067 0.000 0.883 380 T HN 0.640 nan 8.240 nan 0.000 0.468 381 F N 1.606 121.567 119.950 0.017 0.000 3.057 381 F HA -0.128 4.399 4.527 -0.000 0.000 0.287 381 F C 1.447 177.262 175.800 0.025 0.000 0.834 381 F CA 0.666 58.678 58.000 0.019 0.000 1.147 381 F CB -2.109 36.900 39.000 0.016 0.000 1.245 381 F HN 0.638 nan 8.300 nan 0.000 0.509 382 G N -0.721 108.155 108.800 0.126 0.000 2.159 382 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.227 382 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.227 382 G C -0.295 174.675 174.900 0.115 0.000 0.986 382 G CA -0.046 45.117 45.100 0.104 0.000 0.651 382 G HN 0.503 nan 8.290 nan 0.000 0.523 383 D N -0.009 120.463 120.400 0.121 0.000 2.232 383 D HA 0.432 5.072 4.640 -0.000 0.000 0.242 383 D C 1.651 178.010 176.300 0.099 0.000 1.093 383 D CA -0.122 53.957 54.000 0.132 0.000 0.845 383 D CB 0.634 41.492 40.800 0.097 0.000 1.124 383 D HN 0.592 nan 8.370 nan 0.000 0.467 384 H N 2.269 121.325 119.070 -0.023 0.000 2.470 384 H HA 0.136 4.692 4.556 -0.000 0.000 0.289 384 H C 1.421 176.662 175.328 -0.145 0.000 1.033 384 H CA 0.475 56.469 56.048 -0.090 0.000 1.331 384 H CB 0.400 30.120 29.762 -0.071 0.000 1.414 384 H HN 0.168 nan 8.280 nan 0.000 0.545 385 R N 0.224 120.406 120.500 -0.530 0.000 2.119 385 R HA 0.017 4.357 4.340 -0.000 0.000 0.222 385 R C 1.903 178.144 176.300 -0.099 0.000 1.088 385 R CA 1.070 56.998 56.100 -0.286 0.000 0.984 385 R CB -0.092 30.053 30.300 -0.259 0.000 0.884 385 R HN 0.364 nan 8.270 nan 0.000 0.447 386 I N 0.196 120.708 120.570 -0.097 0.000 2.353 386 I HA -0.104 4.066 4.170 -0.000 0.000 0.248 386 I C 2.492 178.556 176.117 -0.088 0.000 1.119 386 I CA 1.341 62.613 61.300 -0.047 0.000 1.417 386 I CB -0.426 37.574 38.000 0.000 0.000 1.078 386 I HN 0.196 nan 8.210 nan 0.000 0.421 387 G N -0.013 108.703 108.800 -0.139 0.000 2.418 387 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 387 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 387 G C 1.733 176.460 174.900 -0.289 0.000 1.158 387 G CA 0.538 45.547 45.100 -0.152 0.000 0.771 387 G HN 0.230 nan 8.290 nan 0.000 0.545 388 M N -0.193 119.036 119.600 -0.618 0.000 2.319 388 M HA 0.158 4.638 4.480 -0.000 0.000 0.265 388 M C 2.513 178.513 176.300 -0.499 0.000 1.068 388 M CA 0.820 55.443 55.300 -1.129 0.000 1.118 388 M CB -0.152 31.050 32.600 -2.329 0.000 1.395 388 M HN 0.309 nan 8.290 nan 0.000 0.435 389 M N -0.158 119.354 119.600 -0.147 0.000 2.099 389 M HA -0.158 4.322 4.480 -0.000 0.000 0.262 389 M C 1.641 177.952 176.300 0.018 0.000 1.067 389 M CA 1.709 57.051 55.300 0.070 0.000 1.124 389 M CB -0.206 32.445 32.600 0.086 0.000 1.353 389 M HN 0.140 nan 8.290 nan 0.000 0.410 390 T N 0.944 115.491 114.554 -0.013 0.000 2.867 390 T HA 0.024 4.374 4.350 -0.000 0.000 0.268 390 T C 1.808 176.534 174.700 0.043 0.000 1.057 390 T CA 1.198 63.304 62.100 0.011 0.000 1.136 390 T CB -0.423 68.447 68.868 0.004 0.000 0.874 390 T HN 0.560 nan 8.240 nan 0.000 0.466 391 A N 1.949 124.803 122.820 0.057 0.000 1.898 391 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 391 A C 2.273 179.932 177.584 0.124 0.000 1.181 391 A CA 1.491 53.617 52.037 0.149 0.000 0.620 391 A CB -0.644 18.506 19.000 0.251 0.000 0.819 391 A HN 0.693 nan 8.150 nan 0.000 0.442 392 I N -3.575 117.056 120.570 0.102 0.000 3.059 392 I HA 0.299 4.469 4.170 -0.000 0.000 0.270 392 I C 1.994 178.151 176.117 0.067 0.000 1.238 392 I CA 1.152 62.510 61.300 0.097 0.000 1.478 392 I CB 0.001 38.068 38.000 0.112 0.000 1.097 392 I HN 0.102 nan 8.210 nan 0.000 0.455 393 A N 1.231 124.081 122.820 0.051 0.000 2.016 393 A HA 0.338 4.658 4.320 -0.000 0.000 0.217 393 A C 2.476 180.073 177.584 0.022 0.000 1.162 393 A CA 1.023 53.076 52.037 0.027 0.000 0.662 393 A CB -0.731 18.277 19.000 0.012 0.000 0.812 393 A HN 0.546 nan 8.150 nan 0.000 0.450 394 A N 0.167 123.009 122.820 0.037 0.000 2.014 394 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 394 A C 1.963 179.564 177.584 0.029 0.000 1.163 394 A CA 1.168 53.226 52.037 0.035 0.000 0.652 394 A CB -0.578 18.454 19.000 0.053 0.000 0.808 394 A HN 0.499 nan 8.150 nan 0.000 0.449 395 L N -1.334 119.909 121.223 0.033 0.000 2.275 395 L HA -0.103 4.237 4.340 -0.000 0.000 0.215 395 L C 1.955 178.829 176.870 0.007 0.000 1.119 395 L CA 0.384 55.235 54.840 0.019 0.000 0.790 395 L CB -0.527 41.548 42.059 0.026 0.000 0.919 395 L HN 0.224 nan 8.230 nan 0.000 0.443 396 L N -0.719 120.511 121.223 0.011 0.000 2.509 396 L HA 0.091 4.431 4.340 -0.000 0.000 0.222 396 L C 0.767 177.641 176.870 0.007 0.000 1.123 396 L CA 0.576 55.420 54.840 0.006 0.000 0.856 396 L CB -0.006 42.056 42.059 0.005 0.000 0.985 396 L HN -0.086 nan 8.230 nan 0.000 0.456 397 V N 0.254 120.175 119.914 0.011 0.000 2.470 397 V HA 0.202 4.322 4.120 -0.000 0.000 0.276 397 V C 1.190 177.297 176.094 0.022 0.000 1.040 397 V CA 0.567 62.880 62.300 0.022 0.000 1.008 397 V CB 0.764 32.603 31.823 0.027 0.000 0.990 397 V HN 0.302 nan 8.190 nan 0.000 0.477 398 A N 3.790 126.627 122.820 0.030 0.000 2.055 398 A HA 0.222 4.542 4.320 -0.000 0.000 0.205 398 A C 0.766 178.367 177.584 0.028 0.000 1.235 398 A CA 0.231 52.281 52.037 0.022 0.000 0.822 398 A CB 0.162 19.173 19.000 0.019 0.000 0.903 398 A HN 0.696 nan 8.150 nan 0.000 0.473 399 D N -0.742 119.685 120.400 0.045 0.000 2.344 399 D HA 0.496 5.136 4.640 -0.000 0.000 0.239 399 D C 0.252 176.585 176.300 0.055 0.000 1.064 399 D CA 1.181 55.206 54.000 0.041 0.000 0.829 399 D CB 1.005 41.827 40.800 0.036 0.000 1.129 399 D HN 0.792 nan 8.370 nan 0.000 0.506 400 G N 2.535 111.355 108.800 0.035 0.000 2.712 400 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.683 400 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.683 400 G C -0.837 174.085 174.900 0.037 0.000 1.320 400 G CA -0.816 44.306 45.100 0.037 0.000 0.847 400 G HN 0.467 nan 8.290 nan 0.000 0.553 401 E N -1.114 119.105 120.200 0.033 0.000 2.212 401 E HA 0.613 4.963 4.350 -0.000 0.000 0.268 401 E C -0.213 176.406 176.600 0.031 0.000 0.902 401 E CA -0.647 55.768 56.400 0.026 0.000 0.779 401 E CB 1.956 31.665 29.700 0.014 0.000 1.172 401 E HN 0.656 nan 8.360 nan 0.000 0.409 402 V N 3.092 123.022 119.914 0.027 0.000 2.370 402 V HA 0.304 4.424 4.120 -0.000 0.000 0.279 402 V C 0.086 176.190 176.094 0.017 0.000 1.029 402 V CA -0.575 61.740 62.300 0.026 0.000 0.870 402 V CB 1.234 33.075 31.823 0.029 0.000 0.984 402 V HN 0.526 nan 8.190 nan 0.000 0.451 403 E N 4.190 124.396 120.200 0.010 0.000 2.191 403 E HA 0.588 4.938 4.350 -0.000 0.000 0.274 403 E C -1.167 175.429 176.600 -0.007 0.000 0.948 403 E CA -0.678 55.721 56.400 -0.002 0.000 0.802 403 E CB 2.271 31.966 29.700 -0.007 0.000 1.137 403 E HN 0.355 nan 8.360 nan 0.000 0.397 404 L N 3.263 124.478 121.223 -0.014 0.000 2.376 404 L HA 0.388 4.728 4.340 -0.000 0.000 0.275 404 L C -1.310 175.536 176.870 -0.040 0.000 0.987 404 L CA -0.541 54.288 54.840 -0.018 0.000 0.828 404 L CB 1.556 43.630 42.059 0.025 0.000 1.249 404 L HN 0.607 nan 8.230 nan 0.000 0.409 405 D N 4.926 125.281 120.400 -0.075 0.000 2.175 405 D HA 0.338 4.978 4.640 -0.000 0.000 0.248 405 D C 0.118 176.359 176.300 -0.098 0.000 1.047 405 D CA -0.261 53.683 54.000 -0.092 0.000 0.883 405 D CB 1.467 42.188 40.800 -0.131 0.000 1.180 405 D HN 0.386 nan 8.370 nan 0.000 0.438 406 R N 0.765 121.224 120.500 -0.068 0.000 3.152 406 R HA -0.204 4.136 4.340 -0.000 0.000 0.252 406 R C 0.427 176.719 176.300 -0.013 0.000 0.930 406 R CA 0.424 56.498 56.100 -0.044 0.000 0.642 406 R CB -1.494 28.766 30.300 -0.066 0.000 1.205 406 R HN 0.516 nan 8.270 nan 0.000 0.452 407 A N 0.494 123.323 122.820 0.014 0.000 2.206 407 A HA -0.058 4.262 4.320 -0.000 0.000 0.211 407 A C 1.530 179.175 177.584 0.101 0.000 1.158 407 A CA 0.912 52.996 52.037 0.078 0.000 0.761 407 A CB 0.039 19.096 19.000 0.093 0.000 0.801 407 A HN 0.544 nan 8.150 nan 0.000 0.473 408 E N 0.134 120.369 120.200 0.058 0.000 2.347 408 E HA 0.077 4.427 4.350 -0.000 0.000 0.196 408 E C 1.911 178.544 176.600 0.055 0.000 1.008 408 E CA 0.795 57.231 56.400 0.060 0.000 0.852 408 E CB -0.302 29.421 29.700 0.038 0.000 0.783 408 E HN 0.586 nan 8.360 nan 0.000 0.505 409 A N 0.672 123.520 122.820 0.047 0.000 2.015 409 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 409 A C 2.060 179.679 177.584 0.058 0.000 1.163 409 A CA 0.815 52.881 52.037 0.049 0.000 0.646 409 A CB -0.504 18.527 19.000 0.051 0.000 0.806 409 A HN 0.217 nan 8.150 nan 0.000 0.448 410 I N 0.260 120.854 120.570 0.041 0.000 2.454 410 I HA -0.265 3.905 4.170 -0.000 0.000 0.254 410 I C 1.595 177.737 176.117 0.043 0.000 1.156 410 I CA 1.313 62.608 61.300 -0.007 0.000 1.433 410 I CB -0.514 37.417 38.000 -0.115 0.000 1.082 410 I HN 0.370 nan 8.210 nan 0.000 0.432 411 N N -0.080 118.661 118.700 0.068 0.000 2.573 411 N HA -0.118 4.622 4.740 -0.000 0.000 0.187 411 N C 1.447 176.976 175.510 0.032 0.000 1.107 411 N CA 1.137 54.232 53.050 0.076 0.000 0.918 411 N CB -0.127 38.407 38.487 0.078 0.000 0.966 411 N HN 0.332 nan 8.380 nan 0.000 0.448 412 T N -1.289 113.255 114.554 -0.017 0.000 2.867 412 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 412 T C 2.032 176.659 174.700 -0.122 0.000 1.057 412 T CA 1.469 63.512 62.100 -0.095 0.000 1.136 412 T CB -0.079 68.675 68.868 -0.191 0.000 0.874 412 T HN 0.422 nan 8.240 nan 0.000 0.466 413 S N -1.381 114.269 115.700 -0.083 0.000 2.727 413 S HA 0.234 4.704 4.470 -0.000 0.000 0.249 413 S C 0.210 174.836 174.600 0.044 0.000 1.079 413 S CA -0.700 57.477 58.200 -0.038 0.000 0.912 413 S CB 0.015 63.206 63.200 -0.016 0.000 0.861 413 S HN 0.503 nan 8.310 nan 0.000 0.484 414 Y N 3.292 123.593 120.300 0.001 0.000 2.705 414 Y HA 0.410 4.960 4.550 -0.000 0.000 0.355 414 Y C -2.295 173.645 175.900 0.067 0.000 1.039 414 Y CA -2.316 55.806 58.100 0.038 0.000 1.233 414 Y CB 1.889 40.340 38.460 -0.014 0.000 1.103 414 Y HN 0.156 nan 8.280 nan 0.000 0.624 415 P HA -0.120 nan 4.420 nan 0.000 0.221 415 P C 0.714 178.181 177.300 0.279 0.000 1.150 415 P CA 1.108 64.350 63.100 0.237 0.000 0.800 415 P CB 0.313 32.108 31.700 0.159 0.000 0.787 416 S N -1.968 113.959 115.700 0.378 0.000 2.481 416 S HA 0.194 4.664 4.470 -0.000 0.000 0.243 416 S C 1.006 175.739 174.600 0.222 0.000 1.152 416 S CA -0.871 57.511 58.200 0.304 0.000 1.168 416 S CB -1.568 61.798 63.200 0.276 0.000 0.835 416 S HN -0.034 nan 8.310 nan 0.000 0.474 417 F N 1.391 121.245 119.950 -0.160 0.000 2.149 417 F HA 0.182 4.709 4.527 -0.000 0.000 0.294 417 F C 1.319 176.926 175.800 -0.320 0.000 1.095 417 F CA 1.047 58.648 58.000 -0.665 0.000 1.276 417 F CB -0.091 38.342 39.000 -0.946 0.000 1.023 417 F HN 0.365 nan 8.300 nan 0.000 0.480 418 F N 0.593 120.471 119.950 -0.120 0.000 2.407 418 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 418 F C 2.069 177.803 175.800 -0.109 0.000 1.097 418 F CA 0.772 58.678 58.000 -0.157 0.000 1.422 418 F CB -0.392 38.602 39.000 -0.010 0.000 1.067 418 F HN -0.025 nan 8.300 nan 0.000 0.539 419 D N 0.133 120.595 120.400 0.104 0.000 2.149 419 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 419 D C 1.671 177.964 176.300 -0.012 0.000 0.972 419 D CA 1.115 55.155 54.000 0.066 0.000 0.835 419 D CB -0.269 40.586 40.800 0.092 0.000 0.966 419 D HN 0.237 nan 8.370 nan 0.000 0.476 420 D N 0.117 120.473 120.400 -0.073 0.000 2.194 420 D HA -0.067 4.573 4.640 -0.000 0.000 0.204 420 D C 2.146 178.227 176.300 -0.365 0.000 0.964 420 D CA 0.117 54.000 54.000 -0.195 0.000 0.846 420 D CB 0.017 40.731 40.800 -0.144 0.000 0.962 420 D HN 0.143 nan 8.370 nan 0.000 0.490 421 L N 1.122 122.177 121.223 -0.280 0.000 2.109 421 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 421 L C 1.943 178.740 176.870 -0.122 0.000 1.086 421 L CA 1.549 56.265 54.840 -0.206 0.000 0.760 421 L CB -0.142 41.809 42.059 -0.180 0.000 0.910 421 L HN -0.190 nan 8.230 nan 0.000 0.437 422 E N -0.354 119.817 120.200 -0.047 0.000 2.150 422 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 422 E C 2.319 178.948 176.600 0.049 0.000 0.985 422 E CA 1.270 57.685 56.400 0.025 0.000 0.814 422 E CB -0.096 29.660 29.700 0.094 0.000 0.752 422 E HN 0.724 nan 8.360 nan 0.000 0.466 423 S N 0.231 115.923 115.700 -0.014 0.000 2.428 423 S HA -0.031 4.439 4.470 -0.000 0.000 0.230 423 S C 2.171 176.747 174.600 -0.040 0.000 1.014 423 S CA 0.453 58.648 58.200 -0.008 0.000 0.957 423 S CB -0.375 62.793 63.200 -0.053 0.000 0.784 423 S HN 0.155 nan 8.310 nan 0.000 0.499 424 L N 0.344 121.493 121.223 -0.124 0.000 2.131 424 L HA 0.132 4.472 4.340 -0.000 0.000 0.206 424 L C 2.479 179.326 176.870 -0.038 0.000 1.087 424 L CA 0.853 55.621 54.840 -0.119 0.000 0.767 424 L CB -0.486 41.433 42.059 -0.233 0.000 0.917 424 L HN 0.279 nan 8.230 nan 0.000 0.441 425 I N -0.809 119.707 120.570 -0.091 0.000 2.252 425 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 425 I C 2.169 178.212 176.117 -0.123 0.000 1.102 425 I CA 1.160 62.369 61.300 -0.152 0.000 1.385 425 I CB -0.256 37.549 38.000 -0.325 0.000 1.064 425 I HN 0.306 nan 8.210 nan 0.000 0.414 426 H N 0.183 119.299 119.070 0.075 0.000 2.539 426 H HA 0.248 4.804 4.556 -0.000 0.000 0.269 426 H C 1.185 176.534 175.328 0.037 0.000 0.980 426 H CA 0.355 56.444 56.048 0.069 0.000 1.152 426 H CB -0.342 29.438 29.762 0.031 0.000 1.407 426 H HN 0.254 nan 8.280 nan 0.000 0.564 427 G N 0.000 108.866 108.800 0.110 0.000 5.446 427 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 427 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 427 G CA 0.000 45.133 45.100 0.056 0.000 0.502 427 G HN 0.000 nan 8.290 nan 0.000 0.925