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 2nql_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNSPIATVEV FTLTQPRKVP YLGALREGEV VNPNGYIVRK GNRTVYPTFD DATA SEQUENCE RSVLVRMTTE AGTVGWGETY GIVAPGAVAA LINDLLAGFV IGRDASDPSA DATA SEQUENCE VYDDLYDMMR VRGYTGGFYV DALAALDIAL WDIAGQEAGK SIRDLLGGGV DATA SEQUENCE DSFPAYVSGL PERTLKARGE LAKYWQDRGF NAFKFATPVA DDGPAAEIAN DATA SEQUENCE LRQVLGPQAK IAADMHWNQT PERALELIAE MQPFDPWFAE APVWTEDIAG DATA SEQUENCE LEKVSKNTDV PIAVGEEWRT HWDMRARIER CRIAIVQPEM GHKGITNFIR DATA SEQUENCE IGALAAEHGI DVIPHATVGA GIFLAASLQA SSTLSMLKGH EFQHSIFEPN DATA SEQUENCE RRLLDGDMDC REGRYHLPSG PGLGVRPSEA ALGLIERI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 N N 1.197 119.895 118.700 -0.003 0.000 2.439 2 N HA 0.505 5.246 4.740 0.001 0.000 0.249 2 N C -1.252 174.252 175.510 -0.010 0.000 1.003 2 N CA -0.102 52.942 53.050 -0.010 0.000 0.942 2 N CB 1.552 40.028 38.487 -0.020 0.000 1.115 2 N HN 0.320 nan 8.380 nan 0.000 0.505 3 S N 2.705 118.399 115.700 -0.009 0.000 2.537 3 S HA 0.381 4.852 4.470 0.001 0.000 0.275 3 S C -2.378 172.213 174.600 -0.015 0.000 1.272 3 S CA -1.539 56.655 58.200 -0.009 0.000 1.050 3 S CB 0.469 63.666 63.200 -0.007 0.000 0.961 3 S HN 0.256 nan 8.310 nan 0.000 0.496 4 P HA 0.075 nan 4.420 nan 0.000 0.267 4 P C -0.406 176.882 177.300 -0.021 0.000 1.200 4 P CA -0.356 62.734 63.100 -0.017 0.000 0.772 4 P CB 0.181 31.872 31.700 -0.016 0.000 0.855 5 I N 1.773 122.329 120.570 -0.023 0.000 2.683 5 I HA -0.017 4.154 4.170 0.001 0.000 0.286 5 I C 1.442 177.540 176.117 -0.031 0.000 1.175 5 I CA 0.387 61.670 61.300 -0.027 0.000 1.429 5 I CB -0.468 37.517 38.000 -0.026 0.000 1.371 5 I HN 0.469 nan 8.210 nan 0.000 0.569 6 A N 5.724 128.523 122.820 -0.034 0.000 1.920 6 A HA 0.174 4.495 4.320 0.001 0.000 0.209 6 A C 0.893 178.452 177.584 -0.042 0.000 1.229 6 A CA 0.960 52.977 52.037 -0.035 0.000 0.671 6 A CB 0.014 18.996 19.000 -0.030 0.000 0.886 6 A HN 0.732 nan 8.150 nan 0.000 0.461 7 T N -3.170 111.355 114.554 -0.048 0.000 2.900 7 T HA 0.623 4.974 4.350 0.001 0.000 0.303 7 T C -1.252 173.408 174.700 -0.067 0.000 1.142 7 T CA -0.635 61.432 62.100 -0.056 0.000 1.007 7 T CB 1.804 70.640 68.868 -0.052 0.000 1.156 7 T HN 0.332 nan 8.240 nan 0.000 0.490 8 V N 1.878 121.749 119.914 -0.071 0.000 2.482 8 V HA 0.508 4.629 4.120 0.001 0.000 0.295 8 V C -0.602 175.428 176.094 -0.106 0.000 1.026 8 V CA -0.702 61.552 62.300 -0.077 0.000 0.856 8 V CB 1.444 33.238 31.823 -0.049 0.000 1.001 8 V HN 1.001 nan 8.190 nan 0.000 0.424 9 E N 3.232 123.351 120.200 -0.136 0.000 2.187 9 E HA 0.677 5.028 4.350 0.001 0.000 0.268 9 E C -1.262 175.135 176.600 -0.338 0.000 0.896 9 E CA -0.659 55.587 56.400 -0.257 0.000 0.766 9 E CB 2.802 32.376 29.700 -0.210 0.000 1.142 9 E HN 0.462 nan 8.360 nan 0.000 0.408 10 V N 3.716 123.353 119.914 -0.463 0.000 2.483 10 V HA 0.539 4.660 4.120 0.001 0.000 0.295 10 V C -0.701 175.074 176.094 -0.531 0.000 1.035 10 V CA -0.636 61.488 62.300 -0.294 0.000 0.896 10 V CB 0.521 32.275 31.823 -0.115 0.000 0.986 10 V HN 0.531 nan 8.190 nan 0.000 0.447 11 F N 0.809 120.828 119.950 0.114 0.000 2.613 11 F HA 0.703 5.231 4.527 0.001 0.000 0.314 11 F C 0.366 176.238 175.800 0.120 0.000 1.075 11 F CA -0.734 57.337 58.000 0.119 0.000 0.945 11 F CB 2.381 41.481 39.000 0.168 0.000 1.310 11 F HN 0.522 nan 8.300 nan 0.000 0.467 12 T N 0.124 114.858 114.554 0.301 0.000 2.918 12 T HA 0.734 5.085 4.350 0.001 0.000 0.286 12 T C -1.414 173.384 174.700 0.163 0.000 1.026 12 T CA -0.742 61.481 62.100 0.205 0.000 1.031 12 T CB 1.895 70.843 68.868 0.133 0.000 1.046 12 T HN 0.518 nan 8.240 nan 0.000 0.479 13 L N 2.043 123.333 121.223 0.113 0.000 2.343 13 L HA 0.670 5.011 4.340 0.001 0.000 0.278 13 L C -0.745 176.151 176.870 0.043 0.000 0.996 13 L CA -0.127 54.741 54.840 0.048 0.000 0.831 13 L CB 1.551 43.612 42.059 0.003 0.000 1.232 13 L HN 0.957 nan 8.230 nan 0.000 0.413 14 T N 4.797 119.362 114.554 0.018 0.000 2.824 14 T HA 0.666 5.017 4.350 0.001 0.000 0.282 14 T C -0.749 173.956 174.700 0.009 0.000 0.993 14 T CA -0.540 61.567 62.100 0.010 0.000 0.967 14 T CB 1.612 70.430 68.868 -0.083 0.000 0.960 14 T HN 0.622 nan 8.240 nan 0.000 0.441 15 Q N 1.708 121.535 119.800 0.045 0.000 2.456 15 Q HA 0.395 4.736 4.340 0.001 0.000 0.284 15 Q C -2.852 173.193 176.000 0.074 0.000 1.061 15 Q CA -2.454 53.370 55.803 0.034 0.000 0.799 15 Q CB 2.492 31.235 28.738 0.008 0.000 1.445 15 Q HN 0.313 nan 8.270 nan 0.000 0.411 16 P HA -0.018 nan 4.420 nan 0.000 0.267 16 P C -0.766 176.559 177.300 0.041 0.000 1.200 16 P CA 0.219 63.365 63.100 0.077 0.000 0.772 16 P CB 0.510 32.248 31.700 0.063 0.000 0.855 17 R N 2.957 123.464 120.500 0.012 0.000 2.590 17 R HA 0.101 4.442 4.340 0.001 0.000 0.274 17 R C 0.811 177.125 176.300 0.022 0.000 1.061 17 R CA 0.089 56.151 56.100 -0.064 0.000 1.081 17 R CB 0.415 30.541 30.300 -0.290 0.000 0.984 17 R HN 0.427 nan 8.270 nan 0.000 0.448 18 K N 1.098 121.503 120.400 0.008 0.000 2.478 18 K HA 0.188 4.509 4.320 0.001 0.000 0.205 18 K C -0.088 176.537 176.600 0.043 0.000 1.033 18 K CA -0.108 56.197 56.287 0.032 0.000 1.091 18 K CB 0.905 33.413 32.500 0.014 0.000 0.844 18 K HN 0.223 nan 8.250 nan 0.000 0.507 19 V N 3.298 123.248 119.914 0.060 0.000 2.680 19 V HA 0.387 4.508 4.120 0.001 0.000 0.309 19 V C -2.498 173.695 176.094 0.165 0.000 1.052 19 V CA -2.477 59.867 62.300 0.073 0.000 0.908 19 V CB 2.320 34.153 31.823 0.017 0.000 1.001 19 V HN 0.043 nan 8.190 nan 0.000 0.431 20 P HA 0.171 nan 4.420 nan 0.000 0.271 20 P C -1.017 176.361 177.300 0.130 0.000 1.226 20 P CA 0.392 63.547 63.100 0.091 0.000 0.765 20 P CB 0.178 31.895 31.700 0.029 0.000 0.835 21 Y N 1.139 121.418 120.300 -0.035 0.000 2.435 21 Y HA 0.326 4.877 4.550 0.001 0.000 0.270 21 Y C 1.410 177.262 175.900 -0.080 0.000 1.093 21 Y CA -0.215 57.848 58.100 -0.062 0.000 1.226 21 Y CB -0.495 37.928 38.460 -0.060 0.000 1.289 21 Y HN -0.028 nan 8.280 nan 0.000 0.529 22 L N 1.441 122.232 121.223 -0.720 0.000 2.478 22 L HA 0.177 4.518 4.340 0.001 0.000 0.223 22 L C 2.418 179.136 176.870 -0.252 0.000 1.140 22 L CA 0.975 55.485 54.840 -0.550 0.000 0.842 22 L CB -0.402 41.304 42.059 -0.589 0.000 0.953 22 L HN 0.562 nan 8.230 nan 0.000 0.452 23 G N 0.043 108.735 108.800 -0.181 0.000 2.479 23 G HA2 -0.248 3.713 3.960 0.001 0.000 0.220 23 G HA3 -0.248 3.713 3.960 0.001 0.000 0.220 23 G C 1.701 176.549 174.900 -0.088 0.000 1.115 23 G CA 0.755 45.792 45.100 -0.105 0.000 0.757 23 G HN 0.468 nan 8.290 nan 0.000 0.560 24 A N -0.133 122.624 122.820 -0.106 0.000 2.119 24 A HA 0.338 4.659 4.320 0.001 0.000 0.217 24 A C 1.159 178.694 177.584 -0.082 0.000 1.153 24 A CA 0.204 52.182 52.037 -0.098 0.000 0.692 24 A CB -0.115 18.799 19.000 -0.143 0.000 0.799 24 A HN 0.318 nan 8.150 nan 0.000 0.458 25 L N 0.104 121.275 121.223 -0.086 0.000 2.288 25 L HA 0.369 4.710 4.340 0.001 0.000 0.283 25 L C 0.851 177.700 176.870 -0.034 0.000 1.072 25 L CA -0.214 54.596 54.840 -0.049 0.000 0.862 25 L CB 0.706 42.733 42.059 -0.053 0.000 1.245 25 L HN 0.198 nan 8.230 nan 0.000 0.432 26 R N 1.019 121.510 120.500 -0.015 0.000 2.543 26 R HA 0.164 4.505 4.340 0.001 0.000 0.323 26 R C 0.225 176.527 176.300 0.002 0.000 1.002 26 R CA 0.043 56.136 56.100 -0.011 0.000 1.106 26 R CB 0.668 30.961 30.300 -0.011 0.000 1.280 26 R HN 0.543 nan 8.270 nan 0.000 0.549 27 E N -0.141 120.066 120.200 0.011 0.000 2.887 27 E HA 0.169 4.520 4.350 0.001 0.000 0.206 27 E C 0.114 176.727 176.600 0.022 0.000 0.983 27 E CA -0.004 56.407 56.400 0.020 0.000 1.141 27 E CB 1.556 31.275 29.700 0.031 0.000 1.061 27 E HN 0.360 nan 8.360 nan 0.000 0.468 28 G N 2.108 110.917 108.800 0.015 0.000 2.160 28 G HA2 -0.300 3.661 3.960 0.001 0.000 0.244 28 G HA3 -0.300 3.661 3.960 0.001 0.000 0.244 28 G C -0.122 174.793 174.900 0.026 0.000 1.022 28 G CA 0.061 45.171 45.100 0.017 0.000 0.741 28 G HN 0.264 nan 8.290 nan 0.000 0.508 29 E N -0.733 119.485 120.200 0.030 0.000 2.413 29 E HA 0.430 4.781 4.350 0.001 0.000 0.263 29 E C 0.575 177.203 176.600 0.047 0.000 1.015 29 E CA 0.130 56.558 56.400 0.046 0.000 0.916 29 E CB 1.234 30.969 29.700 0.058 0.000 0.947 29 E HN 0.269 nan 8.360 nan 0.000 0.440 30 V N 3.101 123.051 119.914 0.060 0.000 2.628 30 V HA 0.227 4.348 4.120 0.001 0.000 0.306 30 V C -0.199 175.944 176.094 0.082 0.000 1.045 30 V CA -1.081 61.255 62.300 0.060 0.000 0.905 30 V CB 1.937 33.792 31.823 0.054 0.000 0.997 30 V HN 0.428 nan 8.190 nan 0.000 0.436 31 V N 4.359 124.322 119.914 0.081 0.000 2.572 31 V HA 0.153 4.274 4.120 0.001 0.000 0.291 31 V C 0.561 176.720 176.094 0.107 0.000 1.039 31 V CA -0.041 62.321 62.300 0.103 0.000 1.055 31 V CB 0.300 32.179 31.823 0.092 0.000 0.969 31 V HN 0.880 nan 8.190 nan 0.000 0.482 32 N N 4.142 122.927 118.700 0.143 0.000 2.502 32 N HA 0.435 5.176 4.740 0.001 0.000 0.280 32 N C -2.599 173.002 175.510 0.151 0.000 1.223 32 N CA -1.504 51.634 53.050 0.147 0.000 0.966 32 N CB 1.617 40.210 38.487 0.176 0.000 1.203 32 N HN 0.350 nan 8.380 nan 0.000 0.565 33 P HA 0.039 nan 4.420 nan 0.000 0.264 33 P C -0.427 176.964 177.300 0.151 0.000 1.183 33 P CA 0.546 63.720 63.100 0.124 0.000 0.763 33 P CB 0.226 31.995 31.700 0.114 0.000 0.807 34 N N 1.883 120.624 118.700 0.067 0.000 2.850 34 N HA -0.170 4.571 4.740 0.001 0.000 0.249 34 N C 0.791 176.193 175.510 -0.180 0.000 1.060 34 N CA 1.591 54.629 53.050 -0.020 0.000 0.825 34 N CB -1.836 36.693 38.487 0.070 0.000 1.132 34 N HN 0.850 nan 8.380 nan 0.000 0.564 35 G N -1.397 107.372 108.800 -0.052 0.000 2.131 35 G HA2 -0.323 3.638 3.960 0.001 0.000 0.223 35 G HA3 -0.323 3.638 3.960 0.001 0.000 0.223 35 G C -0.297 174.568 174.900 -0.058 0.000 0.990 35 G CA 0.293 45.414 45.100 0.035 0.000 0.671 35 G HN 0.409 nan 8.290 nan 0.000 0.521 36 Y N -0.744 119.679 120.300 0.206 0.000 2.352 36 Y HA 0.764 5.315 4.550 0.002 0.000 0.326 36 Y C 0.627 176.607 175.900 0.135 0.000 1.166 36 Y CA -1.203 56.986 58.100 0.148 0.000 1.182 36 Y CB 1.458 39.999 38.460 0.135 0.000 1.216 36 Y HN 0.235 nan 8.280 nan 0.000 0.474 37 I N 1.918 122.686 120.570 0.330 0.000 2.569 37 I HA 0.486 4.656 4.170 0.001 0.000 0.290 37 I C -1.622 174.666 176.117 0.285 0.000 1.088 37 I CA -0.783 60.671 61.300 0.255 0.000 1.047 37 I CB 1.358 39.481 38.000 0.205 0.000 1.237 37 I HN 0.312 nan 8.210 nan 0.000 0.421 38 V N 7.562 127.608 119.914 0.219 0.000 2.383 38 V HA 0.394 4.515 4.120 0.001 0.000 0.275 38 V C 0.298 176.526 176.094 0.223 0.000 1.036 38 V CA -0.562 61.869 62.300 0.218 0.000 0.889 38 V CB 1.401 33.307 31.823 0.138 0.000 0.985 38 V HN 0.668 nan 8.190 nan 0.000 0.459 39 R N 4.209 124.895 120.500 0.310 0.000 2.351 39 R HA 0.156 4.497 4.340 0.001 0.000 0.318 39 R C 1.145 177.554 176.300 0.182 0.000 1.055 39 R CA -0.060 56.175 56.100 0.225 0.000 0.968 39 R CB 0.335 30.788 30.300 0.253 0.000 0.974 39 R HN 0.658 nan 8.270 nan 0.000 0.439 40 K N 2.934 123.409 120.400 0.126 0.000 2.147 40 K HA -0.118 4.202 4.320 0.001 0.000 0.205 40 K C 1.758 178.429 176.600 0.119 0.000 1.049 40 K CA 1.579 57.930 56.287 0.108 0.000 0.936 40 K CB 0.020 32.567 32.500 0.079 0.000 0.722 40 K HN 0.882 nan 8.250 nan 0.000 0.446 41 G N 1.650 110.522 108.800 0.120 0.000 2.422 41 G HA2 -0.223 3.737 3.960 0.001 0.000 0.218 41 G HA3 -0.223 3.737 3.960 0.001 0.000 0.218 41 G C 1.106 176.112 174.900 0.176 0.000 1.140 41 G CA 1.020 46.194 45.100 0.125 0.000 0.775 41 G HN 0.414 nan 8.290 nan 0.000 0.545 42 N N -1.754 117.081 118.700 0.225 0.000 2.159 42 N HA 0.074 4.815 4.740 0.001 0.000 0.217 42 N C 0.948 176.648 175.510 0.316 0.000 1.223 42 N CA -0.182 53.054 53.050 0.309 0.000 0.896 42 N CB 0.122 38.822 38.487 0.356 0.000 1.064 42 N HN 0.273 nan 8.380 nan 0.000 0.518 43 R N -1.423 119.216 120.500 0.231 0.000 3.989 43 R HA -0.125 4.216 4.340 0.001 0.000 0.377 43 R C -0.764 175.612 176.300 0.127 0.000 1.158 43 R CA 1.371 57.566 56.100 0.158 0.000 1.035 43 R CB -2.763 27.605 30.300 0.114 0.000 1.557 43 R HN 0.245 nan 8.270 nan 0.000 0.551 44 T N 0.372 115.030 114.554 0.174 0.000 2.856 44 T HA 0.395 4.746 4.350 0.001 0.000 0.292 44 T C 0.161 174.835 174.700 -0.044 0.000 0.980 44 T CA -0.408 61.708 62.100 0.026 0.000 1.091 44 T CB 2.008 70.886 68.868 0.017 0.000 0.936 44 T HN 0.063 nan 8.240 nan 0.000 0.503 45 V N 4.153 123.964 119.914 -0.172 0.000 2.732 45 V HA 0.481 4.601 4.120 0.001 0.000 0.297 45 V C -1.348 174.535 176.094 -0.352 0.000 1.060 45 V CA -0.208 62.028 62.300 -0.106 0.000 1.038 45 V CB 0.403 32.172 31.823 -0.089 0.000 1.003 45 V HN 0.799 nan 8.190 nan 0.000 0.481 46 Y N 6.012 126.404 120.300 0.153 0.000 2.512 46 Y HA 0.590 5.141 4.550 0.001 0.000 0.348 46 Y C -2.196 173.777 175.900 0.122 0.000 0.990 46 Y CA -2.313 55.867 58.100 0.133 0.000 1.033 46 Y CB 2.307 40.851 38.460 0.139 0.000 1.259 46 Y HN 0.495 nan 8.280 nan 0.000 0.461 47 P HA 0.124 nan 4.420 nan 0.000 0.276 47 P C 0.015 177.001 177.300 -0.523 0.000 1.244 47 P CA -0.477 62.314 63.100 -0.514 0.000 0.801 47 P CB 1.152 32.267 31.700 -0.975 0.000 1.006 48 T N -1.094 113.053 114.554 -0.679 0.000 3.260 48 T HA 0.537 4.888 4.350 0.001 0.000 0.254 48 T C -0.068 174.587 174.700 -0.076 0.000 0.951 48 T CA -0.431 61.601 62.100 -0.113 0.000 0.918 48 T CB -1.427 67.550 68.868 0.182 0.000 1.098 48 T HN 0.441 nan 8.240 nan 0.000 0.563 49 F N -2.749 117.150 119.950 -0.086 0.000 2.829 49 F HA 0.662 5.190 4.527 0.001 0.000 0.319 49 F C -1.931 173.817 175.800 -0.086 0.000 1.153 49 F CA -1.667 56.288 58.000 -0.076 0.000 0.912 49 F CB 0.259 39.238 39.000 -0.034 0.000 1.292 49 F HN -0.210 nan 8.300 nan 0.000 0.447 50 D N 1.243 121.757 120.400 0.191 0.000 2.163 50 D HA 0.661 5.302 4.640 0.001 0.000 0.248 50 D C -0.945 175.509 176.300 0.257 0.000 1.035 50 D CA -0.270 53.803 54.000 0.121 0.000 0.872 50 D CB 2.044 42.858 40.800 0.023 0.000 1.183 50 D HN 0.767 nan 8.370 nan 0.000 0.445 51 R N 0.558 121.198 120.500 0.234 0.000 2.594 51 R HA 0.507 4.848 4.340 0.001 0.000 0.265 51 R C -1.446 174.962 176.300 0.180 0.000 1.070 51 R CA -0.464 55.773 56.100 0.229 0.000 0.909 51 R CB 1.176 31.684 30.300 0.348 0.000 1.243 51 R HN 0.582 nan 8.270 nan 0.000 0.455 52 S N 1.089 116.882 115.700 0.154 0.000 2.651 52 S HA 0.611 5.082 4.470 0.001 0.000 0.279 52 S C -1.196 173.532 174.600 0.212 0.000 1.148 52 S CA -0.803 57.511 58.200 0.189 0.000 0.837 52 S CB 2.027 65.320 63.200 0.154 0.000 1.138 52 S HN 0.233 nan 8.310 nan 0.000 0.478 53 V N 1.702 121.774 119.914 0.262 0.000 2.394 53 V HA 0.500 4.620 4.120 0.001 0.000 0.282 53 V C -0.584 175.688 176.094 0.296 0.000 1.031 53 V CA -0.545 61.914 62.300 0.264 0.000 0.881 53 V CB 0.973 32.950 31.823 0.257 0.000 0.982 53 V HN 0.775 nan 8.190 nan 0.000 0.451 54 L N 5.103 126.530 121.223 0.340 0.000 2.334 54 L HA 0.699 5.040 4.340 0.001 0.000 0.273 54 L C -0.710 176.446 176.870 0.477 0.000 1.013 54 L CA -0.773 54.328 54.840 0.433 0.000 0.816 54 L CB 2.217 44.566 42.059 0.483 0.000 1.278 54 L HN 0.331 nan 8.230 nan 0.000 0.431 55 V N 2.838 123.005 119.914 0.423 0.000 2.487 55 V HA 0.446 4.566 4.120 0.001 0.000 0.298 55 V C -0.283 175.819 176.094 0.013 0.000 1.028 55 V CA -0.650 61.786 62.300 0.227 0.000 0.860 55 V CB 1.903 33.813 31.823 0.144 0.000 0.991 55 V HN 0.665 nan 8.190 nan 0.000 0.427 56 R N 4.977 125.329 120.500 -0.247 0.000 2.255 56 R HA 0.683 5.024 4.340 0.001 0.000 0.326 56 R C -0.783 175.306 176.300 -0.352 0.000 0.986 56 R CA -0.444 55.199 56.100 -0.762 0.000 0.847 56 R CB 1.092 30.811 30.300 -0.970 0.000 1.111 56 R HN 0.776 nan 8.270 nan 0.000 0.452 57 M N 3.729 123.138 119.600 -0.317 0.000 2.243 57 M HA 0.363 4.844 4.480 0.001 0.000 0.324 57 M C -1.423 174.789 176.300 -0.146 0.000 1.031 57 M CA -0.280 54.925 55.300 -0.159 0.000 0.949 57 M CB 2.244 34.793 32.600 -0.084 0.000 1.615 57 M HN 0.586 nan 8.290 nan 0.000 0.430 58 T N 2.457 116.950 114.554 -0.102 0.000 2.848 58 T HA 0.454 4.805 4.350 0.001 0.000 0.285 58 T C -0.098 174.574 174.700 -0.046 0.000 0.995 58 T CA -0.688 61.367 62.100 -0.074 0.000 0.970 58 T CB 1.558 70.385 68.868 -0.068 0.000 0.976 58 T HN 0.766 nan 8.240 nan 0.000 0.441 59 T N 0.459 114.994 114.554 -0.032 0.000 2.828 59 T HA 0.263 4.614 4.350 0.001 0.000 0.290 59 T C 1.237 175.925 174.700 -0.019 0.000 1.019 59 T CA -0.621 61.465 62.100 -0.023 0.000 1.031 59 T CB 0.788 69.647 68.868 -0.015 0.000 1.001 59 T HN 0.458 nan 8.240 nan 0.000 0.531 60 E N 0.839 121.029 120.200 -0.017 0.000 2.153 60 E HA -0.108 4.243 4.350 0.001 0.000 0.194 60 E C 2.256 178.851 176.600 -0.009 0.000 0.988 60 E CA 1.358 57.750 56.400 -0.014 0.000 0.811 60 E CB -0.602 29.090 29.700 -0.013 0.000 0.746 60 E HN 0.849 nan 8.360 nan 0.000 0.466 61 A N -0.032 122.785 122.820 -0.006 0.000 2.167 61 A HA 0.197 4.518 4.320 0.001 0.000 0.214 61 A C 1.731 179.315 177.584 0.001 0.000 1.151 61 A CA 1.240 53.276 52.037 -0.001 0.000 0.735 61 A CB -0.072 18.929 19.000 0.001 0.000 0.802 61 A HN 0.313 nan 8.150 nan 0.000 0.467 62 G N -1.974 106.826 108.800 -0.002 0.000 2.163 62 G HA2 -0.179 3.782 3.960 0.001 0.000 0.213 62 G HA3 -0.179 3.782 3.960 0.001 0.000 0.213 62 G C 0.265 175.168 174.900 0.005 0.000 0.991 62 G CA 0.142 45.242 45.100 0.001 0.000 0.653 62 G HN 0.529 nan 8.290 nan 0.000 0.518 63 T N 1.219 115.776 114.554 0.004 0.000 2.834 63 T HA 0.451 4.802 4.350 0.001 0.000 0.298 63 T C 0.439 175.138 174.700 -0.002 0.000 0.966 63 T CA 0.136 62.243 62.100 0.012 0.000 1.141 63 T CB 2.071 70.948 68.868 0.015 0.000 0.905 63 T HN 0.445 nan 8.240 nan 0.000 0.535 64 V N 3.615 123.536 119.914 0.011 0.000 2.370 64 V HA 0.671 4.791 4.120 0.001 0.000 0.283 64 V C 0.747 176.838 176.094 -0.005 0.000 1.023 64 V CA -0.705 61.576 62.300 -0.033 0.000 0.857 64 V CB 1.479 33.304 31.823 0.003 0.000 0.985 64 V HN 1.013 nan 8.190 nan 0.000 0.443 65 G N 3.249 112.001 108.800 -0.079 0.000 2.432 65 G HA2 0.645 4.605 3.960 0.001 0.000 0.331 65 G HA3 0.645 4.605 3.960 0.001 0.000 0.331 65 G C -1.853 172.985 174.900 -0.103 0.000 1.170 65 G CA -0.547 44.560 45.100 0.012 0.000 0.943 65 G HN 0.585 nan 8.290 nan 0.000 0.483 66 W N -0.018 121.330 121.300 0.079 0.000 2.736 66 W HA 0.654 5.315 4.660 0.001 0.000 0.335 66 W C 0.354 176.937 176.519 0.107 0.000 1.059 66 W CA -0.342 57.055 57.345 0.087 0.000 1.226 66 W CB 2.855 32.347 29.460 0.054 0.000 1.416 66 W HN 0.830 nan 8.180 nan 0.000 0.505 67 G N 0.894 109.921 108.800 0.379 0.000 2.730 67 G HA2 0.726 4.687 3.960 0.001 0.000 0.289 67 G HA3 0.726 4.687 3.960 0.001 0.000 0.289 67 G C -1.841 173.270 174.900 0.351 0.000 1.341 67 G CA -0.598 44.691 45.100 0.316 0.000 0.932 67 G HN 0.380 nan 8.290 nan 0.000 0.481 68 E N -1.438 118.976 120.200 0.356 0.000 2.375 68 E HA 0.563 4.913 4.350 0.001 0.000 0.280 68 E C -1.481 175.428 176.600 0.515 0.000 0.972 68 E CA -0.568 56.085 56.400 0.423 0.000 0.782 68 E CB 2.594 32.507 29.700 0.356 0.000 1.229 68 E HN 0.590 nan 8.360 nan 0.000 0.439 69 T N 0.714 115.547 114.554 0.464 0.000 2.681 69 T HA 0.376 4.727 4.350 0.001 0.000 0.296 69 T C -1.385 173.547 174.700 0.387 0.000 1.157 69 T CA -0.449 61.849 62.100 0.329 0.000 1.025 69 T CB 0.257 69.284 68.868 0.267 0.000 1.441 69 T HN 0.339 nan 8.240 nan 0.000 0.504 70 Y N 0.565 120.917 120.300 0.087 0.000 2.712 70 Y HA 0.405 4.956 4.550 0.001 0.000 0.333 70 Y C 1.491 177.543 175.900 0.252 0.000 1.225 70 Y CA 1.230 59.422 58.100 0.154 0.000 1.499 70 Y CB 0.585 39.095 38.460 0.082 0.000 1.288 70 Y HN 0.738 nan 8.280 nan 0.000 0.575 71 G N 2.599 111.606 108.800 0.346 0.000 3.815 71 G HA2 0.054 4.015 3.960 0.001 0.000 0.265 71 G HA3 0.054 4.015 3.960 0.001 0.000 0.265 71 G C 1.100 176.215 174.900 0.358 0.000 1.026 71 G CA 0.237 45.538 45.100 0.334 0.000 0.868 71 G HN 0.737 nan 8.290 nan 0.000 0.476 72 I N -1.372 119.413 120.570 0.359 0.000 2.264 72 I HA 0.070 4.241 4.170 0.001 0.000 0.248 72 I C 0.134 176.561 176.117 0.516 0.000 1.111 72 I CA 0.883 62.415 61.300 0.387 0.000 1.382 72 I CB -0.321 37.831 38.000 0.253 0.000 1.060 72 I HN -0.142 nan 8.210 nan 0.000 0.418 73 V N 1.552 121.742 119.914 0.460 0.000 2.483 73 V HA 0.661 4.782 4.120 0.001 0.000 0.297 73 V C 0.528 176.834 176.094 0.354 0.000 1.027 73 V CA -0.793 61.755 62.300 0.413 0.000 0.855 73 V CB 1.048 32.995 31.823 0.208 0.000 0.995 73 V HN 0.482 nan 8.190 nan 0.000 0.424 74 A N 6.487 129.499 122.820 0.319 0.000 2.362 74 A HA -0.103 4.218 4.320 0.001 0.000 0.290 74 A C -0.694 176.953 177.584 0.104 0.000 1.441 74 A CA 0.758 52.881 52.037 0.144 0.000 0.743 74 A CB -1.064 17.915 19.000 -0.036 0.000 1.125 74 A HN 0.761 nan 8.150 nan 0.000 0.378 75 P HA -0.109 nan 4.420 nan 0.000 0.222 75 P C 1.713 179.066 177.300 0.088 0.000 1.147 75 P CA 1.461 64.663 63.100 0.170 0.000 0.790 75 P CB -0.323 31.485 31.700 0.181 0.000 0.780 76 G N 0.738 109.565 108.800 0.045 0.000 2.485 76 G HA2 -0.249 3.711 3.960 0.001 0.000 0.221 76 G HA3 -0.249 3.711 3.960 0.001 0.000 0.221 76 G C 1.718 176.593 174.900 -0.041 0.000 1.115 76 G CA 0.937 46.039 45.100 0.003 0.000 0.751 76 G HN 0.380 nan 8.290 nan 0.000 0.567 77 A N 0.170 122.920 122.820 -0.116 0.000 1.841 77 A HA 0.082 4.403 4.320 0.001 0.000 0.214 77 A C 2.602 180.154 177.584 -0.053 0.000 1.195 77 A CA 1.778 53.688 52.037 -0.210 0.000 0.611 77 A CB -0.784 17.823 19.000 -0.655 0.000 0.835 77 A HN 0.242 nan 8.150 nan 0.000 0.443 78 V N 0.024 119.970 119.914 0.053 0.000 2.332 78 V HA -0.268 3.853 4.120 0.001 0.000 0.248 78 V C 3.072 179.213 176.094 0.078 0.000 1.055 78 V CA 2.030 64.410 62.300 0.134 0.000 1.038 78 V CB -1.222 30.733 31.823 0.221 0.000 0.651 78 V HN 0.631 nan 8.190 nan 0.000 0.450 79 A N -0.132 122.722 122.820 0.058 0.000 1.908 79 A HA -0.151 4.170 4.320 0.001 0.000 0.218 79 A C 2.425 180.013 177.584 0.006 0.000 1.181 79 A CA 2.202 54.255 52.037 0.027 0.000 0.627 79 A CB -0.784 18.227 19.000 0.018 0.000 0.818 79 A HN 0.585 nan 8.150 nan 0.000 0.445 80 A N -0.274 122.546 122.820 -0.000 0.000 1.877 80 A HA -0.034 4.287 4.320 0.001 0.000 0.216 80 A C 2.179 179.767 177.584 0.007 0.000 1.186 80 A CA 1.471 53.504 52.037 -0.008 0.000 0.620 80 A CB -0.636 18.351 19.000 -0.023 0.000 0.822 80 A HN 0.472 nan 8.150 nan 0.000 0.443 81 L N -0.600 120.638 121.223 0.025 0.000 2.012 81 L HA -0.220 4.120 4.340 0.001 0.000 0.210 81 L C 2.527 179.421 176.870 0.041 0.000 1.073 81 L CA 1.516 56.386 54.840 0.050 0.000 0.748 81 L CB -0.526 41.583 42.059 0.083 0.000 0.891 81 L HN 0.402 nan 8.230 nan 0.000 0.431 82 I N -0.498 120.089 120.570 0.029 0.000 2.193 82 I HA -0.241 3.930 4.170 0.001 0.000 0.240 82 I C 2.226 178.348 176.117 0.008 0.000 1.084 82 I CA 1.042 62.355 61.300 0.021 0.000 1.365 82 I CB -0.412 37.600 38.000 0.020 0.000 1.064 82 I HN 0.317 nan 8.210 nan 0.000 0.410 83 N N 0.645 119.340 118.700 -0.008 0.000 2.188 83 N HA -0.206 4.535 4.740 0.001 0.000 0.184 83 N C 1.511 177.012 175.510 -0.015 0.000 1.018 83 N CA 1.651 54.686 53.050 -0.025 0.000 0.858 83 N CB -0.356 38.108 38.487 -0.038 0.000 0.989 83 N HN 0.390 nan 8.380 nan 0.000 0.426 84 D N -0.375 120.025 120.400 -0.000 0.000 2.137 84 D HA -0.028 4.613 4.640 0.001 0.000 0.202 84 D C 1.671 177.990 176.300 0.032 0.000 0.970 84 D CA 0.532 54.535 54.000 0.006 0.000 0.837 84 D CB 0.246 41.049 40.800 0.004 0.000 0.981 84 D HN 0.118 nan 8.370 nan 0.000 0.475 85 L N -1.013 120.250 121.223 0.067 0.000 2.614 85 L HA 0.351 4.692 4.340 0.001 0.000 0.185 85 L C 1.594 178.597 176.870 0.221 0.000 1.098 85 L CA 0.503 55.434 54.840 0.152 0.000 0.852 85 L CB -0.412 41.734 42.059 0.145 0.000 1.213 85 L HN 0.022 nan 8.230 nan 0.000 0.491 86 L N 0.101 121.412 121.223 0.146 0.000 2.162 86 L HA 0.125 4.466 4.340 0.001 0.000 0.205 86 L C 2.634 179.582 176.870 0.131 0.000 1.086 86 L CA 0.907 55.843 54.840 0.161 0.000 0.778 86 L CB -0.754 41.335 42.059 0.051 0.000 0.928 86 L HN 0.354 nan 8.230 nan 0.000 0.446 87 A N 0.668 123.520 122.820 0.053 0.000 1.908 87 A HA -0.170 4.151 4.320 0.001 0.000 0.218 87 A C 2.389 179.954 177.584 -0.032 0.000 1.181 87 A CA 1.845 53.885 52.037 0.006 0.000 0.627 87 A CB -1.322 17.663 19.000 -0.025 0.000 0.818 87 A HN 0.434 nan 8.150 nan 0.000 0.445 88 G N -1.649 107.097 108.800 -0.089 0.000 2.450 88 G HA2 -0.144 3.817 3.960 0.001 0.000 0.220 88 G HA3 -0.144 3.817 3.960 0.001 0.000 0.220 88 G C 1.113 175.773 174.900 -0.399 0.000 1.130 88 G CA 1.055 45.988 45.100 -0.278 0.000 0.760 88 G HN 0.479 nan 8.290 nan 0.000 0.557 89 F N -0.334 119.611 119.950 -0.009 0.000 2.765 89 F HA 0.261 4.789 4.527 0.001 0.000 0.302 89 F C 2.139 177.935 175.800 -0.007 0.000 1.111 89 F CA -0.131 57.866 58.000 -0.005 0.000 1.359 89 F CB 0.577 39.578 39.000 0.002 0.000 1.097 89 F HN -0.026 nan 8.300 nan 0.000 0.577 90 V N -0.357 119.619 119.914 0.104 0.000 2.672 90 V HA 0.036 4.157 4.120 0.001 0.000 0.242 90 V C 1.141 177.241 176.094 0.010 0.000 1.059 90 V CA 0.121 62.455 62.300 0.055 0.000 1.081 90 V CB -0.037 31.811 31.823 0.043 0.000 0.752 90 V HN -0.024 nan 8.190 nan 0.000 0.472 91 I N 1.603 122.160 120.570 -0.022 0.000 2.741 91 I HA 0.255 4.426 4.170 0.001 0.000 0.288 91 I C 1.507 177.602 176.117 -0.038 0.000 1.192 91 I CA 1.550 62.825 61.300 -0.040 0.000 1.426 91 I CB 0.191 38.154 38.000 -0.063 0.000 1.367 91 I HN 0.451 nan 8.210 nan 0.000 0.563 92 G N 4.806 113.588 108.800 -0.029 0.000 2.268 92 G HA2 -0.212 3.749 3.960 0.001 0.000 0.240 92 G HA3 -0.212 3.749 3.960 0.001 0.000 0.240 92 G C 0.619 175.513 174.900 -0.009 0.000 1.010 92 G CA -0.483 44.605 45.100 -0.021 0.000 0.618 92 G HN 0.481 nan 8.290 nan 0.000 0.516 93 R N 1.453 121.952 120.500 -0.002 0.000 2.580 93 R HA 0.575 4.916 4.340 0.001 0.000 0.267 93 R C 0.334 176.626 176.300 -0.013 0.000 1.125 93 R CA 0.536 56.637 56.100 0.001 0.000 1.188 93 R CB 0.452 30.761 30.300 0.014 0.000 1.155 93 R HN 0.645 nan 8.270 nan 0.000 0.586 94 D N -2.065 118.322 120.400 -0.022 0.000 2.687 94 D HA 0.400 5.041 4.640 0.001 0.000 0.264 94 D C -0.477 175.786 176.300 -0.061 0.000 1.091 94 D CA -0.788 53.191 54.000 -0.034 0.000 1.123 94 D CB 0.692 41.476 40.800 -0.028 0.000 1.407 94 D HN 0.330 nan 8.370 nan 0.000 0.591 95 A N -0.549 122.227 122.820 -0.074 0.000 2.460 95 A HA 0.264 4.585 4.320 0.001 0.000 0.258 95 A C 1.517 179.011 177.584 -0.150 0.000 1.300 95 A CA 0.444 52.403 52.037 -0.130 0.000 0.913 95 A CB -0.938 17.998 19.000 -0.106 0.000 1.031 95 A HN 0.514 nan 8.150 nan 0.000 0.512 96 S N -0.531 115.109 115.700 -0.100 0.000 2.419 96 S HA -0.110 4.361 4.470 0.001 0.000 0.233 96 S C 0.542 175.072 174.600 -0.116 0.000 1.016 96 S CA 1.363 59.513 58.200 -0.082 0.000 0.974 96 S CB -0.020 63.154 63.200 -0.042 0.000 0.786 96 S HN 0.395 nan 8.310 nan 0.000 0.492 97 D N 0.865 121.172 120.400 -0.154 0.000 2.586 97 D HA 0.382 5.023 4.640 0.001 0.000 0.254 97 D C -2.492 173.657 176.300 -0.252 0.000 1.248 97 D CA -2.016 51.883 54.000 -0.169 0.000 0.843 97 D CB 1.424 42.187 40.800 -0.063 0.000 1.332 97 D HN -0.032 nan 8.370 nan 0.000 0.523 98 P HA -0.084 nan 4.420 nan 0.000 0.218 98 P C 1.331 178.502 177.300 -0.215 0.000 1.148 98 P CA 0.823 63.584 63.100 -0.566 0.000 0.822 98 P CB 0.452 31.306 31.700 -1.411 0.000 0.784 99 S N -0.597 115.048 115.700 -0.092 0.000 2.402 99 S HA -0.071 4.400 4.470 0.001 0.000 0.229 99 S C 2.030 176.738 174.600 0.180 0.000 1.021 99 S CA 1.117 59.425 58.200 0.180 0.000 0.974 99 S CB -0.906 62.449 63.200 0.260 0.000 0.800 99 S HN 0.156 nan 8.310 nan 0.000 0.484 100 A N 1.229 124.098 122.820 0.082 0.000 1.902 100 A HA -0.053 4.268 4.320 0.001 0.000 0.217 100 A C 2.306 179.937 177.584 0.079 0.000 1.181 100 A CA 1.494 53.577 52.037 0.077 0.000 0.623 100 A CB -0.861 18.160 19.000 0.035 0.000 0.818 100 A HN 0.348 nan 8.150 nan 0.000 0.443 101 V N -1.326 118.621 119.914 0.056 0.000 2.295 101 V HA -0.286 3.834 4.120 0.001 0.000 0.246 101 V C 2.338 178.490 176.094 0.098 0.000 1.049 101 V CA 2.087 64.423 62.300 0.060 0.000 1.024 101 V CB -1.147 30.694 31.823 0.029 0.000 0.648 101 V HN 0.711 nan 8.190 nan 0.000 0.447 102 Y N 1.664 122.001 120.300 0.062 0.000 2.069 102 Y HA -0.323 4.228 4.550 0.001 0.000 0.278 102 Y C 2.383 178.376 175.900 0.155 0.000 1.175 102 Y CA 2.322 60.489 58.100 0.112 0.000 1.134 102 Y CB -0.465 38.076 38.460 0.135 0.000 0.965 102 Y HN 0.312 nan 8.280 nan 0.000 0.498 103 D N 0.024 120.486 120.400 0.102 0.000 2.144 103 D HA -0.160 4.481 4.640 0.001 0.000 0.199 103 D C 1.759 178.079 176.300 0.034 0.000 0.984 103 D CA 1.570 55.614 54.000 0.074 0.000 0.834 103 D CB -0.402 40.508 40.800 0.184 0.000 0.955 103 D HN 0.465 nan 8.370 nan 0.000 0.465 104 D N 0.220 120.635 120.400 0.024 0.000 2.117 104 D HA -0.090 4.550 4.640 0.001 0.000 0.197 104 D C 2.360 178.634 176.300 -0.044 0.000 0.987 104 D CA 0.448 54.448 54.000 -0.000 0.000 0.829 104 D CB -0.291 40.514 40.800 0.009 0.000 0.961 104 D HN 0.240 nan 8.370 nan 0.000 0.460 105 L N -0.486 120.701 121.223 -0.060 0.000 2.056 105 L HA -0.178 4.162 4.340 0.001 0.000 0.207 105 L C 2.443 179.320 176.870 0.012 0.000 1.078 105 L CA 0.912 55.717 54.840 -0.059 0.000 0.749 105 L CB -0.563 41.452 42.059 -0.074 0.000 0.901 105 L HN 0.051 nan 8.230 nan 0.000 0.433 106 Y N 1.496 121.658 120.300 -0.230 0.000 2.128 106 Y HA -0.325 4.226 4.550 0.001 0.000 0.284 106 Y C 2.278 178.187 175.900 0.014 0.000 1.154 106 Y CA 1.911 59.957 58.100 -0.090 0.000 1.149 106 Y CB -0.249 38.014 38.460 -0.327 0.000 0.976 106 Y HN 0.217 nan 8.280 nan 0.000 0.505 107 D N -0.222 120.205 120.400 0.044 0.000 2.221 107 D HA -0.218 4.423 4.640 0.001 0.000 0.204 107 D C 2.155 178.377 176.300 -0.130 0.000 0.982 107 D CA 1.424 55.400 54.000 -0.040 0.000 0.857 107 D CB -0.320 40.491 40.800 0.019 0.000 0.934 107 D HN 0.479 nan 8.370 nan 0.000 0.475 108 M N -0.946 118.576 119.600 -0.131 0.000 2.202 108 M HA -0.106 4.375 4.480 0.001 0.000 0.262 108 M C 1.187 177.359 176.300 -0.213 0.000 1.063 108 M CA 1.082 56.274 55.300 -0.180 0.000 1.097 108 M CB 0.059 32.538 32.600 -0.202 0.000 1.382 108 M HN 0.015 nan 8.290 nan 0.000 0.413 109 M N -1.290 118.129 119.600 -0.303 0.000 2.289 109 M HA 0.128 4.609 4.480 0.001 0.000 0.335 109 M C 1.667 177.761 176.300 -0.343 0.000 0.961 109 M CA 0.257 55.323 55.300 -0.389 0.000 1.018 109 M CB -0.133 31.969 32.600 -0.831 0.000 1.678 109 M HN 0.288 nan 8.290 nan 0.000 0.589 110 R N 1.321 121.571 120.500 -0.416 0.000 2.081 110 R HA -0.076 4.265 4.340 0.001 0.000 0.235 110 R C 1.584 177.712 176.300 -0.286 0.000 1.131 110 R CA 2.108 57.935 56.100 -0.455 0.000 0.960 110 R CB -1.275 28.674 30.300 -0.585 0.000 0.856 110 R HN 0.264 nan 8.270 nan 0.000 0.436 111 V N -0.936 118.850 119.914 -0.213 0.000 2.913 111 V HA 0.012 4.133 4.120 0.001 0.000 0.260 111 V C 1.668 177.663 176.094 -0.164 0.000 1.098 111 V CA 1.148 63.346 62.300 -0.170 0.000 1.121 111 V CB -0.620 31.127 31.823 -0.127 0.000 0.714 111 V HN 0.252 nan 8.190 nan 0.000 0.487 112 R N 0.835 121.243 120.500 -0.153 0.000 2.317 112 R HA 0.373 4.713 4.340 0.001 0.000 0.208 112 R C 1.604 177.656 176.300 -0.412 0.000 0.914 112 R CA 0.585 56.590 56.100 -0.158 0.000 1.060 112 R CB 0.368 30.702 30.300 0.057 0.000 1.015 112 R HN 0.732 nan 8.270 nan 0.000 0.498 113 G N 0.634 109.200 108.800 -0.391 0.000 2.141 113 G HA2 -0.280 3.681 3.960 0.001 0.000 0.231 113 G HA3 -0.280 3.681 3.960 0.001 0.000 0.231 113 G C -0.193 174.391 174.900 -0.527 0.000 0.984 113 G CA -0.388 44.444 45.100 -0.445 0.000 0.660 113 G HN 0.374 nan 8.290 nan 0.000 0.525 114 Y N 1.969 122.102 120.300 -0.277 0.000 2.903 114 Y HA 0.390 4.941 4.550 0.001 0.000 0.387 114 Y C 2.003 177.762 175.900 -0.234 0.000 1.189 114 Y CA 0.464 58.393 58.100 -0.285 0.000 1.856 114 Y CB -0.151 38.007 38.460 -0.503 0.000 1.917 114 Y HN 0.275 nan 8.280 nan 0.000 0.448 115 T N -3.632 110.894 114.554 -0.047 0.000 3.086 115 T HA 0.526 4.877 4.350 0.001 0.000 0.250 115 T C 1.006 175.865 174.700 0.266 0.000 1.074 115 T CA 0.335 62.476 62.100 0.069 0.000 0.988 115 T CB 0.333 69.207 68.868 0.011 0.000 0.988 115 T HN 0.513 nan 8.240 nan 0.000 0.530 116 G N -0.350 108.566 108.800 0.194 0.000 2.894 116 G HA2 0.558 4.519 3.960 0.001 0.000 0.164 116 G HA3 0.558 4.519 3.960 0.001 0.000 0.164 116 G C 0.506 175.473 174.900 0.112 0.000 1.180 116 G CA 0.020 45.210 45.100 0.149 0.000 0.997 116 G HN 0.681 nan 8.290 nan 0.000 0.572 117 G N -0.134 108.634 108.800 -0.054 0.000 2.652 117 G HA2 -0.286 3.675 3.960 0.001 0.000 0.318 117 G HA3 -0.286 3.675 3.960 0.001 0.000 0.318 117 G C 1.008 175.809 174.900 -0.165 0.000 1.295 117 G CA 1.350 46.334 45.100 -0.193 0.000 0.999 117 G HN 0.904 nan 8.290 nan 0.000 0.548 118 F N -0.956 119.060 119.950 0.109 0.000 2.259 118 F HA 0.142 4.670 4.527 0.001 0.000 0.298 118 F C 2.391 178.300 175.800 0.182 0.000 1.088 118 F CA 1.743 59.825 58.000 0.136 0.000 1.358 118 F CB -0.598 38.476 39.000 0.123 0.000 1.040 118 F HN 0.415 nan 8.300 nan 0.000 0.505 119 Y N 0.511 120.963 120.300 0.253 0.000 2.145 119 Y HA -0.219 4.332 4.550 0.001 0.000 0.286 119 Y C 2.354 178.374 175.900 0.200 0.000 1.145 119 Y CA 1.537 59.747 58.100 0.183 0.000 1.148 119 Y CB -0.611 37.938 38.460 0.149 0.000 0.981 119 Y HN -0.148 nan 8.280 nan 0.000 0.507 120 V N 0.139 120.224 119.914 0.286 0.000 2.667 120 V HA -0.232 3.889 4.120 0.001 0.000 0.252 120 V C 1.905 178.116 176.094 0.194 0.000 1.065 120 V CA 1.818 64.272 62.300 0.256 0.000 1.083 120 V CB -0.648 31.378 31.823 0.338 0.000 0.692 120 V HN 0.338 nan 8.190 nan 0.000 0.468 121 D N 0.977 121.480 120.400 0.170 0.000 2.104 121 D HA -0.172 4.469 4.640 0.001 0.000 0.194 121 D C 2.270 178.680 176.300 0.184 0.000 0.994 121 D CA 1.844 55.960 54.000 0.193 0.000 0.830 121 D CB -0.357 40.579 40.800 0.226 0.000 0.959 121 D HN 0.431 nan 8.370 nan 0.000 0.452 122 A N 0.598 123.504 122.820 0.144 0.000 1.877 122 A HA -0.135 4.186 4.320 0.001 0.000 0.216 122 A C 2.425 180.048 177.584 0.065 0.000 1.186 122 A CA 1.032 53.122 52.037 0.087 0.000 0.620 122 A CB -0.815 18.191 19.000 0.009 0.000 0.822 122 A HN 0.239 nan 8.150 nan 0.000 0.443 123 L N -0.846 120.394 121.223 0.029 0.000 2.083 123 L HA -0.206 4.135 4.340 0.001 0.000 0.209 123 L C 3.091 180.113 176.870 0.254 0.000 1.083 123 L CA 1.001 55.922 54.840 0.135 0.000 0.752 123 L CB -0.729 41.455 42.059 0.209 0.000 0.899 123 L HN 0.461 nan 8.230 nan 0.000 0.433 124 A N 0.399 123.356 122.820 0.229 0.000 1.883 124 A HA -0.195 4.126 4.320 0.001 0.000 0.217 124 A C 2.582 180.290 177.584 0.207 0.000 1.186 124 A CA 1.887 54.047 52.037 0.206 0.000 0.624 124 A CB -0.724 18.381 19.000 0.175 0.000 0.822 124 A HN 0.396 nan 8.150 nan 0.000 0.444 125 A N -0.334 122.609 122.820 0.205 0.000 1.902 125 A HA -0.056 4.265 4.320 0.001 0.000 0.217 125 A C 2.178 179.879 177.584 0.194 0.000 1.181 125 A CA 1.566 53.734 52.037 0.219 0.000 0.623 125 A CB -0.635 18.498 19.000 0.222 0.000 0.818 125 A HN 0.483 nan 8.150 nan 0.000 0.443 126 L N -0.869 120.454 121.223 0.166 0.000 2.093 126 L HA -0.182 4.159 4.340 0.001 0.000 0.208 126 L C 2.345 179.315 176.870 0.167 0.000 1.085 126 L CA 1.772 56.696 54.840 0.140 0.000 0.755 126 L CB -0.558 41.568 42.059 0.111 0.000 0.904 126 L HN 0.494 nan 8.230 nan 0.000 0.435 127 D N 0.396 120.930 120.400 0.224 0.000 2.117 127 D HA -0.163 4.478 4.640 0.001 0.000 0.198 127 D C 2.208 178.713 176.300 0.342 0.000 0.982 127 D CA 1.048 55.214 54.000 0.277 0.000 0.828 127 D CB 0.097 41.077 40.800 0.301 0.000 0.967 127 D HN 0.213 nan 8.370 nan 0.000 0.464 128 I N 0.541 121.282 120.570 0.285 0.000 2.179 128 I HA -0.240 3.931 4.170 0.001 0.000 0.242 128 I C 2.493 178.767 176.117 0.262 0.000 1.088 128 I CA 1.101 62.567 61.300 0.277 0.000 1.357 128 I CB -0.354 37.786 38.000 0.233 0.000 1.051 128 I HN 0.071 nan 8.210 nan 0.000 0.409 129 A N 0.508 123.454 122.820 0.211 0.000 1.902 129 A HA -0.207 4.114 4.320 0.001 0.000 0.217 129 A C 2.244 179.900 177.584 0.120 0.000 1.181 129 A CA 1.515 53.647 52.037 0.158 0.000 0.623 129 A CB -0.772 18.290 19.000 0.103 0.000 0.818 129 A HN 0.352 nan 8.150 nan 0.000 0.443 130 L N -1.829 119.452 121.223 0.097 0.000 2.056 130 L HA -0.066 4.275 4.340 0.001 0.000 0.207 130 L C 2.179 179.045 176.870 -0.008 0.000 1.078 130 L CA 1.632 56.474 54.840 0.004 0.000 0.749 130 L CB -0.667 41.352 42.059 -0.067 0.000 0.901 130 L HN 0.607 nan 8.230 nan 0.000 0.433 131 W N -0.253 121.084 121.300 0.062 0.000 2.374 131 W HA -0.210 4.450 4.660 0.001 0.000 0.288 131 W C 2.489 179.039 176.519 0.052 0.000 1.218 131 W CA 1.189 58.565 57.345 0.052 0.000 1.245 131 W CB -0.312 29.175 29.460 0.044 0.000 1.126 131 W HN 0.238 nan 8.180 nan 0.000 0.545 132 D N 0.480 121.052 120.400 0.287 0.000 2.104 132 D HA -0.196 4.445 4.640 0.001 0.000 0.194 132 D C 1.881 178.269 176.300 0.146 0.000 0.994 132 D CA 1.658 55.779 54.000 0.200 0.000 0.830 132 D CB -0.409 40.506 40.800 0.192 0.000 0.959 132 D HN 0.114 nan 8.370 nan 0.000 0.452 133 I N 0.588 121.221 120.570 0.105 0.000 2.163 133 I HA -0.279 3.892 4.170 0.001 0.000 0.243 133 I C 2.557 178.705 176.117 0.052 0.000 1.085 133 I CA 1.179 62.513 61.300 0.057 0.000 1.347 133 I CB -0.358 37.653 38.000 0.018 0.000 1.044 133 I HN 0.021 nan 8.210 nan 0.000 0.408 134 A N 0.888 123.735 122.820 0.044 0.000 1.908 134 A HA -0.183 4.138 4.320 0.001 0.000 0.218 134 A C 2.425 180.068 177.584 0.097 0.000 1.181 134 A CA 2.164 54.219 52.037 0.031 0.000 0.627 134 A CB -1.503 17.472 19.000 -0.041 0.000 0.818 134 A HN 0.485 nan 8.150 nan 0.000 0.445 135 G N -1.206 107.686 108.800 0.153 0.000 2.404 135 G HA2 -0.201 3.760 3.960 0.001 0.000 0.215 135 G HA3 -0.201 3.760 3.960 0.001 0.000 0.215 135 G C 1.605 176.562 174.900 0.095 0.000 1.174 135 G CA 0.929 46.114 45.100 0.141 0.000 0.780 135 G HN 0.622 nan 8.290 nan 0.000 0.537 136 Q N 0.103 119.955 119.800 0.087 0.000 2.077 136 Q HA -0.154 4.187 4.340 0.001 0.000 0.206 136 Q C 2.500 178.531 176.000 0.052 0.000 0.989 136 Q CA 1.606 57.450 55.803 0.067 0.000 0.853 136 Q CB -0.184 28.594 28.738 0.067 0.000 0.907 136 Q HN 0.599 nan 8.270 nan 0.000 0.418 137 E N 0.071 120.299 120.200 0.046 0.000 2.153 137 E HA -0.150 4.201 4.350 0.001 0.000 0.194 137 E C 1.693 178.315 176.600 0.036 0.000 0.988 137 E CA 0.897 57.317 56.400 0.033 0.000 0.811 137 E CB -0.044 29.669 29.700 0.022 0.000 0.746 137 E HN 0.333 nan 8.360 nan 0.000 0.466 138 A N 0.328 123.176 122.820 0.047 0.000 2.169 138 A HA 0.197 4.518 4.320 0.001 0.000 0.212 138 A C 1.716 179.328 177.584 0.047 0.000 1.153 138 A CA 0.747 52.813 52.037 0.049 0.000 0.756 138 A CB -0.324 18.715 19.000 0.065 0.000 0.813 138 A HN 0.307 nan 8.150 nan 0.000 0.471 139 G N -0.387 108.442 108.800 0.047 0.000 2.273 139 G HA2 -0.236 3.725 3.960 0.001 0.000 0.280 139 G HA3 -0.236 3.725 3.960 0.001 0.000 0.280 139 G C -0.110 174.818 174.900 0.047 0.000 1.047 139 G CA 0.730 45.856 45.100 0.043 0.000 0.869 139 G HN 0.421 nan 8.290 nan 0.000 0.502 140 K N 0.246 120.681 120.400 0.058 0.000 2.422 140 K HA 0.592 4.913 4.320 0.001 0.000 0.251 140 K C 0.597 177.237 176.600 0.068 0.000 0.933 140 K CA -0.126 56.197 56.287 0.060 0.000 0.798 140 K CB 1.826 34.367 32.500 0.069 0.000 1.238 140 K HN 0.558 nan 8.250 nan 0.000 0.428 141 S N 1.079 116.812 115.700 0.054 0.000 2.573 141 S HA 0.116 4.587 4.470 0.001 0.000 0.277 141 S C 1.675 176.311 174.600 0.060 0.000 1.346 141 S CA -0.366 57.864 58.200 0.051 0.000 1.034 141 S CB 0.224 63.443 63.200 0.032 0.000 0.879 141 S HN 0.558 nan 8.310 nan 0.000 0.528 142 I N 1.867 122.471 120.570 0.057 0.000 2.194 142 I HA -0.293 3.878 4.170 0.001 0.000 0.246 142 I C 2.887 178.983 176.117 -0.035 0.000 1.093 142 I CA 2.055 63.376 61.300 0.034 0.000 1.355 142 I CB -0.454 37.540 38.000 -0.010 0.000 1.046 142 I HN 0.820 nan 8.210 nan 0.000 0.413 143 R N 0.522 121.003 120.500 -0.031 0.000 2.096 143 R HA -0.189 4.152 4.340 0.001 0.000 0.235 143 R C 1.616 177.911 176.300 -0.009 0.000 1.127 143 R CA 1.799 57.878 56.100 -0.035 0.000 0.968 143 R CB -0.690 29.605 30.300 -0.008 0.000 0.861 143 R HN 0.262 nan 8.270 nan 0.000 0.440 144 D N 1.087 121.497 120.400 0.016 0.000 2.097 144 D HA -0.116 4.524 4.640 0.001 0.000 0.195 144 D C 1.901 178.228 176.300 0.045 0.000 0.989 144 D CA 0.856 54.874 54.000 0.030 0.000 0.827 144 D CB -0.191 40.631 40.800 0.037 0.000 0.966 144 D HN 0.122 nan 8.370 nan 0.000 0.456 145 L N 0.540 121.805 121.223 0.069 0.000 2.127 145 L HA -0.091 4.250 4.340 0.001 0.000 0.211 145 L C 1.932 178.868 176.870 0.110 0.000 1.089 145 L CA 1.209 56.124 54.840 0.125 0.000 0.757 145 L CB -0.290 41.901 42.059 0.220 0.000 0.899 145 L HN 0.064 nan 8.230 nan 0.000 0.434 146 L N -1.093 120.135 121.223 0.009 0.000 2.627 146 L HA 0.182 4.522 4.340 0.001 0.000 0.233 146 L C 1.393 178.257 176.870 -0.010 0.000 1.144 146 L CA 0.620 55.429 54.840 -0.052 0.000 0.892 146 L CB -0.580 41.367 42.059 -0.187 0.000 1.039 146 L HN 0.543 nan 8.230 nan 0.000 0.442 147 G N -0.776 108.034 108.800 0.017 0.000 2.184 147 G HA2 -0.040 3.920 3.960 0.001 0.000 0.206 147 G HA3 -0.040 3.920 3.960 0.001 0.000 0.206 147 G C 0.478 175.387 174.900 0.014 0.000 0.995 147 G CA -0.335 44.776 45.100 0.019 0.000 0.651 147 G HN 0.773 nan 8.290 nan 0.000 0.511 148 G N -1.545 107.262 108.800 0.011 0.000 2.906 148 G HA2 0.608 4.569 3.960 0.001 0.000 0.686 148 G HA3 0.608 4.569 3.960 0.001 0.000 0.686 148 G C 0.226 175.134 174.900 0.014 0.000 1.170 148 G CA 0.734 45.843 45.100 0.014 0.000 0.775 148 G HN 2.211 nan 8.290 nan 0.000 0.630 149 G N -0.691 108.122 108.800 0.022 0.000 2.694 149 G HA2 1.036 4.997 3.960 0.001 0.000 0.290 149 G HA3 1.036 4.997 3.960 0.001 0.000 0.290 149 G C 0.291 175.221 174.900 0.050 0.000 1.386 149 G CA 0.523 45.647 45.100 0.040 0.000 0.872 149 G HN 2.165 nan 8.290 nan 0.000 0.475 150 V N -1.712 118.250 119.914 0.080 0.000 3.376 150 V HA 0.380 4.501 4.120 0.001 0.000 0.303 150 V C 0.088 176.210 176.094 0.047 0.000 1.100 150 V CA 0.075 62.420 62.300 0.074 0.000 1.126 150 V CB 1.324 33.216 31.823 0.115 0.000 1.085 150 V HN 0.585 nan 8.190 nan 0.000 0.480 151 D N 0.497 120.892 120.400 -0.008 0.000 2.398 151 D HA 0.210 4.851 4.640 0.001 0.000 0.210 151 D C 0.552 176.740 176.300 -0.187 0.000 1.094 151 D CA 0.958 54.920 54.000 -0.063 0.000 0.839 151 D CB 0.716 41.498 40.800 -0.031 0.000 0.963 151 D HN 0.897 nan 8.370 nan 0.000 0.506 152 S N 0.008 115.572 115.700 -0.227 0.000 2.565 152 S HA 0.732 5.203 4.470 0.001 0.000 0.269 152 S C -1.016 173.429 174.600 -0.259 0.000 1.153 152 S CA -0.976 56.957 58.200 -0.446 0.000 0.835 152 S CB 1.804 64.696 63.200 -0.513 0.000 1.122 152 S HN 0.039 nan 8.310 nan 0.000 0.462 153 F N -3.017 116.882 119.950 -0.085 0.000 2.773 153 F HA 0.856 5.384 4.527 0.001 0.000 0.314 153 F C -3.509 172.297 175.800 0.010 0.000 1.160 153 F CA -2.470 55.521 58.000 -0.015 0.000 0.920 153 F CB -0.185 38.844 39.000 0.048 0.000 1.323 153 F HN 0.408 nan 8.300 nan 0.000 0.457 154 P HA 0.427 nan 4.420 nan 0.000 0.269 154 P C -1.122 176.397 177.300 0.364 0.000 1.209 154 P CA 0.149 63.377 63.100 0.213 0.000 0.776 154 P CB 0.846 32.653 31.700 0.178 0.000 0.876 155 A N 2.784 125.709 122.820 0.175 0.000 2.371 155 A HA 0.660 4.981 4.320 0.001 0.000 0.311 155 A C -1.381 176.408 177.584 0.341 0.000 1.068 155 A CA -0.556 51.618 52.037 0.229 0.000 0.744 155 A CB 0.642 19.481 19.000 -0.268 0.000 1.239 155 A HN 0.580 nan 8.150 nan 0.000 0.435 156 Y N 0.841 121.354 120.300 0.355 0.000 2.420 156 Y HA 0.689 5.240 4.550 0.001 0.000 0.334 156 Y C -0.468 175.556 175.900 0.208 0.000 1.094 156 Y CA -1.520 56.747 58.100 0.278 0.000 1.126 156 Y CB 0.872 39.590 38.460 0.430 0.000 1.217 156 Y HN 0.346 nan 8.280 nan 0.000 0.462 157 V N 3.623 123.607 119.914 0.116 0.000 2.508 157 V HA 0.261 4.381 4.120 0.001 0.000 0.281 157 V C 0.137 176.314 176.094 0.139 0.000 1.041 157 V CA 0.096 62.340 62.300 -0.093 0.000 1.016 157 V CB 0.618 32.272 31.823 -0.281 0.000 0.984 157 V HN 0.860 nan 8.190 nan 0.000 0.478 158 S N 3.237 118.928 115.700 -0.014 0.000 2.521 158 S HA 0.816 5.287 4.470 0.001 0.000 0.295 158 S C -0.186 174.413 174.600 -0.003 0.000 1.098 158 S CA 0.252 58.494 58.200 0.070 0.000 0.999 158 S CB 1.400 64.588 63.200 -0.020 0.000 1.034 158 S HN 1.907 nan 8.310 nan 0.000 0.483 159 G N 3.193 112.040 108.800 0.079 0.000 3.445 159 G HA2 -0.064 3.897 3.960 0.001 0.000 0.686 159 G HA3 -0.064 3.897 3.960 0.001 0.000 0.686 159 G C -1.129 173.873 174.900 0.170 0.000 1.113 159 G CA -0.661 44.463 45.100 0.040 0.000 0.974 159 G HN 0.867 nan 8.290 nan 0.000 0.492 160 L N 4.502 125.816 121.223 0.151 0.000 2.502 160 L HA 0.343 4.684 4.340 0.001 0.000 0.247 160 L C -1.804 175.134 176.870 0.113 0.000 1.180 160 L CA -1.743 53.196 54.840 0.164 0.000 0.956 160 L CB 1.851 44.000 42.059 0.150 0.000 1.282 160 L HN 0.372 nan 8.230 nan 0.000 0.470 161 P HA 0.190 nan 4.420 nan 0.000 0.237 161 P C -0.440 176.897 177.300 0.062 0.000 1.788 161 P CA 0.069 63.211 63.100 0.070 0.000 1.061 161 P CB 0.421 32.158 31.700 0.061 0.000 1.967 162 E N 0.890 121.119 120.200 0.049 0.000 2.312 162 E HA 0.256 4.607 4.350 0.001 0.000 0.267 162 E C 0.626 177.230 176.600 0.008 0.000 0.894 162 E CA -0.824 55.592 56.400 0.026 0.000 0.773 162 E CB 2.538 32.254 29.700 0.026 0.000 1.241 162 E HN 0.120 nan 8.360 nan 0.000 0.432 163 R N 0.378 120.877 120.500 -0.003 0.000 2.119 163 R HA -0.016 4.325 4.340 0.001 0.000 0.222 163 R C 0.855 177.144 176.300 -0.017 0.000 1.088 163 R CA 1.219 57.312 56.100 -0.012 0.000 0.984 163 R CB 0.195 30.486 30.300 -0.016 0.000 0.884 163 R HN 0.558 nan 8.270 nan 0.000 0.447 164 T N -2.922 111.620 114.554 -0.019 0.000 2.918 164 T HA 0.177 4.528 4.350 0.001 0.000 0.286 164 T C 1.048 175.726 174.700 -0.036 0.000 1.026 164 T CA -0.836 61.247 62.100 -0.027 0.000 1.031 164 T CB 1.903 70.754 68.868 -0.028 0.000 1.046 164 T HN 0.127 nan 8.240 nan 0.000 0.479 165 L N 1.153 122.346 121.223 -0.050 0.000 2.043 165 L HA -0.038 4.303 4.340 0.001 0.000 0.212 165 L C 2.691 179.517 176.870 -0.073 0.000 1.075 165 L CA 1.651 56.447 54.840 -0.074 0.000 0.752 165 L CB -0.391 41.613 42.059 -0.092 0.000 0.891 165 L HN 0.699 nan 8.230 nan 0.000 0.432 166 K N -0.070 120.295 120.400 -0.059 0.000 2.032 166 K HA -0.175 4.146 4.320 0.001 0.000 0.209 166 K C 1.995 178.570 176.600 -0.041 0.000 1.048 166 K CA 1.640 57.895 56.287 -0.053 0.000 0.927 166 K CB -0.356 32.119 32.500 -0.043 0.000 0.712 166 K HN 0.536 nan 8.250 nan 0.000 0.441 167 A N 1.104 123.905 122.820 -0.030 0.000 1.968 167 A HA -0.100 4.221 4.320 0.001 0.000 0.217 167 A C 2.123 179.704 177.584 -0.004 0.000 1.169 167 A CA 0.896 52.922 52.037 -0.017 0.000 0.638 167 A CB -0.291 18.701 19.000 -0.014 0.000 0.812 167 A HN 0.291 nan 8.150 nan 0.000 0.446 168 R N -0.743 119.751 120.500 -0.010 0.000 2.081 168 R HA -0.124 4.217 4.340 0.001 0.000 0.235 168 R C 2.341 178.634 176.300 -0.011 0.000 1.131 168 R CA 1.259 57.361 56.100 0.003 0.000 0.960 168 R CB -0.580 29.713 30.300 -0.013 0.000 0.856 168 R HN 0.524 nan 8.270 nan 0.000 0.436 169 G N 1.013 109.781 108.800 -0.052 0.000 2.408 169 G HA2 -0.212 3.749 3.960 0.001 0.000 0.217 169 G HA3 -0.212 3.749 3.960 0.001 0.000 0.217 169 G C 1.211 176.087 174.900 -0.040 0.000 1.150 169 G CA 0.257 45.310 45.100 -0.077 0.000 0.776 169 G HN 0.209 nan 8.290 nan 0.000 0.542 170 E N 0.071 120.262 120.200 -0.015 0.000 2.106 170 E HA -0.066 4.284 4.350 0.001 0.000 0.192 170 E C 2.470 179.107 176.600 0.061 0.000 0.984 170 E CA 0.436 56.841 56.400 0.009 0.000 0.806 170 E CB -0.298 29.400 29.700 -0.004 0.000 0.750 170 E HN 0.351 nan 8.360 nan 0.000 0.458 171 L N 1.027 122.297 121.223 0.079 0.000 2.046 171 L HA -0.101 4.240 4.340 0.001 0.000 0.208 171 L C 2.236 179.290 176.870 0.307 0.000 1.077 171 L CA 1.815 56.763 54.840 0.180 0.000 0.747 171 L CB -0.709 41.457 42.059 0.177 0.000 0.896 171 L HN 0.027 nan 8.230 nan 0.000 0.432 172 A N -1.005 121.916 122.820 0.167 0.000 1.898 172 A HA -0.245 4.076 4.320 0.001 0.000 0.216 172 A C 2.447 180.076 177.584 0.075 0.000 1.181 172 A CA 1.839 53.935 52.037 0.100 0.000 0.620 172 A CB -0.529 18.341 19.000 -0.215 0.000 0.819 172 A HN 0.439 nan 8.150 nan 0.000 0.442 173 K N -1.731 118.684 120.400 0.026 0.000 2.097 173 K HA -0.187 4.134 4.320 0.001 0.000 0.205 173 K C 1.901 178.557 176.600 0.093 0.000 1.050 173 K CA 1.546 57.850 56.287 0.028 0.000 0.938 173 K CB -0.364 32.137 32.500 0.002 0.000 0.718 173 K HN 0.531 nan 8.250 nan 0.000 0.442 174 Y N -0.080 120.211 120.300 -0.016 0.000 2.128 174 Y HA -0.279 4.272 4.550 0.002 0.000 0.284 174 Y C 1.579 177.373 175.900 -0.176 0.000 1.154 174 Y CA 2.079 60.100 58.100 -0.132 0.000 1.149 174 Y CB -0.503 37.820 38.460 -0.228 0.000 0.976 174 Y HN 0.148 nan 8.280 nan 0.000 0.505 175 W N 0.756 122.095 121.300 0.066 0.000 2.388 175 W HA -0.165 4.496 4.660 0.001 0.000 0.294 175 W C 2.780 179.438 176.519 0.232 0.000 1.212 175 W CA 1.669 59.035 57.345 0.036 0.000 1.271 175 W CB -0.629 28.845 29.460 0.024 0.000 1.126 175 W HN 0.145 nan 8.180 nan 0.000 0.535 176 Q N 0.478 120.594 119.800 0.526 0.000 2.096 176 Q HA -0.234 4.107 4.340 0.001 0.000 0.204 176 Q C 1.391 177.511 176.000 0.200 0.000 0.982 176 Q CA 1.957 58.045 55.803 0.474 0.000 0.850 176 Q CB -0.255 28.691 28.738 0.347 0.000 0.901 176 Q HN 0.139 nan 8.270 nan 0.000 0.422 177 D N -0.220 120.205 120.400 0.041 0.000 2.264 177 D HA -0.099 4.541 4.640 0.001 0.000 0.208 177 D C 1.205 177.441 176.300 -0.107 0.000 0.966 177 D CA 0.820 54.783 54.000 -0.061 0.000 0.864 177 D CB -0.017 40.703 40.800 -0.133 0.000 0.933 177 D HN 0.253 nan 8.370 nan 0.000 0.499 178 R N -0.583 119.850 120.500 -0.112 0.000 2.310 178 R HA 0.213 4.554 4.340 0.001 0.000 0.202 178 R C 1.097 177.455 176.300 0.097 0.000 0.933 178 R CA 0.525 56.600 56.100 -0.041 0.000 1.054 178 R CB 0.473 30.717 30.300 -0.094 0.000 0.985 178 R HN 0.123 nan 8.270 nan 0.000 0.489 179 G N 0.286 109.142 108.800 0.093 0.000 2.148 179 G HA2 -0.245 3.716 3.960 0.001 0.000 0.203 179 G HA3 -0.245 3.716 3.960 0.001 0.000 0.203 179 G C -0.069 174.738 174.900 -0.156 0.000 0.993 179 G CA -0.665 44.404 45.100 -0.052 0.000 0.661 179 G HN 0.180 nan 8.290 nan 0.000 0.518 180 F N 1.537 121.502 119.950 0.025 0.000 2.384 180 F HA 0.455 4.983 4.527 0.002 0.000 0.338 180 F C 1.501 177.243 175.800 -0.097 0.000 1.103 180 F CA -0.067 57.884 58.000 -0.081 0.000 1.157 180 F CB 1.039 39.974 39.000 -0.108 0.000 1.167 180 F HN 0.152 nan 8.300 nan 0.000 0.529 181 N N 1.185 119.844 118.700 -0.068 0.000 2.159 181 N HA 0.309 5.049 4.740 0.001 0.000 0.217 181 N C -0.603 174.831 175.510 -0.126 0.000 1.223 181 N CA 0.000 53.052 53.050 0.003 0.000 0.896 181 N CB 0.933 39.411 38.487 -0.016 0.000 1.064 181 N HN 0.439 nan 8.380 nan 0.000 0.518 182 A N 0.496 123.048 122.820 -0.446 0.000 2.393 182 A HA 0.762 5.083 4.320 0.001 0.000 0.306 182 A C -1.688 175.640 177.584 -0.427 0.000 1.050 182 A CA -0.479 51.341 52.037 -0.363 0.000 0.724 182 A CB 1.184 19.951 19.000 -0.388 0.000 1.248 182 A HN 0.124 nan 8.150 nan 0.000 0.424 183 F N 0.437 120.575 119.950 0.314 0.000 2.631 183 F HA 0.686 5.214 4.527 0.001 0.000 0.308 183 F C -0.040 175.962 175.800 0.335 0.000 1.097 183 F CA -0.536 57.673 58.000 0.348 0.000 0.952 183 F CB 2.636 41.772 39.000 0.227 0.000 1.307 183 F HN 0.586 nan 8.300 nan 0.000 0.450 184 K N 2.350 123.054 120.400 0.507 0.000 2.468 184 K HA 0.661 4.982 4.320 0.001 0.000 0.252 184 K C -1.830 174.943 176.600 0.289 0.000 0.932 184 K CA -0.612 55.829 56.287 0.257 0.000 0.794 184 K CB 2.079 34.691 32.500 0.187 0.000 1.241 184 K HN 0.565 nan 8.250 nan 0.000 0.428 185 F N 0.877 120.872 119.950 0.074 0.000 2.579 185 F HA 0.821 5.348 4.527 0.001 0.000 0.324 185 F C -1.009 174.805 175.800 0.023 0.000 1.058 185 F CA -1.109 56.922 58.000 0.052 0.000 0.944 185 F CB 1.568 40.581 39.000 0.022 0.000 1.245 185 F HN 0.428 nan 8.300 nan 0.000 0.477 186 A N 1.593 124.461 122.820 0.079 0.000 2.276 186 A HA 0.453 4.774 4.320 0.001 0.000 0.316 186 A C 0.980 178.589 177.584 0.041 0.000 1.229 186 A CA 0.021 52.030 52.037 -0.046 0.000 0.851 186 A CB 0.387 19.375 19.000 -0.021 0.000 1.165 186 A HN 1.091 nan 8.150 nan 0.000 0.513 187 T N 0.310 114.826 114.554 -0.064 0.000 2.833 187 T HA -0.066 4.285 4.350 0.001 0.000 0.269 187 T C -0.692 174.035 174.700 0.045 0.000 1.054 187 T CA 1.698 63.838 62.100 0.066 0.000 1.135 187 T CB -1.289 67.579 68.868 0.000 0.000 0.869 187 T HN 0.455 nan 8.240 nan 0.000 0.466 188 P HA 0.062 nan 4.420 nan 0.000 0.220 188 P C 1.608 178.896 177.300 -0.021 0.000 1.148 188 P CA 0.353 63.428 63.100 -0.042 0.000 0.803 188 P CB -0.283 31.345 31.700 -0.120 0.000 0.782 189 V N -0.318 119.593 119.914 -0.005 0.000 2.626 189 V HA -0.114 4.007 4.120 0.001 0.000 0.252 189 V C 1.384 177.490 176.094 0.020 0.000 1.067 189 V CA 1.284 63.591 62.300 0.012 0.000 1.081 189 V CB -1.587 30.260 31.823 0.040 0.000 0.686 189 V HN 0.090 nan 8.190 nan 0.000 0.468 190 A N 0.415 123.262 122.820 0.045 0.000 2.437 190 A HA 0.158 4.478 4.320 0.001 0.000 0.303 190 A C 1.183 178.767 177.584 -0.001 0.000 1.324 190 A CA -0.214 51.832 52.037 0.016 0.000 0.983 190 A CB -0.207 18.823 19.000 0.051 0.000 1.142 190 A HN 0.321 nan 8.150 nan 0.000 0.541 191 D N 1.469 121.859 120.400 -0.017 0.000 2.117 191 D HA -0.121 4.520 4.640 0.001 0.000 0.197 191 D C 0.612 176.903 176.300 -0.015 0.000 0.987 191 D CA 1.421 55.412 54.000 -0.015 0.000 0.829 191 D CB 0.185 40.973 40.800 -0.020 0.000 0.961 191 D HN 0.658 nan 8.370 nan 0.000 0.460 192 D N 0.054 120.437 120.400 -0.028 0.000 2.328 192 D HA 0.227 4.868 4.640 0.001 0.000 0.226 192 D C 1.135 177.423 176.300 -0.020 0.000 1.066 192 D CA 0.330 54.314 54.000 -0.026 0.000 0.861 192 D CB 1.028 41.803 40.800 -0.042 0.000 0.912 192 D HN 0.190 nan 8.370 nan 0.000 0.521 193 G N 2.072 110.866 108.800 -0.010 0.000 2.612 193 G HA2 -0.172 3.789 3.960 0.001 0.000 0.686 193 G HA3 -0.172 3.789 3.960 0.001 0.000 0.686 193 G C -2.236 172.675 174.900 0.018 0.000 1.274 193 G CA -0.684 44.425 45.100 0.014 0.000 0.849 193 G HN -0.195 nan 8.290 nan 0.000 0.595 194 P HA -0.054 nan 4.420 nan 0.000 0.218 194 P C 1.987 179.331 177.300 0.074 0.000 1.149 194 P CA 2.454 65.671 63.100 0.194 0.000 0.817 194 P CB -0.066 31.777 31.700 0.238 0.000 0.785 195 A N 0.759 123.602 122.820 0.040 0.000 1.877 195 A HA -0.039 4.282 4.320 0.001 0.000 0.216 195 A C 2.505 179.966 177.584 -0.204 0.000 1.186 195 A CA 2.164 54.201 52.037 -0.000 0.000 0.620 195 A CB -1.517 17.540 19.000 0.095 0.000 0.822 195 A HN 0.230 nan 8.150 nan 0.000 0.443 196 A N -0.565 122.156 122.820 -0.165 0.000 1.930 196 A HA -0.089 4.232 4.320 0.001 0.000 0.217 196 A C 1.946 179.337 177.584 -0.323 0.000 1.175 196 A CA 1.989 53.892 52.037 -0.224 0.000 0.627 196 A CB -0.423 18.497 19.000 -0.132 0.000 0.815 196 A HN 0.551 nan 8.150 nan 0.000 0.443 197 E N 0.030 120.021 120.200 -0.347 0.000 2.031 197 E HA -0.143 4.208 4.350 0.001 0.000 0.193 197 E C 1.768 177.938 176.600 -0.716 0.000 0.994 197 E CA 1.405 57.480 56.400 -0.542 0.000 0.800 197 E CB -0.305 28.983 29.700 -0.686 0.000 0.752 197 E HN 0.583 nan 8.360 nan 0.000 0.447 198 I N -0.258 119.888 120.570 -0.705 0.000 2.315 198 I HA -0.221 3.949 4.170 0.001 0.000 0.248 198 I C 2.057 177.837 176.117 -0.562 0.000 1.117 198 I CA 1.131 62.123 61.300 -0.513 0.000 1.404 198 I CB -0.192 37.756 38.000 -0.086 0.000 1.071 198 I HN 0.250 nan 8.210 nan 0.000 0.419 199 A N 0.825 123.081 122.820 -0.940 0.000 1.873 199 A HA -0.344 3.977 4.320 0.001 0.000 0.218 199 A C 2.041 179.333 177.584 -0.486 0.000 1.193 199 A CA 2.526 53.888 52.037 -1.126 0.000 0.629 199 A CB -1.155 17.181 19.000 -1.108 0.000 0.826 199 A HN 0.593 nan 8.150 nan 0.000 0.447 200 N N -0.173 118.291 118.700 -0.392 0.000 2.058 200 N HA -0.108 4.633 4.740 0.001 0.000 0.191 200 N C 1.608 176.978 175.510 -0.233 0.000 1.037 200 N CA 1.834 54.727 53.050 -0.261 0.000 0.848 200 N CB -0.385 37.961 38.487 -0.235 0.000 1.021 200 N HN 0.467 nan 8.380 nan 0.000 0.422 201 L N -0.232 120.821 121.223 -0.283 0.000 2.012 201 L HA -0.176 4.165 4.340 0.001 0.000 0.210 201 L C 2.593 179.358 176.870 -0.175 0.000 1.073 201 L CA 1.238 55.932 54.840 -0.242 0.000 0.748 201 L CB -0.464 41.434 42.059 -0.268 0.000 0.891 201 L HN 0.218 nan 8.230 nan 0.000 0.431 202 R N 0.167 120.584 120.500 -0.139 0.000 2.091 202 R HA -0.194 4.147 4.340 0.001 0.000 0.238 202 R C 2.272 178.551 176.300 -0.034 0.000 1.136 202 R CA 1.614 57.690 56.100 -0.039 0.000 0.959 202 R CB -0.590 29.746 30.300 0.060 0.000 0.856 202 R HN 0.352 nan 8.270 nan 0.000 0.437 203 Q N -0.164 119.599 119.800 -0.062 0.000 2.046 203 Q HA -0.100 4.241 4.340 0.001 0.000 0.200 203 Q C 1.953 177.919 176.000 -0.056 0.000 0.975 203 Q CA 2.094 57.871 55.803 -0.043 0.000 0.836 203 Q CB -0.027 28.677 28.738 -0.057 0.000 0.896 203 Q HN 0.301 nan 8.270 nan 0.000 0.428 204 V N 1.136 120.997 119.914 -0.088 0.000 2.295 204 V HA -0.267 3.853 4.120 0.001 0.000 0.246 204 V C 2.344 178.385 176.094 -0.090 0.000 1.049 204 V CA 1.595 63.841 62.300 -0.090 0.000 1.024 204 V CB -0.413 31.341 31.823 -0.114 0.000 0.648 204 V HN 0.334 nan 8.190 nan 0.000 0.447 205 L N -0.727 120.425 121.223 -0.118 0.000 2.446 205 L HA 0.426 4.767 4.340 0.001 0.000 0.219 205 L C 1.128 177.975 176.870 -0.038 0.000 1.116 205 L CA 0.677 55.447 54.840 -0.116 0.000 0.844 205 L CB -0.496 41.422 42.059 -0.236 0.000 0.970 205 L HN 0.547 nan 8.230 nan 0.000 0.457 206 G N 0.318 109.103 108.800 -0.024 0.000 2.707 206 G HA2 -0.162 3.799 3.960 0.001 0.000 0.686 206 G HA3 -0.162 3.799 3.960 0.001 0.000 0.686 206 G C -2.307 172.604 174.900 0.018 0.000 1.315 206 G CA -0.337 44.765 45.100 0.003 0.000 0.832 206 G HN -0.031 nan 8.290 nan 0.000 0.573 207 P HA -0.013 nan 4.420 nan 0.000 0.229 207 P C 1.292 178.607 177.300 0.025 0.000 1.160 207 P CA 1.186 64.303 63.100 0.029 0.000 0.777 207 P CB 0.203 31.917 31.700 0.023 0.000 0.814 208 Q N 0.025 119.838 119.800 0.022 0.000 2.331 208 Q HA 0.182 4.523 4.340 0.001 0.000 0.203 208 Q C 1.131 177.141 176.000 0.017 0.000 0.944 208 Q CA 0.304 56.114 55.803 0.013 0.000 0.892 208 Q CB -0.674 28.071 28.738 0.013 0.000 0.983 208 Q HN 0.189 nan 8.270 nan 0.000 0.482 209 A N 1.163 124.016 122.820 0.055 0.000 2.445 209 A HA 0.145 4.466 4.320 0.001 0.000 0.242 209 A C -0.286 177.333 177.584 0.058 0.000 1.075 209 A CA -0.079 52.031 52.037 0.122 0.000 0.777 209 A CB 0.293 19.402 19.000 0.181 0.000 1.013 209 A HN 0.072 nan 8.150 nan 0.000 0.493 210 K N 1.516 121.907 120.400 -0.016 0.000 2.227 210 K HA 0.510 4.831 4.320 0.001 0.000 0.280 210 K C -1.167 175.517 176.600 0.140 0.000 1.041 210 K CA 0.157 56.329 56.287 -0.191 0.000 0.905 210 K CB 1.006 32.923 32.500 -0.972 0.000 1.068 210 K HN 0.594 nan 8.250 nan 0.000 0.470 211 I N 2.675 123.391 120.570 0.244 0.000 2.476 211 I HA 0.252 4.423 4.170 0.001 0.000 0.281 211 I C -0.297 175.955 176.117 0.224 0.000 1.040 211 I CA -0.663 60.824 61.300 0.311 0.000 1.094 211 I CB 1.771 39.912 38.000 0.236 0.000 1.219 211 I HN 0.573 nan 8.210 nan 0.000 0.450 212 A N 4.648 127.495 122.820 0.044 0.000 2.282 212 A HA 0.920 5.241 4.320 0.001 0.000 0.319 212 A C -0.162 177.117 177.584 -0.509 0.000 1.121 212 A CA -0.513 51.188 52.037 -0.561 0.000 0.836 212 A CB 1.214 19.101 19.000 -1.856 0.000 1.146 212 A HN 0.764 nan 8.150 nan 0.000 0.494 213 A N 1.244 123.689 122.820 -0.625 0.000 2.291 213 A HA 0.559 4.880 4.320 0.001 0.000 0.311 213 A C -0.842 176.404 177.584 -0.564 0.000 1.224 213 A CA -0.458 51.075 52.037 -0.841 0.000 0.821 213 A CB 0.478 19.126 19.000 -0.586 0.000 1.172 213 A HN 0.772 nan 8.150 nan 0.000 0.494 214 D N 3.172 123.247 120.400 -0.541 0.000 2.365 214 D HA 0.311 4.951 4.640 0.001 0.000 0.237 214 D C 0.772 176.898 176.300 -0.291 0.000 1.190 214 D CA -0.023 53.786 54.000 -0.318 0.000 0.867 214 D CB 0.474 41.179 40.800 -0.158 0.000 1.050 214 D HN 0.482 nan 8.370 nan 0.000 0.491 215 M N 1.857 121.273 119.600 -0.307 0.000 2.595 215 M HA 0.009 4.490 4.480 0.001 0.000 0.248 215 M C 0.246 176.416 176.300 -0.217 0.000 1.119 215 M CA 0.086 55.243 55.300 -0.238 0.000 1.079 215 M CB -0.213 32.253 32.600 -0.224 0.000 1.472 215 M HN 0.575 nan 8.290 nan 0.000 0.501 216 H N -1.072 117.664 119.070 -0.556 0.000 2.791 216 H HA -0.233 4.324 4.556 0.001 0.000 0.302 216 H C -0.245 174.960 175.328 -0.204 0.000 1.198 216 H CA 1.287 57.034 56.048 -0.502 0.000 1.145 216 H CB -1.149 28.537 29.762 -0.127 0.000 1.385 216 H HN 0.653 nan 8.280 nan 0.000 0.409 217 W N -3.766 117.351 121.300 -0.304 0.000 0.780 217 W HA -0.377 4.284 4.660 0.001 0.000 0.218 217 W C 1.371 177.275 176.519 -1.025 0.000 0.923 217 W CA 1.232 58.219 57.345 -0.596 0.000 0.346 217 W CB -2.001 27.091 29.460 -0.613 0.000 1.917 217 W HN 0.522 nan 8.180 nan 0.000 1.347 218 N N 2.822 121.162 118.700 -0.599 0.000 3.243 218 N HA 0.201 4.942 4.740 0.001 0.000 0.310 218 N C -0.448 174.915 175.510 -0.245 0.000 1.313 218 N CA 0.964 53.633 53.050 -0.635 0.000 1.204 218 N CB -0.203 38.195 38.487 -0.149 0.000 1.483 218 N HN 0.196 nan 8.380 nan 0.000 0.553 219 Q N -0.723 118.905 119.800 -0.288 0.000 2.389 219 Q HA 0.325 4.666 4.340 0.001 0.000 0.277 219 Q C -0.510 175.484 176.000 -0.010 0.000 1.082 219 Q CA -0.632 55.121 55.803 -0.083 0.000 0.810 219 Q CB 1.722 30.410 28.738 -0.083 0.000 1.374 219 Q HN 0.193 nan 8.270 nan 0.000 0.422 220 T N 1.913 116.510 114.554 0.073 0.000 2.906 220 T HA 0.072 4.422 4.350 0.001 0.000 0.320 220 T C -1.523 173.206 174.700 0.049 0.000 1.088 220 T CA -1.155 60.998 62.100 0.089 0.000 1.120 220 T CB 0.318 69.238 68.868 0.087 0.000 1.000 220 T HN 0.353 nan 8.240 nan 0.000 0.550 221 P HA -0.088 nan 4.420 nan 0.000 0.216 221 P C 1.029 178.344 177.300 0.025 0.000 1.150 221 P CA 1.258 64.379 63.100 0.035 0.000 0.843 221 P CB 0.196 31.921 31.700 0.043 0.000 0.787 222 E N -0.613 119.606 120.200 0.032 0.000 2.047 222 E HA -0.167 4.184 4.350 0.001 0.000 0.191 222 E C 2.243 178.858 176.600 0.024 0.000 0.987 222 E CA 0.978 57.395 56.400 0.027 0.000 0.799 222 E CB -0.635 29.083 29.700 0.031 0.000 0.752 222 E HN -0.002 nan 8.360 nan 0.000 0.449 223 R N 0.970 121.485 120.500 0.026 0.000 2.081 223 R HA -0.019 4.322 4.340 0.001 0.000 0.235 223 R C 1.990 178.296 176.300 0.010 0.000 1.131 223 R CA 1.663 57.776 56.100 0.022 0.000 0.960 223 R CB -0.902 29.414 30.300 0.027 0.000 0.856 223 R HN 0.183 nan 8.270 nan 0.000 0.436 224 A N 0.652 123.471 122.820 -0.001 0.000 1.873 224 A HA -0.190 4.131 4.320 0.001 0.000 0.218 224 A C 2.318 179.899 177.584 -0.006 0.000 1.193 224 A CA 1.923 53.950 52.037 -0.018 0.000 0.629 224 A CB -0.884 18.097 19.000 -0.032 0.000 0.826 224 A HN 0.371 nan 8.150 nan 0.000 0.447 225 L N -0.932 120.294 121.223 0.004 0.000 2.042 225 L HA -0.236 4.104 4.340 0.001 0.000 0.210 225 L C 2.638 179.518 176.870 0.016 0.000 1.076 225 L CA 1.788 56.634 54.840 0.009 0.000 0.749 225 L CB -0.607 41.459 42.059 0.012 0.000 0.893 225 L HN 0.493 nan 8.230 nan 0.000 0.432 226 E N 0.053 120.264 120.200 0.018 0.000 2.058 226 E HA -0.238 4.113 4.350 0.001 0.000 0.194 226 E C 2.320 178.939 176.600 0.031 0.000 0.997 226 E CA 1.239 57.654 56.400 0.024 0.000 0.801 226 E CB -0.153 29.562 29.700 0.025 0.000 0.746 226 E HN 0.452 nan 8.360 nan 0.000 0.450 227 L N 0.468 121.708 121.223 0.028 0.000 2.109 227 L HA -0.138 4.203 4.340 0.001 0.000 0.207 227 L C 2.394 179.293 176.870 0.049 0.000 1.086 227 L CA 0.680 55.544 54.840 0.039 0.000 0.760 227 L CB -0.242 41.832 42.059 0.026 0.000 0.910 227 L HN 0.163 nan 8.230 nan 0.000 0.437 228 I N -0.047 120.541 120.570 0.030 0.000 2.226 228 I HA -0.286 3.885 4.170 0.001 0.000 0.245 228 I C 2.817 178.962 176.117 0.046 0.000 1.100 228 I CA 1.140 62.461 61.300 0.034 0.000 1.374 228 I CB -0.455 37.554 38.000 0.014 0.000 1.057 228 I HN 0.197 nan 8.210 nan 0.000 0.413 229 A N 0.404 123.246 122.820 0.037 0.000 1.908 229 A HA -0.265 4.056 4.320 0.001 0.000 0.218 229 A C 2.216 179.829 177.584 0.047 0.000 1.181 229 A CA 1.911 53.968 52.037 0.032 0.000 0.627 229 A CB -0.635 18.379 19.000 0.023 0.000 0.818 229 A HN 0.458 nan 8.150 nan 0.000 0.445 230 E N -1.015 119.227 120.200 0.070 0.000 2.150 230 E HA -0.128 4.223 4.350 0.001 0.000 0.193 230 E C 1.998 178.713 176.600 0.193 0.000 0.985 230 E CA 1.305 57.771 56.400 0.110 0.000 0.814 230 E CB -0.178 29.584 29.700 0.104 0.000 0.752 230 E HN 0.681 nan 8.360 nan 0.000 0.466 231 M N 0.180 119.891 119.600 0.184 0.000 2.388 231 M HA -0.097 4.384 4.480 0.001 0.000 0.265 231 M C 2.248 178.692 176.300 0.239 0.000 1.088 231 M CA 0.754 56.222 55.300 0.279 0.000 1.134 231 M CB 0.119 32.847 32.600 0.214 0.000 1.384 231 M HN -0.006 nan 8.290 nan 0.000 0.447 232 Q N 1.460 121.323 119.800 0.104 0.000 2.170 232 Q HA -0.077 4.264 4.340 0.001 0.000 0.203 232 Q C -1.034 174.937 176.000 -0.048 0.000 0.976 232 Q CA 1.687 57.516 55.803 0.043 0.000 0.858 232 Q CB -1.963 26.792 28.738 0.027 0.000 0.907 232 Q HN 0.227 nan 8.270 nan 0.000 0.433 233 P HA -0.106 nan 4.420 nan 0.000 0.223 233 P C -0.231 176.731 177.300 -0.564 0.000 1.144 233 P CA 1.032 63.860 63.100 -0.454 0.000 0.783 233 P CB -0.102 31.159 31.700 -0.732 0.000 0.771 234 F N -1.864 118.100 119.950 0.023 0.000 2.639 234 F HA 0.228 4.756 4.527 0.002 0.000 0.302 234 F C 0.356 176.178 175.800 0.036 0.000 1.097 234 F CA -0.643 57.370 58.000 0.021 0.000 1.294 234 F CB -0.751 38.257 39.000 0.014 0.000 1.027 234 F HN -0.183 nan 8.300 nan 0.000 0.550 235 D N 1.406 121.883 120.400 0.128 0.000 2.848 235 D HA -0.135 4.506 4.640 0.001 0.000 0.245 235 D C -2.522 173.867 176.300 0.148 0.000 1.122 235 D CA -0.120 53.946 54.000 0.110 0.000 0.769 235 D CB -0.219 40.633 40.800 0.085 0.000 1.025 235 D HN 0.101 nan 8.370 nan 0.000 0.423 236 P HA -0.011 nan 4.420 nan 0.000 0.271 236 P C 0.734 178.138 177.300 0.173 0.000 1.220 236 P CA -0.401 62.786 63.100 0.144 0.000 0.768 236 P CB 0.648 32.408 31.700 0.100 0.000 0.848 237 W N 6.688 127.941 121.300 -0.079 0.000 2.354 237 W HA -0.080 4.581 4.660 0.001 0.000 0.315 237 W C 0.059 176.592 176.519 0.024 0.000 1.206 237 W CA 1.263 58.567 57.345 -0.068 0.000 1.290 237 W CB -0.638 28.713 29.460 -0.180 0.000 1.152 237 W HN 0.398 nan 8.180 nan 0.000 0.489 238 F N -2.219 117.661 119.950 -0.117 0.000 2.686 238 F HA 0.719 5.247 4.527 0.001 0.000 0.311 238 F C -0.871 174.798 175.800 -0.219 0.000 1.128 238 F CA -2.077 55.774 58.000 -0.248 0.000 0.946 238 F CB 0.332 39.045 39.000 -0.477 0.000 1.336 238 F HN -0.048 nan 8.300 nan 0.000 0.457 239 A N 1.472 124.339 122.820 0.078 0.000 2.258 239 A HA 0.563 4.884 4.320 0.001 0.000 0.316 239 A C -0.701 176.882 177.584 -0.000 0.000 1.279 239 A CA -0.487 51.533 52.037 -0.027 0.000 0.876 239 A CB 0.626 19.599 19.000 -0.045 0.000 1.170 239 A HN 0.875 nan 8.150 nan 0.000 0.520 240 E N 2.576 122.747 120.200 -0.049 0.000 2.204 240 E HA 0.524 4.875 4.350 0.001 0.000 0.276 240 E C 0.251 176.648 176.600 -0.337 0.000 0.974 240 E CA -0.087 56.226 56.400 -0.145 0.000 0.815 240 E CB 1.096 30.762 29.700 -0.056 0.000 1.119 240 E HN 1.839 nan 8.360 nan 0.000 0.393 241 A N 4.778 127.355 122.820 -0.405 0.000 2.519 241 A HA -0.110 4.211 4.320 0.001 0.000 0.297 241 A C -1.754 175.553 177.584 -0.462 0.000 1.472 241 A CA 0.500 52.180 52.037 -0.594 0.000 0.739 241 A CB -1.388 16.788 19.000 -1.373 0.000 1.096 241 A HN 0.748 nan 8.150 nan 0.000 0.414 242 P HA 0.030 nan 4.420 nan 0.000 0.221 242 P C 0.765 177.970 177.300 -0.157 0.000 1.150 242 P CA 2.007 65.001 63.100 -0.178 0.000 0.800 242 P CB -0.283 31.356 31.700 -0.102 0.000 0.787 243 V N -6.006 113.846 119.914 -0.104 0.000 3.167 243 V HA 0.534 4.655 4.120 0.001 0.000 0.310 243 V C -0.790 175.342 176.094 0.063 0.000 1.207 243 V CA -1.989 60.271 62.300 -0.066 0.000 1.059 243 V CB 0.709 32.558 31.823 0.044 0.000 1.079 243 V HN -0.128 nan 8.190 nan 0.000 0.446 244 W N 0.522 121.941 121.300 0.198 0.000 2.209 244 W HA 0.351 5.011 4.660 0.001 0.000 0.344 244 W C 1.882 178.498 176.519 0.161 0.000 1.285 244 W CA 0.746 58.199 57.345 0.180 0.000 1.267 244 W CB 0.047 29.548 29.460 0.069 0.000 1.167 244 W HN 0.793 nan 8.180 nan 0.000 0.574 245 T N 1.533 116.313 114.554 0.377 0.000 2.699 245 T HA -0.265 4.086 4.350 0.001 0.000 0.268 245 T C 1.180 175.995 174.700 0.191 0.000 1.036 245 T CA 1.922 64.171 62.100 0.248 0.000 1.147 245 T CB -0.151 68.779 68.868 0.103 0.000 0.862 245 T HN 0.433 nan 8.240 nan 0.000 0.446 246 E N 0.951 121.241 120.200 0.150 0.000 2.347 246 E HA -0.008 4.343 4.350 0.001 0.000 0.196 246 E C 0.854 177.508 176.600 0.090 0.000 1.008 246 E CA 0.409 56.854 56.400 0.076 0.000 0.852 246 E CB -0.044 29.662 29.700 0.010 0.000 0.783 246 E HN 0.277 nan 8.360 nan 0.000 0.505 247 D N 0.235 120.726 120.400 0.152 0.000 2.713 247 D HA 0.095 4.735 4.640 0.001 0.000 0.229 247 D C 0.599 176.965 176.300 0.111 0.000 1.136 247 D CA -0.025 54.056 54.000 0.136 0.000 1.010 247 D CB -0.320 40.603 40.800 0.204 0.000 1.084 247 D HN 0.095 nan 8.370 nan 0.000 0.495 248 I N 0.885 121.502 120.570 0.078 0.000 2.286 248 I HA -0.245 3.926 4.170 0.001 0.000 0.248 248 I C 2.366 178.512 176.117 0.049 0.000 1.115 248 I CA 0.902 62.239 61.300 0.062 0.000 1.392 248 I CB -0.079 37.942 38.000 0.034 0.000 1.065 248 I HN 0.291 nan 8.210 nan 0.000 0.418 249 A N 1.007 123.853 122.820 0.042 0.000 1.908 249 A HA -0.147 4.174 4.320 0.001 0.000 0.218 249 A C 2.452 180.062 177.584 0.043 0.000 1.181 249 A CA 2.003 54.061 52.037 0.035 0.000 0.627 249 A CB -1.426 17.592 19.000 0.030 0.000 0.818 249 A HN 0.460 nan 8.150 nan 0.000 0.445 250 G N -0.440 108.396 108.800 0.061 0.000 2.402 250 G HA2 -0.098 3.863 3.960 0.001 0.000 0.216 250 G HA3 -0.098 3.863 3.960 0.001 0.000 0.216 250 G C 1.478 176.411 174.900 0.054 0.000 1.162 250 G CA 1.122 46.261 45.100 0.065 0.000 0.777 250 G HN 0.468 nan 8.290 nan 0.000 0.539 251 L N 0.802 122.062 121.223 0.062 0.000 2.046 251 L HA 0.018 4.359 4.340 0.001 0.000 0.208 251 L C 2.623 179.513 176.870 0.034 0.000 1.077 251 L CA 2.568 57.438 54.840 0.050 0.000 0.747 251 L CB -0.634 41.469 42.059 0.073 0.000 0.896 251 L HN 0.462 nan 8.230 nan 0.000 0.432 252 E N -0.303 119.917 120.200 0.034 0.000 2.049 252 E HA -0.346 4.005 4.350 0.001 0.000 0.198 252 E C 2.300 178.911 176.600 0.019 0.000 1.007 252 E CA 1.910 58.324 56.400 0.022 0.000 0.809 252 E CB -0.231 29.480 29.700 0.019 0.000 0.749 252 E HN 0.530 nan 8.360 nan 0.000 0.450 253 K N 0.042 120.456 120.400 0.023 0.000 2.032 253 K HA -0.152 4.169 4.320 0.001 0.000 0.209 253 K C 2.087 178.697 176.600 0.016 0.000 1.048 253 K CA 1.606 57.905 56.287 0.020 0.000 0.927 253 K CB -0.092 32.422 32.500 0.024 0.000 0.712 253 K HN 0.074 nan 8.250 nan 0.000 0.441 254 V N 1.412 121.335 119.914 0.016 0.000 2.295 254 V HA -0.263 3.858 4.120 0.001 0.000 0.246 254 V C 2.445 178.542 176.094 0.005 0.000 1.049 254 V CA 2.219 64.524 62.300 0.008 0.000 1.024 254 V CB -0.523 31.300 31.823 0.000 0.000 0.648 254 V HN 0.630 nan 8.190 nan 0.000 0.447 255 S N -0.492 115.211 115.700 0.006 0.000 2.453 255 S HA -0.131 4.340 4.470 0.001 0.000 0.231 255 S C 1.751 176.355 174.600 0.006 0.000 1.005 255 S CA 1.046 59.248 58.200 0.003 0.000 0.949 255 S CB -0.319 62.883 63.200 0.003 0.000 0.774 255 S HN 0.637 nan 8.310 nan 0.000 0.510 256 K N 0.518 120.923 120.400 0.009 0.000 2.374 256 K HA 0.267 4.588 4.320 0.001 0.000 0.196 256 K C 0.274 176.880 176.600 0.010 0.000 1.023 256 K CA 0.242 56.534 56.287 0.009 0.000 1.103 256 K CB 0.050 32.556 32.500 0.010 0.000 0.848 256 K HN 0.403 nan 8.250 nan 0.000 0.528 257 N N -0.239 118.467 118.700 0.010 0.000 2.194 257 N HA 0.005 4.746 4.740 0.001 0.000 0.231 257 N C -0.913 174.603 175.510 0.010 0.000 1.247 257 N CA -0.005 53.051 53.050 0.010 0.000 0.884 257 N CB 1.632 40.126 38.487 0.011 0.000 1.146 257 N HN -0.118 nan 8.380 nan 0.000 0.516 258 T N -1.416 113.144 114.554 0.010 0.000 2.903 258 T HA 0.193 4.544 4.350 0.001 0.000 0.299 258 T C -0.654 174.054 174.700 0.015 0.000 1.093 258 T CA -0.606 61.501 62.100 0.012 0.000 1.002 258 T CB 1.310 70.185 68.868 0.012 0.000 1.127 258 T HN -0.115 nan 8.240 nan 0.000 0.488 259 D N 1.529 121.940 120.400 0.018 0.000 2.348 259 D HA 0.093 4.733 4.640 0.001 0.000 0.211 259 D C 0.765 177.084 176.300 0.032 0.000 0.998 259 D CA 0.457 54.471 54.000 0.023 0.000 0.873 259 D CB 0.357 41.170 40.800 0.022 0.000 0.925 259 D HN 0.311 nan 8.370 nan 0.000 0.524 260 V N 3.689 123.623 119.914 0.034 0.000 2.509 260 V HA -0.010 4.110 4.120 0.001 0.000 0.297 260 V C -1.978 174.142 176.094 0.042 0.000 1.014 260 V CA -0.803 61.525 62.300 0.046 0.000 1.127 260 V CB 0.193 32.041 31.823 0.041 0.000 0.925 260 V HN -0.056 nan 8.190 nan 0.000 0.480 261 P HA 0.100 nan 4.420 nan 0.000 0.265 261 P C -0.517 176.790 177.300 0.013 0.000 1.193 261 P CA 0.113 63.237 63.100 0.040 0.000 0.765 261 P CB 0.268 32.012 31.700 0.074 0.000 0.823 262 I N 2.471 123.018 120.570 -0.037 0.000 2.359 262 I HA 0.514 4.685 4.170 0.001 0.000 0.294 262 I C 0.466 176.481 176.117 -0.169 0.000 0.987 262 I CA -1.033 60.224 61.300 -0.073 0.000 1.225 262 I CB 0.820 38.788 38.000 -0.054 0.000 1.366 262 I HN 0.296 nan 8.210 nan 0.000 0.466 263 A N 6.964 129.636 122.820 -0.246 0.000 2.342 263 A HA 0.878 5.199 4.320 0.001 0.000 0.323 263 A C -0.485 176.876 177.584 -0.372 0.000 1.125 263 A CA -0.428 51.346 52.037 -0.438 0.000 0.785 263 A CB 1.666 20.131 19.000 -0.892 0.000 1.221 263 A HN 0.639 nan 8.150 nan 0.000 0.463 264 V N -1.060 118.603 119.914 -0.418 0.000 3.206 264 V HA 0.976 5.097 4.120 0.001 0.000 0.305 264 V C 0.386 175.960 176.094 -0.867 0.000 1.257 264 V CA -0.118 61.888 62.300 -0.490 0.000 1.057 264 V CB 1.100 32.747 31.823 -0.293 0.000 1.075 264 V HN 2.392 nan 8.190 nan 0.000 0.443 265 G N 0.585 108.687 108.800 -1.163 0.000 2.425 265 G HA2 -0.168 3.793 3.960 0.001 0.000 0.177 265 G HA3 -0.168 3.793 3.960 0.001 0.000 0.177 265 G C 0.608 174.930 174.900 -0.963 0.000 0.999 265 G CA 0.778 44.707 45.100 -1.951 0.000 0.723 265 G HN 1.428 nan 8.290 nan 0.000 0.491 266 E N 1.096 120.955 120.200 -0.569 0.000 2.153 266 E HA -0.136 4.215 4.350 0.001 0.000 0.194 266 E C 1.719 178.180 176.600 -0.231 0.000 0.988 266 E CA 1.447 57.613 56.400 -0.391 0.000 0.811 266 E CB -0.243 29.105 29.700 -0.587 0.000 0.746 266 E HN 0.554 nan 8.360 nan 0.000 0.466 267 E N 0.090 120.148 120.200 -0.237 0.000 2.474 267 E HA -0.009 4.342 4.350 0.001 0.000 0.195 267 E C -0.202 176.354 176.600 -0.072 0.000 1.039 267 E CA -0.430 55.849 56.400 -0.201 0.000 0.881 267 E CB -0.135 29.451 29.700 -0.189 0.000 0.970 267 E HN 0.203 nan 8.360 nan 0.000 0.486 268 W N 1.525 122.746 121.300 -0.131 0.000 2.034 268 W HA 0.210 4.871 4.660 0.001 0.000 0.357 268 W C 1.590 178.044 176.519 -0.108 0.000 1.326 268 W CA -0.524 56.756 57.345 -0.108 0.000 1.318 268 W CB 0.245 29.659 29.460 -0.077 0.000 1.193 268 W HN 0.012 nan 8.180 nan 0.000 0.620 269 R N -0.663 119.948 120.500 0.186 0.000 2.350 269 R HA 0.105 4.446 4.340 0.001 0.000 0.199 269 R C 0.548 176.932 176.300 0.140 0.000 0.876 269 R CA 0.866 57.047 56.100 0.136 0.000 1.062 269 R CB -0.161 30.209 30.300 0.116 0.000 1.263 269 R HN 0.574 nan 8.270 nan 0.000 0.641 270 T N -2.126 112.481 114.554 0.088 0.000 2.812 270 T HA 0.221 4.572 4.350 0.001 0.000 0.294 270 T C 0.920 175.553 174.700 -0.111 0.000 1.159 270 T CA -0.425 61.683 62.100 0.014 0.000 1.008 270 T CB 1.606 70.480 68.868 0.009 0.000 1.289 270 T HN 0.344 nan 8.240 nan 0.000 0.514 271 H N -1.266 117.695 119.070 -0.182 0.000 2.489 271 H HA 0.021 4.578 4.556 0.001 0.000 0.295 271 H C 1.413 176.542 175.328 -0.332 0.000 1.082 271 H CA 1.285 57.157 56.048 -0.294 0.000 1.295 271 H CB -0.579 28.956 29.762 -0.378 0.000 1.380 271 H HN 0.649 nan 8.280 nan 0.000 0.548 272 W N 1.816 122.650 121.300 -0.777 0.000 2.338 272 W HA -0.135 4.525 4.660 0.001 0.000 0.304 272 W C 1.797 178.066 176.519 -0.417 0.000 1.212 272 W CA 0.828 57.870 57.345 -0.504 0.000 1.264 272 W CB 0.016 29.228 29.460 -0.413 0.000 1.142 272 W HN 0.244 nan 8.180 nan 0.000 0.512 273 D N -0.142 120.103 120.400 -0.257 0.000 2.117 273 D HA -0.225 4.415 4.640 0.001 0.000 0.197 273 D C 1.976 177.634 176.300 -1.070 0.000 0.987 273 D CA 1.691 55.338 54.000 -0.589 0.000 0.829 273 D CB -0.756 39.669 40.800 -0.626 0.000 0.961 273 D HN 0.226 nan 8.370 nan 0.000 0.460 274 M N 0.651 119.611 119.600 -1.067 0.000 2.086 274 M HA -0.157 4.324 4.480 0.001 0.000 0.261 274 M C 2.175 178.149 176.300 -0.543 0.000 1.067 274 M CA 1.426 56.063 55.300 -1.105 0.000 1.116 274 M CB 0.132 32.432 32.600 -0.499 0.000 1.348 274 M HN -0.172 nan 8.290 nan 0.000 0.407 275 R N 0.203 120.502 120.500 -0.334 0.000 2.103 275 R HA -0.171 4.170 4.340 0.001 0.000 0.242 275 R C 2.250 178.454 176.300 -0.160 0.000 1.142 275 R CA 1.673 57.662 56.100 -0.184 0.000 0.960 275 R CB -0.864 29.399 30.300 -0.062 0.000 0.858 275 R HN 0.538 nan 8.270 nan 0.000 0.439 276 A N 0.911 123.624 122.820 -0.180 0.000 1.978 276 A HA -0.189 4.132 4.320 0.001 0.000 0.220 276 A C 2.059 179.566 177.584 -0.127 0.000 1.170 276 A CA 1.483 53.438 52.037 -0.136 0.000 0.636 276 A CB -0.219 18.696 19.000 -0.142 0.000 0.810 276 A HN 0.159 nan 8.150 nan 0.000 0.448 277 R N -0.325 120.066 120.500 -0.180 0.000 2.090 277 R HA 0.158 4.499 4.340 0.001 0.000 0.219 277 R C 2.079 178.344 176.300 -0.059 0.000 1.100 277 R CA 1.228 57.288 56.100 -0.067 0.000 0.991 277 R CB -0.512 29.822 30.300 0.057 0.000 0.893 277 R HN 0.759 nan 8.270 nan 0.000 0.443 278 I N -1.277 119.223 120.570 -0.116 0.000 2.761 278 I HA 0.007 4.178 4.170 0.001 0.000 0.261 278 I C 0.923 176.951 176.117 -0.148 0.000 1.198 278 I CA 1.290 62.509 61.300 -0.136 0.000 1.482 278 I CB -0.153 37.717 38.000 -0.218 0.000 1.100 278 I HN 0.032 nan 8.210 nan 0.000 0.445 279 E N 1.197 121.321 120.200 -0.127 0.000 2.338 279 E HA -0.099 4.252 4.350 0.001 0.000 0.197 279 E C 1.927 178.500 176.600 -0.046 0.000 1.007 279 E CA 0.826 57.178 56.400 -0.081 0.000 0.849 279 E CB 0.104 29.770 29.700 -0.057 0.000 0.774 279 E HN 0.589 nan 8.360 nan 0.000 0.506 280 R N -1.237 119.240 120.500 -0.040 0.000 2.310 280 R HA 0.216 4.557 4.340 0.001 0.000 0.199 280 R C 0.277 176.571 176.300 -0.010 0.000 0.891 280 R CA 0.065 56.154 56.100 -0.018 0.000 1.060 280 R CB 0.829 31.122 30.300 -0.012 0.000 1.188 280 R HN 0.046 nan 8.270 nan 0.000 0.607 281 C N 0.565 119.859 119.300 -0.011 0.000 2.486 281 C HA 0.499 4.959 4.460 0.001 0.000 0.348 281 C C 0.126 175.113 174.990 -0.005 0.000 1.203 281 C CA -0.978 58.041 59.018 0.002 0.000 1.911 281 C CB 1.607 29.359 27.740 0.020 0.000 2.340 281 C HN 0.313 nan 8.230 nan 0.000 0.511 282 R N 1.471 121.972 120.500 0.001 0.000 2.391 282 R HA 0.425 4.766 4.340 0.001 0.000 0.310 282 R C -0.890 175.406 176.300 -0.007 0.000 1.174 282 R CA -0.143 55.956 56.100 -0.002 0.000 1.118 282 R CB -0.014 30.287 30.300 0.003 0.000 1.134 282 R HN 0.480 nan 8.270 nan 0.000 0.524 283 I N 2.500 123.065 120.570 -0.010 0.000 2.312 283 I HA 0.175 4.346 4.170 0.001 0.000 0.290 283 I C 1.146 177.240 176.117 -0.037 0.000 1.008 283 I CA -0.179 61.109 61.300 -0.020 0.000 1.226 283 I CB 1.111 39.121 38.000 0.017 0.000 1.371 283 I HN 0.594 nan 8.210 nan 0.000 0.468 284 A N 7.156 129.936 122.820 -0.066 0.000 1.943 284 A HA 0.301 4.622 4.320 0.001 0.000 0.213 284 A C 0.848 178.362 177.584 -0.117 0.000 1.181 284 A CA 0.957 52.954 52.037 -0.067 0.000 0.653 284 A CB 0.198 19.164 19.000 -0.056 0.000 0.833 284 A HN 0.601 nan 8.150 nan 0.000 0.451 285 I N 0.218 120.666 120.570 -0.204 0.000 2.569 285 I HA 0.366 4.537 4.170 0.001 0.000 0.290 285 I C -0.830 175.104 176.117 -0.304 0.000 1.088 285 I CA -1.074 60.048 61.300 -0.296 0.000 1.047 285 I CB 2.480 40.153 38.000 -0.545 0.000 1.237 285 I HN 0.069 nan 8.210 nan 0.000 0.421 286 V N 2.731 122.491 119.914 -0.256 0.000 2.612 286 V HA 0.578 4.699 4.120 0.001 0.000 0.301 286 V C -0.399 175.480 176.094 -0.358 0.000 1.046 286 V CA -0.354 61.765 62.300 -0.302 0.000 0.946 286 V CB 1.560 33.304 31.823 -0.132 0.000 1.003 286 V HN 0.853 nan 8.190 nan 0.000 0.459 287 Q N 3.655 123.195 119.800 -0.433 0.000 2.831 287 Q HA 0.364 4.705 4.340 0.001 0.000 0.366 287 Q C -2.644 173.184 176.000 -0.286 0.000 0.899 287 Q CA -1.707 53.892 55.803 -0.339 0.000 0.987 287 Q CB 1.290 29.832 28.738 -0.326 0.000 1.382 287 Q HN 0.685 nan 8.270 nan 0.000 0.403 288 P HA -0.050 nan 4.420 nan 0.000 0.269 288 P C -0.347 176.980 177.300 0.046 0.000 1.209 288 P CA 0.073 63.025 63.100 -0.246 0.000 0.776 288 P CB 0.977 32.279 31.700 -0.663 0.000 0.876 289 E N 2.757 123.043 120.200 0.144 0.000 2.092 289 E HA 0.220 4.571 4.350 0.001 0.000 0.271 289 E C 0.827 177.603 176.600 0.294 0.000 0.919 289 E CA -0.657 55.913 56.400 0.282 0.000 0.760 289 E CB 0.633 30.463 29.700 0.217 0.000 1.106 289 E HN 0.189 nan 8.360 nan 0.000 0.408 290 M N 4.151 123.968 119.600 0.362 0.000 2.149 290 M HA 0.057 4.538 4.480 0.001 0.000 0.261 290 M C 1.500 177.802 176.300 0.004 0.000 1.064 290 M CA 2.420 57.852 55.300 0.220 0.000 1.102 290 M CB -0.616 32.007 32.600 0.038 0.000 1.369 290 M HN 0.576 nan 8.290 nan 0.000 0.408 291 G N -1.455 107.117 108.800 -0.380 0.000 2.470 291 G HA2 -0.205 3.756 3.960 0.001 0.000 0.220 291 G HA3 -0.205 3.756 3.960 0.001 0.000 0.220 291 G C 1.325 176.077 174.900 -0.247 0.000 1.121 291 G CA 0.823 45.397 45.100 -0.876 0.000 0.766 291 G HN 0.571 nan 8.290 nan 0.000 0.553 292 H N -0.215 118.813 119.070 -0.071 0.000 2.544 292 H HA 0.230 4.787 4.556 0.001 0.000 0.269 292 H C 2.074 177.416 175.328 0.023 0.000 0.970 292 H CA 0.794 56.788 56.048 -0.089 0.000 1.219 292 H CB 0.536 30.189 29.762 -0.183 0.000 1.421 292 H HN 0.406 nan 8.280 nan 0.000 0.555 293 K N -0.805 119.707 120.400 0.185 0.000 2.362 293 K HA 0.305 4.626 4.320 0.001 0.000 0.203 293 K C 0.592 177.272 176.600 0.132 0.000 1.198 293 K CA 0.534 56.931 56.287 0.183 0.000 0.908 293 K CB 1.406 34.045 32.500 0.233 0.000 1.236 293 K HN 0.249 nan 8.250 nan 0.000 0.487 294 G N 1.308 110.188 108.800 0.134 0.000 2.746 294 G HA2 -0.229 3.732 3.960 0.001 0.000 0.685 294 G HA3 -0.229 3.732 3.960 0.001 0.000 0.685 294 G C 0.371 175.302 174.900 0.052 0.000 1.350 294 G CA -0.419 44.739 45.100 0.096 0.000 0.837 294 G HN 0.096 nan 8.290 nan 0.000 0.564 295 I N 0.524 121.100 120.570 0.011 0.000 2.202 295 I HA -0.147 4.023 4.170 0.001 0.000 0.242 295 I C 3.092 179.154 176.117 -0.091 0.000 1.091 295 I CA 2.172 63.387 61.300 -0.142 0.000 1.368 295 I CB -0.565 37.170 38.000 -0.441 0.000 1.058 295 I HN 0.733 nan 8.210 nan 0.000 0.410 296 T N 0.845 115.407 114.554 0.012 0.000 2.665 296 T HA -0.205 4.146 4.350 0.001 0.000 0.268 296 T C 1.760 176.390 174.700 -0.116 0.000 1.035 296 T CA 1.720 63.815 62.100 -0.007 0.000 1.151 296 T CB -0.376 68.458 68.868 -0.058 0.000 0.862 296 T HN 0.296 nan 8.240 nan 0.000 0.438 297 N N 0.325 118.904 118.700 -0.202 0.000 2.120 297 N HA -0.012 4.729 4.740 0.001 0.000 0.188 297 N C 1.604 177.138 175.510 0.040 0.000 1.024 297 N CA 0.888 53.886 53.050 -0.087 0.000 0.852 297 N CB -0.514 37.931 38.487 -0.070 0.000 1.003 297 N HN 0.362 nan 8.380 nan 0.000 0.424 298 F N 2.287 122.189 119.950 -0.080 0.000 2.102 298 F HA -0.083 4.445 4.527 0.001 0.000 0.298 298 F C 2.298 178.054 175.800 -0.075 0.000 1.105 298 F CA 0.988 58.956 58.000 -0.053 0.000 1.239 298 F CB -0.158 38.810 39.000 -0.054 0.000 0.991 298 F HN -0.015 nan 8.300 nan 0.000 0.474 299 I N -1.331 119.324 120.570 0.141 0.000 2.315 299 I HA -0.193 3.978 4.170 0.001 0.000 0.248 299 I C 2.174 178.269 176.117 -0.037 0.000 1.117 299 I CA 1.248 62.567 61.300 0.032 0.000 1.404 299 I CB -0.713 37.260 38.000 -0.044 0.000 1.071 299 I HN 0.043 nan 8.210 nan 0.000 0.419 300 R N 1.305 121.767 120.500 -0.063 0.000 2.092 300 R HA 0.033 4.374 4.340 0.001 0.000 0.231 300 R C 2.394 178.621 176.300 -0.123 0.000 1.119 300 R CA 1.594 57.611 56.100 -0.138 0.000 0.970 300 R CB -0.452 29.718 30.300 -0.217 0.000 0.864 300 R HN 0.398 nan 8.270 nan 0.000 0.440 301 I N 0.287 120.808 120.570 -0.080 0.000 2.226 301 I HA -0.200 3.971 4.170 0.001 0.000 0.245 301 I C 2.558 178.614 176.117 -0.103 0.000 1.100 301 I CA 1.535 62.788 61.300 -0.079 0.000 1.374 301 I CB -0.615 37.329 38.000 -0.093 0.000 1.057 301 I HN 0.318 nan 8.210 nan 0.000 0.413 302 G N 0.388 109.111 108.800 -0.127 0.000 2.446 302 G HA2 -0.272 3.689 3.960 0.001 0.000 0.217 302 G HA3 -0.272 3.689 3.960 0.001 0.000 0.217 302 G C 1.849 176.710 174.900 -0.065 0.000 1.168 302 G CA 0.860 45.901 45.100 -0.099 0.000 0.771 302 G HN 0.499 nan 8.290 nan 0.000 0.551 303 A N 0.277 123.057 122.820 -0.067 0.000 1.902 303 A HA 0.064 4.385 4.320 0.001 0.000 0.217 303 A C 2.354 179.904 177.584 -0.057 0.000 1.181 303 A CA 1.675 53.672 52.037 -0.066 0.000 0.623 303 A CB -0.430 18.518 19.000 -0.085 0.000 0.818 303 A HN 0.428 nan 8.150 nan 0.000 0.443 304 L N -0.324 120.864 121.223 -0.058 0.000 2.093 304 L HA -0.030 4.311 4.340 0.001 0.000 0.208 304 L C 2.655 179.567 176.870 0.069 0.000 1.085 304 L CA 1.968 56.809 54.840 0.001 0.000 0.755 304 L CB -0.730 41.310 42.059 -0.032 0.000 0.904 304 L HN 0.347 nan 8.230 nan 0.000 0.435 305 A N -0.514 122.315 122.820 0.015 0.000 1.902 305 A HA -0.117 4.204 4.320 0.001 0.000 0.217 305 A C 2.464 180.063 177.584 0.024 0.000 1.181 305 A CA 1.738 53.788 52.037 0.022 0.000 0.623 305 A CB -1.138 17.846 19.000 -0.027 0.000 0.818 305 A HN 0.539 nan 8.150 nan 0.000 0.443 306 A N -0.143 122.672 122.820 -0.008 0.000 1.940 306 A HA -0.200 4.121 4.320 0.001 0.000 0.219 306 A C 1.852 179.410 177.584 -0.043 0.000 1.176 306 A CA 1.724 53.746 52.037 -0.024 0.000 0.631 306 A CB -0.581 18.399 19.000 -0.034 0.000 0.814 306 A HN 0.645 nan 8.150 nan 0.000 0.446 307 E N -1.297 118.867 120.200 -0.060 0.000 2.209 307 E HA -0.169 4.182 4.350 0.001 0.000 0.196 307 E C 0.922 177.315 176.600 -0.345 0.000 0.993 307 E CA 1.153 57.436 56.400 -0.194 0.000 0.819 307 E CB -0.110 29.460 29.700 -0.217 0.000 0.745 307 E HN 0.757 nan 8.360 nan 0.000 0.477 308 H N -1.740 117.311 119.070 -0.032 0.000 2.923 308 H HA 0.193 4.750 4.556 0.001 0.000 0.268 308 H C 0.790 176.105 175.328 -0.020 0.000 1.148 308 H CA 0.518 56.552 56.048 -0.024 0.000 1.146 308 H CB 1.357 31.104 29.762 -0.024 0.000 1.607 308 H HN 0.227 nan 8.280 nan 0.000 0.566 309 G N 2.201 111.030 108.800 0.050 0.000 2.305 309 G HA2 -0.287 3.674 3.960 0.001 0.000 0.287 309 G HA3 -0.287 3.674 3.960 0.001 0.000 0.287 309 G C 0.123 175.040 174.900 0.029 0.000 1.036 309 G CA 0.242 45.358 45.100 0.026 0.000 0.887 309 G HN 0.356 nan 8.290 nan 0.000 0.505 310 I N 0.639 121.228 120.570 0.031 0.000 2.342 310 I HA 0.227 4.398 4.170 0.001 0.000 0.291 310 I C 0.085 176.186 176.117 -0.026 0.000 1.010 310 I CA -0.941 60.360 61.300 0.002 0.000 1.308 310 I CB 0.874 38.878 38.000 0.006 0.000 1.400 310 I HN -0.040 nan 8.210 nan 0.000 0.488 311 D N 5.373 125.748 120.400 -0.042 0.000 2.399 311 D HA 0.175 4.816 4.640 0.001 0.000 0.241 311 D C -0.382 175.856 176.300 -0.103 0.000 1.133 311 D CA 0.131 54.099 54.000 -0.054 0.000 0.890 311 D CB 1.474 42.252 40.800 -0.037 0.000 1.201 311 D HN 0.037 nan 8.370 nan 0.000 0.432 312 V N 3.199 123.053 119.914 -0.100 0.000 2.378 312 V HA 0.364 4.485 4.120 0.001 0.000 0.288 312 V C 0.232 176.248 176.094 -0.130 0.000 1.016 312 V CA -0.586 61.627 62.300 -0.146 0.000 0.840 312 V CB 1.090 32.825 31.823 -0.146 0.000 0.994 312 V HN 0.352 nan 8.190 nan 0.000 0.431 313 I N 6.838 127.305 120.570 -0.172 0.000 2.623 313 I HA 0.331 4.502 4.170 0.001 0.000 0.275 313 I C -2.624 173.413 176.117 -0.134 0.000 1.108 313 I CA -1.726 59.518 61.300 -0.093 0.000 1.120 313 I CB 1.932 39.882 38.000 -0.084 0.000 1.249 313 I HN 0.413 nan 8.210 nan 0.000 0.500 314 P HA -0.019 nan 4.420 nan 0.000 0.269 314 P C -0.299 176.850 177.300 -0.251 0.000 1.215 314 P CA 0.226 63.168 63.100 -0.264 0.000 0.780 314 P CB 0.417 31.961 31.700 -0.261 0.000 0.898 315 H N 1.369 120.357 119.070 -0.136 0.000 2.603 315 H HA 0.544 5.101 4.556 0.001 0.000 0.370 315 H C -0.814 174.572 175.328 0.096 0.000 1.225 315 H CA -0.314 55.734 56.048 -0.001 0.000 1.410 315 H CB 0.752 30.540 29.762 0.042 0.000 1.495 315 H HN 0.449 nan 8.280 nan 0.000 0.602 316 A N 2.330 124.918 122.820 -0.387 0.000 2.556 316 A HA 0.543 4.864 4.320 0.001 0.000 0.294 316 A C -0.771 176.617 177.584 -0.326 0.000 1.091 316 A CA -0.260 51.711 52.037 -0.109 0.000 0.704 316 A CB 2.206 21.291 19.000 0.141 0.000 1.300 316 A HN 0.719 nan 8.150 nan 0.000 0.406 317 T N -0.832 113.724 114.554 0.004 0.000 2.711 317 T HA 0.462 4.813 4.350 0.001 0.000 0.302 317 T C -1.177 173.553 174.700 0.051 0.000 1.373 317 T CA -0.238 61.886 62.100 0.039 0.000 1.000 317 T CB 0.963 69.936 68.868 0.176 0.000 1.483 317 T HN 1.090 nan 8.240 nan 0.000 0.499 318 V N 2.243 122.160 119.914 0.005 0.000 2.584 318 V HA 0.509 4.629 4.120 0.001 0.000 0.303 318 V C 1.151 177.222 176.094 -0.038 0.000 1.035 318 V CA 1.593 63.871 62.300 -0.036 0.000 1.172 318 V CB 0.005 31.805 31.823 -0.039 0.000 0.896 318 V HN 1.170 nan 8.190 nan 0.000 0.486 319 G N 3.220 111.932 108.800 -0.147 0.000 2.356 319 G HA2 0.528 4.489 3.960 0.001 0.000 0.294 319 G HA3 0.528 4.489 3.960 0.001 0.000 0.294 319 G C 0.129 174.823 174.900 -0.342 0.000 1.423 319 G CA -0.023 44.873 45.100 -0.339 0.000 0.806 319 G HN 0.814 nan 8.290 nan 0.000 0.527 320 A N -1.487 121.105 122.820 -0.381 0.000 2.072 320 A HA 0.524 4.845 4.320 0.001 0.000 0.216 320 A C 1.926 179.315 177.584 -0.325 0.000 1.156 320 A CA 1.970 53.833 52.037 -0.290 0.000 0.701 320 A CB -0.377 18.478 19.000 -0.241 0.000 0.816 320 A HN 2.742 nan 8.150 nan 0.000 0.458 321 G N -1.303 107.250 108.800 -0.411 0.000 2.296 321 G HA2 -0.179 3.782 3.960 0.001 0.000 0.188 321 G HA3 -0.179 3.782 3.960 0.001 0.000 0.188 321 G C 0.821 175.562 174.900 -0.264 0.000 1.000 321 G CA 0.256 45.166 45.100 -0.317 0.000 0.672 321 G HN 0.166 nan 8.290 nan 0.000 0.483 322 I N 1.639 122.038 120.570 -0.285 0.000 2.162 322 I HA 0.042 4.213 4.170 0.001 0.000 0.238 322 I C 2.749 178.859 176.117 -0.012 0.000 1.076 322 I CA 2.059 63.291 61.300 -0.114 0.000 1.353 322 I CB -1.644 36.340 38.000 -0.026 0.000 1.063 322 I HN 0.380 nan 8.210 nan 0.000 0.408 323 F N 1.091 121.067 119.950 0.043 0.000 2.293 323 F HA -0.106 4.421 4.527 0.001 0.000 0.300 323 F C 2.191 178.001 175.800 0.017 0.000 1.086 323 F CA 0.635 58.660 58.000 0.042 0.000 1.375 323 F CB -1.503 37.543 39.000 0.077 0.000 1.045 323 F HN -0.009 nan 8.300 nan 0.000 0.516 324 L N 1.728 122.978 121.223 0.045 0.000 2.027 324 L HA 0.080 4.421 4.340 0.001 0.000 0.206 324 L C 2.524 179.399 176.870 0.009 0.000 1.074 324 L CA 1.843 56.741 54.840 0.096 0.000 0.745 324 L CB -1.405 40.684 42.059 0.051 0.000 0.898 324 L HN 0.194 nan 8.230 nan 0.000 0.433 325 A N -0.333 122.477 122.820 -0.016 0.000 1.908 325 A HA -0.153 4.168 4.320 0.001 0.000 0.218 325 A C 2.479 180.042 177.584 -0.035 0.000 1.181 325 A CA 1.993 54.014 52.037 -0.027 0.000 0.627 325 A CB -1.272 17.716 19.000 -0.019 0.000 0.818 325 A HN 0.595 nan 8.150 nan 0.000 0.445 326 A N -0.778 122.037 122.820 -0.007 0.000 1.892 326 A HA -0.179 4.142 4.320 0.001 0.000 0.218 326 A C 2.494 179.959 177.584 -0.198 0.000 1.188 326 A CA 2.386 54.388 52.037 -0.058 0.000 0.631 326 A CB -1.120 17.889 19.000 0.016 0.000 0.822 326 A HN 0.576 nan 8.150 nan 0.000 0.447 327 S N -0.507 115.088 115.700 -0.175 0.000 2.359 327 S HA -0.137 4.334 4.470 0.001 0.000 0.224 327 S C 1.946 176.441 174.600 -0.174 0.000 1.035 327 S CA 1.590 59.601 58.200 -0.314 0.000 1.018 327 S CB -0.532 62.728 63.200 0.101 0.000 0.876 327 S HN 0.490 nan 8.310 nan 0.000 0.448 328 L N 1.122 122.284 121.223 -0.101 0.000 2.017 328 L HA -0.145 4.196 4.340 0.001 0.000 0.208 328 L C 3.033 179.943 176.870 0.067 0.000 1.073 328 L CA 1.286 56.139 54.840 0.021 0.000 0.745 328 L CB -0.860 41.104 42.059 -0.159 0.000 0.894 328 L HN 0.341 nan 8.230 nan 0.000 0.432 329 Q N 0.173 119.949 119.800 -0.041 0.000 2.045 329 Q HA -0.242 4.099 4.340 0.001 0.000 0.206 329 Q C 2.412 178.362 176.000 -0.083 0.000 0.991 329 Q CA 2.156 57.927 55.803 -0.053 0.000 0.851 329 Q CB -0.527 28.160 28.738 -0.086 0.000 0.911 329 Q HN 0.569 nan 8.270 nan 0.000 0.418 330 A N 0.585 123.289 122.820 -0.192 0.000 1.898 330 A HA -0.126 4.195 4.320 0.001 0.000 0.216 330 A C 2.475 180.049 177.584 -0.016 0.000 1.181 330 A CA 1.718 53.641 52.037 -0.190 0.000 0.620 330 A CB -0.562 18.209 19.000 -0.381 0.000 0.819 330 A HN 0.335 nan 8.150 nan 0.000 0.442 331 S N 0.559 116.265 115.700 0.010 0.000 2.383 331 S HA -0.187 4.284 4.470 0.001 0.000 0.229 331 S C 2.276 176.859 174.600 -0.028 0.000 1.030 331 S CA 1.740 59.984 58.200 0.073 0.000 1.002 331 S CB -0.468 62.711 63.200 -0.036 0.000 0.829 331 S HN 0.915 nan 8.310 nan 0.000 0.467 332 S N 1.522 117.287 115.700 0.109 0.000 2.442 332 S HA -0.115 4.355 4.470 0.001 0.000 0.236 332 S C 1.769 176.417 174.600 0.079 0.000 1.007 332 S CA 1.462 59.776 58.200 0.191 0.000 0.965 332 S CB -0.869 62.481 63.200 0.250 0.000 0.773 332 S HN 0.690 nan 8.310 nan 0.000 0.504 333 T N -0.479 114.094 114.554 0.032 0.000 3.107 333 T HA 0.373 4.724 4.350 0.001 0.000 0.249 333 T C 0.411 175.113 174.700 0.003 0.000 1.096 333 T CA -0.386 61.720 62.100 0.009 0.000 1.012 333 T CB -0.516 68.339 68.868 -0.021 0.000 0.977 333 T HN 0.368 nan 8.240 nan 0.000 0.527 334 L N 2.823 124.046 121.223 0.001 0.000 2.264 334 L HA 0.382 4.723 4.340 0.001 0.000 0.289 334 L C 1.774 178.634 176.870 -0.018 0.000 1.044 334 L CA -0.646 54.187 54.840 -0.011 0.000 0.807 334 L CB 1.418 43.469 42.059 -0.012 0.000 1.192 334 L HN 0.244 nan 8.230 nan 0.000 0.425 335 S N 3.078 118.769 115.700 -0.015 0.000 2.399 335 S HA -0.133 4.337 4.470 0.001 0.000 0.231 335 S C 1.438 176.030 174.600 -0.014 0.000 1.022 335 S CA 0.857 59.051 58.200 -0.011 0.000 0.983 335 S CB -0.022 63.171 63.200 -0.012 0.000 0.803 335 S HN 0.637 nan 8.310 nan 0.000 0.480 336 M N 0.795 120.380 119.600 -0.024 0.000 2.561 336 M HA 0.419 4.900 4.480 0.001 0.000 0.238 336 M C 0.286 176.565 176.300 -0.035 0.000 1.131 336 M CA -0.316 54.969 55.300 -0.026 0.000 1.046 336 M CB -1.281 31.300 32.600 -0.032 0.000 1.532 336 M HN 0.337 nan 8.290 nan 0.000 0.497 337 L N 2.479 123.673 121.223 -0.049 0.000 2.534 337 L HA -0.037 4.304 4.340 0.001 0.000 0.271 337 L C 1.180 178.033 176.870 -0.029 0.000 1.178 337 L CA 0.735 55.528 54.840 -0.079 0.000 0.907 337 L CB 0.338 42.300 42.059 -0.163 0.000 1.164 337 L HN 0.037 nan 8.230 nan 0.000 0.482 338 K N 3.618 124.024 120.400 0.010 0.000 2.348 338 K HA 0.463 4.784 4.320 0.001 0.000 0.194 338 K C 0.643 177.334 176.600 0.153 0.000 1.052 338 K CA 0.645 56.986 56.287 0.091 0.000 1.004 338 K CB 0.722 33.309 32.500 0.144 0.000 0.873 338 K HN 0.855 nan 8.250 nan 0.000 0.523 339 G N -0.318 108.565 108.800 0.139 0.000 2.368 339 G HA2 0.090 4.051 3.960 0.001 0.000 0.269 339 G HA3 0.090 4.051 3.960 0.001 0.000 0.269 339 G C -1.879 173.215 174.900 0.324 0.000 1.291 339 G CA -0.696 44.572 45.100 0.279 0.000 0.903 339 G HN 0.156 nan 8.290 nan 0.000 0.483 340 H N 0.486 119.809 119.070 0.421 0.000 3.086 340 H HA 0.422 4.979 4.556 0.001 0.000 0.353 340 H C -0.888 174.619 175.328 0.297 0.000 1.134 340 H CA -0.329 55.942 56.048 0.372 0.000 1.248 340 H CB 2.315 32.322 29.762 0.408 0.000 1.878 340 H HN 0.713 nan 8.280 nan 0.000 0.527 341 E N 3.076 123.353 120.200 0.128 0.000 2.452 341 E HA 0.067 4.418 4.350 0.001 0.000 0.261 341 E C -1.116 175.609 176.600 0.208 0.000 0.987 341 E CA 0.044 56.214 56.400 -0.383 0.000 0.926 341 E CB 0.423 29.945 29.700 -0.296 0.000 0.934 341 E HN 0.245 nan 8.360 nan 0.000 0.452 342 F N 4.351 124.151 119.950 -0.249 0.000 2.496 342 F HA 0.229 4.757 4.527 0.002 0.000 0.341 342 F C -0.903 174.765 175.800 -0.221 0.000 1.134 342 F CA -0.755 57.148 58.000 -0.161 0.000 0.968 342 F CB 1.369 40.164 39.000 -0.341 0.000 1.205 342 F HN 0.353 nan 8.300 nan 0.000 0.436 343 Q N 6.220 125.708 119.800 -0.519 0.000 2.571 343 Q HA 0.088 4.429 4.340 0.001 0.000 0.222 343 Q C 0.847 176.279 176.000 -0.947 0.000 1.167 343 Q CA -0.176 55.252 55.803 -0.625 0.000 0.966 343 Q CB 0.365 28.916 28.738 -0.310 0.000 1.274 343 Q HN 0.991 nan 8.270 nan 0.000 0.552 344 H N -0.944 117.296 119.070 -1.385 0.000 2.353 344 H HA -0.117 4.440 4.556 0.001 0.000 0.298 344 H C 1.406 176.503 175.328 -0.386 0.000 1.103 344 H CA 1.950 57.253 56.048 -1.243 0.000 1.293 344 H CB 0.032 28.977 29.762 -1.361 0.000 1.372 344 H HN 0.253 nan 8.280 nan 0.000 0.501 345 S N 0.263 115.520 115.700 -0.738 0.000 2.453 345 S HA 0.004 4.475 4.470 0.001 0.000 0.231 345 S C 1.767 176.263 174.600 -0.173 0.000 1.005 345 S CA 0.989 58.995 58.200 -0.323 0.000 0.949 345 S CB 0.041 63.002 63.200 -0.399 0.000 0.774 345 S HN 0.344 nan 8.310 nan 0.000 0.510 346 I N -0.252 120.199 120.570 -0.199 0.000 2.556 346 I HA 0.104 4.275 4.170 0.001 0.000 0.251 346 I C 1.875 177.978 176.117 -0.023 0.000 1.105 346 I CA 0.605 61.844 61.300 -0.102 0.000 1.436 346 I CB -1.296 36.641 38.000 -0.105 0.000 1.139 346 I HN 0.240 nan 8.210 nan 0.000 0.438 347 F N 2.555 122.427 119.950 -0.131 0.000 2.069 347 F HA -0.222 4.305 4.527 0.001 0.000 0.298 347 F C 2.498 178.328 175.800 0.051 0.000 1.113 347 F CA 1.905 59.907 58.000 0.003 0.000 1.214 347 F CB -0.013 39.069 39.000 0.138 0.000 0.978 347 F HN 0.091 nan 8.300 nan 0.000 0.474 348 E N 0.202 120.591 120.200 0.315 0.000 2.023 348 E HA -0.228 4.123 4.350 0.001 0.000 0.196 348 E C -0.362 176.280 176.600 0.071 0.000 1.003 348 E CA 1.804 58.355 56.400 0.252 0.000 0.809 348 E CB -1.579 28.307 29.700 0.311 0.000 0.755 348 E HN 0.367 nan 8.360 nan 0.000 0.449 349 P HA -0.157 nan 4.420 nan 0.000 0.218 349 P C 0.254 177.511 177.300 -0.073 0.000 1.148 349 P CA 1.486 64.577 63.100 -0.015 0.000 0.822 349 P CB -0.277 31.413 31.700 -0.016 0.000 0.784 350 N N -1.259 117.362 118.700 -0.130 0.000 2.383 350 N HA 0.054 4.795 4.740 0.001 0.000 0.192 350 N C 1.511 176.875 175.510 -0.243 0.000 1.141 350 N CA -0.225 52.711 53.050 -0.189 0.000 0.851 350 N CB -0.374 37.994 38.487 -0.197 0.000 0.976 350 N HN -0.018 nan 8.380 nan 0.000 0.465 351 R N 0.953 121.313 120.500 -0.233 0.000 2.117 351 R HA -0.037 4.303 4.340 0.001 0.000 0.243 351 R C 1.818 178.032 176.300 -0.144 0.000 1.143 351 R CA 1.222 57.200 56.100 -0.205 0.000 0.968 351 R CB -0.189 30.044 30.300 -0.112 0.000 0.863 351 R HN 0.343 nan 8.270 nan 0.000 0.444 352 R N 0.319 120.751 120.500 -0.113 0.000 2.189 352 R HA -0.029 4.311 4.340 0.001 0.000 0.223 352 R C 1.839 178.067 176.300 -0.120 0.000 1.092 352 R CA 0.774 56.817 56.100 -0.095 0.000 0.989 352 R CB -0.008 30.248 30.300 -0.072 0.000 0.876 352 R HN 0.222 nan 8.270 nan 0.000 0.457 353 L N 0.380 121.512 121.223 -0.152 0.000 2.591 353 L HA 0.156 4.497 4.340 0.001 0.000 0.228 353 L C 0.097 176.839 176.870 -0.213 0.000 1.133 353 L CA 0.192 54.926 54.840 -0.178 0.000 0.880 353 L CB 0.218 42.166 42.059 -0.185 0.000 1.033 353 L HN 0.055 nan 8.230 nan 0.000 0.450 354 L N -0.779 120.327 121.223 -0.196 0.000 2.381 354 L HA 0.430 4.771 4.340 0.001 0.000 0.268 354 L C -1.090 175.689 176.870 -0.152 0.000 0.997 354 L CA -0.845 53.874 54.840 -0.201 0.000 0.818 354 L CB 2.371 44.306 42.059 -0.207 0.000 1.310 354 L HN -0.160 nan 8.230 nan 0.000 0.416 355 D N 2.022 122.335 120.400 -0.145 0.000 2.198 355 D HA 0.636 5.277 4.640 0.001 0.000 0.245 355 D C 0.197 176.450 176.300 -0.077 0.000 1.079 355 D CA 0.297 54.239 54.000 -0.095 0.000 0.854 355 D CB 2.024 42.776 40.800 -0.080 0.000 1.148 355 D HN 0.762 nan 8.370 nan 0.000 0.456 356 G N 1.817 110.586 108.800 -0.052 0.000 2.653 356 G HA2 -0.029 3.932 3.960 0.001 0.000 0.656 356 G HA3 -0.029 3.932 3.960 0.001 0.000 0.656 356 G C -0.743 174.144 174.900 -0.022 0.000 1.419 356 G CA -0.965 44.115 45.100 -0.032 0.000 0.862 356 G HN 0.511 nan 8.290 nan 0.000 0.639 357 D N 1.499 121.897 120.400 -0.002 0.000 2.801 357 D HA 0.190 4.831 4.640 0.001 0.000 0.232 357 D C 0.732 177.060 176.300 0.048 0.000 1.128 357 D CA -0.315 53.694 54.000 0.015 0.000 1.003 357 D CB 0.350 41.156 40.800 0.010 0.000 1.110 357 D HN 0.572 nan 8.370 nan 0.000 0.477 358 M N 1.342 120.982 119.600 0.066 0.000 2.144 358 M HA 0.290 4.771 4.480 0.001 0.000 0.356 358 M C -1.292 175.198 176.300 0.316 0.000 1.217 358 M CA -0.343 55.051 55.300 0.157 0.000 1.087 358 M CB 1.082 33.764 32.600 0.137 0.000 1.609 358 M HN -0.048 nan 8.290 nan 0.000 0.467 359 D N 3.227 123.829 120.400 0.338 0.000 2.552 359 D HA 0.552 5.193 4.640 0.001 0.000 0.239 359 D C -2.087 174.260 176.300 0.078 0.000 1.139 359 D CA -0.323 53.874 54.000 0.329 0.000 0.914 359 D CB 2.517 43.384 40.800 0.112 0.000 1.461 359 D HN 0.772 nan 8.370 nan 0.000 0.462 360 C N 2.703 121.848 119.300 -0.258 0.000 2.446 360 C HA 0.853 5.314 4.460 0.001 0.000 0.329 360 C C -1.383 173.373 174.990 -0.389 0.000 1.166 360 C CA -0.379 58.230 59.018 -0.682 0.000 1.341 360 C CB -0.239 26.422 27.740 -1.798 0.000 1.970 360 C HN 0.703 nan 8.230 nan 0.000 0.452 361 R N 3.835 124.185 120.500 -0.250 0.000 2.680 361 R HA 0.552 4.893 4.340 0.001 0.000 0.269 361 R C -0.312 175.814 176.300 -0.290 0.000 1.026 361 R CA -0.471 55.547 56.100 -0.136 0.000 0.889 361 R CB 0.781 31.036 30.300 -0.075 0.000 1.241 361 R HN 0.724 nan 8.270 nan 0.000 0.463 362 E N 0.320 120.324 120.200 -0.328 0.000 2.360 362 E HA -0.257 4.094 4.350 0.001 0.000 0.238 362 E C 0.569 176.701 176.600 -0.780 0.000 1.186 362 E CA 1.141 57.272 56.400 -0.448 0.000 0.719 362 E CB -1.353 28.217 29.700 -0.216 0.000 1.236 362 E HN 1.180 nan 8.360 nan 0.000 0.386 363 G N -0.127 107.621 108.800 -1.753 0.000 2.148 363 G HA2 -0.349 3.612 3.960 0.001 0.000 0.254 363 G HA3 -0.349 3.612 3.960 0.001 0.000 0.254 363 G C 0.067 174.547 174.900 -0.700 0.000 0.981 363 G CA 0.630 44.832 45.100 -1.497 0.000 0.670 363 G HN 0.378 nan 8.290 nan 0.000 0.528 364 R N -1.240 118.895 120.500 -0.609 0.000 2.604 364 R HA 0.485 4.826 4.340 0.001 0.000 0.281 364 R C -0.961 175.048 176.300 -0.485 0.000 1.020 364 R CA -0.944 54.905 56.100 -0.419 0.000 0.899 364 R CB 1.277 31.350 30.300 -0.378 0.000 1.205 364 R HN 0.109 nan 8.270 nan 0.000 0.450 365 Y N 2.197 122.214 120.300 -0.472 0.000 2.425 365 Y HA 0.092 4.642 4.550 0.001 0.000 0.331 365 Y C 0.680 176.187 175.900 -0.655 0.000 1.157 365 Y CA 0.637 58.414 58.100 -0.540 0.000 1.372 365 Y CB 0.655 38.700 38.460 -0.692 0.000 1.253 365 Y HN 0.269 nan 8.280 nan 0.000 0.536 366 H N 4.647 123.618 119.070 -0.164 0.000 2.551 366 H HA 0.248 4.805 4.556 0.001 0.000 0.321 366 H C -0.831 174.435 175.328 -0.103 0.000 1.028 366 H CA -0.895 55.063 56.048 -0.149 0.000 1.215 366 H CB 1.451 31.154 29.762 -0.099 0.000 1.414 366 H HN 0.430 nan 8.280 nan 0.000 0.480 367 L N 5.791 126.968 121.223 -0.077 0.000 2.436 367 L HA 0.183 4.524 4.340 0.001 0.000 0.265 367 L C -1.676 175.196 176.870 0.004 0.000 1.168 367 L CA -1.301 53.501 54.840 -0.064 0.000 0.815 367 L CB 0.162 42.162 42.059 -0.097 0.000 1.109 367 L HN 0.493 nan 8.230 nan 0.000 0.462 368 P HA 0.151 nan 4.420 nan 0.000 0.274 368 P C -0.428 176.880 177.300 0.013 0.000 1.246 368 P CA -0.288 62.822 63.100 0.017 0.000 0.795 368 P CB 0.857 32.564 31.700 0.013 0.000 1.006 369 S N -0.634 115.075 115.700 0.015 0.000 2.497 369 S HA 0.175 4.646 4.470 0.001 0.000 0.218 369 S C 1.245 175.856 174.600 0.020 0.000 1.023 369 S CA 0.218 58.428 58.200 0.016 0.000 0.913 369 S CB -0.214 62.995 63.200 0.014 0.000 0.800 369 S HN 0.737 nan 8.310 nan 0.000 0.505 370 G N 3.227 112.040 108.800 0.022 0.000 2.651 370 G HA2 0.418 4.379 3.960 0.001 0.000 0.260 370 G HA3 0.418 4.379 3.960 0.001 0.000 0.260 370 G C -2.648 172.275 174.900 0.037 0.000 1.216 370 G CA -1.067 44.050 45.100 0.028 0.000 0.913 370 G HN 0.109 nan 8.290 nan 0.000 0.535 371 P HA 0.312 nan 4.420 nan 0.000 0.272 371 P C 0.963 178.305 177.300 0.070 0.000 1.240 371 P CA 0.962 64.096 63.100 0.056 0.000 0.791 371 P CB 0.717 32.450 31.700 0.055 0.000 0.978 372 G N 0.826 109.679 108.800 0.089 0.000 2.550 372 G HA2 -0.345 3.616 3.960 0.001 0.000 0.277 372 G HA3 -0.345 3.616 3.960 0.001 0.000 0.277 372 G C 0.647 175.604 174.900 0.096 0.000 1.190 372 G CA 0.337 45.505 45.100 0.113 0.000 0.971 372 G HN 0.549 nan 8.290 nan 0.000 0.559 373 L N 1.746 123.032 121.223 0.104 0.000 2.093 373 L HA 0.352 4.693 4.340 0.001 0.000 0.208 373 L C 2.709 179.607 176.870 0.048 0.000 1.085 373 L CA 3.203 58.091 54.840 0.080 0.000 0.755 373 L CB -0.705 41.418 42.059 0.107 0.000 0.904 373 L HN 2.524 nan 8.230 nan 0.000 0.435 374 G N -1.380 107.450 108.800 0.050 0.000 2.176 374 G HA2 -0.214 3.747 3.960 0.001 0.000 0.253 374 G HA3 -0.214 3.747 3.960 0.001 0.000 0.253 374 G C 0.314 175.221 174.900 0.012 0.000 0.979 374 G CA 0.543 45.661 45.100 0.030 0.000 0.641 374 G HN 0.965 nan 8.290 nan 0.000 0.530 375 V N -2.406 117.512 119.914 0.007 0.000 3.130 375 V HA 1.041 5.162 4.120 0.001 0.000 0.310 375 V C -0.445 175.620 176.094 -0.049 0.000 1.158 375 V CA -0.473 61.805 62.300 -0.036 0.000 1.029 375 V CB 1.859 33.640 31.823 -0.069 0.000 1.057 375 V HN 1.292 nan 8.190 nan 0.000 0.436 376 R N 0.820 121.238 120.500 -0.136 0.000 2.734 376 R HA 0.728 5.069 4.340 0.001 0.000 0.271 376 R C -3.314 172.719 176.300 -0.446 0.000 1.021 376 R CA -1.907 54.015 56.100 -0.297 0.000 0.893 376 R CB 1.335 31.541 30.300 -0.157 0.000 1.244 376 R HN 0.460 nan 8.270 nan 0.000 0.464 377 P HA -0.018 nan 4.420 nan 0.000 0.265 377 P C -0.331 176.732 177.300 -0.395 0.000 1.193 377 P CA 0.092 62.810 63.100 -0.636 0.000 0.765 377 P CB 0.879 31.993 31.700 -0.975 0.000 0.823 378 S N 1.544 117.078 115.700 -0.277 0.000 2.608 378 S HA 0.086 4.557 4.470 0.001 0.000 0.261 378 S C 1.378 175.882 174.600 -0.160 0.000 1.314 378 S CA -0.188 57.903 58.200 -0.182 0.000 0.992 378 S CB 0.529 63.641 63.200 -0.146 0.000 0.935 378 S HN 0.368 nan 8.310 nan 0.000 0.564 379 E N 1.190 121.326 120.200 -0.106 0.000 2.130 379 E HA -0.125 4.226 4.350 0.001 0.000 0.196 379 E C 2.112 178.661 176.600 -0.085 0.000 0.998 379 E CA 1.883 58.235 56.400 -0.080 0.000 0.806 379 E CB -0.967 28.702 29.700 -0.051 0.000 0.738 379 E HN 0.776 nan 8.360 nan 0.000 0.459 380 A N 0.626 123.394 122.820 -0.087 0.000 1.883 380 A HA -0.115 4.206 4.320 0.001 0.000 0.217 380 A C 2.452 179.974 177.584 -0.103 0.000 1.186 380 A CA 2.313 54.301 52.037 -0.082 0.000 0.624 380 A CB -1.097 17.858 19.000 -0.076 0.000 0.822 380 A HN 0.375 nan 8.150 nan 0.000 0.444 381 A N -0.293 122.441 122.820 -0.143 0.000 1.902 381 A HA -0.062 4.259 4.320 0.001 0.000 0.217 381 A C 2.130 179.604 177.584 -0.185 0.000 1.181 381 A CA 1.516 53.446 52.037 -0.178 0.000 0.623 381 A CB -0.632 18.218 19.000 -0.251 0.000 0.818 381 A HN 0.489 nan 8.150 nan 0.000 0.443 382 L N -0.753 120.359 121.223 -0.184 0.000 2.191 382 L HA -0.123 4.218 4.340 0.001 0.000 0.212 382 L C 2.658 179.465 176.870 -0.105 0.000 1.103 382 L CA 0.882 55.625 54.840 -0.161 0.000 0.769 382 L CB -0.665 41.328 42.059 -0.110 0.000 0.908 382 L HN 0.513 nan 8.230 nan 0.000 0.438 383 G N -0.275 108.477 108.800 -0.080 0.000 2.484 383 G HA2 -0.103 3.858 3.960 0.001 0.000 0.218 383 G HA3 -0.103 3.858 3.960 0.001 0.000 0.218 383 G C 1.560 176.434 174.900 -0.043 0.000 1.130 383 G CA 0.242 45.313 45.100 -0.049 0.000 0.784 383 G HN 0.269 nan 8.290 nan 0.000 0.543 384 L N 0.669 121.856 121.223 -0.060 0.000 2.408 384 L HA 0.331 4.672 4.340 0.001 0.000 0.215 384 L C 1.359 178.213 176.870 -0.027 0.000 1.081 384 L CA -0.260 54.554 54.840 -0.043 0.000 0.840 384 L CB -0.232 41.795 42.059 -0.054 0.000 1.002 384 L HN 0.253 nan 8.230 nan 0.000 0.468 385 I N -1.047 119.489 120.570 -0.056 0.000 2.754 385 I HA 0.099 4.270 4.170 0.001 0.000 0.285 385 I C -0.333 175.848 176.117 0.107 0.000 1.166 385 I CA 0.062 61.357 61.300 -0.009 0.000 1.417 385 I CB 0.475 38.369 38.000 -0.178 0.000 1.382 385 I HN 0.065 nan 8.210 nan 0.000 0.588 386 E N 5.007 125.333 120.200 0.210 0.000 2.199 386 E HA 0.445 4.795 4.350 0.001 0.000 0.269 386 E C -1.008 175.797 176.600 0.341 0.000 0.899 386 E CA -1.002 55.530 56.400 0.221 0.000 0.772 386 E CB 1.873 31.640 29.700 0.112 0.000 1.155 386 E HN 0.555 nan 8.360 nan 0.000 0.408 387 R N 1.831 122.491 120.500 0.266 0.000 2.623 387 R HA 0.320 4.661 4.340 0.001 0.000 0.271 387 R C 0.003 176.298 176.300 -0.009 0.000 1.043 387 R CA 0.416 56.531 56.100 0.024 0.000 1.083 387 R CB 0.434 30.715 30.300 -0.032 0.000 0.974 387 R HN 0.502 nan 8.270 nan 0.000 0.436 388 I N 0.000 120.517 120.570 -0.088 0.000 2.984 388 I HA 0.000 4.171 4.170 0.001 0.000 0.288 388 I CA 0.000 61.276 61.300 -0.040 0.000 1.566 388 I CB 0.000 38.008 38.000 0.014 0.000 1.214 388 I HN 0.000 nan 8.210 nan 0.000 0.494