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 2zxv_1_C DATA FIRST_RESID 1 DATA SEQUENCE MWAFPERFEG RHVRLEPLAL AHLPAFLRHY DPEVXRFLSR APVAPTEEAL DATA SEQUENCE RAHLEGLLGE PGRVNWAILF GKEVAGRISV IAPEPEHAKL ELGTMLFKPF DATA SEQUENCE WGSPANKEAK YLLLRHAFEV LRAERVQFKV DLRNERSQRA LEALGAVREG DATA SEQUENCE VLRKNRRLPD GAFRDDVVYS VLKEEWPGVK ARLEARLY 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 0.000 176.270 176.300 -0.050 0.000 1.140 1 M CA 0.000 55.188 55.300 -0.187 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.044 0.000 1.302 2 W N 1.249 122.626 121.300 0.128 0.000 2.030 2 W HA 0.743 5.403 4.660 0.000 0.000 0.360 2 W C 0.170 176.784 176.519 0.159 0.000 1.370 2 W CA -0.547 56.831 57.345 0.056 0.000 1.433 2 W CB 0.575 29.969 29.460 -0.110 0.000 1.204 2 W HN 0.696 nan 8.180 nan 0.000 0.649 3 A N 1.366 124.363 122.820 0.295 0.000 2.331 3 A HA 0.739 5.059 4.320 0.001 0.000 0.320 3 A C -1.756 175.991 177.584 0.270 0.000 1.138 3 A CA -0.519 51.709 52.037 0.318 0.000 0.790 3 A CB 0.366 19.490 19.000 0.207 0.000 1.206 3 A HN 0.305 nan 8.150 nan 0.000 0.470 4 F N 2.379 122.550 119.950 0.367 0.000 2.426 4 F HA 0.499 5.026 4.527 0.001 0.000 0.348 4 F C -2.040 173.966 175.800 0.343 0.000 1.124 4 F CA -2.294 55.982 58.000 0.460 0.000 1.008 4 F CB 1.314 40.726 39.000 0.687 0.000 1.139 4 F HN 0.355 nan 8.300 nan 0.000 0.452 5 P HA 0.055 nan 4.420 nan 0.000 0.267 5 P C 0.398 177.914 177.300 0.360 0.000 1.201 5 P CA 0.143 63.235 63.100 -0.013 0.000 0.775 5 P CB 0.870 32.156 31.700 -0.690 0.000 0.854 6 E N 1.177 121.532 120.200 0.258 0.000 2.086 6 E HA -0.031 4.319 4.350 0.001 0.000 0.190 6 E C 0.257 177.084 176.600 0.378 0.000 0.975 6 E CA 0.841 57.488 56.400 0.412 0.000 0.813 6 E CB 0.130 29.970 29.700 0.234 0.000 0.768 6 E HN 0.390 nan 8.360 nan 0.000 0.457 7 R N 0.026 120.615 120.500 0.148 0.000 2.750 7 R HA 0.475 4.816 4.340 0.001 0.000 0.281 7 R C -1.159 175.136 176.300 -0.008 0.000 0.972 7 R CA -0.589 55.599 56.100 0.148 0.000 0.912 7 R CB 1.452 31.806 30.300 0.091 0.000 1.187 7 R HN -0.115 nan 8.270 nan 0.000 0.464 8 F N 0.254 120.121 119.950 -0.138 0.000 2.598 8 F HA 0.489 5.016 4.527 0.001 0.000 0.327 8 F C 0.199 175.964 175.800 -0.059 0.000 1.057 8 F CA -0.815 57.100 58.000 -0.142 0.000 0.957 8 F CB 1.793 40.660 39.000 -0.222 0.000 1.278 8 F HN 0.186 nan 8.300 nan 0.000 0.484 9 E N -0.088 120.194 120.200 0.136 0.000 2.340 9 E HA 0.677 5.028 4.350 0.001 0.000 0.273 9 E C -0.242 176.439 176.600 0.135 0.000 0.891 9 E CA -0.557 55.903 56.400 0.100 0.000 0.757 9 E CB 2.287 32.009 29.700 0.038 0.000 1.231 9 E HN 0.772 nan 8.360 nan 0.000 0.439 10 G N 0.412 109.291 108.800 0.132 0.000 3.039 10 G HA2 0.273 4.234 3.960 0.001 0.000 0.202 10 G HA3 0.273 4.234 3.960 0.001 0.000 0.202 10 G C -0.055 174.911 174.900 0.111 0.000 1.151 10 G CA -0.350 44.861 45.100 0.185 0.000 0.836 10 G HN 0.351 nan 8.290 nan 0.000 0.598 11 R N -1.196 119.352 120.500 0.079 0.000 2.509 11 R HA 0.284 4.625 4.340 0.001 0.000 0.297 11 R C 0.688 176.766 176.300 -0.369 0.000 0.951 11 R CA 0.094 56.114 56.100 -0.134 0.000 1.103 11 R CB 0.254 30.496 30.300 -0.096 0.000 1.283 11 R HN 0.576 nan 8.270 nan 0.000 0.534 12 H N -1.404 117.751 119.070 0.142 0.000 2.916 12 H HA 0.183 4.739 4.556 0.001 0.000 0.229 12 H C 0.363 175.764 175.328 0.123 0.000 0.917 12 H CA 0.867 56.996 56.048 0.135 0.000 1.048 12 H CB 1.097 31.026 29.762 0.278 0.000 1.417 12 H HN 0.076 nan 8.280 nan 0.000 0.445 13 V N 0.180 120.251 119.914 0.262 0.000 3.159 13 V HA 0.719 4.840 4.120 0.001 0.000 0.308 13 V C -0.741 175.435 176.094 0.136 0.000 1.190 13 V CA -1.322 61.096 62.300 0.197 0.000 1.037 13 V CB 3.286 35.248 31.823 0.232 0.000 1.060 13 V HN 0.390 nan 8.190 nan 0.000 0.437 14 R N 2.159 122.725 120.500 0.110 0.000 2.533 14 R HA 0.777 5.117 4.340 0.001 0.000 0.288 14 R C -1.734 174.629 176.300 0.105 0.000 1.039 14 R CA -0.836 55.329 56.100 0.108 0.000 0.909 14 R CB 1.817 32.172 30.300 0.093 0.000 1.195 14 R HN 0.793 nan 8.270 nan 0.000 0.438 15 L N 2.324 123.606 121.223 0.098 0.000 2.439 15 L HA 0.531 4.872 4.340 0.001 0.000 0.259 15 L C 0.182 177.151 176.870 0.165 0.000 1.129 15 L CA -0.426 54.453 54.840 0.066 0.000 0.803 15 L CB 1.198 43.139 42.059 -0.196 0.000 1.161 15 L HN 0.888 nan 8.230 nan 0.000 0.462 16 E N 0.348 120.690 120.200 0.237 0.000 2.416 16 E HA 0.389 4.740 4.350 0.001 0.000 0.280 16 E C -2.888 173.943 176.600 0.384 0.000 1.055 16 E CA -2.179 54.402 56.400 0.301 0.000 0.825 16 E CB 1.504 31.347 29.700 0.237 0.000 1.312 16 E HN 0.136 nan 8.360 nan 0.000 0.452 17 P HA -0.019 nan 4.420 nan 0.000 0.258 17 P C -0.672 176.649 177.300 0.034 0.000 1.187 17 P CA -0.173 63.034 63.100 0.178 0.000 0.767 17 P CB 0.137 31.923 31.700 0.143 0.000 0.770 18 L N 4.493 125.666 121.223 -0.083 0.000 2.515 18 L HA 0.376 4.717 4.340 0.001 0.000 0.281 18 L C 0.206 177.009 176.870 -0.112 0.000 1.131 18 L CA 0.243 54.968 54.840 -0.193 0.000 0.905 18 L CB -1.020 40.944 42.059 -0.157 0.000 1.246 18 L HN 0.356 nan 8.230 nan 0.000 0.463 19 A N 4.102 126.916 122.820 -0.011 0.000 2.373 19 A HA 0.497 4.818 4.320 0.001 0.000 0.291 19 A C 0.460 178.114 177.584 0.115 0.000 1.171 19 A CA -0.558 51.524 52.037 0.075 0.000 0.922 19 A CB 0.469 19.552 19.000 0.139 0.000 1.400 19 A HN 0.703 nan 8.150 nan 0.000 0.474 20 L N -0.449 120.818 121.223 0.072 0.000 2.610 20 L HA 0.193 4.534 4.340 0.001 0.000 0.232 20 L C 2.126 179.054 176.870 0.097 0.000 1.149 20 L CA 1.870 56.737 54.840 0.045 0.000 0.872 20 L CB -0.691 41.374 42.059 0.009 0.000 0.992 20 L HN 0.706 nan 8.230 nan 0.000 0.447 21 A N -1.569 121.345 122.820 0.156 0.000 2.119 21 A HA -0.144 4.177 4.320 0.001 0.000 0.217 21 A C 1.505 179.121 177.584 0.052 0.000 1.153 21 A CA 1.144 53.230 52.037 0.081 0.000 0.692 21 A CB -0.786 18.233 19.000 0.031 0.000 0.799 21 A HN 0.634 nan 8.150 nan 0.000 0.458 22 H N -1.354 117.801 119.070 0.141 0.000 2.539 22 H HA 0.192 4.748 4.556 0.001 0.000 0.269 22 H C 1.489 177.026 175.328 0.348 0.000 0.980 22 H CA 0.248 56.459 56.048 0.270 0.000 1.152 22 H CB 0.082 30.070 29.762 0.376 0.000 1.407 22 H HN 0.372 nan 8.280 nan 0.000 0.564 23 L N 1.810 123.182 121.223 0.249 0.000 2.013 23 L HA -0.074 4.267 4.340 0.001 0.000 0.212 23 L C -0.842 176.186 176.870 0.262 0.000 1.073 23 L CA 1.840 56.777 54.840 0.162 0.000 0.753 23 L CB -0.953 41.136 42.059 0.051 0.000 0.890 23 L HN 0.113 nan 8.230 nan 0.000 0.432 24 P HA -0.192 nan 4.420 nan 0.000 0.217 24 P C 1.503 178.900 177.300 0.162 0.000 1.148 24 P CA 1.979 65.157 63.100 0.130 0.000 0.828 24 P CB -0.209 31.538 31.700 0.078 0.000 0.783 25 A N -1.251 121.750 122.820 0.302 0.000 1.873 25 A HA -0.176 4.144 4.320 0.001 0.000 0.215 25 A C 1.843 179.569 177.584 0.236 0.000 1.186 25 A CA 1.429 53.648 52.037 0.304 0.000 0.616 25 A CB -1.770 17.504 19.000 0.457 0.000 0.823 25 A HN 0.077 nan 8.150 nan 0.000 0.442 26 F N 0.347 120.460 119.950 0.273 0.000 2.269 26 F HA -0.079 4.448 4.527 0.001 0.000 0.301 26 F C 2.017 177.887 175.800 0.117 0.000 1.082 26 F CA 0.790 58.971 58.000 0.302 0.000 1.360 26 F CB -0.664 38.549 39.000 0.355 0.000 1.041 26 F HN 0.101 nan 8.300 nan 0.000 0.512 27 L N -0.315 121.045 121.223 0.227 0.000 1.961 27 L HA -0.197 4.143 4.340 0.001 0.000 0.210 27 L C 2.608 179.471 176.870 -0.011 0.000 1.072 27 L CA 1.547 56.429 54.840 0.069 0.000 0.749 27 L CB -0.711 41.367 42.059 0.030 0.000 0.889 27 L HN -0.015 nan 8.230 nan 0.000 0.432 28 R N -0.935 119.486 120.500 -0.133 0.000 2.092 28 R HA -0.079 4.261 4.340 0.001 0.000 0.231 28 R C 0.950 177.029 176.300 -0.368 0.000 1.119 28 R CA 0.777 56.711 56.100 -0.277 0.000 0.970 28 R CB -0.324 29.719 30.300 -0.428 0.000 0.864 28 R HN 0.411 nan 8.270 nan 0.000 0.440 29 H N -0.248 118.635 119.070 -0.313 0.000 2.672 29 H HA 0.049 4.605 4.556 0.001 0.000 0.262 29 H C -0.948 174.198 175.328 -0.303 0.000 1.577 29 H CA -0.212 55.481 56.048 -0.592 0.000 1.183 29 H CB -0.805 27.969 29.762 -1.647 0.000 1.546 29 H HN 0.112 nan 8.280 nan 0.000 0.502 30 Y N 1.576 121.811 120.300 -0.107 0.000 2.334 30 Y HA 0.367 4.917 4.550 0.001 0.000 0.328 30 Y C -0.374 175.528 175.900 0.004 0.000 1.130 30 Y CA -0.914 57.188 58.100 0.003 0.000 1.163 30 Y CB 1.074 39.541 38.460 0.010 0.000 1.207 30 Y HN 0.206 nan 8.280 nan 0.000 0.471 31 D N 6.942 126.924 120.400 -0.697 0.000 2.614 31 D HA 0.175 4.816 4.640 0.001 0.000 0.203 31 D C -2.539 173.445 176.300 -0.526 0.000 1.312 31 D CA -1.247 52.428 54.000 -0.540 0.000 0.889 31 D CB 2.386 43.062 40.800 -0.207 0.000 1.615 31 D HN 0.277 nan 8.370 nan 0.000 0.567 32 P HA -0.098 nan 4.420 nan 0.000 0.224 32 P C 0.905 178.108 177.300 -0.161 0.000 1.142 32 P CA 0.835 63.767 63.100 -0.281 0.000 0.778 32 P CB 0.411 32.002 31.700 -0.181 0.000 0.764 33 E N -0.649 119.492 120.200 -0.098 0.000 2.318 33 E HA -0.006 4.345 4.350 0.001 0.000 0.193 33 E C 0.553 177.228 176.600 0.124 0.000 0.998 33 E CA 0.194 56.596 56.400 0.004 0.000 0.859 33 E CB 0.226 29.997 29.700 0.118 0.000 0.812 33 E HN -0.021 nan 8.360 nan 0.000 0.492 37 F N 2.417 122.391 119.950 0.040 0.000 2.855 37 F HA 0.550 5.078 4.527 0.001 0.000 0.317 37 F C -0.135 175.689 175.800 0.041 0.000 1.169 37 F CA -0.494 57.524 58.000 0.029 0.000 1.299 37 F CB 0.804 39.804 39.000 0.002 0.000 0.962 37 F HN -0.110 nan 8.300 nan 0.000 0.506 38 L N -0.704 120.620 121.223 0.167 0.000 2.354 38 L HA 0.360 4.700 4.340 0.001 0.000 0.264 38 L C 1.399 178.337 176.870 0.113 0.000 1.008 38 L CA -0.641 54.285 54.840 0.143 0.000 0.819 38 L CB 2.132 44.279 42.059 0.147 0.000 1.339 38 L HN 0.013 nan 8.230 nan 0.000 0.420 39 S N 0.344 116.108 115.700 0.107 0.000 2.481 39 S HA 0.059 4.529 4.470 0.001 0.000 0.231 39 S C 0.708 175.362 174.600 0.090 0.000 0.996 39 S CA 0.347 58.600 58.200 0.089 0.000 0.942 39 S CB -0.074 63.172 63.200 0.077 0.000 0.768 39 S HN 0.622 nan 8.310 nan 0.000 0.520 40 R N 0.854 121.428 120.500 0.123 0.000 2.473 40 R HA 0.709 5.050 4.340 0.001 0.000 0.303 40 R C -1.148 175.281 176.300 0.215 0.000 1.002 40 R CA -0.138 56.062 56.100 0.166 0.000 0.884 40 R CB 1.947 32.354 30.300 0.178 0.000 1.173 40 R HN 0.297 nan 8.270 nan 0.000 0.464 41 A N 4.124 127.015 122.820 0.117 0.000 2.356 41 A HA 0.772 5.093 4.320 0.001 0.000 0.323 41 A C -2.365 175.202 177.584 -0.028 0.000 1.119 41 A CA -1.777 50.270 52.037 0.016 0.000 0.790 41 A CB 0.815 19.826 19.000 0.019 0.000 1.273 41 A HN 0.389 nan 8.150 nan 0.000 0.452 42 P HA 0.152 nan 4.420 nan 0.000 0.271 42 P C 0.822 178.126 177.300 0.006 0.000 1.233 42 P CA -0.333 62.717 63.100 -0.083 0.000 0.795 42 P CB 0.415 32.082 31.700 -0.056 0.000 0.936 43 V N -0.793 119.125 119.914 0.007 0.000 2.500 43 V HA 0.242 4.363 4.120 0.001 0.000 0.243 43 V C 0.836 176.930 176.094 -0.000 0.000 1.039 43 V CA 1.883 64.188 62.300 0.008 0.000 1.053 43 V CB -0.792 31.034 31.823 0.005 0.000 0.695 43 V HN 0.767 nan 8.190 nan 0.000 0.463 44 A N -1.061 121.743 122.820 -0.027 0.000 2.608 44 A HA 0.669 4.990 4.320 0.001 0.000 0.292 44 A C -2.970 174.522 177.584 -0.153 0.000 1.066 44 A CA -0.958 51.053 52.037 -0.043 0.000 0.676 44 A CB 0.604 19.582 19.000 -0.036 0.000 1.277 44 A HN 0.085 nan 8.150 nan 0.000 0.413 45 P HA 0.127 nan 4.420 nan 0.000 0.251 45 P C -0.237 176.871 177.300 -0.320 0.000 1.624 45 P CA 1.074 63.892 63.100 -0.470 0.000 0.907 45 P CB -0.513 31.090 31.700 -0.163 0.000 1.867 46 T N -4.762 109.638 114.554 -0.257 0.000 2.864 46 T HA 0.275 4.625 4.350 0.001 0.000 0.299 46 T C 0.937 175.562 174.700 -0.126 0.000 1.166 46 T CA -0.821 61.186 62.100 -0.154 0.000 1.007 46 T CB 1.934 70.746 68.868 -0.092 0.000 1.219 46 T HN 0.012 nan 8.240 nan 0.000 0.506 47 E N 0.318 120.469 120.200 -0.081 0.000 2.110 47 E HA -0.213 4.137 4.350 0.001 0.000 0.193 47 E C 1.708 178.284 176.600 -0.040 0.000 0.988 47 E CA 1.464 57.834 56.400 -0.050 0.000 0.804 47 E CB -0.010 29.672 29.700 -0.032 0.000 0.745 47 E HN 0.821 nan 8.360 nan 0.000 0.458 48 E N 0.004 120.180 120.200 -0.040 0.000 2.058 48 E HA -0.248 4.103 4.350 0.001 0.000 0.194 48 E C 1.892 178.477 176.600 -0.026 0.000 0.997 48 E CA 1.247 57.629 56.400 -0.029 0.000 0.801 48 E CB -0.158 29.526 29.700 -0.028 0.000 0.746 48 E HN 0.337 nan 8.360 nan 0.000 0.450 49 A N 1.104 123.901 122.820 -0.037 0.000 1.841 49 A HA -0.122 4.199 4.320 0.001 0.000 0.214 49 A C 2.258 179.839 177.584 -0.005 0.000 1.195 49 A CA 1.221 53.243 52.037 -0.025 0.000 0.611 49 A CB -0.808 18.163 19.000 -0.047 0.000 0.835 49 A HN 0.317 nan 8.150 nan 0.000 0.443 50 L N -0.842 120.364 121.223 -0.028 0.000 2.127 50 L HA -0.218 4.122 4.340 0.001 0.000 0.211 50 L C 2.791 179.668 176.870 0.012 0.000 1.089 50 L CA 1.796 56.641 54.840 0.008 0.000 0.757 50 L CB -0.510 41.552 42.059 0.005 0.000 0.899 50 L HN 0.491 nan 8.230 nan 0.000 0.434 51 R N 0.492 120.984 120.500 -0.013 0.000 2.075 51 R HA -0.152 4.189 4.340 0.001 0.000 0.232 51 R C 2.299 178.585 176.300 -0.023 0.000 1.126 51 R CA 1.405 57.487 56.100 -0.029 0.000 0.963 51 R CB -0.206 30.080 30.300 -0.024 0.000 0.858 51 R HN 0.324 nan 8.270 nan 0.000 0.435 52 A N -0.212 122.608 122.820 -0.000 0.000 2.067 52 A HA -0.174 4.147 4.320 0.001 0.000 0.219 52 A C 1.788 179.383 177.584 0.019 0.000 1.158 52 A CA 1.491 53.529 52.037 0.001 0.000 0.661 52 A CB -0.669 18.336 19.000 0.009 0.000 0.801 52 A HN 0.574 nan 8.150 nan 0.000 0.452 53 H N 0.003 119.038 119.070 -0.060 0.000 2.293 53 H HA -0.070 4.486 4.556 0.001 0.000 0.300 53 H C 1.569 176.844 175.328 -0.088 0.000 1.082 53 H CA 2.088 58.104 56.048 -0.054 0.000 1.308 53 H CB -0.253 29.488 29.762 -0.034 0.000 1.375 53 H HN 0.294 nan 8.280 nan 0.000 0.495 54 L N 0.799 121.901 121.223 -0.203 0.000 2.131 54 L HA -0.116 4.224 4.340 0.001 0.000 0.210 54 L C 2.353 179.100 176.870 -0.204 0.000 1.092 54 L CA 1.434 56.106 54.840 -0.279 0.000 0.759 54 L CB -0.618 41.286 42.059 -0.259 0.000 0.903 54 L HN 0.340 nan 8.230 nan 0.000 0.435 55 E N -0.188 119.930 120.200 -0.138 0.000 2.110 55 E HA -0.132 4.218 4.350 0.001 0.000 0.193 55 E C 2.272 178.804 176.600 -0.114 0.000 0.988 55 E CA 1.294 57.632 56.400 -0.104 0.000 0.804 55 E CB -0.492 29.168 29.700 -0.066 0.000 0.745 55 E HN 0.526 nan 8.360 nan 0.000 0.458 56 G N 1.107 109.831 108.800 -0.128 0.000 2.403 56 G HA2 -0.150 3.810 3.960 0.001 0.000 0.216 56 G HA3 -0.150 3.810 3.960 0.001 0.000 0.216 56 G C 1.763 176.570 174.900 -0.156 0.000 1.154 56 G CA 0.232 45.261 45.100 -0.118 0.000 0.784 56 G HN 0.143 nan 8.290 nan 0.000 0.538 57 L N -0.045 121.037 121.223 -0.234 0.000 2.083 57 L HA 0.026 4.366 4.340 0.001 0.000 0.209 57 L C 2.376 179.129 176.870 -0.196 0.000 1.083 57 L CA 0.698 55.397 54.840 -0.235 0.000 0.752 57 L CB -0.320 41.556 42.059 -0.304 0.000 0.899 57 L HN 0.156 nan 8.230 nan 0.000 0.433 58 L N -0.638 120.475 121.223 -0.183 0.000 2.627 58 L HA 0.104 4.445 4.340 0.001 0.000 0.232 58 L C 2.026 178.818 176.870 -0.131 0.000 1.150 58 L CA 0.142 54.883 54.840 -0.166 0.000 0.917 58 L CB -0.371 41.598 42.059 -0.150 0.000 1.104 58 L HN 0.203 nan 8.230 nan 0.000 0.445 59 G N 0.202 108.930 108.800 -0.120 0.000 2.556 59 G HA2 -0.054 3.907 3.960 0.001 0.000 0.209 59 G HA3 -0.054 3.907 3.960 0.001 0.000 0.209 59 G C 0.478 175.326 174.900 -0.087 0.000 1.159 59 G CA -0.242 44.803 45.100 -0.092 0.000 0.828 59 G HN 0.506 nan 8.290 nan 0.000 0.553 60 E N 2.172 122.316 120.200 -0.093 0.000 2.406 60 E HA 0.221 4.572 4.350 0.001 0.000 0.258 60 E C -2.491 174.053 176.600 -0.094 0.000 1.043 60 E CA -1.587 54.764 56.400 -0.082 0.000 0.929 60 E CB 0.392 30.044 29.700 -0.080 0.000 0.969 60 E HN 0.066 nan 8.360 nan 0.000 0.462 61 P HA -0.001 nan 4.420 nan 0.000 0.265 61 P C 0.874 178.118 177.300 -0.093 0.000 1.187 61 P CA 1.234 64.286 63.100 -0.080 0.000 0.766 61 P CB 0.794 32.459 31.700 -0.059 0.000 0.820 62 G N 2.021 110.755 108.800 -0.109 0.000 2.336 62 G HA2 -0.281 3.679 3.960 0.001 0.000 0.233 62 G HA3 -0.281 3.679 3.960 0.001 0.000 0.233 62 G C 0.435 175.213 174.900 -0.203 0.000 1.053 62 G CA -0.044 44.981 45.100 -0.125 0.000 0.625 62 G HN 0.725 nan 8.290 nan 0.000 0.511 63 R N 0.583 120.959 120.500 -0.207 0.000 2.340 63 R HA 0.530 4.871 4.340 0.001 0.000 0.300 63 R C -0.688 175.386 176.300 -0.376 0.000 1.069 63 R CA -0.145 55.791 56.100 -0.272 0.000 0.984 63 R CB 0.854 31.030 30.300 -0.207 0.000 1.003 63 R HN 0.133 nan 8.270 nan 0.000 0.459 64 V N 5.960 125.537 119.914 -0.562 0.000 2.349 64 V HA 0.221 4.342 4.120 0.001 0.000 0.284 64 V C -0.327 175.136 176.094 -1.052 0.000 1.014 64 V CA -1.036 60.786 62.300 -0.796 0.000 0.826 64 V CB 1.199 32.427 31.823 -0.990 0.000 1.009 64 V HN 0.820 nan 8.190 nan 0.000 0.431 65 N N 3.441 121.692 118.700 -0.748 0.000 2.467 65 N HA 0.408 5.148 4.740 0.001 0.000 0.262 65 N C -0.991 174.104 175.510 -0.691 0.000 1.234 65 N CA -0.141 52.571 53.050 -0.562 0.000 0.952 65 N CB 1.419 39.723 38.487 -0.305 0.000 1.158 65 N HN 0.536 nan 8.380 nan 0.000 0.463 66 W N -0.737 120.514 121.300 -0.081 0.000 3.217 66 W HA 0.441 5.101 4.660 0.001 0.000 0.323 66 W C -0.940 175.527 176.519 -0.087 0.000 1.216 66 W CA -0.899 56.398 57.345 -0.080 0.000 1.194 66 W CB 1.448 30.847 29.460 -0.101 0.000 1.397 66 W HN 0.371 nan 8.180 nan 0.000 0.537 67 A N 3.656 126.553 122.820 0.129 0.000 2.249 67 A HA 0.646 4.967 4.320 0.001 0.000 0.314 67 A C -0.359 177.270 177.584 0.075 0.000 1.290 67 A CA -0.532 51.520 52.037 0.026 0.000 0.893 67 A CB 0.142 19.000 19.000 -0.238 0.000 1.165 67 A HN 0.505 nan 8.150 nan 0.000 0.530 68 I N 3.181 123.770 120.570 0.032 0.000 2.517 68 I HA 0.076 4.246 4.170 0.001 0.000 0.285 68 I C -0.465 175.661 176.117 0.016 0.000 1.106 68 I CA 0.479 61.783 61.300 0.007 0.000 1.402 68 I CB 0.442 38.408 38.000 -0.056 0.000 1.399 68 I HN 0.473 nan 8.210 nan 0.000 0.535 69 L N 7.460 128.721 121.223 0.064 0.000 2.324 69 L HA 0.290 4.630 4.340 0.001 0.000 0.274 69 L C -0.326 176.607 176.870 0.105 0.000 1.012 69 L CA -0.486 54.401 54.840 0.078 0.000 0.859 69 L CB 1.083 43.208 42.059 0.110 0.000 1.224 69 L HN 0.500 nan 8.230 nan 0.000 0.429 70 F N 4.097 123.979 119.950 -0.114 0.000 2.640 70 F HA 0.498 5.025 4.527 0.001 0.000 0.354 70 F C 1.083 176.882 175.800 -0.001 0.000 1.213 70 F CA 0.446 58.403 58.000 -0.071 0.000 1.314 70 F CB -0.481 38.415 39.000 -0.173 0.000 1.679 70 F HN 0.696 nan 8.300 nan 0.000 0.622 71 G N 3.107 111.811 108.800 -0.159 0.000 3.076 71 G HA2 -0.359 3.602 3.960 0.001 0.000 0.256 71 G HA3 -0.359 3.602 3.960 0.001 0.000 0.256 71 G C 0.947 175.821 174.900 -0.044 0.000 1.589 71 G CA 0.206 45.204 45.100 -0.170 0.000 1.044 71 G HN 0.497 nan 8.290 nan 0.000 0.563 72 K N 1.019 121.409 120.400 -0.018 0.000 2.354 72 K HA 0.247 4.568 4.320 0.001 0.000 0.194 72 K C 0.463 177.107 176.600 0.074 0.000 1.038 72 K CA 0.452 56.757 56.287 0.031 0.000 1.052 72 K CB 0.105 32.623 32.500 0.031 0.000 0.861 72 K HN 0.426 nan 8.250 nan 0.000 0.535 73 E N 0.419 120.676 120.200 0.095 0.000 2.284 73 E HA 0.215 4.565 4.350 0.001 0.000 0.255 73 E C -0.777 175.864 176.600 0.069 0.000 1.052 73 E CA -0.743 55.742 56.400 0.142 0.000 0.904 73 E CB 1.802 31.655 29.700 0.256 0.000 1.217 73 E HN -0.186 nan 8.360 nan 0.000 0.438 74 V N 1.770 121.720 119.914 0.060 0.000 2.304 74 V HA 0.206 4.326 4.120 0.001 0.000 0.278 74 V C 0.991 176.901 176.094 -0.308 0.000 1.018 74 V CA -0.138 62.171 62.300 0.014 0.000 0.814 74 V CB 0.638 32.609 31.823 0.247 0.000 1.021 74 V HN 0.801 nan 8.190 nan 0.000 0.440 75 A N 3.729 126.181 122.820 -0.613 0.000 1.902 75 A HA 0.357 4.678 4.320 0.001 0.000 0.217 75 A C 1.457 178.685 177.584 -0.593 0.000 1.181 75 A CA 1.975 53.402 52.037 -1.016 0.000 0.623 75 A CB -0.240 18.394 19.000 -0.610 0.000 0.818 75 A HN 1.239 nan 8.150 nan 0.000 0.443 76 G N -1.937 106.577 108.800 -0.477 0.000 2.609 76 G HA2 0.478 4.438 3.960 0.001 0.000 0.082 76 G HA3 0.478 4.438 3.960 0.001 0.000 0.082 76 G C -1.163 173.570 174.900 -0.280 0.000 1.075 76 G CA 0.105 44.819 45.100 -0.644 0.000 1.172 76 G HN 1.112 nan 8.290 nan 0.000 0.532 77 R N -0.981 119.430 120.500 -0.148 0.000 2.712 77 R HA 0.843 5.184 4.340 0.001 0.000 0.272 77 R C -1.559 174.762 176.300 0.036 0.000 1.032 77 R CA -0.626 55.479 56.100 0.008 0.000 0.874 77 R CB 0.886 31.255 30.300 0.115 0.000 1.256 77 R HN 1.254 nan 8.270 nan 0.000 0.468 78 I N 0.686 121.312 120.570 0.094 0.000 2.841 78 I HA 0.770 4.941 4.170 0.001 0.000 0.298 78 I C -1.461 174.771 176.117 0.192 0.000 1.304 78 I CA -0.202 61.167 61.300 0.114 0.000 1.019 78 I CB 2.380 40.435 38.000 0.093 0.000 1.282 78 I HN 1.114 nan 8.210 nan 0.000 0.432 79 S N 5.004 120.771 115.700 0.112 0.000 2.656 79 S HA 0.733 5.203 4.470 0.001 0.000 0.273 79 S C -1.440 173.160 174.600 0.001 0.000 1.168 79 S CA -0.771 57.434 58.200 0.009 0.000 0.817 79 S CB 1.809 64.900 63.200 -0.182 0.000 1.146 79 S HN 0.413 nan 8.310 nan 0.000 0.475 80 V N 1.357 121.203 119.914 -0.113 0.000 2.472 80 V HA 0.578 4.698 4.120 0.001 0.000 0.290 80 V C -0.492 175.510 176.094 -0.152 0.000 1.037 80 V CA -0.597 61.645 62.300 -0.097 0.000 0.908 80 V CB 1.061 32.816 31.823 -0.114 0.000 0.985 80 V HN 0.801 nan 8.190 nan 0.000 0.454 81 I N 2.737 123.245 120.570 -0.102 0.000 2.569 81 I HA 0.621 4.791 4.170 0.001 0.000 0.296 81 I C 0.659 176.747 176.117 -0.049 0.000 1.028 81 I CA -0.957 60.290 61.300 -0.087 0.000 1.082 81 I CB 1.816 39.772 38.000 -0.073 0.000 1.264 81 I HN 0.828 nan 8.210 nan 0.000 0.429 82 A N 4.834 127.629 122.820 -0.041 0.000 2.610 82 A HA -0.124 4.196 4.320 0.001 0.000 0.299 82 A C -2.421 175.184 177.584 0.035 0.000 1.487 82 A CA -0.466 51.566 52.037 -0.009 0.000 0.743 82 A CB -2.075 16.924 19.000 -0.003 0.000 1.070 82 A HN 0.483 nan 8.150 nan 0.000 0.439 83 P HA 0.265 nan 4.420 nan 0.000 0.263 83 P C -0.148 177.186 177.300 0.058 0.000 1.247 83 P CA 0.758 63.961 63.100 0.172 0.000 0.876 83 P CB 0.268 32.085 31.700 0.195 0.000 0.928 84 E N 5.760 126.016 120.200 0.094 0.000 2.103 84 E HA 0.139 4.490 4.350 0.001 0.000 0.254 84 E C -1.847 174.632 176.600 -0.200 0.000 0.940 84 E CA -1.862 54.530 56.400 -0.014 0.000 0.771 84 E CB 0.904 30.696 29.700 0.154 0.000 1.153 84 E HN 0.329 nan 8.360 nan 0.000 0.428 85 P HA -0.266 nan 4.420 nan 0.000 0.214 85 P C 1.457 178.555 177.300 -0.336 0.000 1.163 85 P CA 1.200 63.663 63.100 -1.062 0.000 0.883 85 P CB 0.248 31.301 31.700 -1.078 0.000 0.788 86 E N -0.468 119.551 120.200 -0.302 0.000 2.097 86 E HA -0.259 4.091 4.350 0.001 0.000 0.196 86 E C 1.495 177.973 176.600 -0.203 0.000 1.000 86 E CA 1.792 58.032 56.400 -0.266 0.000 0.804 86 E CB -1.741 27.727 29.700 -0.388 0.000 0.740 86 E HN 0.445 nan 8.360 nan 0.000 0.454 87 H N 0.924 120.002 119.070 0.012 0.000 2.539 87 H HA 0.404 4.960 4.556 0.001 0.000 0.267 87 H C 0.680 176.087 175.328 0.132 0.000 0.982 87 H CA 0.657 56.741 56.048 0.061 0.000 1.146 87 H CB 0.093 29.883 29.762 0.048 0.000 1.382 87 H HN 0.356 nan 8.280 nan 0.000 0.577 88 A N 1.681 124.680 122.820 0.299 0.000 2.610 88 A HA -0.250 4.070 4.320 0.001 0.000 0.299 88 A C 0.519 178.321 177.584 0.364 0.000 1.487 88 A CA 1.405 53.709 52.037 0.443 0.000 0.743 88 A CB -2.063 17.108 19.000 0.284 0.000 1.070 88 A HN 0.700 nan 8.150 nan 0.000 0.439 89 K N -1.403 119.256 120.400 0.432 0.000 2.533 89 K HA 0.907 5.227 4.320 0.001 0.000 0.284 89 K C -0.639 176.118 176.600 0.263 0.000 1.025 89 K CA -0.635 55.793 56.287 0.235 0.000 0.900 89 K CB 1.316 33.913 32.500 0.163 0.000 1.519 89 K HN 1.261 nan 8.250 nan 0.000 0.432 90 L N -3.174 118.108 121.223 0.098 0.000 3.064 90 L HA 0.612 4.953 4.340 0.001 0.000 0.282 90 L C -1.506 175.322 176.870 -0.070 0.000 1.045 90 L CA -0.684 54.203 54.840 0.078 0.000 0.986 90 L CB 1.210 43.358 42.059 0.147 0.000 1.571 90 L HN 0.923 nan 8.230 nan 0.000 0.377 91 E N 0.006 120.143 120.200 -0.106 0.000 2.343 91 E HA 0.828 5.178 4.350 0.001 0.000 0.270 91 E C -1.920 174.512 176.600 -0.281 0.000 0.895 91 E CA -0.809 55.446 56.400 -0.241 0.000 0.767 91 E CB 2.255 31.867 29.700 -0.147 0.000 1.248 91 E HN 0.710 nan 8.360 nan 0.000 0.440 92 L N 2.324 123.249 121.223 -0.497 0.000 2.409 92 L HA 0.654 4.995 4.340 0.001 0.000 0.272 92 L C -0.217 176.558 176.870 -0.157 0.000 0.980 92 L CA -0.915 53.738 54.840 -0.312 0.000 0.826 92 L CB 2.212 44.072 42.059 -0.331 0.000 1.268 92 L HN 0.664 nan 8.230 nan 0.000 0.407 93 G N 0.672 109.458 108.800 -0.024 0.000 2.644 93 G HA2 0.562 4.522 3.960 0.001 0.000 0.300 93 G HA3 0.562 4.522 3.960 0.001 0.000 0.300 93 G C -0.343 174.596 174.900 0.063 0.000 1.395 93 G CA -0.325 44.798 45.100 0.038 0.000 0.964 93 G HN 0.486 nan 8.290 nan 0.000 0.511 94 T N 0.310 114.914 114.554 0.083 0.000 2.928 94 T HA 0.740 5.090 4.350 0.001 0.000 0.284 94 T C -0.024 174.707 174.700 0.051 0.000 1.008 94 T CA -0.883 61.254 62.100 0.061 0.000 1.057 94 T CB 2.032 70.935 68.868 0.057 0.000 1.018 94 T HN 0.451 nan 8.240 nan 0.000 0.493 95 M N 3.433 123.049 119.600 0.026 0.000 2.213 95 M HA 0.408 4.888 4.480 0.001 0.000 0.243 95 M C -2.548 173.691 176.300 -0.101 0.000 0.979 95 M CA -0.873 54.439 55.300 0.020 0.000 1.037 95 M CB 0.684 33.316 32.600 0.053 0.000 2.200 95 M HN 0.630 nan 8.290 nan 0.000 0.465 96 L N 4.511 125.731 121.223 -0.005 0.000 2.334 96 L HA 0.664 5.004 4.340 0.001 0.000 0.276 96 L C -0.299 176.567 176.870 -0.007 0.000 1.014 96 L CA -0.208 54.572 54.840 -0.100 0.000 0.815 96 L CB 1.176 43.281 42.059 0.075 0.000 1.268 96 L HN 0.426 nan 8.230 nan 0.000 0.428 97 F N 0.909 120.885 119.950 0.043 0.000 2.535 97 F HA 0.073 4.600 4.527 0.001 0.000 0.332 97 F C 1.795 177.144 175.800 -0.753 0.000 1.208 97 F CA -0.038 57.864 58.000 -0.164 0.000 1.330 97 F CB 0.233 39.161 39.000 -0.121 0.000 1.167 97 F HN 0.568 nan 8.300 nan 0.000 0.597 98 K N 1.193 121.052 120.400 -0.902 0.000 2.032 98 K HA -0.130 4.191 4.320 0.001 0.000 0.209 98 K C -0.995 174.879 176.600 -1.210 0.000 1.048 98 K CA 1.387 56.492 56.287 -1.969 0.000 0.927 98 K CB -1.158 30.635 32.500 -1.177 0.000 0.712 98 K HN 0.331 nan 8.250 nan 0.000 0.441 99 P HA -0.067 nan 4.420 nan 0.000 0.250 99 P C -0.495 176.225 177.300 -0.966 0.000 1.239 99 P CA 0.853 63.471 63.100 -0.803 0.000 0.756 99 P CB -0.007 31.182 31.700 -0.852 0.000 1.013 100 F N -3.810 115.918 119.950 -0.371 0.000 2.817 100 F HA 0.260 4.788 4.527 0.001 0.000 0.319 100 F C 0.256 175.985 175.800 -0.120 0.000 1.136 100 F CA -0.940 56.906 58.000 -0.258 0.000 1.177 100 F CB -0.152 38.712 39.000 -0.226 0.000 1.088 100 F HN -0.128 nan 8.300 nan 0.000 0.520 101 W N 1.175 122.476 121.300 0.001 0.000 2.287 101 W HA 0.516 5.176 4.660 0.001 0.000 0.313 101 W C 1.140 177.619 176.519 -0.066 0.000 1.267 101 W CA -0.137 57.188 57.345 -0.034 0.000 1.201 101 W CB 0.595 30.037 29.460 -0.029 0.000 1.196 101 W HN 0.332 nan 8.180 nan 0.000 0.536 102 G N 1.512 110.394 108.800 0.136 0.000 2.232 102 G HA2 -0.277 3.683 3.960 0.001 0.000 0.226 102 G HA3 -0.277 3.683 3.960 0.001 0.000 0.226 102 G C 0.305 175.175 174.900 -0.049 0.000 0.996 102 G CA 0.051 45.167 45.100 0.026 0.000 0.626 102 G HN 0.675 nan 8.290 nan 0.000 0.509 103 S N 0.731 116.373 115.700 -0.097 0.000 2.584 103 S HA 0.600 5.071 4.470 0.001 0.000 0.273 103 S C -1.142 173.322 174.600 -0.226 0.000 1.311 103 S CA -0.595 57.458 58.200 -0.246 0.000 1.034 103 S CB 2.025 64.909 63.200 -0.527 0.000 0.939 103 S HN 0.008 nan 8.310 nan 0.000 0.513 104 P HA 0.004 nan 4.420 nan 0.000 0.234 104 P C 1.244 178.506 177.300 -0.063 0.000 1.162 104 P CA 1.037 64.039 63.100 -0.164 0.000 0.759 104 P CB -0.266 31.246 31.700 -0.314 0.000 0.813 105 A N -0.007 122.733 122.820 -0.133 0.000 2.024 105 A HA -0.241 4.080 4.320 0.001 0.000 0.220 105 A C 2.294 179.863 177.584 -0.024 0.000 1.164 105 A CA 1.767 53.772 52.037 -0.054 0.000 0.643 105 A CB -1.097 17.767 19.000 -0.227 0.000 0.806 105 A HN 0.214 nan 8.150 nan 0.000 0.451 106 N N -0.466 118.212 118.700 -0.037 0.000 2.402 106 N HA -0.025 4.715 4.740 0.001 0.000 0.174 106 N C 1.493 177.007 175.510 0.008 0.000 1.027 106 N CA 0.909 53.954 53.050 -0.010 0.000 0.891 106 N CB -0.081 38.400 38.487 -0.011 0.000 1.016 106 N HN 0.531 nan 8.380 nan 0.000 0.439 107 K N 0.701 121.100 120.400 -0.002 0.000 2.025 107 K HA -0.036 4.284 4.320 0.001 0.000 0.207 107 K C 1.703 178.356 176.600 0.089 0.000 1.049 107 K CA 1.094 57.388 56.287 0.012 0.000 0.933 107 K CB 0.034 32.509 32.500 -0.042 0.000 0.714 107 K HN 0.282 nan 8.250 nan 0.000 0.438 108 E N 0.709 120.973 120.200 0.108 0.000 2.152 108 E HA -0.099 4.252 4.350 0.001 0.000 0.192 108 E C 2.089 178.790 176.600 0.168 0.000 0.983 108 E CA 0.647 57.173 56.400 0.210 0.000 0.818 108 E CB -0.062 29.769 29.700 0.217 0.000 0.758 108 E HN 0.292 nan 8.360 nan 0.000 0.467 109 A N 2.044 124.912 122.820 0.081 0.000 1.917 109 A HA -0.280 4.041 4.320 0.001 0.000 0.219 109 A C 1.966 179.552 177.584 0.003 0.000 1.182 109 A CA 1.757 53.796 52.037 0.004 0.000 0.633 109 A CB -0.286 18.718 19.000 0.006 0.000 0.819 109 A HN 0.079 nan 8.150 nan 0.000 0.448 110 K N -2.274 118.181 120.400 0.092 0.000 2.067 110 K HA -0.021 4.300 4.320 0.001 0.000 0.203 110 K C 2.033 178.737 176.600 0.172 0.000 1.048 110 K CA 1.137 57.506 56.287 0.137 0.000 0.954 110 K CB -0.399 32.208 32.500 0.178 0.000 0.737 110 K HN 0.486 nan 8.250 nan 0.000 0.444 111 Y N 2.591 122.968 120.300 0.130 0.000 2.114 111 Y HA -0.259 4.292 4.550 0.001 0.000 0.282 111 Y C 1.756 177.796 175.900 0.233 0.000 1.165 111 Y CA 1.433 59.681 58.100 0.247 0.000 1.148 111 Y CB -0.444 38.151 38.460 0.225 0.000 0.972 111 Y HN -0.059 nan 8.280 nan 0.000 0.504 112 L N -0.763 120.481 121.223 0.035 0.000 2.012 112 L HA -0.268 4.072 4.340 0.001 0.000 0.210 112 L C 2.508 179.352 176.870 -0.043 0.000 1.073 112 L CA 1.528 56.349 54.840 -0.032 0.000 0.748 112 L CB -0.698 41.349 42.059 -0.020 0.000 0.891 112 L HN 0.283 nan 8.230 nan 0.000 0.431 113 L N -0.794 120.336 121.223 -0.155 0.000 2.095 113 L HA -0.157 4.184 4.340 0.001 0.000 0.204 113 L C 2.500 179.278 176.870 -0.153 0.000 1.080 113 L CA 0.804 55.568 54.840 -0.127 0.000 0.759 113 L CB -0.407 41.564 42.059 -0.146 0.000 0.914 113 L HN 0.241 nan 8.230 nan 0.000 0.439 114 L N -0.203 120.898 121.223 -0.204 0.000 2.127 114 L HA -0.231 4.109 4.340 0.001 0.000 0.211 114 L C 2.808 179.324 176.870 -0.591 0.000 1.089 114 L CA 1.260 55.802 54.840 -0.496 0.000 0.757 114 L CB -0.529 41.242 42.059 -0.480 0.000 0.899 114 L HN 0.297 nan 8.230 nan 0.000 0.434 115 R N -0.664 119.752 120.500 -0.140 0.000 2.090 115 R HA -0.191 4.149 4.340 0.001 0.000 0.228 115 R C 2.368 178.701 176.300 0.055 0.000 1.110 115 R CA 1.269 57.484 56.100 0.191 0.000 0.973 115 R CB -0.139 30.226 30.300 0.109 0.000 0.869 115 R HN 0.338 nan 8.270 nan 0.000 0.440 116 H N -0.175 118.822 119.070 -0.122 0.000 2.529 116 H HA 0.190 4.747 4.556 0.001 0.000 0.277 116 H C 1.404 176.531 175.328 -0.335 0.000 0.999 116 H CA 1.199 57.148 56.048 -0.165 0.000 1.256 116 H CB 0.250 29.967 29.762 -0.074 0.000 1.402 116 H HN 0.341 nan 8.280 nan 0.000 0.566 117 A N -0.306 122.194 122.820 -0.534 0.000 1.850 117 A HA 0.040 4.360 4.320 0.001 0.000 0.212 117 A C 1.821 178.949 177.584 -0.760 0.000 1.208 117 A CA 0.948 52.495 52.037 -0.817 0.000 0.609 117 A CB -0.767 17.674 19.000 -0.931 0.000 0.860 117 A HN 0.326 nan 8.150 nan 0.000 0.448 118 F N 0.409 120.097 119.950 -0.436 0.000 2.094 118 F HA 0.007 4.535 4.527 0.001 0.000 0.291 118 F C 2.493 178.213 175.800 -0.134 0.000 1.109 118 F CA 1.510 59.335 58.000 -0.293 0.000 1.221 118 F CB -0.875 37.904 39.000 -0.368 0.000 1.014 118 F HN 0.245 nan 8.300 nan 0.000 0.473 119 E N 0.033 120.343 120.200 0.183 0.000 2.077 119 E HA -0.131 4.219 4.350 0.001 0.000 0.193 119 E C 2.199 178.791 176.600 -0.013 0.000 0.989 119 E CA 1.547 58.032 56.400 0.142 0.000 0.800 119 E CB -0.239 29.590 29.700 0.215 0.000 0.746 119 E HN 0.189 nan 8.360 nan 0.000 0.452 120 V N 0.953 120.781 119.914 -0.143 0.000 2.423 120 V HA -0.113 4.007 4.120 0.001 0.000 0.233 120 V C 2.124 177.984 176.094 -0.390 0.000 1.067 120 V CA 0.781 62.936 62.300 -0.241 0.000 1.073 120 V CB -0.450 31.197 31.823 -0.293 0.000 0.715 120 V HN 0.191 nan 8.190 nan 0.000 0.485 121 L N 0.258 121.050 121.223 -0.718 0.000 2.549 121 L HA -0.004 4.337 4.340 0.001 0.000 0.230 121 L C 0.925 177.409 176.870 -0.643 0.000 1.162 121 L CA 0.391 54.665 54.840 -0.944 0.000 0.834 121 L CB -0.485 40.639 42.059 -1.558 0.000 0.947 121 L HN 0.383 nan 8.230 nan 0.000 0.452 122 R N -0.894 119.390 120.500 -0.360 0.000 3.516 122 R HA -0.156 4.185 4.340 0.001 0.000 0.271 122 R C 0.388 176.612 176.300 -0.126 0.000 1.098 122 R CA 0.771 56.787 56.100 -0.139 0.000 0.732 122 R CB -2.426 27.846 30.300 -0.046 0.000 1.152 122 R HN 0.379 nan 8.270 nan 0.000 0.455 123 A N 0.431 123.071 122.820 -0.300 0.000 2.406 123 A HA 0.238 4.558 4.320 0.001 0.000 0.243 123 A C 1.228 178.881 177.584 0.115 0.000 1.082 123 A CA 0.473 52.362 52.037 -0.247 0.000 0.786 123 A CB 0.399 19.029 19.000 -0.616 0.000 1.029 123 A HN 0.304 nan 8.150 nan 0.000 0.495 124 E N -0.425 119.870 120.200 0.159 0.000 2.514 124 E HA 0.166 4.516 4.350 0.001 0.000 0.215 124 E C 0.416 177.180 176.600 0.273 0.000 0.946 124 E CA 0.260 56.801 56.400 0.235 0.000 1.038 124 E CB 0.266 30.065 29.700 0.165 0.000 1.069 124 E HN 0.610 nan 8.360 nan 0.000 0.503 125 R N -0.475 120.158 120.500 0.221 0.000 2.604 125 R HA 0.514 4.855 4.340 0.001 0.000 0.270 125 R C -1.898 174.454 176.300 0.088 0.000 1.052 125 R CA -0.589 55.629 56.100 0.197 0.000 0.902 125 R CB 1.783 32.166 30.300 0.140 0.000 1.233 125 R HN -0.077 nan 8.270 nan 0.000 0.455 126 V N 5.199 125.191 119.914 0.130 0.000 2.501 126 V HA 0.184 4.304 4.120 0.001 0.000 0.277 126 V C -0.500 175.645 176.094 0.085 0.000 1.004 126 V CA -0.759 61.538 62.300 -0.004 0.000 0.862 126 V CB 1.270 33.054 31.823 -0.065 0.000 1.035 126 V HN 0.793 nan 8.190 nan 0.000 0.448 127 Q N 3.126 122.916 119.800 -0.018 0.000 2.227 127 Q HA 0.800 5.140 4.340 0.001 0.000 0.245 127 Q C -1.570 174.364 176.000 -0.110 0.000 0.926 127 Q CA -0.483 55.379 55.803 0.098 0.000 0.895 127 Q CB 1.865 30.653 28.738 0.083 0.000 1.230 127 Q HN 0.425 nan 8.270 nan 0.000 0.450 128 F N 0.087 120.106 119.950 0.116 0.000 2.551 128 F HA 0.496 5.023 4.527 0.001 0.000 0.316 128 F C -0.382 175.490 175.800 0.120 0.000 1.089 128 F CA -0.911 57.130 58.000 0.069 0.000 0.915 128 F CB 2.378 41.367 39.000 -0.018 0.000 1.186 128 F HN 0.417 nan 8.300 nan 0.000 0.456 129 K N 2.794 123.322 120.400 0.213 0.000 2.450 129 K HA 0.729 5.050 4.320 0.001 0.000 0.257 129 K C -1.498 175.178 176.600 0.127 0.000 0.953 129 K CA -0.654 55.741 56.287 0.181 0.000 0.844 129 K CB 2.559 35.129 32.500 0.117 0.000 1.103 129 K HN 0.362 nan 8.250 nan 0.000 0.429 130 V N 1.545 121.538 119.914 0.131 0.000 2.823 130 V HA 0.165 4.285 4.120 0.001 0.000 0.312 130 V C -0.222 175.923 176.094 0.085 0.000 1.072 130 V CA -1.000 61.335 62.300 0.059 0.000 0.937 130 V CB 2.060 33.847 31.823 -0.059 0.000 1.013 130 V HN 0.746 nan 8.190 nan 0.000 0.430 131 D N 1.934 122.375 120.400 0.068 0.000 2.458 131 D HA 0.005 4.645 4.640 0.001 0.000 0.243 131 D C 0.875 177.193 176.300 0.031 0.000 1.146 131 D CA -0.152 53.902 54.000 0.090 0.000 0.877 131 D CB 1.550 42.460 40.800 0.182 0.000 1.176 131 D HN 0.483 nan 8.370 nan 0.000 0.461 132 L N 5.374 126.631 121.223 0.056 0.000 2.187 132 L HA -0.135 4.205 4.340 0.001 0.000 0.213 132 L C 2.151 179.012 176.870 -0.015 0.000 1.100 132 L CA 1.568 56.426 54.840 0.029 0.000 0.765 132 L CB -0.167 41.918 42.059 0.044 0.000 0.904 132 L HN 0.414 nan 8.230 nan 0.000 0.437 133 R N -0.791 119.713 120.500 0.007 0.000 2.193 133 R HA -0.029 4.312 4.340 0.001 0.000 0.213 133 R C 0.459 176.550 176.300 -0.347 0.000 1.055 133 R CA 0.587 56.683 56.100 -0.007 0.000 0.995 133 R CB -0.403 30.053 30.300 0.260 0.000 0.893 133 R HN 0.338 nan 8.270 nan 0.000 0.459 134 N N 1.314 119.682 118.700 -0.553 0.000 2.645 134 N HA 0.012 4.752 4.740 0.001 0.000 0.233 134 N C -0.193 175.053 175.510 -0.439 0.000 1.058 134 N CA -0.076 52.440 53.050 -0.891 0.000 0.942 134 N CB 1.000 38.928 38.487 -0.932 0.000 1.210 134 N HN -0.082 nan 8.380 nan 0.000 0.512 135 E N 1.385 121.373 120.200 -0.353 0.000 2.347 135 E HA -0.065 4.286 4.350 0.001 0.000 0.196 135 E C 1.640 178.101 176.600 -0.232 0.000 1.008 135 E CA 0.404 56.676 56.400 -0.214 0.000 0.852 135 E CB 0.059 29.666 29.700 -0.155 0.000 0.783 135 E HN 0.546 nan 8.360 nan 0.000 0.505 136 R N 0.579 120.883 120.500 -0.327 0.000 2.127 136 R HA -0.176 4.165 4.340 0.001 0.000 0.228 136 R C 1.998 178.124 176.300 -0.291 0.000 1.125 136 R CA 2.193 58.090 56.100 -0.339 0.000 0.904 136 R CB -0.533 29.467 30.300 -0.501 0.000 0.831 136 R HN 0.094 nan 8.270 nan 0.000 0.431 137 S N 0.756 116.270 115.700 -0.310 0.000 2.402 137 S HA -0.211 4.260 4.470 0.001 0.000 0.233 137 S C 1.901 176.331 174.600 -0.284 0.000 1.030 137 S CA 1.642 59.677 58.200 -0.275 0.000 1.003 137 S CB -0.246 62.807 63.200 -0.246 0.000 0.813 137 S HN 0.445 nan 8.310 nan 0.000 0.477 138 Q N 0.499 120.168 119.800 -0.218 0.000 2.020 138 Q HA -0.072 4.268 4.340 0.001 0.000 0.202 138 Q C 2.427 178.387 176.000 -0.066 0.000 0.982 138 Q CA 0.938 56.683 55.803 -0.097 0.000 0.838 138 Q CB -0.182 28.569 28.738 0.021 0.000 0.899 138 Q HN 0.315 nan 8.270 nan 0.000 0.423 139 R N 0.415 120.858 120.500 -0.094 0.000 2.105 139 R HA -0.097 4.244 4.340 0.001 0.000 0.239 139 R C 2.114 178.359 176.300 -0.092 0.000 1.135 139 R CA 1.349 57.404 56.100 -0.076 0.000 0.967 139 R CB -0.974 29.270 30.300 -0.093 0.000 0.861 139 R HN 0.301 nan 8.270 nan 0.000 0.442 140 A N 1.438 124.174 122.820 -0.141 0.000 1.832 140 A HA -0.096 4.225 4.320 0.001 0.000 0.214 140 A C 2.451 179.937 177.584 -0.164 0.000 1.200 140 A CA 1.123 53.072 52.037 -0.148 0.000 0.610 140 A CB -0.760 18.136 19.000 -0.173 0.000 0.842 140 A HN 0.183 nan 8.150 nan 0.000 0.444 141 L N -0.564 120.505 121.223 -0.257 0.000 2.043 141 L HA -0.261 4.080 4.340 0.001 0.000 0.212 141 L C 2.591 179.393 176.870 -0.112 0.000 1.075 141 L CA 1.945 56.588 54.840 -0.327 0.000 0.752 141 L CB -0.766 40.869 42.059 -0.708 0.000 0.891 141 L HN 0.503 nan 8.230 nan 0.000 0.432 142 E N -0.027 120.179 120.200 0.009 0.000 2.204 142 E HA -0.139 4.212 4.350 0.001 0.000 0.194 142 E C 1.942 178.547 176.600 0.009 0.000 0.989 142 E CA 0.952 57.399 56.400 0.079 0.000 0.824 142 E CB -0.086 29.677 29.700 0.105 0.000 0.756 142 E HN 0.494 nan 8.360 nan 0.000 0.477 143 A N 0.432 123.234 122.820 -0.029 0.000 2.278 143 A HA 0.064 4.385 4.320 0.001 0.000 0.212 143 A C 1.753 179.313 177.584 -0.040 0.000 1.213 143 A CA 0.086 52.102 52.037 -0.034 0.000 0.840 143 A CB 0.054 19.026 19.000 -0.047 0.000 0.866 143 A HN 0.156 nan 8.150 nan 0.000 0.489 144 L N -2.215 118.979 121.223 -0.048 0.000 2.408 144 L HA 0.429 4.770 4.340 0.001 0.000 0.215 144 L C 1.462 178.332 176.870 -0.000 0.000 1.081 144 L CA 1.895 56.709 54.840 -0.043 0.000 0.840 144 L CB 0.289 42.287 42.059 -0.102 0.000 1.002 144 L HN 0.521 nan 8.230 nan 0.000 0.468 145 G N -1.426 107.378 108.800 0.006 0.000 2.367 145 G HA2 -0.080 3.881 3.960 0.001 0.000 0.181 145 G HA3 -0.080 3.881 3.960 0.001 0.000 0.181 145 G C 0.499 175.430 174.900 0.051 0.000 1.000 145 G CA -0.041 45.081 45.100 0.036 0.000 0.693 145 G HN 0.694 nan 8.290 nan 0.000 0.480 146 A N 0.259 123.103 122.820 0.039 0.000 2.425 146 A HA 0.634 4.955 4.320 0.001 0.000 0.242 146 A C 0.567 178.217 177.584 0.110 0.000 1.077 146 A CA 0.480 52.566 52.037 0.082 0.000 0.781 146 A CB 0.751 19.771 19.000 0.034 0.000 1.020 146 A HN 1.098 nan 8.150 nan 0.000 0.494 147 V N 2.668 122.640 119.914 0.097 0.000 2.407 147 V HA 0.297 4.418 4.120 0.001 0.000 0.278 147 V C 0.912 176.962 176.094 -0.074 0.000 1.037 147 V CA -0.442 61.872 62.300 0.024 0.000 0.900 147 V CB 1.188 33.024 31.823 0.022 0.000 0.983 147 V HN 0.889 nan 8.190 nan 0.000 0.459 148 R N 3.548 123.928 120.500 -0.199 0.000 2.891 148 R HA 0.172 4.513 4.340 0.001 0.000 0.248 148 R C 1.003 177.141 176.300 -0.270 0.000 1.439 148 R CA -0.069 55.748 56.100 -0.471 0.000 1.288 148 R CB 0.081 30.099 30.300 -0.470 0.000 1.212 148 R HN 0.834 nan 8.270 nan 0.000 0.605 149 E N 1.398 121.478 120.200 -0.200 0.000 2.012 149 E HA -0.108 4.243 4.350 0.001 0.000 0.197 149 E C 0.845 177.379 176.600 -0.110 0.000 1.007 149 E CA 1.354 57.690 56.400 -0.107 0.000 0.816 149 E CB 0.067 29.734 29.700 -0.055 0.000 0.762 149 E HN 0.774 nan 8.360 nan 0.000 0.451 150 G N -1.189 107.535 108.800 -0.128 0.000 2.428 150 G HA2 0.399 4.359 3.960 0.001 0.000 0.305 150 G HA3 0.399 4.359 3.960 0.001 0.000 0.305 150 G C -1.766 173.088 174.900 -0.076 0.000 1.260 150 G CA -0.700 44.344 45.100 -0.094 0.000 0.853 150 G HN 0.026 nan 8.290 nan 0.000 0.480 151 V N 0.640 120.530 119.914 -0.039 0.000 2.638 151 V HA 0.473 4.593 4.120 0.001 0.000 0.306 151 V C -0.205 175.889 176.094 0.001 0.000 1.052 151 V CA -0.544 61.751 62.300 -0.009 0.000 0.885 151 V CB 1.619 33.440 31.823 -0.002 0.000 0.999 151 V HN 0.618 nan 8.190 nan 0.000 0.424 152 L N 5.225 126.457 121.223 0.015 0.000 2.334 152 L HA 0.443 4.783 4.340 0.001 0.000 0.286 152 L C 0.755 177.631 176.870 0.010 0.000 1.108 152 L CA -0.356 54.490 54.840 0.010 0.000 0.875 152 L CB 0.073 42.142 42.059 0.016 0.000 1.246 152 L HN 0.572 nan 8.230 nan 0.000 0.439 153 R N 4.506 125.004 120.500 -0.003 0.000 2.488 153 R HA -0.020 4.321 4.340 0.001 0.000 0.317 153 R C 0.235 176.518 176.300 -0.028 0.000 0.941 153 R CA -0.017 56.078 56.100 -0.007 0.000 1.076 153 R CB -0.092 30.196 30.300 -0.019 0.000 0.917 153 R HN 0.438 nan 8.270 nan 0.000 0.407 154 K N 1.462 121.859 120.400 -0.004 0.000 3.257 154 K HA -0.304 4.017 4.320 0.001 0.000 0.270 154 K C 0.412 176.986 176.600 -0.043 0.000 0.984 154 K CA 0.750 57.016 56.287 -0.034 0.000 0.739 154 K CB -0.998 31.364 32.500 -0.231 0.000 1.351 154 K HN 0.637 nan 8.250 nan 0.000 0.463 155 N N 0.731 119.442 118.700 0.018 0.000 2.135 155 N HA -0.063 4.677 4.740 0.001 0.000 0.186 155 N C 0.333 175.874 175.510 0.051 0.000 1.027 155 N CA 1.341 54.403 53.050 0.021 0.000 0.849 155 N CB 0.435 38.943 38.487 0.034 0.000 1.002 155 N HN 0.317 nan 8.380 nan 0.000 0.425 156 R N -0.949 119.611 120.500 0.100 0.000 2.930 156 R HA 0.416 4.756 4.340 0.001 0.000 0.257 156 R C -0.713 175.722 176.300 0.226 0.000 1.107 156 R CA -0.941 55.238 56.100 0.131 0.000 0.999 156 R CB 1.482 31.841 30.300 0.098 0.000 1.209 156 R HN 0.001 nan 8.270 nan 0.000 0.486 157 R N 1.146 121.765 120.500 0.198 0.000 2.604 157 R HA 0.405 4.745 4.340 0.001 0.000 0.287 157 R C -0.789 175.551 176.300 0.066 0.000 0.970 157 R CA -0.519 55.682 56.100 0.168 0.000 0.946 157 R CB 0.868 31.240 30.300 0.120 0.000 1.127 157 R HN 0.448 nan 8.270 nan 0.000 0.473 158 L N 5.560 126.786 121.223 0.004 0.000 2.375 158 L HA 0.302 4.642 4.340 0.001 0.000 0.271 158 L C -1.519 175.338 176.870 -0.021 0.000 1.107 158 L CA -2.088 52.752 54.840 0.001 0.000 0.806 158 L CB 1.409 43.459 42.059 -0.015 0.000 1.146 158 L HN 0.559 nan 8.230 nan 0.000 0.447 159 P HA -0.187 nan 4.420 nan 0.000 0.220 159 P C 0.556 177.844 177.300 -0.020 0.000 1.144 159 P CA 1.159 64.260 63.100 0.002 0.000 0.800 159 P CB 0.061 31.774 31.700 0.022 0.000 0.772 160 D N -2.888 117.490 120.400 -0.038 0.000 2.289 160 D HA 0.082 4.723 4.640 0.001 0.000 0.207 160 D C 1.562 177.815 176.300 -0.078 0.000 0.966 160 D CA 1.112 55.083 54.000 -0.050 0.000 0.868 160 D CB -0.553 40.216 40.800 -0.052 0.000 0.943 160 D HN 0.211 nan 8.370 nan 0.000 0.514 161 G N -0.360 108.371 108.800 -0.115 0.000 2.617 161 G HA2 -0.045 3.916 3.960 0.001 0.000 0.197 161 G HA3 -0.045 3.916 3.960 0.001 0.000 0.197 161 G C 0.674 175.361 174.900 -0.354 0.000 1.017 161 G CA 0.021 45.011 45.100 -0.184 0.000 0.713 161 G HN 0.687 nan 8.290 nan 0.000 0.481 162 A N 0.086 122.730 122.820 -0.294 0.000 2.261 162 A HA 0.705 5.026 4.320 0.001 0.000 0.275 162 A C -0.138 177.155 177.584 -0.485 0.000 1.246 162 A CA 0.487 52.293 52.037 -0.384 0.000 0.810 162 A CB 0.044 18.960 19.000 -0.141 0.000 1.168 162 A HN 0.701 nan 8.150 nan 0.000 0.506 163 F N -1.248 118.718 119.950 0.026 0.000 2.492 163 F HA 0.624 5.151 4.527 0.001 0.000 0.327 163 F C 0.636 176.460 175.800 0.039 0.000 1.079 163 F CA -0.402 57.615 58.000 0.030 0.000 0.967 163 F CB 1.685 40.700 39.000 0.025 0.000 1.169 163 F HN 0.604 nan 8.300 nan 0.000 0.472 164 R N 1.325 121.976 120.500 0.251 0.000 2.589 164 R HA 0.365 4.705 4.340 0.001 0.000 0.293 164 R C -1.496 174.888 176.300 0.139 0.000 0.963 164 R CA -0.664 55.536 56.100 0.167 0.000 0.905 164 R CB 1.037 31.421 30.300 0.139 0.000 1.144 164 R HN 0.594 nan 8.270 nan 0.000 0.459 165 D N 3.512 123.981 120.400 0.115 0.000 2.499 165 D HA 0.114 4.754 4.640 0.001 0.000 0.225 165 D C -0.929 175.422 176.300 0.086 0.000 1.124 165 D CA -0.137 53.914 54.000 0.085 0.000 0.938 165 D CB 1.028 41.871 40.800 0.071 0.000 1.014 165 D HN 0.408 nan 8.370 nan 0.000 0.517 166 D N 1.392 121.843 120.400 0.085 0.000 2.382 166 D HA 0.034 4.675 4.640 0.001 0.000 0.259 166 D C 0.429 176.790 176.300 0.102 0.000 1.224 166 D CA 0.024 54.084 54.000 0.098 0.000 0.894 166 D CB 1.825 42.679 40.800 0.091 0.000 1.127 166 D HN 0.039 nan 8.370 nan 0.000 0.487 167 V N 3.643 123.645 119.914 0.147 0.000 2.389 167 V HA 0.043 4.164 4.120 0.001 0.000 0.264 167 V C 0.690 176.927 176.094 0.239 0.000 1.049 167 V CA -0.711 61.680 62.300 0.152 0.000 0.932 167 V CB 1.203 33.166 31.823 0.233 0.000 1.011 167 V HN 0.219 nan 8.190 nan 0.000 0.475 168 V N 6.721 126.692 119.914 0.094 0.000 2.508 168 V HA 0.291 4.412 4.120 0.001 0.000 0.281 168 V C -0.265 175.867 176.094 0.063 0.000 1.041 168 V CA -0.091 62.293 62.300 0.139 0.000 1.016 168 V CB 0.030 31.892 31.823 0.065 0.000 0.984 168 V HN 0.685 nan 8.190 nan 0.000 0.478 169 Y N 2.133 122.509 120.300 0.127 0.000 2.650 169 Y HA 0.803 5.354 4.550 0.001 0.000 0.331 169 Y C 0.459 176.488 175.900 0.215 0.000 1.082 169 Y CA -0.741 57.440 58.100 0.136 0.000 1.171 169 Y CB 2.270 40.794 38.460 0.108 0.000 1.326 169 Y HN 0.736 nan 8.280 nan 0.000 0.513 170 S N -1.042 114.878 115.700 0.367 0.000 2.597 170 S HA 0.681 5.152 4.470 0.001 0.000 0.274 170 S C -2.261 172.504 174.600 0.275 0.000 1.132 170 S CA -0.963 57.438 58.200 0.334 0.000 0.835 170 S CB 1.073 64.399 63.200 0.209 0.000 1.092 170 S HN 0.411 nan 8.310 nan 0.000 0.457 171 V N 2.481 122.585 119.914 0.316 0.000 2.445 171 V HA 0.381 4.502 4.120 0.001 0.000 0.283 171 V C -0.032 176.211 176.094 0.249 0.000 1.014 171 V CA -0.619 61.841 62.300 0.266 0.000 0.852 171 V CB 1.023 33.045 31.823 0.331 0.000 1.021 171 V HN 0.912 nan 8.190 nan 0.000 0.435 172 L N 2.889 124.183 121.223 0.118 0.000 2.461 172 L HA 0.219 4.560 4.340 0.001 0.000 0.259 172 L C 1.928 178.697 176.870 -0.169 0.000 1.248 172 L CA 0.114 54.991 54.840 0.061 0.000 0.823 172 L CB 0.342 42.426 42.059 0.041 0.000 1.111 172 L HN 0.646 nan 8.230 nan 0.000 0.516 173 K N 0.647 120.959 120.400 -0.148 0.000 2.025 173 K HA -0.145 4.175 4.320 0.001 0.000 0.207 173 K C 1.724 178.191 176.600 -0.223 0.000 1.049 173 K CA 1.489 57.568 56.287 -0.346 0.000 0.933 173 K CB 0.011 32.491 32.500 -0.033 0.000 0.714 173 K HN 0.718 nan 8.250 nan 0.000 0.438 174 E N 0.629 120.778 120.200 -0.085 0.000 2.409 174 E HA -0.193 4.157 4.350 0.001 0.000 0.198 174 E C 0.664 177.244 176.600 -0.035 0.000 1.024 174 E CA 1.125 57.501 56.400 -0.040 0.000 0.861 174 E CB -0.006 29.687 29.700 -0.013 0.000 0.788 174 E HN 0.521 nan 8.360 nan 0.000 0.521 175 E N -0.201 119.969 120.200 -0.051 0.000 2.472 175 E HA 0.025 4.376 4.350 0.001 0.000 0.196 175 E C 1.438 178.079 176.600 0.070 0.000 1.033 175 E CA -0.301 56.100 56.400 0.003 0.000 0.886 175 E CB -0.182 29.532 29.700 0.024 0.000 0.944 175 E HN 0.401 nan 8.360 nan 0.000 0.492 176 W N 2.316 123.421 121.300 -0.325 0.000 2.354 176 W HA -0.084 4.576 4.660 0.000 0.000 0.315 176 W C -1.134 175.326 176.519 -0.098 0.000 1.206 176 W CA 0.520 57.684 57.345 -0.301 0.000 1.290 176 W CB -0.553 28.563 29.460 -0.573 0.000 1.152 176 W HN 0.025 nan 8.180 nan 0.000 0.489 177 P HA -0.180 nan 4.420 nan 0.000 0.218 177 P C 1.397 178.583 177.300 -0.191 0.000 1.146 177 P CA 2.736 65.692 63.100 -0.241 0.000 0.820 177 P CB -0.625 31.003 31.700 -0.120 0.000 0.778 178 G N -0.971 107.777 108.800 -0.087 0.000 2.447 178 G HA2 -0.124 3.837 3.960 0.001 0.000 0.211 178 G HA3 -0.124 3.837 3.960 0.001 0.000 0.211 178 G C 1.564 176.445 174.900 -0.032 0.000 1.184 178 G CA 0.328 45.398 45.100 -0.050 0.000 0.813 178 G HN 0.095 nan 8.290 nan 0.000 0.540 179 V N 1.329 121.283 119.914 0.067 0.000 2.255 179 V HA -0.218 3.902 4.120 0.001 0.000 0.247 179 V C 2.677 178.807 176.094 0.061 0.000 1.051 179 V CA 2.429 64.832 62.300 0.172 0.000 1.018 179 V CB -0.519 31.585 31.823 0.469 0.000 0.641 179 V HN 0.433 nan 8.190 nan 0.000 0.445 180 K N 0.264 120.482 120.400 -0.303 0.000 2.063 180 K HA -0.203 4.118 4.320 0.001 0.000 0.208 180 K C 2.214 178.668 176.600 -0.243 0.000 1.048 180 K CA 1.619 57.597 56.287 -0.515 0.000 0.928 180 K CB -0.379 31.284 32.500 -1.395 0.000 0.713 180 K HN 0.415 nan 8.250 nan 0.000 0.442 181 A N 1.686 124.369 122.820 -0.228 0.000 1.865 181 A HA -0.198 4.122 4.320 0.001 0.000 0.217 181 A C 2.131 179.656 177.584 -0.098 0.000 1.191 181 A CA 1.764 53.719 52.037 -0.137 0.000 0.623 181 A CB -0.593 18.338 19.000 -0.114 0.000 0.826 181 A HN 0.376 nan 8.150 nan 0.000 0.444 182 R N -0.634 119.818 120.500 -0.081 0.000 2.096 182 R HA -0.042 4.299 4.340 0.001 0.000 0.235 182 R C 2.088 178.330 176.300 -0.097 0.000 1.127 182 R CA 1.378 57.439 56.100 -0.065 0.000 0.968 182 R CB -0.514 29.762 30.300 -0.039 0.000 0.861 182 R HN 0.531 nan 8.270 nan 0.000 0.440 183 L N 0.598 121.742 121.223 -0.132 0.000 2.056 183 L HA -0.155 4.185 4.340 0.001 0.000 0.207 183 L C 2.128 178.792 176.870 -0.343 0.000 1.078 183 L CA 1.390 56.086 54.840 -0.241 0.000 0.749 183 L CB -0.430 41.451 42.059 -0.296 0.000 0.901 183 L HN 0.214 nan 8.230 nan 0.000 0.433 184 E N 0.167 120.204 120.200 -0.272 0.000 2.209 184 E HA -0.206 4.144 4.350 0.001 0.000 0.196 184 E C 2.030 178.634 176.600 0.006 0.000 0.993 184 E CA 1.143 57.506 56.400 -0.061 0.000 0.819 184 E CB -0.090 29.643 29.700 0.054 0.000 0.745 184 E HN 0.520 nan 8.360 nan 0.000 0.477 185 A N 0.635 123.422 122.820 -0.054 0.000 2.169 185 A HA 0.077 4.397 4.320 0.001 0.000 0.210 185 A C 1.970 179.522 177.584 -0.053 0.000 1.168 185 A CA 0.217 52.239 52.037 -0.024 0.000 0.813 185 A CB 0.158 19.143 19.000 -0.024 0.000 0.861 185 A HN -0.049 nan 8.150 nan 0.000 0.481 186 R N -0.423 120.014 120.500 -0.106 0.000 2.210 186 R HA 0.287 4.628 4.340 0.001 0.000 0.203 186 R C 1.325 177.544 176.300 -0.136 0.000 1.010 186 R CA 1.137 57.174 56.100 -0.106 0.000 1.008 186 R CB -0.336 29.898 30.300 -0.110 0.000 0.923 186 R HN 0.481 nan 8.270 nan 0.000 0.469 187 L N -1.643 119.436 121.223 -0.240 0.000 2.433 187 L HA 0.300 4.641 4.340 0.001 0.000 0.200 187 L C 0.075 176.823 176.870 -0.204 0.000 1.059 187 L CA -0.140 54.523 54.840 -0.295 0.000 0.835 187 L CB -0.146 41.545 42.059 -0.613 0.000 1.076 187 L HN -0.034 nan 8.230 nan 0.000 0.481 188 Y N 0.000 120.310 120.300 0.017 0.000 2.660 188 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 188 Y CA 0.000 58.106 58.100 0.010 0.000 1.940 188 Y CB 0.000 38.445 38.460 -0.025 0.000 1.050 188 Y HN 0.000 nan 8.280 nan 0.000 0.758