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 3jz6_1_B DATA FIRST_RESID 6 DATA SEQUENCE LEFTVSANTN PATDAVRESI LANPGFGKYY TDHMVSIDYT VDEGWHNAQV DATA SEQUENCE IPYGPIQLDP SAIVLHYGQE IFEGLKAYRW ADGSIVSFRP EANAARLQSS DATA SEQUENCE ARRLAIPELP EEVFIESLRQ LIAVDEKWVP PAGGEESLYL RPFVIATEPG DATA SEQUENCE LGVRPSNEYR YLLIASPAGA YFKGGIKPVS VWLSHEYVRA SPGGTGAAKF DATA SEQUENCE GGNYAASLLA QAQAAEMGCD QVVWLDAIER RYVEEMGGMN LFFVFGSGGS DATA SEQUENCE ARLVTPELSG SLLPGITRDS LLQLATDAGF AVEERKIDVD EWQKKAGAGE DATA SEQUENCE ITEVFACGTA AVITPVSHVK HHDGEFTIAD GQPGEITMAL RDTLTGIQRG DATA SEQUENCE TFADTHGWMA RLN 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.906 176.870 0.060 0.000 1.165 6 L CA 0.000 54.848 54.840 0.014 0.000 0.813 6 L CB 0.000 42.020 42.059 -0.065 0.000 0.961 7 E N 2.662 122.864 120.200 0.004 0.000 2.216 7 E HA 0.455 4.822 4.350 0.028 0.000 0.279 7 E C -1.266 175.338 176.600 0.006 0.000 0.997 7 E CA -0.417 56.036 56.400 0.088 0.000 0.817 7 E CB 1.905 31.638 29.700 0.055 0.000 1.096 7 E HN 0.156 nan 8.360 nan 0.000 0.393 8 F N 1.167 121.123 119.950 0.010 0.000 2.411 8 F HA 0.155 4.698 4.527 0.027 0.000 0.352 8 F C 0.985 176.788 175.800 0.006 0.000 1.123 8 F CA -0.728 57.276 58.000 0.007 0.000 1.044 8 F CB 1.226 40.224 39.000 -0.003 0.000 1.135 8 F HN 0.115 nan 8.300 nan 0.000 0.461 9 T N 0.633 115.262 114.554 0.125 0.000 2.882 9 T HA 0.705 5.071 4.350 0.028 0.000 0.287 9 T C -0.450 174.308 174.700 0.096 0.000 0.992 9 T CA -0.741 61.411 62.100 0.086 0.000 1.076 9 T CB 1.355 70.249 68.868 0.043 0.000 0.961 9 T HN 0.254 nan 8.240 nan 0.000 0.490 10 V N 2.769 122.727 119.914 0.073 0.000 2.459 10 V HA 0.538 4.674 4.120 0.028 0.000 0.295 10 V C 0.032 176.163 176.094 0.061 0.000 1.029 10 V CA -0.793 61.543 62.300 0.061 0.000 0.874 10 V CB 1.870 33.709 31.823 0.026 0.000 0.985 10 V HN 1.078 nan 8.190 nan 0.000 0.438 11 S N 3.718 119.469 115.700 0.085 0.000 2.622 11 S HA 0.609 5.096 4.470 0.028 0.000 0.283 11 S C 0.326 175.023 174.600 0.161 0.000 1.197 11 S CA -0.399 57.858 58.200 0.096 0.000 1.146 11 S CB 1.201 64.448 63.200 0.079 0.000 1.007 11 S HN 1.041 nan 8.310 nan 0.000 0.478 12 A N 3.144 126.059 122.820 0.157 0.000 2.531 12 A HA 0.167 4.503 4.320 0.028 0.000 0.236 12 A C 0.633 178.363 177.584 0.243 0.000 1.062 12 A CA -0.164 52.037 52.037 0.273 0.000 0.760 12 A CB 0.015 19.116 19.000 0.169 0.000 0.995 12 A HN 0.676 nan 8.150 nan 0.000 0.501 13 N N 1.614 120.479 118.700 0.276 0.000 2.416 13 N HA 0.047 4.804 4.740 0.028 0.000 0.265 13 N C 1.032 176.573 175.510 0.051 0.000 1.195 13 N CA 0.545 53.587 53.050 -0.012 0.000 0.943 13 N CB 0.545 38.848 38.487 -0.307 0.000 1.115 13 N HN 0.550 nan 8.380 nan 0.000 0.481 14 T N 2.028 116.607 114.554 0.041 0.000 2.915 14 T HA -0.132 4.235 4.350 0.028 0.000 0.269 14 T C 0.827 175.549 174.700 0.037 0.000 1.071 14 T CA 1.076 63.202 62.100 0.043 0.000 1.132 14 T CB -0.090 68.798 68.868 0.033 0.000 0.878 14 T HN 0.532 nan 8.240 nan 0.000 0.479 15 N N 1.814 120.531 118.700 0.028 0.000 2.818 15 N HA 0.223 4.980 4.740 0.028 0.000 0.301 15 N C -2.676 172.859 175.510 0.042 0.000 1.821 15 N CA -1.895 51.175 53.050 0.033 0.000 0.930 15 N CB 0.802 39.306 38.487 0.029 0.000 1.263 15 N HN 0.145 nan 8.380 nan 0.000 0.487 16 P HA 0.179 nan 4.420 nan 0.000 0.273 16 P C -0.598 176.772 177.300 0.117 0.000 1.250 16 P CA -0.467 62.691 63.100 0.095 0.000 0.793 16 P CB 0.736 32.513 31.700 0.130 0.000 1.011 17 A N 1.287 124.225 122.820 0.197 0.000 2.492 17 A HA 0.344 4.681 4.320 0.028 0.000 0.254 17 A C 1.024 178.645 177.584 0.061 0.000 1.091 17 A CA -0.043 52.093 52.037 0.165 0.000 0.768 17 A CB -0.969 18.222 19.000 0.317 0.000 1.028 17 A HN 0.658 nan 8.150 nan 0.000 0.498 18 T N 0.799 115.368 114.554 0.025 0.000 2.855 18 T HA 0.034 4.401 4.350 0.028 0.000 0.322 18 T C 0.654 175.317 174.700 -0.063 0.000 1.088 18 T CA 0.318 62.411 62.100 -0.012 0.000 1.104 18 T CB 0.416 69.279 68.868 -0.009 0.000 0.996 18 T HN 0.611 nan 8.240 nan 0.000 0.549 19 D N 1.617 121.972 120.400 -0.074 0.000 2.133 19 D HA -0.175 4.482 4.640 0.028 0.000 0.195 19 D C 2.353 178.584 176.300 -0.115 0.000 0.997 19 D CA 1.801 55.733 54.000 -0.113 0.000 0.840 19 D CB -0.577 40.172 40.800 -0.086 0.000 0.947 19 D HN 0.793 nan 8.370 nan 0.000 0.452 20 A N 0.850 123.623 122.820 -0.079 0.000 1.883 20 A HA -0.163 4.173 4.320 0.028 0.000 0.217 20 A C 2.629 180.161 177.584 -0.087 0.000 1.186 20 A CA 1.508 53.502 52.037 -0.072 0.000 0.624 20 A CB -0.836 18.137 19.000 -0.045 0.000 0.822 20 A HN 0.149 nan 8.150 nan 0.000 0.444 21 V N -0.070 119.798 119.914 -0.075 0.000 2.261 21 V HA -0.252 3.885 4.120 0.028 0.000 0.246 21 V C 2.663 178.671 176.094 -0.143 0.000 1.047 21 V CA 2.307 64.561 62.300 -0.076 0.000 1.015 21 V CB -0.826 30.988 31.823 -0.015 0.000 0.642 21 V HN 0.672 nan 8.190 nan 0.000 0.446 22 R N 0.033 120.411 120.500 -0.204 0.000 2.091 22 R HA -0.227 4.129 4.340 0.028 0.000 0.238 22 R C 2.280 178.361 176.300 -0.364 0.000 1.136 22 R CA 2.166 58.008 56.100 -0.430 0.000 0.959 22 R CB -0.226 29.635 30.300 -0.732 0.000 0.856 22 R HN 0.640 nan 8.270 nan 0.000 0.437 23 E N -0.415 119.628 120.200 -0.262 0.000 2.110 23 E HA -0.125 4.241 4.350 0.028 0.000 0.193 23 E C 2.029 178.530 176.600 -0.165 0.000 0.988 23 E CA 1.485 57.766 56.400 -0.198 0.000 0.804 23 E CB 0.054 29.666 29.700 -0.146 0.000 0.745 23 E HN 0.275 nan 8.360 nan 0.000 0.458 24 S N 0.630 116.234 115.700 -0.160 0.000 2.382 24 S HA -0.106 4.380 4.470 0.028 0.000 0.228 24 S C 1.975 176.451 174.600 -0.207 0.000 1.027 24 S CA 0.745 58.858 58.200 -0.146 0.000 0.991 24 S CB -0.094 63.033 63.200 -0.122 0.000 0.823 24 S HN 0.204 nan 8.310 nan 0.000 0.469 25 I N 1.099 121.490 120.570 -0.298 0.000 2.233 25 I HA -0.123 4.064 4.170 0.028 0.000 0.243 25 I C 1.936 177.910 176.117 -0.238 0.000 1.093 25 I CA 1.008 62.035 61.300 -0.455 0.000 1.380 25 I CB -0.300 37.389 38.000 -0.519 0.000 1.067 25 I HN 0.216 nan 8.210 nan 0.000 0.413 26 L N 0.551 121.672 121.223 -0.170 0.000 2.191 26 L HA -0.165 4.192 4.340 0.028 0.000 0.212 26 L C 2.710 179.539 176.870 -0.067 0.000 1.103 26 L CA 1.012 55.796 54.840 -0.093 0.000 0.769 26 L CB -0.597 41.392 42.059 -0.117 0.000 0.908 26 L HN 0.244 nan 8.230 nan 0.000 0.438 27 A N -0.446 122.323 122.820 -0.086 0.000 2.014 27 A HA -0.133 4.203 4.320 0.028 0.000 0.218 27 A C 1.052 178.614 177.584 -0.036 0.000 1.163 27 A CA 1.362 53.366 52.037 -0.055 0.000 0.652 27 A CB -0.253 18.710 19.000 -0.061 0.000 0.808 27 A HN 0.472 nan 8.150 nan 0.000 0.449 28 N N -1.439 117.234 118.700 -0.046 0.000 2.732 28 N HA 0.184 4.940 4.740 0.028 0.000 0.235 28 N C -2.151 173.375 175.510 0.026 0.000 1.466 28 N CA -0.909 52.138 53.050 -0.004 0.000 0.751 28 N CB 1.165 39.654 38.487 0.003 0.000 1.317 28 N HN -0.013 nan 8.380 nan 0.000 0.525 29 P HA 0.172 nan 4.420 nan 0.000 0.216 29 P C 0.966 178.370 177.300 0.173 0.000 1.156 29 P CA 1.579 64.748 63.100 0.115 0.000 0.855 29 P CB 0.374 32.116 31.700 0.069 0.000 0.786 30 G N 0.703 109.562 108.800 0.098 0.000 2.523 30 G HA2 -0.244 3.733 3.960 0.028 0.000 0.271 30 G HA3 -0.244 3.733 3.960 0.028 0.000 0.271 30 G C -0.815 174.164 174.900 0.131 0.000 1.146 30 G CA 0.098 45.242 45.100 0.074 0.000 0.961 30 G HN 0.498 nan 8.290 nan 0.000 0.549 31 F N 0.865 120.752 119.950 -0.105 0.000 2.623 31 F HA 0.534 5.077 4.527 0.027 0.000 0.323 31 F C 0.776 176.466 175.800 -0.184 0.000 1.158 31 F CA 1.080 58.998 58.000 -0.137 0.000 1.030 31 F CB 1.375 40.287 39.000 -0.146 0.000 1.280 31 F HN 2.206 nan 8.300 nan 0.000 0.474 32 G N 4.514 112.828 108.800 -0.811 0.000 2.233 32 G HA2 -0.382 3.595 3.960 0.028 0.000 0.270 32 G HA3 -0.382 3.595 3.960 0.028 0.000 0.270 32 G C 0.918 175.540 174.900 -0.464 0.000 1.011 32 G CA 1.028 45.781 45.100 -0.579 0.000 0.762 32 G HN 0.810 nan 8.290 nan 0.000 0.511 33 K N -1.422 118.655 120.400 -0.537 0.000 2.190 33 K HA 0.246 4.582 4.320 0.028 0.000 0.202 33 K C 0.428 176.450 176.600 -0.964 0.000 1.045 33 K CA 0.226 56.134 56.287 -0.631 0.000 0.976 33 K CB 0.308 32.447 32.500 -0.602 0.000 0.849 33 K HN 0.381 nan 8.250 nan 0.000 0.468 34 Y N -0.718 119.175 120.300 -0.678 0.000 2.496 34 Y HA 0.364 4.931 4.550 0.029 0.000 0.331 34 Y C -0.701 174.525 175.900 -1.124 0.000 1.140 34 Y CA -0.987 56.707 58.100 -0.677 0.000 1.166 34 Y CB 1.220 39.517 38.460 -0.273 0.000 1.249 34 Y HN -0.091 nan 8.280 nan 0.000 0.479 35 Y N -1.046 119.057 120.300 -0.328 0.000 2.545 35 Y HA 0.415 4.981 4.550 0.027 0.000 0.348 35 Y C 0.415 175.729 175.900 -0.976 0.000 1.002 35 Y CA -1.524 56.172 58.100 -0.673 0.000 1.039 35 Y CB 1.549 39.325 38.460 -1.140 0.000 1.271 35 Y HN 0.660 nan 8.280 nan 0.000 0.467 36 T N -2.747 111.243 114.554 -0.940 0.000 2.640 36 T HA 0.000 4.367 4.350 0.028 0.000 0.316 36 T C 0.568 174.704 174.700 -0.940 0.000 1.036 36 T CA -0.144 60.997 62.100 -1.598 0.000 1.009 36 T CB 0.509 68.740 68.868 -1.061 0.000 1.017 36 T HN 0.629 nan 8.240 nan 0.000 0.530 37 D N -0.000 119.999 120.400 -0.669 0.000 2.224 37 D HA 0.041 4.697 4.640 0.028 0.000 0.205 37 D C 0.481 176.577 176.300 -0.339 0.000 0.965 37 D CA 1.287 55.139 54.000 -0.246 0.000 0.852 37 D CB -0.062 40.755 40.800 0.028 0.000 0.947 37 D HN 0.660 nan 8.370 nan 0.000 0.494 38 H N -1.361 117.687 119.070 -0.037 0.000 2.864 38 H HA 0.597 5.170 4.556 0.028 0.000 0.354 38 H C 0.143 175.505 175.328 0.058 0.000 1.208 38 H CA -0.885 55.186 56.048 0.038 0.000 1.191 38 H CB 1.679 31.460 29.762 0.031 0.000 1.889 38 H HN -0.187 nan 8.280 nan 0.000 0.574 39 M N -0.788 118.925 119.600 0.189 0.000 2.622 39 M HA 0.689 5.186 4.480 0.028 0.000 0.276 39 M C -1.807 174.530 176.300 0.063 0.000 1.265 39 M CA -1.150 54.213 55.300 0.105 0.000 0.850 39 M CB 2.086 34.728 32.600 0.069 0.000 1.720 39 M HN 0.249 nan 8.290 nan 0.000 0.465 40 V N 1.103 121.025 119.914 0.012 0.000 2.547 40 V HA 0.759 4.896 4.120 0.028 0.000 0.299 40 V C -0.461 175.619 176.094 -0.024 0.000 1.040 40 V CA -0.355 61.975 62.300 0.050 0.000 0.913 40 V CB 1.718 33.602 31.823 0.103 0.000 0.992 40 V HN 0.887 nan 8.190 nan 0.000 0.449 41 S N 4.562 120.285 115.700 0.040 0.000 2.571 41 S HA 0.786 5.273 4.470 0.028 0.000 0.284 41 S C -1.390 173.243 174.600 0.056 0.000 1.128 41 S CA -0.563 57.635 58.200 -0.004 0.000 0.970 41 S CB 0.865 64.042 63.200 -0.038 0.000 1.039 41 S HN 0.470 nan 8.310 nan 0.000 0.485 42 I N 3.834 124.483 120.570 0.131 0.000 2.534 42 I HA 0.465 4.652 4.170 0.028 0.000 0.288 42 I C -0.767 175.513 176.117 0.272 0.000 1.077 42 I CA -0.680 60.715 61.300 0.158 0.000 1.051 42 I CB 1.926 40.045 38.000 0.198 0.000 1.234 42 I HN 0.579 nan 8.210 nan 0.000 0.425 43 D N 4.448 124.894 120.400 0.078 0.000 2.193 43 D HA 0.387 5.044 4.640 0.028 0.000 0.249 43 D C -1.137 175.207 176.300 0.074 0.000 1.034 43 D CA -0.015 53.996 54.000 0.018 0.000 0.902 43 D CB 2.631 43.272 40.800 -0.265 0.000 1.182 43 D HN 0.437 nan 8.370 nan 0.000 0.436 44 Y N 0.541 120.795 120.300 -0.078 0.000 2.391 44 Y HA 0.407 4.974 4.550 0.028 0.000 0.341 44 Y C -0.684 175.182 175.900 -0.056 0.000 0.965 44 Y CA -0.394 57.531 58.100 -0.291 0.000 1.067 44 Y CB 1.664 39.492 38.460 -1.054 0.000 1.199 44 Y HN 0.380 nan 8.280 nan 0.000 0.450 45 T N 1.266 115.430 114.554 -0.650 0.000 2.883 45 T HA 0.364 4.730 4.350 0.028 0.000 0.301 45 T C 0.136 174.383 174.700 -0.755 0.000 1.158 45 T CA -0.681 61.163 62.100 -0.426 0.000 1.007 45 T CB 1.127 69.875 68.868 -0.201 0.000 1.186 45 T HN 0.368 nan 8.240 nan 0.000 0.499 46 V N 1.572 121.272 119.914 -0.357 0.000 2.343 46 V HA -0.139 3.998 4.120 0.028 0.000 0.247 46 V C 2.653 178.588 176.094 -0.265 0.000 1.051 46 V CA 2.428 64.575 62.300 -0.254 0.000 1.036 46 V CB -0.835 30.945 31.823 -0.072 0.000 0.654 46 V HN 1.056 nan 8.190 nan 0.000 0.451 47 D N 0.137 120.392 120.400 -0.241 0.000 2.224 47 D HA -0.186 4.471 4.640 0.028 0.000 0.205 47 D C 1.611 177.747 176.300 -0.273 0.000 0.965 47 D CA 1.306 55.179 54.000 -0.211 0.000 0.852 47 D CB -0.192 40.506 40.800 -0.171 0.000 0.947 47 D HN 0.584 nan 8.370 nan 0.000 0.494 48 E N -0.284 119.667 120.200 -0.415 0.000 2.562 48 E HA 0.328 4.694 4.350 0.028 0.000 0.214 48 E C 1.140 177.489 176.600 -0.419 0.000 0.979 48 E CA 0.096 56.208 56.400 -0.480 0.000 1.002 48 E CB 1.083 30.252 29.700 -0.885 0.000 1.048 48 E HN 0.323 nan 8.360 nan 0.000 0.488 49 G N 1.919 110.380 108.800 -0.564 0.000 2.574 49 G HA2 -0.318 3.659 3.960 0.028 0.000 0.282 49 G HA3 -0.318 3.659 3.960 0.028 0.000 0.282 49 G C -0.653 174.030 174.900 -0.362 0.000 1.257 49 G CA 0.034 44.746 45.100 -0.647 0.000 0.956 49 G HN 0.304 nan 8.290 nan 0.000 0.560 50 W N 2.953 124.335 121.300 0.137 0.000 2.368 50 W HA 0.603 5.279 4.660 0.027 0.000 0.316 50 W C 1.041 177.659 176.519 0.165 0.000 1.375 50 W CA 0.614 58.081 57.345 0.204 0.000 1.261 50 W CB 0.443 29.988 29.460 0.142 0.000 1.298 50 W HN 0.874 nan 8.180 nan 0.000 0.539 51 H N 0.731 119.902 119.070 0.169 0.000 2.918 51 H HA 0.249 4.822 4.556 0.028 0.000 0.303 51 H C -0.064 175.271 175.328 0.012 0.000 1.380 51 H CA -1.355 54.715 56.048 0.037 0.000 1.134 51 H CB 0.333 30.082 29.762 -0.022 0.000 1.842 51 H HN 0.350 nan 8.280 nan 0.000 0.533 52 N N -0.817 117.826 118.700 -0.095 0.000 2.727 52 N HA -0.175 4.581 4.740 0.028 0.000 0.249 52 N C -0.849 174.551 175.510 -0.182 0.000 1.048 52 N CA 0.801 53.762 53.050 -0.149 0.000 0.714 52 N CB -1.316 37.038 38.487 -0.221 0.000 0.959 52 N HN 0.955 nan 8.380 nan 0.000 0.544 53 A N 1.020 123.674 122.820 -0.276 0.000 2.492 53 A HA 0.413 4.750 4.320 0.028 0.000 0.254 53 A C 0.582 177.976 177.584 -0.317 0.000 1.091 53 A CA 0.716 52.454 52.037 -0.497 0.000 0.768 53 A CB 0.234 18.477 19.000 -1.262 0.000 1.028 53 A HN 0.586 nan 8.150 nan 0.000 0.498 54 Q N 0.857 120.610 119.800 -0.079 0.000 2.472 54 Q HA 0.618 4.974 4.340 0.028 0.000 0.281 54 Q C -1.942 174.156 176.000 0.163 0.000 0.997 54 Q CA -0.978 54.870 55.803 0.076 0.000 0.828 54 Q CB 1.588 30.340 28.738 0.023 0.000 1.443 54 Q HN 0.330 nan 8.270 nan 0.000 0.390 55 V N 3.669 123.682 119.914 0.165 0.000 2.350 55 V HA 0.497 4.634 4.120 0.028 0.000 0.276 55 V C 0.088 176.261 176.094 0.132 0.000 1.028 55 V CA -0.489 61.892 62.300 0.134 0.000 0.860 55 V CB 0.891 32.760 31.823 0.077 0.000 0.990 55 V HN 0.709 nan 8.190 nan 0.000 0.453 56 I N 3.542 124.196 120.570 0.140 0.000 3.206 56 I HA 0.771 4.958 4.170 0.028 0.000 0.313 56 I C -3.039 173.170 176.117 0.152 0.000 1.103 56 I CA -3.134 58.248 61.300 0.137 0.000 0.985 56 I CB 1.757 39.787 38.000 0.050 0.000 1.240 56 I HN 0.266 nan 8.210 nan 0.000 0.464 57 P HA 0.098 nan 4.420 nan 0.000 0.268 57 P C -1.028 176.248 177.300 -0.041 0.000 1.205 57 P CA 0.376 63.427 63.100 -0.082 0.000 0.771 57 P CB 0.039 31.698 31.700 -0.070 0.000 0.858 58 Y N 3.117 123.321 120.300 -0.159 0.000 2.620 58 Y HA 0.388 4.954 4.550 0.027 0.000 0.330 58 Y C 0.828 176.668 175.900 -0.100 0.000 1.186 58 Y CA 1.544 59.571 58.100 -0.121 0.000 1.467 58 Y CB -0.146 38.227 38.460 -0.145 0.000 1.262 58 Y HN 0.605 nan 8.280 nan 0.000 0.550 59 G N 5.219 113.707 108.800 -0.520 0.000 2.441 59 G HA2 0.350 4.327 3.960 0.028 0.000 0.294 59 G HA3 0.350 4.327 3.960 0.028 0.000 0.294 59 G C -3.156 171.540 174.900 -0.340 0.000 1.393 59 G CA -1.447 43.476 45.100 -0.295 0.000 0.796 59 G HN 0.452 nan 8.290 nan 0.000 0.494 60 P HA 0.355 nan 4.420 nan 0.000 0.265 60 P C 0.016 177.233 177.300 -0.140 0.000 1.193 60 P CA 0.026 63.035 63.100 -0.153 0.000 0.765 60 P CB 0.461 32.109 31.700 -0.087 0.000 0.823 61 I N -0.805 119.689 120.570 -0.128 0.000 2.707 61 I HA 0.499 4.685 4.170 0.028 0.000 0.309 61 I C -0.385 175.694 176.117 -0.062 0.000 1.001 61 I CA -1.049 60.193 61.300 -0.096 0.000 1.129 61 I CB 1.573 39.517 38.000 -0.093 0.000 1.308 61 I HN 0.185 nan 8.210 nan 0.000 0.466 62 Q N 4.027 123.799 119.800 -0.047 0.000 2.274 62 Q HA 0.744 5.100 4.340 0.028 0.000 0.260 62 Q C -1.384 174.603 176.000 -0.022 0.000 0.974 62 Q CA -0.834 54.950 55.803 -0.032 0.000 0.876 62 Q CB 2.939 31.661 28.738 -0.027 0.000 1.297 62 Q HN 0.592 nan 8.270 nan 0.000 0.446 63 L N 0.985 122.198 121.223 -0.016 0.000 2.445 63 L HA 0.346 4.703 4.340 0.028 0.000 0.262 63 L C -0.534 176.335 176.870 -0.002 0.000 0.974 63 L CA -0.923 53.913 54.840 -0.007 0.000 0.822 63 L CB 2.285 44.342 42.059 -0.003 0.000 1.339 63 L HN 0.638 nan 8.230 nan 0.000 0.409 64 D N 2.930 123.331 120.400 0.003 0.000 2.399 64 D HA 0.072 4.729 4.640 0.028 0.000 0.241 64 D C -1.817 174.497 176.300 0.025 0.000 1.133 64 D CA -1.132 52.872 54.000 0.007 0.000 0.890 64 D CB 2.064 42.866 40.800 0.003 0.000 1.201 64 D HN 0.240 nan 8.370 nan 0.000 0.432 65 P HA -0.124 nan 4.420 nan 0.000 0.218 65 P C 0.988 178.382 177.300 0.158 0.000 1.148 65 P CA 1.235 64.372 63.100 0.061 0.000 0.822 65 P CB 0.102 31.829 31.700 0.045 0.000 0.784 66 S N -1.892 113.861 115.700 0.087 0.000 2.634 66 S HA 0.348 4.835 4.470 0.028 0.000 0.221 66 S C 0.900 175.527 174.600 0.045 0.000 0.952 66 S CA -0.375 57.834 58.200 0.014 0.000 0.930 66 S CB -0.945 62.195 63.200 -0.101 0.000 0.780 66 S HN 0.104 nan 8.310 nan 0.000 0.498 67 A N 1.736 124.613 122.820 0.095 0.000 2.566 67 A HA 0.330 4.667 4.320 0.028 0.000 0.245 67 A C 1.321 178.977 177.584 0.119 0.000 1.056 67 A CA -0.217 51.860 52.037 0.066 0.000 0.757 67 A CB -0.572 18.451 19.000 0.039 0.000 0.979 67 A HN 0.561 nan 8.150 nan 0.000 0.508 68 I N 3.155 123.767 120.570 0.071 0.000 2.185 68 I HA -0.272 3.914 4.170 0.028 0.000 0.246 68 I C 2.360 178.543 176.117 0.110 0.000 1.088 68 I CA 1.892 63.258 61.300 0.110 0.000 1.347 68 I CB -0.308 37.758 38.000 0.110 0.000 1.041 68 I HN 0.612 nan 8.210 nan 0.000 0.415 69 V N 1.468 121.434 119.914 0.088 0.000 2.469 69 V HA -0.239 3.898 4.120 0.028 0.000 0.251 69 V C 2.047 178.159 176.094 0.030 0.000 1.064 69 V CA 1.803 64.161 62.300 0.097 0.000 1.066 69 V CB -0.237 31.648 31.823 0.103 0.000 0.667 69 V HN 0.370 nan 8.190 nan 0.000 0.461 70 L N -0.949 120.258 121.223 -0.026 0.000 2.599 70 L HA 0.082 4.439 4.340 0.028 0.000 0.230 70 L C 2.040 178.624 176.870 -0.476 0.000 1.141 70 L CA 0.524 55.248 54.840 -0.194 0.000 0.877 70 L CB -0.513 41.421 42.059 -0.208 0.000 1.009 70 L HN 0.465 nan 8.230 nan 0.000 0.447 71 H N -2.241 116.686 119.070 -0.239 0.000 2.348 71 H HA 0.136 4.709 4.556 0.027 0.000 0.233 71 H C 0.585 175.612 175.328 -0.501 0.000 0.889 71 H CA 0.476 56.222 56.048 -0.503 0.000 1.034 71 H CB 0.715 29.922 29.762 -0.926 0.000 1.393 71 H HN 0.157 nan 8.280 nan 0.000 0.422 72 Y N 0.769 121.182 120.300 0.189 0.000 2.681 72 Y HA 0.355 4.921 4.550 0.026 0.000 0.267 72 Y C 1.480 177.485 175.900 0.175 0.000 1.166 72 Y CA -0.194 57.998 58.100 0.153 0.000 1.209 72 Y CB 0.343 38.879 38.460 0.126 0.000 1.161 72 Y HN 0.281 nan 8.280 nan 0.000 0.534 73 G N 1.269 110.217 108.800 0.248 0.000 2.416 73 G HA2 -0.384 3.593 3.960 0.028 0.000 0.301 73 G HA3 -0.384 3.593 3.960 0.028 0.000 0.301 73 G C 0.335 175.483 174.900 0.412 0.000 0.985 73 G CA 0.501 45.771 45.100 0.283 0.000 0.934 73 G HN 0.531 nan 8.290 nan 0.000 0.513 74 Q N 0.406 120.404 119.800 0.329 0.000 2.402 74 Q HA 0.439 4.795 4.340 0.028 0.000 0.238 74 Q C 0.462 176.675 176.000 0.355 0.000 1.126 74 Q CA 0.139 56.134 55.803 0.321 0.000 0.904 74 Q CB 0.062 28.959 28.738 0.265 0.000 1.357 74 Q HN 0.790 nan 8.270 nan 0.000 0.491 75 E N 3.986 124.450 120.200 0.439 0.000 2.401 75 E HA 0.590 4.956 4.350 0.028 0.000 0.280 75 E C -1.121 175.781 176.600 0.503 0.000 1.039 75 E CA -0.923 55.731 56.400 0.424 0.000 0.814 75 E CB 1.106 31.022 29.700 0.361 0.000 1.275 75 E HN 0.495 nan 8.360 nan 0.000 0.448 76 I N -1.524 119.315 120.570 0.449 0.000 3.102 76 I HA 0.845 5.032 4.170 0.028 0.000 0.310 76 I C -1.360 175.065 176.117 0.513 0.000 1.246 76 I CA -1.240 60.322 61.300 0.437 0.000 0.979 76 I CB 1.909 40.069 38.000 0.265 0.000 1.267 76 I HN 0.689 nan 8.210 nan 0.000 0.451 77 F N -0.076 120.019 119.950 0.242 0.000 2.745 77 F HA 0.851 5.394 4.527 0.027 0.000 0.316 77 F C -1.244 174.678 175.800 0.203 0.000 1.155 77 F CA -0.571 57.571 58.000 0.237 0.000 0.937 77 F CB 1.425 40.511 39.000 0.142 0.000 1.361 77 F HN 0.505 nan 8.300 nan 0.000 0.472 78 E N -0.280 120.105 120.200 0.307 0.000 2.445 78 E HA 0.686 5.053 4.350 0.028 0.000 0.273 78 E C -1.377 175.398 176.600 0.293 0.000 0.961 78 E CA -1.004 55.497 56.400 0.168 0.000 0.807 78 E CB 2.149 31.990 29.700 0.235 0.000 1.362 78 E HN 1.078 nan 8.360 nan 0.000 0.453 79 G N 1.023 109.948 108.800 0.208 0.000 2.719 79 G HA2 0.599 4.575 3.960 0.028 0.000 0.284 79 G HA3 0.599 4.575 3.960 0.028 0.000 0.284 79 G C -0.939 174.035 174.900 0.125 0.000 1.488 79 G CA -0.464 44.736 45.100 0.166 0.000 1.139 79 G HN 0.333 nan 8.290 nan 0.000 0.552 80 L N -1.291 119.900 121.223 -0.053 0.000 2.503 80 L HA 0.916 5.273 4.340 0.028 0.000 0.248 80 L C -1.026 175.834 176.870 -0.017 0.000 1.126 80 L CA -1.433 53.456 54.840 0.082 0.000 0.929 80 L CB 1.958 44.102 42.059 0.141 0.000 1.544 80 L HN 0.337 nan 8.230 nan 0.000 0.404 81 K N -0.019 120.416 120.400 0.059 0.000 2.482 81 K HA 0.868 5.204 4.320 0.028 0.000 0.257 81 K C -1.429 175.044 176.600 -0.211 0.000 0.969 81 K CA -0.708 55.503 56.287 -0.127 0.000 0.842 81 K CB 2.443 34.776 32.500 -0.278 0.000 1.359 81 K HN 0.827 nan 8.250 nan 0.000 0.441 82 A N 1.730 124.355 122.820 -0.325 0.000 2.343 82 A HA 0.689 5.025 4.320 0.028 0.000 0.316 82 A C -1.663 175.737 177.584 -0.306 0.000 1.104 82 A CA -0.541 51.383 52.037 -0.188 0.000 0.768 82 A CB 0.357 19.308 19.000 -0.081 0.000 1.213 82 A HN 0.583 nan 8.150 nan 0.000 0.456 83 Y N 0.398 120.715 120.300 0.029 0.000 2.485 83 Y HA 0.661 5.227 4.550 0.028 0.000 0.345 83 Y C 0.479 176.390 175.900 0.019 0.000 0.998 83 Y CA -0.812 57.329 58.100 0.067 0.000 1.059 83 Y CB 1.617 40.163 38.460 0.142 0.000 1.234 83 Y HN 0.744 nan 8.280 nan 0.000 0.461 84 R N 1.939 122.600 120.500 0.269 0.000 2.294 84 R HA 0.337 4.694 4.340 0.028 0.000 0.319 84 R C -1.420 175.119 176.300 0.399 0.000 0.984 84 R CA -0.454 55.776 56.100 0.216 0.000 0.861 84 R CB 0.617 31.012 30.300 0.159 0.000 1.104 84 R HN 0.705 nan 8.270 nan 0.000 0.451 85 W N 1.557 122.909 121.300 0.087 0.000 2.481 85 W HA 0.433 5.110 4.660 0.028 0.000 0.369 85 W C 1.017 177.559 176.519 0.037 0.000 1.235 85 W CA -0.887 56.492 57.345 0.057 0.000 1.344 85 W CB 0.871 30.361 29.460 0.050 0.000 1.360 85 W HN 0.773 nan 8.180 nan 0.000 0.658 86 A N 0.550 123.481 122.820 0.185 0.000 1.933 86 A HA -0.225 4.112 4.320 0.028 0.000 0.218 86 A C 1.450 179.097 177.584 0.105 0.000 1.175 86 A CA 2.205 54.293 52.037 0.084 0.000 0.628 86 A CB -0.888 18.106 19.000 -0.011 0.000 0.814 86 A HN 0.612 nan 8.150 nan 0.000 0.444 87 D N -1.969 118.523 120.400 0.153 0.000 2.378 87 D HA 0.237 4.894 4.640 0.028 0.000 0.227 87 D C 1.214 177.589 176.300 0.126 0.000 1.012 87 D CA 1.067 55.146 54.000 0.131 0.000 0.905 87 D CB -0.678 40.218 40.800 0.159 0.000 0.895 87 D HN 0.826 nan 8.370 nan 0.000 0.532 88 G N -0.104 108.782 108.800 0.144 0.000 2.199 88 G HA2 -0.296 3.681 3.960 0.028 0.000 0.254 88 G HA3 -0.296 3.681 3.960 0.028 0.000 0.254 88 G C 0.444 175.403 174.900 0.099 0.000 0.982 88 G CA 0.450 45.614 45.100 0.107 0.000 0.632 88 G HN 0.869 nan 8.290 nan 0.000 0.529 89 S N 0.460 116.233 115.700 0.120 0.000 2.603 89 S HA 0.723 5.209 4.470 0.028 0.000 0.268 89 S C 0.241 174.840 174.600 -0.002 0.000 1.317 89 S CA -0.650 57.580 58.200 0.050 0.000 1.012 89 S CB 1.548 64.771 63.200 0.037 0.000 0.926 89 S HN 0.505 nan 8.310 nan 0.000 0.539 90 I N 2.926 123.464 120.570 -0.054 0.000 2.339 90 I HA 0.427 4.613 4.170 0.028 0.000 0.290 90 I C 0.255 176.275 176.117 -0.161 0.000 0.994 90 I CA -0.656 60.600 61.300 -0.073 0.000 1.191 90 I CB 0.835 38.819 38.000 -0.026 0.000 1.343 90 I HN 0.773 nan 8.210 nan 0.000 0.458 91 V N 3.066 122.832 119.914 -0.247 0.000 3.113 91 V HA 0.886 5.022 4.120 0.028 0.000 0.316 91 V C -0.331 175.768 176.094 0.008 0.000 1.125 91 V CA -0.612 61.523 62.300 -0.275 0.000 1.026 91 V CB 2.069 33.434 31.823 -0.763 0.000 1.080 91 V HN 0.742 nan 8.190 nan 0.000 0.444 92 S N 0.405 116.146 115.700 0.069 0.000 2.569 92 S HA 0.704 5.190 4.470 0.028 0.000 0.280 92 S C -1.424 173.359 174.600 0.305 0.000 1.111 92 S CA -0.478 57.868 58.200 0.244 0.000 0.887 92 S CB 1.576 64.853 63.200 0.129 0.000 1.095 92 S HN 1.060 nan 8.310 nan 0.000 0.476 93 F N 4.762 124.888 119.950 0.293 0.000 2.390 93 F HA 0.513 5.057 4.527 0.027 0.000 0.361 93 F C 0.987 176.863 175.800 0.126 0.000 1.124 93 F CA -0.307 57.818 58.000 0.209 0.000 1.149 93 F CB 0.116 39.260 39.000 0.241 0.000 1.160 93 F HN 0.847 nan 8.300 nan 0.000 0.501 94 R N 4.881 125.100 120.500 -0.468 0.000 3.225 94 R HA -0.177 4.180 4.340 0.028 0.000 0.245 94 R C -2.023 174.187 176.300 -0.150 0.000 0.928 94 R CA 0.541 56.392 56.100 -0.414 0.000 0.632 94 R CB -1.456 28.351 30.300 -0.822 0.000 1.038 94 R HN 0.534 nan 8.270 nan 0.000 0.461 95 P HA -0.175 nan 4.420 nan 0.000 0.218 95 P C 0.590 177.918 177.300 0.047 0.000 1.148 95 P CA 1.312 64.474 63.100 0.103 0.000 0.822 95 P CB 0.255 32.043 31.700 0.148 0.000 0.784 96 E N 0.637 120.830 120.200 -0.012 0.000 2.153 96 E HA -0.113 4.253 4.350 0.028 0.000 0.194 96 E C 2.326 178.841 176.600 -0.142 0.000 0.988 96 E CA 1.558 57.919 56.400 -0.065 0.000 0.811 96 E CB -1.192 28.486 29.700 -0.037 0.000 0.746 96 E HN 0.254 nan 8.360 nan 0.000 0.466 97 A N 0.960 123.698 122.820 -0.136 0.000 1.902 97 A HA -0.230 4.107 4.320 0.028 0.000 0.217 97 A C 1.811 179.286 177.584 -0.182 0.000 1.181 97 A CA 1.883 53.830 52.037 -0.150 0.000 0.623 97 A CB -0.658 18.242 19.000 -0.166 0.000 0.818 97 A HN 0.245 nan 8.150 nan 0.000 0.443 98 N N 0.359 118.949 118.700 -0.183 0.000 2.188 98 N HA 0.013 4.770 4.740 0.028 0.000 0.184 98 N C 1.810 176.954 175.510 -0.611 0.000 1.018 98 N CA 1.333 54.243 53.050 -0.233 0.000 0.858 98 N CB -0.329 38.146 38.487 -0.020 0.000 0.989 98 N HN 0.472 nan 8.380 nan 0.000 0.426 99 A N 0.819 123.069 122.820 -0.951 0.000 1.902 99 A HA -0.005 4.331 4.320 0.028 0.000 0.217 99 A C 2.270 179.505 177.584 -0.581 0.000 1.181 99 A CA 1.793 53.056 52.037 -1.290 0.000 0.623 99 A CB -0.984 17.514 19.000 -0.837 0.000 0.818 99 A HN 0.331 nan 8.150 nan 0.000 0.443 100 A N -0.650 121.956 122.820 -0.357 0.000 1.929 100 A HA -0.092 4.245 4.320 0.028 0.000 0.216 100 A C 2.229 179.703 177.584 -0.184 0.000 1.176 100 A CA 1.561 53.468 52.037 -0.216 0.000 0.628 100 A CB -0.412 18.499 19.000 -0.149 0.000 0.816 100 A HN 0.539 nan 8.150 nan 0.000 0.444 101 R N -0.891 119.493 120.500 -0.193 0.000 2.115 101 R HA -0.036 4.321 4.340 0.028 0.000 0.226 101 R C 1.946 178.167 176.300 -0.131 0.000 1.100 101 R CA 1.192 57.210 56.100 -0.137 0.000 0.980 101 R CB -0.313 29.919 30.300 -0.114 0.000 0.875 101 R HN 0.425 nan 8.270 nan 0.000 0.445 102 L N 1.267 122.382 121.223 -0.180 0.000 2.046 102 L HA -0.169 4.187 4.340 0.028 0.000 0.208 102 L C 1.955 178.772 176.870 -0.089 0.000 1.077 102 L CA 1.773 56.548 54.840 -0.108 0.000 0.747 102 L CB -0.260 41.733 42.059 -0.110 0.000 0.896 102 L HN 0.225 nan 8.230 nan 0.000 0.432 103 Q N -1.513 118.210 119.800 -0.129 0.000 2.124 103 Q HA -0.192 4.164 4.340 0.028 0.000 0.202 103 Q C 2.400 178.356 176.000 -0.073 0.000 0.977 103 Q CA 1.619 57.365 55.803 -0.094 0.000 0.850 103 Q CB -0.299 28.377 28.738 -0.104 0.000 0.901 103 Q HN 0.604 nan 8.270 nan 0.000 0.429 104 S N 0.146 115.800 115.700 -0.078 0.000 2.355 104 S HA -0.140 4.346 4.470 0.028 0.000 0.222 104 S C 2.080 176.648 174.600 -0.052 0.000 1.031 104 S CA 1.452 59.615 58.200 -0.062 0.000 0.993 104 S CB -0.116 63.047 63.200 -0.062 0.000 0.859 104 S HN 0.291 nan 8.310 nan 0.000 0.453 105 S N 1.507 117.179 115.700 -0.048 0.000 2.368 105 S HA -0.013 4.474 4.470 0.028 0.000 0.225 105 S C 2.229 176.813 174.600 -0.028 0.000 1.030 105 S CA 1.109 59.293 58.200 -0.027 0.000 0.999 105 S CB -0.762 62.433 63.200 -0.008 0.000 0.844 105 S HN 0.714 nan 8.310 nan 0.000 0.459 106 A N 2.073 124.875 122.820 -0.029 0.000 1.883 106 A HA -0.154 4.183 4.320 0.028 0.000 0.217 106 A C 2.153 179.697 177.584 -0.066 0.000 1.186 106 A CA 1.436 53.447 52.037 -0.043 0.000 0.624 106 A CB -0.537 18.433 19.000 -0.051 0.000 0.822 106 A HN 0.420 nan 8.150 nan 0.000 0.444 107 R N -1.302 119.161 120.500 -0.061 0.000 2.091 107 R HA -0.160 4.197 4.340 0.028 0.000 0.238 107 R C 2.431 178.692 176.300 -0.064 0.000 1.136 107 R CA 1.658 57.722 56.100 -0.060 0.000 0.959 107 R CB -0.275 29.995 30.300 -0.050 0.000 0.856 107 R HN 0.432 nan 8.270 nan 0.000 0.437 108 R N 0.673 121.131 120.500 -0.070 0.000 2.115 108 R HA -0.019 4.337 4.340 0.028 0.000 0.230 108 R C 1.278 177.502 176.300 -0.126 0.000 1.111 108 R CA 1.135 57.183 56.100 -0.087 0.000 0.976 108 R CB -0.069 30.180 30.300 -0.085 0.000 0.870 108 R HN 0.094 nan 8.270 nan 0.000 0.445 109 L N 0.360 121.504 121.223 -0.132 0.000 2.685 109 L HA 0.376 4.732 4.340 0.028 0.000 0.233 109 L C 0.321 177.150 176.870 -0.069 0.000 1.173 109 L CA 0.547 55.292 54.840 -0.158 0.000 0.961 109 L CB -0.890 41.062 42.059 -0.178 0.000 1.217 109 L HN 0.370 nan 8.230 nan 0.000 0.478 110 A N 0.563 123.346 122.820 -0.062 0.000 2.791 110 A HA -0.227 4.109 4.320 0.028 0.000 0.292 110 A C 0.294 177.849 177.584 -0.049 0.000 1.487 110 A CA 0.731 52.746 52.037 -0.038 0.000 0.760 110 A CB -2.305 16.691 19.000 -0.006 0.000 1.031 110 A HN 0.350 nan 8.150 nan 0.000 0.503 111 I N -0.477 120.014 120.570 -0.132 0.000 2.474 111 I HA 0.389 4.575 4.170 0.028 0.000 0.294 111 I C -2.247 173.643 176.117 -0.380 0.000 1.005 111 I CA -2.750 58.334 61.300 -0.360 0.000 1.113 111 I CB 1.965 39.803 38.000 -0.269 0.000 1.289 111 I HN -0.002 nan 8.210 nan 0.000 0.436 112 P HA 0.032 nan 4.420 nan 0.000 0.264 112 P C -0.851 176.393 177.300 -0.093 0.000 1.193 112 P CA 0.065 62.905 63.100 -0.434 0.000 0.763 112 P CB 0.351 31.405 31.700 -1.076 0.000 0.810 113 E N 1.516 121.727 120.200 0.017 0.000 2.383 113 E HA 0.211 4.578 4.350 0.028 0.000 0.264 113 E C -0.421 176.270 176.600 0.153 0.000 1.050 113 E CA -0.527 55.904 56.400 0.050 0.000 0.896 113 E CB 0.448 30.152 29.700 0.006 0.000 0.982 113 E HN 0.263 nan 8.360 nan 0.000 0.424 114 L N 4.656 125.826 121.223 -0.088 0.000 2.287 114 L HA 0.356 4.712 4.340 0.028 0.000 0.287 114 L C -2.529 174.196 176.870 -0.241 0.000 1.022 114 L CA -2.060 52.532 54.840 -0.413 0.000 0.814 114 L CB 1.035 42.649 42.059 -0.741 0.000 1.217 114 L HN 0.263 nan 8.230 nan 0.000 0.420 115 P HA -0.044 nan 4.420 nan 0.000 0.263 115 P C 0.403 177.654 177.300 -0.081 0.000 1.175 115 P CA 0.260 63.311 63.100 -0.082 0.000 0.761 115 P CB 0.515 32.194 31.700 -0.035 0.000 0.794 116 E N 2.438 122.602 120.200 -0.060 0.000 2.130 116 E HA -0.287 4.080 4.350 0.028 0.000 0.196 116 E C 0.855 177.475 176.600 0.033 0.000 0.998 116 E CA 1.562 57.939 56.400 -0.039 0.000 0.806 116 E CB 0.155 29.820 29.700 -0.057 0.000 0.738 116 E HN 0.443 nan 8.360 nan 0.000 0.459 117 E N 0.011 120.219 120.200 0.014 0.000 2.077 117 E HA -0.148 4.219 4.350 0.028 0.000 0.193 117 E C 2.130 178.752 176.600 0.036 0.000 0.989 117 E CA 1.189 57.605 56.400 0.028 0.000 0.800 117 E CB -0.214 29.501 29.700 0.024 0.000 0.746 117 E HN 0.125 nan 8.360 nan 0.000 0.452 118 V N 0.686 120.607 119.914 0.011 0.000 2.427 118 V HA -0.195 3.942 4.120 0.028 0.000 0.248 118 V C 1.926 178.001 176.094 -0.033 0.000 1.051 118 V CA 1.561 63.865 62.300 0.006 0.000 1.048 118 V CB -0.498 31.246 31.823 -0.132 0.000 0.666 118 V HN 0.202 nan 8.190 nan 0.000 0.456 119 F N 0.703 120.522 119.950 -0.219 0.000 2.046 119 F HA -0.208 4.335 4.527 0.027 0.000 0.297 119 F C 2.248 177.995 175.800 -0.088 0.000 1.123 119 F CA 1.843 59.719 58.000 -0.208 0.000 1.199 119 F CB -0.192 38.693 39.000 -0.191 0.000 0.972 119 F HN 0.008 nan 8.300 nan 0.000 0.474 120 I N 0.562 121.235 120.570 0.171 0.000 2.208 120 I HA -0.256 3.930 4.170 0.028 0.000 0.245 120 I C 2.361 178.421 176.117 -0.096 0.000 1.097 120 I CA 1.607 62.943 61.300 0.061 0.000 1.363 120 I CB -1.555 36.497 38.000 0.087 0.000 1.051 120 I HN 0.256 nan 8.210 nan 0.000 0.413 121 E N 1.554 121.690 120.200 -0.106 0.000 2.077 121 E HA -0.190 4.177 4.350 0.028 0.000 0.193 121 E C 2.329 178.668 176.600 -0.435 0.000 0.989 121 E CA 1.887 58.146 56.400 -0.235 0.000 0.800 121 E CB -0.185 29.419 29.700 -0.161 0.000 0.746 121 E HN 0.528 nan 8.360 nan 0.000 0.452 122 S N -0.023 115.485 115.700 -0.320 0.000 2.383 122 S HA -0.170 4.317 4.470 0.028 0.000 0.229 122 S C 2.091 176.535 174.600 -0.260 0.000 1.030 122 S CA 1.304 59.343 58.200 -0.268 0.000 1.002 122 S CB -0.675 62.557 63.200 0.053 0.000 0.829 122 S HN 0.345 nan 8.310 nan 0.000 0.467 123 L N 0.849 121.910 121.223 -0.269 0.000 2.056 123 L HA -0.046 4.310 4.340 0.028 0.000 0.207 123 L C 3.166 179.932 176.870 -0.173 0.000 1.078 123 L CA 1.512 56.225 54.840 -0.211 0.000 0.749 123 L CB -0.583 41.361 42.059 -0.192 0.000 0.901 123 L HN 0.292 nan 8.230 nan 0.000 0.433 124 R N -0.345 120.041 120.500 -0.191 0.000 2.081 124 R HA -0.147 4.210 4.340 0.028 0.000 0.235 124 R C 2.393 178.578 176.300 -0.193 0.000 1.131 124 R CA 1.001 57.001 56.100 -0.167 0.000 0.960 124 R CB -0.307 29.894 30.300 -0.165 0.000 0.856 124 R HN 0.395 nan 8.270 nan 0.000 0.436 125 Q N 0.663 120.284 119.800 -0.299 0.000 2.084 125 Q HA -0.157 4.200 4.340 0.028 0.000 0.202 125 Q C 2.200 178.097 176.000 -0.171 0.000 0.978 125 Q CA 1.146 56.773 55.803 -0.293 0.000 0.844 125 Q CB -0.305 28.123 28.738 -0.517 0.000 0.898 125 Q HN 0.220 nan 8.270 nan 0.000 0.426 126 L N 0.552 121.690 121.223 -0.142 0.000 2.056 126 L HA -0.106 4.251 4.340 0.028 0.000 0.207 126 L C 1.986 178.821 176.870 -0.057 0.000 1.078 126 L CA 1.301 56.094 54.840 -0.079 0.000 0.749 126 L CB -0.519 41.502 42.059 -0.064 0.000 0.901 126 L HN 0.090 nan 8.230 nan 0.000 0.433 127 I N 0.173 120.704 120.570 -0.064 0.000 2.394 127 I HA -0.195 3.992 4.170 0.028 0.000 0.251 127 I C 2.637 178.738 176.117 -0.027 0.000 1.136 127 I CA 1.265 62.547 61.300 -0.030 0.000 1.425 127 I CB -1.931 36.045 38.000 -0.040 0.000 1.079 127 I HN 0.337 nan 8.210 nan 0.000 0.425 128 A N 0.836 123.619 122.820 -0.060 0.000 2.024 128 A HA -0.141 4.195 4.320 0.028 0.000 0.220 128 A C 2.288 179.840 177.584 -0.054 0.000 1.164 128 A CA 2.278 54.280 52.037 -0.058 0.000 0.643 128 A CB -0.656 18.295 19.000 -0.081 0.000 0.806 128 A HN 0.391 nan 8.150 nan 0.000 0.451 129 V N -4.805 115.063 119.914 -0.077 0.000 3.523 129 V HA 0.213 4.350 4.120 0.028 0.000 0.255 129 V C 0.557 176.670 176.094 0.031 0.000 1.226 129 V CA 1.000 63.232 62.300 -0.113 0.000 1.092 129 V CB 0.078 31.674 31.823 -0.379 0.000 0.817 129 V HN 0.229 nan 8.190 nan 0.000 0.458 130 D N 0.824 121.284 120.400 0.100 0.000 2.501 130 D HA 0.118 4.774 4.640 0.028 0.000 0.226 130 D C 1.730 178.199 176.300 0.281 0.000 1.198 130 D CA 0.146 54.324 54.000 0.296 0.000 0.830 130 D CB 0.447 41.361 40.800 0.189 0.000 1.014 130 D HN 0.516 nan 8.370 nan 0.000 0.496 131 E N 1.991 122.277 120.200 0.144 0.000 2.160 131 E HA -0.238 4.129 4.350 0.028 0.000 0.195 131 E C 1.465 178.124 176.600 0.099 0.000 0.991 131 E CA 1.010 57.468 56.400 0.098 0.000 0.810 131 E CB 0.176 29.904 29.700 0.046 0.000 0.742 131 E HN 0.415 nan 8.360 nan 0.000 0.466 132 K N -0.954 119.494 120.400 0.080 0.000 2.442 132 K HA -0.139 4.198 4.320 0.028 0.000 0.198 132 K C 1.470 177.990 176.600 -0.134 0.000 1.044 132 K CA 1.308 57.562 56.287 -0.055 0.000 0.948 132 K CB -0.515 31.900 32.500 -0.141 0.000 0.762 132 K HN 0.130 nan 8.250 nan 0.000 0.472 133 W N 1.687 122.986 121.300 -0.003 0.000 3.197 133 W HA 0.161 4.838 4.660 0.028 0.000 0.274 133 W C -0.136 176.374 176.519 -0.016 0.000 1.297 133 W CA -0.466 56.870 57.345 -0.015 0.000 1.662 133 W CB 0.403 29.856 29.460 -0.012 0.000 1.106 133 W HN -0.253 nan 8.180 nan 0.000 0.663 134 V N 3.277 123.290 119.914 0.165 0.000 2.470 134 V HA 0.119 4.256 4.120 0.028 0.000 0.276 134 V C -1.633 174.505 176.094 0.074 0.000 1.040 134 V CA -1.916 60.447 62.300 0.105 0.000 1.008 134 V CB 0.136 32.007 31.823 0.079 0.000 0.990 134 V HN -0.313 nan 8.190 nan 0.000 0.477 135 P HA 0.130 nan 4.420 nan 0.000 0.270 135 P C -2.496 174.847 177.300 0.071 0.000 1.221 135 P CA -0.722 62.416 63.100 0.062 0.000 0.788 135 P CB -0.178 31.567 31.700 0.075 0.000 0.904 136 P HA 0.092 nan 4.420 nan 0.000 0.271 136 P C -0.556 176.801 177.300 0.095 0.000 1.233 136 P CA 0.213 63.349 63.100 0.061 0.000 0.789 136 P CB 0.296 32.018 31.700 0.037 0.000 0.951 137 A N 1.218 124.099 122.820 0.102 0.000 2.272 137 A HA 0.559 4.896 4.320 0.028 0.000 0.275 137 A C 1.309 178.937 177.584 0.074 0.000 1.096 137 A CA 0.231 52.343 52.037 0.125 0.000 0.822 137 A CB -0.865 18.220 19.000 0.140 0.000 1.088 137 A HN 0.808 nan 8.150 nan 0.000 0.495 138 G N -1.597 107.234 108.800 0.052 0.000 2.179 138 G HA2 0.127 4.104 3.960 0.028 0.000 0.260 138 G HA3 0.127 4.104 3.960 0.028 0.000 0.260 138 G C 0.762 175.675 174.900 0.022 0.000 0.977 138 G CA 0.723 45.829 45.100 0.011 0.000 0.641 138 G HN 1.993 nan 8.290 nan 0.000 0.533 139 G N -0.861 107.973 108.800 0.057 0.000 3.140 139 G HA2 0.662 4.639 3.960 0.028 0.000 0.271 139 G HA3 0.662 4.639 3.960 0.028 0.000 0.271 139 G C 0.447 175.405 174.900 0.097 0.000 1.370 139 G CA 0.452 45.591 45.100 0.065 0.000 1.014 139 G HN 0.449 nan 8.290 nan 0.000 0.541 140 E N -0.168 120.095 120.200 0.105 0.000 2.465 140 E HA 0.124 4.491 4.350 0.028 0.000 0.195 140 E C 0.075 176.774 176.600 0.165 0.000 1.028 140 E CA 0.023 56.506 56.400 0.139 0.000 0.899 140 E CB 0.380 30.159 29.700 0.130 0.000 1.032 140 E HN 0.545 nan 8.360 nan 0.000 0.468 141 E N 1.171 121.459 120.200 0.147 0.000 2.349 141 E HA 0.367 4.734 4.350 0.028 0.000 0.262 141 E C -0.183 176.507 176.600 0.149 0.000 1.088 141 E CA -0.157 56.324 56.400 0.136 0.000 0.899 141 E CB 1.096 30.857 29.700 0.101 0.000 1.044 141 E HN 0.280 nan 8.360 nan 0.000 0.420 142 S N 0.885 116.646 115.700 0.103 0.000 2.703 142 S HA 0.471 4.957 4.470 0.028 0.000 0.273 142 S C -1.755 172.852 174.600 0.013 0.000 1.178 142 S CA -0.991 57.215 58.200 0.009 0.000 0.838 142 S CB 0.752 63.848 63.200 -0.174 0.000 1.178 142 S HN 0.267 nan 8.310 nan 0.000 0.494 143 L N 1.962 123.153 121.223 -0.054 0.000 2.316 143 L HA 0.593 4.950 4.340 0.028 0.000 0.280 143 L C -1.238 175.634 176.870 0.003 0.000 1.006 143 L CA -0.602 54.238 54.840 -0.000 0.000 0.836 143 L CB 0.882 42.943 42.059 0.004 0.000 1.221 143 L HN 0.807 nan 8.230 nan 0.000 0.418 144 Y N 5.525 125.774 120.300 -0.085 0.000 2.402 144 Y HA 0.459 5.026 4.550 0.028 0.000 0.333 144 Y C -0.815 175.056 175.900 -0.049 0.000 1.076 144 Y CA -0.201 57.863 58.100 -0.060 0.000 1.299 144 Y CB 0.557 38.922 38.460 -0.158 0.000 1.197 144 Y HN 0.535 nan 8.280 nan 0.000 0.517 145 L N 7.516 128.420 121.223 -0.530 0.000 2.296 145 L HA 0.478 4.834 4.340 0.028 0.000 0.286 145 L C -0.423 176.144 176.870 -0.504 0.000 1.023 145 L CA -1.003 53.615 54.840 -0.371 0.000 0.812 145 L CB 1.361 43.295 42.059 -0.209 0.000 1.223 145 L HN 0.474 nan 8.230 nan 0.000 0.421 146 R N 5.195 125.555 120.500 -0.232 0.000 2.335 146 R HA 0.466 4.822 4.340 0.028 0.000 0.302 146 R C -2.835 173.565 176.300 0.166 0.000 1.147 146 R CA -2.113 53.951 56.100 -0.059 0.000 1.111 146 R CB 0.829 31.125 30.300 -0.008 0.000 1.122 146 R HN 0.164 nan 8.270 nan 0.000 0.557 147 P HA 0.397 nan 4.420 nan 0.000 0.288 147 P C -1.337 176.249 177.300 0.477 0.000 1.267 147 P CA -0.312 62.922 63.100 0.224 0.000 0.815 147 P CB 0.685 32.584 31.700 0.332 0.000 0.989 148 F N -0.266 119.670 119.950 -0.023 0.000 2.678 148 F HA 0.720 5.263 4.527 0.028 0.000 0.308 148 F C -1.908 173.968 175.800 0.126 0.000 1.118 148 F CA -1.362 56.717 58.000 0.132 0.000 0.959 148 F CB 0.940 40.018 39.000 0.129 0.000 1.305 148 F HN -0.035 nan 8.300 nan 0.000 0.443 149 V N 3.457 123.544 119.914 0.289 0.000 2.656 149 V HA 0.674 4.810 4.120 0.028 0.000 0.307 149 V C -0.222 176.066 176.094 0.322 0.000 1.051 149 V CA -0.788 61.668 62.300 0.260 0.000 0.893 149 V CB 1.848 33.878 31.823 0.346 0.000 0.999 149 V HN 0.845 nan 8.190 nan 0.000 0.426 150 I N 1.125 121.868 120.570 0.289 0.000 2.608 150 I HA 0.960 5.147 4.170 0.028 0.000 0.295 150 I C 0.074 176.358 176.117 0.278 0.000 1.049 150 I CA -1.046 60.426 61.300 0.286 0.000 1.063 150 I CB 2.207 40.331 38.000 0.208 0.000 1.248 150 I HN 0.605 nan 8.210 nan 0.000 0.424 151 A N 3.176 126.114 122.820 0.196 0.000 2.404 151 A HA 0.506 4.843 4.320 0.028 0.000 0.273 151 A C 0.878 178.408 177.584 -0.090 0.000 1.144 151 A CA 0.167 52.127 52.037 -0.127 0.000 0.806 151 A CB -0.042 18.907 19.000 -0.085 0.000 1.080 151 A HN 0.939 nan 8.150 nan 0.000 0.509 152 T N -0.408 114.054 114.554 -0.152 0.000 3.010 152 T HA 0.176 4.543 4.350 0.028 0.000 0.257 152 T C 0.472 175.131 174.700 -0.069 0.000 1.020 152 T CA 0.094 62.157 62.100 -0.061 0.000 0.938 152 T CB -0.183 68.673 68.868 -0.020 0.000 1.049 152 T HN 0.704 nan 8.240 nan 0.000 0.522 153 E N 3.765 123.890 120.200 -0.125 0.000 2.384 153 E HA 0.168 4.535 4.350 0.028 0.000 0.266 153 E C -2.258 174.317 176.600 -0.041 0.000 1.012 153 E CA -1.952 54.399 56.400 -0.082 0.000 0.901 153 E CB 0.797 30.433 29.700 -0.106 0.000 0.967 153 E HN 0.243 nan 8.360 nan 0.000 0.435 154 P HA 0.291 nan 4.420 nan 0.000 0.276 154 P C -0.603 176.684 177.300 -0.022 0.000 1.244 154 P CA -0.160 62.927 63.100 -0.021 0.000 0.801 154 P CB 1.157 32.846 31.700 -0.019 0.000 1.006 155 G N 0.834 109.612 108.800 -0.037 0.000 2.760 155 G HA2 -0.020 3.956 3.960 0.028 0.000 0.540 155 G HA3 -0.020 3.956 3.960 0.028 0.000 0.540 155 G C -0.093 174.799 174.900 -0.013 0.000 1.476 155 G CA -0.780 44.306 45.100 -0.023 0.000 0.949 155 G HN 0.376 nan 8.290 nan 0.000 0.633 156 L N 1.414 122.621 121.223 -0.027 0.000 2.612 156 L HA 0.283 4.640 4.340 0.028 0.000 0.230 156 L C 1.810 178.786 176.870 0.176 0.000 1.140 156 L CA 0.563 55.418 54.840 0.024 0.000 0.896 156 L CB -0.076 41.945 42.059 -0.063 0.000 1.065 156 L HN 0.666 nan 8.230 nan 0.000 0.447 157 G N 0.213 109.070 108.800 0.094 0.000 2.432 157 G HA2 0.355 4.332 3.960 0.028 0.000 0.257 157 G HA3 0.355 4.332 3.960 0.028 0.000 0.257 157 G C -0.286 174.582 174.900 -0.054 0.000 1.238 157 G CA -0.292 44.821 45.100 0.021 0.000 0.838 157 G HN -0.096 nan 8.290 nan 0.000 0.547 158 V N 4.846 124.628 119.914 -0.219 0.000 2.372 158 V HA 0.549 4.685 4.120 0.028 0.000 0.261 158 V C 0.351 176.329 176.094 -0.194 0.000 1.055 158 V CA -0.222 61.827 62.300 -0.419 0.000 0.930 158 V CB -0.423 31.108 31.823 -0.486 0.000 1.031 158 V HN 1.016 nan 8.190 nan 0.000 0.479 159 R N 4.797 125.225 120.500 -0.121 0.000 2.765 159 R HA 0.412 4.769 4.340 0.028 0.000 0.277 159 R C -3.635 172.668 176.300 0.005 0.000 1.028 159 R CA -1.760 54.311 56.100 -0.048 0.000 0.860 159 R CB 0.210 30.492 30.300 -0.030 0.000 1.270 159 R HN 0.321 nan 8.270 nan 0.000 0.484 160 P HA 0.081 nan 4.420 nan 0.000 0.264 160 P C -0.215 177.136 177.300 0.086 0.000 1.193 160 P CA 0.152 63.303 63.100 0.086 0.000 0.763 160 P CB 0.597 32.348 31.700 0.085 0.000 0.810 161 S N 2.321 118.065 115.700 0.073 0.000 2.579 161 S HA 0.067 4.553 4.470 0.028 0.000 0.275 161 S C 1.027 175.606 174.600 -0.035 0.000 1.345 161 S CA -0.204 57.920 58.200 -0.127 0.000 1.031 161 S CB 0.019 62.898 63.200 -0.535 0.000 0.892 161 S HN 0.316 nan 8.310 nan 0.000 0.529 162 N N 1.907 120.575 118.700 -0.054 0.000 2.184 162 N HA 0.212 4.969 4.740 0.028 0.000 0.206 162 N C -0.872 174.714 175.510 0.126 0.000 1.151 162 N CA 0.166 53.281 53.050 0.109 0.000 0.878 162 N CB 0.542 39.067 38.487 0.063 0.000 1.014 162 N HN 0.658 nan 8.380 nan 0.000 0.512 163 E N -0.081 120.044 120.200 -0.126 0.000 2.275 163 E HA 0.389 4.756 4.350 0.028 0.000 0.270 163 E C -1.317 175.110 176.600 -0.288 0.000 0.882 163 E CA -0.530 55.852 56.400 -0.030 0.000 0.758 163 E CB 1.933 31.605 29.700 -0.047 0.000 1.195 163 E HN -0.005 nan 8.360 nan 0.000 0.419 164 Y N 0.167 120.531 120.300 0.106 0.000 2.644 164 Y HA 0.537 5.103 4.550 0.027 0.000 0.338 164 Y C -0.411 175.578 175.900 0.148 0.000 1.119 164 Y CA -1.085 57.069 58.100 0.090 0.000 1.060 164 Y CB 2.126 40.601 38.460 0.025 0.000 1.294 164 Y HN 0.321 nan 8.280 nan 0.000 0.472 165 R N 1.185 121.895 120.500 0.350 0.000 2.538 165 R HA 0.402 4.759 4.340 0.028 0.000 0.292 165 R C -2.218 174.236 176.300 0.257 0.000 1.008 165 R CA -0.757 55.504 56.100 0.268 0.000 0.896 165 R CB 1.276 31.629 30.300 0.088 0.000 1.187 165 R HN 0.758 nan 8.270 nan 0.000 0.440 166 Y N 5.659 126.061 120.300 0.170 0.000 2.320 166 Y HA 0.517 5.084 4.550 0.028 0.000 0.334 166 Y C -1.477 174.281 175.900 -0.236 0.000 1.055 166 Y CA -0.402 57.663 58.100 -0.057 0.000 1.143 166 Y CB 0.856 39.227 38.460 -0.147 0.000 1.193 166 Y HN 0.496 nan 8.280 nan 0.000 0.477 167 L N 6.832 127.344 121.223 -1.185 0.000 2.370 167 L HA 0.572 4.928 4.340 0.028 0.000 0.266 167 L C -1.611 174.602 176.870 -1.094 0.000 1.002 167 L CA -1.308 52.880 54.840 -1.087 0.000 0.818 167 L CB 2.224 43.587 42.059 -1.160 0.000 1.325 167 L HN 0.638 nan 8.230 nan 0.000 0.418 168 L N 4.323 125.235 121.223 -0.520 0.000 2.441 168 L HA 0.648 5.005 4.340 0.028 0.000 0.270 168 L C -0.823 176.038 176.870 -0.016 0.000 0.973 168 L CA -0.161 54.534 54.840 -0.242 0.000 0.842 168 L CB 1.479 43.397 42.059 -0.235 0.000 1.239 168 L HN 0.482 nan 8.230 nan 0.000 0.406 169 I N 1.880 122.516 120.570 0.110 0.000 2.846 169 I HA 1.042 5.228 4.170 0.028 0.000 0.307 169 I C -0.640 175.513 176.117 0.060 0.000 1.053 169 I CA -0.872 60.511 61.300 0.137 0.000 1.050 169 I CB 2.221 40.362 38.000 0.235 0.000 1.239 169 I HN 0.700 nan 8.210 nan 0.000 0.439 170 A N 2.471 125.311 122.820 0.034 0.000 2.414 170 A HA 0.776 5.112 4.320 0.028 0.000 0.306 170 A C -0.843 176.724 177.584 -0.028 0.000 1.054 170 A CA -0.586 51.438 52.037 -0.021 0.000 0.724 170 A CB 1.794 20.753 19.000 -0.068 0.000 1.267 170 A HN 0.741 nan 8.150 nan 0.000 0.418 171 S N 2.926 118.603 115.700 -0.040 0.000 2.733 171 S HA 0.684 5.171 4.470 0.028 0.000 0.294 171 S C -3.009 171.517 174.600 -0.123 0.000 1.149 171 S CA -1.472 56.617 58.200 -0.184 0.000 1.034 171 S CB 1.465 64.470 63.200 -0.326 0.000 1.015 171 S HN 0.545 nan 8.310 nan 0.000 0.486 172 P HA 0.218 nan 4.420 nan 0.000 0.265 172 P C -1.146 176.158 177.300 0.006 0.000 1.193 172 P CA -0.130 62.990 63.100 0.034 0.000 0.765 172 P CB 0.553 32.325 31.700 0.121 0.000 0.823 173 A N 3.578 126.440 122.820 0.070 0.000 2.311 173 A HA 0.654 4.990 4.320 0.028 0.000 0.306 173 A C 0.585 178.260 177.584 0.151 0.000 1.189 173 A CA -0.511 51.621 52.037 0.158 0.000 0.791 173 A CB 0.914 20.100 19.000 0.310 0.000 1.172 173 A HN 0.569 nan 8.150 nan 0.000 0.481 174 G N 0.805 109.683 108.800 0.129 0.000 2.588 174 G HA2 0.563 4.539 3.960 0.028 0.000 0.278 174 G HA3 0.563 4.539 3.960 0.028 0.000 0.278 174 G C 0.566 175.525 174.900 0.099 0.000 1.307 174 G CA -0.028 45.127 45.100 0.093 0.000 1.016 174 G HN 1.684 nan 8.290 nan 0.000 0.503 175 A N -0.980 121.888 122.820 0.079 0.000 2.545 175 A HA 0.175 4.511 4.320 0.028 0.000 0.253 175 A C 0.853 178.460 177.584 0.040 0.000 1.074 175 A CA 0.005 52.096 52.037 0.091 0.000 0.760 175 A CB -0.266 18.787 19.000 0.089 0.000 1.005 175 A HN 0.778 nan 8.150 nan 0.000 0.506 176 Y N 3.085 123.317 120.300 -0.114 0.000 2.165 176 Y HA -0.129 4.438 4.550 0.027 0.000 0.286 176 Y C 0.425 176.051 175.900 -0.457 0.000 1.155 176 Y CA 1.897 59.779 58.100 -0.363 0.000 1.164 176 Y CB -0.048 38.063 38.460 -0.582 0.000 0.978 176 Y HN 0.605 nan 8.280 nan 0.000 0.513 177 F N 1.967 121.997 119.950 0.133 0.000 2.318 177 F HA 0.224 4.767 4.527 0.027 0.000 0.356 177 F C 1.201 177.012 175.800 0.019 0.000 1.109 177 F CA -0.856 57.179 58.000 0.058 0.000 1.234 177 F CB 0.378 39.442 39.000 0.107 0.000 1.545 177 F HN -0.025 nan 8.300 nan 0.000 0.534 178 K N 0.798 121.254 120.400 0.094 0.000 1.965 178 K HA -0.092 4.245 4.320 0.028 0.000 0.218 178 K C 1.538 178.185 176.600 0.078 0.000 1.048 178 K CA 1.389 57.713 56.287 0.062 0.000 0.960 178 K CB -0.727 31.778 32.500 0.009 0.000 0.732 178 K HN 0.558 nan 8.250 nan 0.000 0.444 179 G N 1.553 110.396 108.800 0.071 0.000 3.455 179 G HA2 0.419 4.395 3.960 0.028 0.000 0.250 179 G HA3 0.419 4.395 3.960 0.028 0.000 0.250 179 G C 0.147 175.086 174.900 0.066 0.000 1.071 179 G CA -0.050 45.083 45.100 0.056 0.000 1.812 179 G HN 0.768 nan 8.290 nan 0.000 0.643 180 G N 0.023 108.874 108.800 0.084 0.000 2.757 180 G HA2 -0.191 3.786 3.960 0.028 0.000 0.686 180 G HA3 -0.191 3.786 3.960 0.028 0.000 0.686 180 G C 0.130 175.046 174.900 0.025 0.000 1.452 180 G CA -0.348 44.781 45.100 0.048 0.000 0.922 180 G HN 0.893 nan 8.290 nan 0.000 0.588 181 I N 0.612 121.087 120.570 -0.158 0.000 2.752 181 I HA 0.420 4.606 4.170 0.028 0.000 0.287 181 I C 0.432 176.355 176.117 -0.323 0.000 1.188 181 I CA 0.245 61.183 61.300 -0.603 0.000 1.427 181 I CB 0.343 37.897 38.000 -0.744 0.000 1.365 181 I HN 0.557 nan 8.210 nan 0.000 0.585 182 K N 8.584 128.811 120.400 -0.289 0.000 2.513 182 K HA 0.526 4.862 4.320 0.028 0.000 0.251 182 K C -2.694 173.903 176.600 -0.004 0.000 0.939 182 K CA -1.737 54.517 56.287 -0.056 0.000 0.793 182 K CB 2.199 34.737 32.500 0.063 0.000 1.241 182 K HN 0.316 nan 8.250 nan 0.000 0.431 183 P HA 0.163 nan 4.420 nan 0.000 0.274 183 P C -0.297 177.051 177.300 0.081 0.000 1.246 183 P CA -0.504 62.621 63.100 0.042 0.000 0.795 183 P CB 0.914 32.632 31.700 0.030 0.000 1.006 184 V N -1.763 118.212 119.914 0.102 0.000 2.960 184 V HA 0.748 4.884 4.120 0.028 0.000 0.315 184 V C -0.057 176.097 176.094 0.099 0.000 1.087 184 V CA -0.947 61.415 62.300 0.103 0.000 0.982 184 V CB 1.409 33.307 31.823 0.125 0.000 1.039 184 V HN 0.726 nan 8.190 nan 0.000 0.437 185 S N 2.025 117.781 115.700 0.094 0.000 2.565 185 S HA 0.879 5.366 4.470 0.028 0.000 0.290 185 S C -0.245 174.416 174.600 0.102 0.000 1.150 185 S CA -0.123 58.146 58.200 0.115 0.000 1.058 185 S CB 1.336 64.615 63.200 0.132 0.000 1.032 185 S HN 2.160 nan 8.310 nan 0.000 0.510 186 V N -0.564 119.397 119.914 0.078 0.000 2.914 186 V HA 0.724 4.861 4.120 0.028 0.000 0.314 186 V C -0.988 175.179 176.094 0.120 0.000 1.084 186 V CA -1.020 61.332 62.300 0.086 0.000 0.963 186 V CB 1.724 33.594 31.823 0.079 0.000 1.025 186 V HN 1.096 nan 8.190 nan 0.000 0.432 187 W N 5.514 126.783 121.300 -0.051 0.000 2.475 187 W HA 0.601 5.275 4.660 0.023 0.000 0.320 187 W C -1.668 174.827 176.519 -0.040 0.000 1.022 187 W CA -1.101 56.218 57.345 -0.042 0.000 1.240 187 W CB 1.798 31.239 29.460 -0.032 0.000 1.328 187 W HN 0.713 nan 8.180 nan 0.000 0.439 188 L N 5.840 126.629 121.223 -0.723 0.000 2.369 188 L HA 0.046 4.403 4.340 0.028 0.000 0.279 188 L C 1.142 177.503 176.870 -0.849 0.000 1.108 188 L CA 0.122 54.613 54.840 -0.582 0.000 0.852 188 L CB 0.729 42.572 42.059 -0.361 0.000 1.169 188 L HN 0.365 nan 8.230 nan 0.000 0.452 189 S N 1.404 116.842 115.700 -0.437 0.000 2.481 189 S HA -0.034 4.452 4.470 0.028 0.000 0.282 189 S C 0.879 175.473 174.600 -0.010 0.000 1.243 189 S CA -0.212 57.910 58.200 -0.130 0.000 1.078 189 S CB 0.081 63.260 63.200 -0.035 0.000 0.916 189 S HN 0.640 nan 8.310 nan 0.000 0.495 190 H N 3.301 122.361 119.070 -0.017 0.000 2.553 190 H HA 0.291 4.862 4.556 0.025 0.000 0.276 190 H C 1.720 177.033 175.328 -0.025 0.000 0.979 190 H CA 1.322 57.346 56.048 -0.041 0.000 1.268 190 H CB 0.309 30.049 29.762 -0.036 0.000 1.450 190 H HN 0.736 nan 8.280 nan 0.000 0.527 191 E N -1.014 119.202 120.200 0.027 0.000 2.307 191 E HA 0.037 4.404 4.350 0.028 0.000 0.195 191 E C -0.659 175.715 176.600 -0.377 0.000 0.975 191 E CA -0.038 56.217 56.400 -0.242 0.000 0.878 191 E CB 0.439 29.943 29.700 -0.326 0.000 0.845 191 E HN 0.391 nan 8.360 nan 0.000 0.488 192 Y N -0.695 119.700 120.300 0.158 0.000 2.562 192 Y HA 0.491 5.055 4.550 0.023 0.000 0.343 192 Y C -0.283 175.827 175.900 0.349 0.000 1.025 192 Y CA -1.158 57.088 58.100 0.243 0.000 1.082 192 Y CB 1.921 40.584 38.460 0.339 0.000 1.264 192 Y HN -0.325 nan 8.280 nan 0.000 0.478 193 V N 1.902 122.098 119.914 0.470 0.000 2.864 193 V HA 0.418 4.555 4.120 0.028 0.000 0.314 193 V C 0.555 176.638 176.094 -0.019 0.000 1.073 193 V CA -0.964 61.524 62.300 0.313 0.000 0.956 193 V CB 2.018 33.922 31.823 0.136 0.000 1.023 193 V HN 0.868 nan 8.190 nan 0.000 0.435 194 R N 1.238 121.500 120.500 -0.398 0.000 2.140 194 R HA 0.496 4.852 4.340 0.028 0.000 0.213 194 R C 0.403 176.445 176.300 -0.430 0.000 1.059 194 R CA 1.196 56.712 56.100 -0.974 0.000 1.000 194 R CB 0.421 29.835 30.300 -1.477 0.000 0.910 194 R HN 0.913 nan 8.270 nan 0.000 0.455 195 A N -0.505 122.184 122.820 -0.219 0.000 2.566 195 A HA 0.460 4.797 4.320 0.028 0.000 0.290 195 A C -1.307 176.251 177.584 -0.043 0.000 1.071 195 A CA -0.529 51.444 52.037 -0.106 0.000 0.658 195 A CB 1.262 20.200 19.000 -0.103 0.000 1.285 195 A HN 0.233 nan 8.150 nan 0.000 0.427 196 S N -0.131 115.558 115.700 -0.018 0.000 2.599 196 S HA 0.862 5.349 4.470 0.028 0.000 0.294 196 S C -3.120 171.477 174.600 -0.005 0.000 1.094 196 S CA -1.645 56.554 58.200 -0.003 0.000 0.931 196 S CB 1.256 64.460 63.200 0.007 0.000 1.093 196 S HN 0.463 nan 8.310 nan 0.000 0.488 197 P HA 0.210 nan 4.420 nan 0.000 0.261 197 P C 1.145 178.439 177.300 -0.009 0.000 1.165 197 P CA 1.805 64.900 63.100 -0.007 0.000 0.759 197 P CB -0.090 31.607 31.700 -0.005 0.000 0.772 198 G N 1.954 110.745 108.800 -0.014 0.000 2.220 198 G HA2 -0.246 3.731 3.960 0.028 0.000 0.269 198 G HA3 -0.246 3.731 3.960 0.028 0.000 0.269 198 G C 0.825 175.715 174.900 -0.016 0.000 0.977 198 G CA 0.270 45.360 45.100 -0.016 0.000 0.634 198 G HN 0.876 nan 8.290 nan 0.000 0.539 199 G N -0.555 108.239 108.800 -0.010 0.000 2.467 199 G HA2 0.442 4.419 3.960 0.028 0.000 0.243 199 G HA3 0.442 4.419 3.960 0.028 0.000 0.243 199 G C 1.144 176.040 174.900 -0.007 0.000 1.521 199 G CA 1.652 46.750 45.100 -0.003 0.000 1.055 199 G HN 1.323 nan 8.290 nan 0.000 0.553 200 T N -3.410 111.156 114.554 0.020 0.000 3.215 200 T HA 0.360 4.726 4.350 0.028 0.000 0.271 200 T C 1.795 176.532 174.700 0.062 0.000 1.012 200 T CA 0.713 62.834 62.100 0.035 0.000 0.899 200 T CB 0.724 69.638 68.868 0.076 0.000 1.089 200 T HN 0.593 nan 8.240 nan 0.000 0.552 201 G N 1.429 110.236 108.800 0.011 0.000 2.448 201 G HA2 0.113 4.089 3.960 0.028 0.000 0.219 201 G HA3 0.113 4.089 3.960 0.028 0.000 0.219 201 G C 1.393 176.285 174.900 -0.013 0.000 1.127 201 G CA 0.386 45.472 45.100 -0.023 0.000 0.766 201 G HN 0.723 nan 8.290 nan 0.000 0.552 202 A N -0.460 122.356 122.820 -0.007 0.000 2.337 202 A HA 0.756 5.093 4.320 0.028 0.000 0.227 202 A C 1.015 178.597 177.584 -0.003 0.000 1.259 202 A CA 0.764 52.794 52.037 -0.011 0.000 0.870 202 A CB -0.119 18.869 19.000 -0.020 0.000 0.927 202 A HN 0.702 nan 8.150 nan 0.000 0.497 203 A N -0.297 122.538 122.820 0.024 0.000 2.365 203 A HA 0.636 4.973 4.320 0.028 0.000 0.318 203 A C -0.123 177.507 177.584 0.075 0.000 1.091 203 A CA -0.663 51.395 52.037 0.034 0.000 0.763 203 A CB 0.719 19.741 19.000 0.037 0.000 1.248 203 A HN 0.174 nan 8.150 nan 0.000 0.442 204 K N 1.768 122.156 120.400 -0.020 0.000 2.111 204 K HA 0.276 4.612 4.320 0.028 0.000 0.249 204 K C -1.276 175.326 176.600 0.004 0.000 1.157 204 K CA 0.111 56.285 56.287 -0.189 0.000 1.048 204 K CB -0.276 31.885 32.500 -0.565 0.000 1.498 204 K HN 0.501 nan 8.250 nan 0.000 0.344 205 F N 1.641 121.661 119.950 0.117 0.000 2.467 205 F HA 0.408 4.951 4.527 0.027 0.000 0.336 205 F C 1.043 177.091 175.800 0.412 0.000 1.123 205 F CA -1.216 56.928 58.000 0.241 0.000 0.964 205 F CB 1.301 40.387 39.000 0.144 0.000 1.136 205 F HN 0.392 nan 8.300 nan 0.000 0.447 206 G N 3.769 112.592 108.800 0.038 0.000 2.505 206 G HA2 -0.296 3.680 3.960 0.028 0.000 0.220 206 G HA3 -0.296 3.680 3.960 0.028 0.000 0.220 206 G C 1.590 176.193 174.900 -0.495 0.000 1.145 206 G CA 0.899 45.909 45.100 -0.149 0.000 0.761 206 G HN 1.037 nan 8.290 nan 0.000 0.571 207 G N 1.081 108.981 108.800 -1.500 0.000 2.469 207 G HA2 -0.306 3.670 3.960 0.028 0.000 0.220 207 G HA3 -0.306 3.670 3.960 0.028 0.000 0.220 207 G C 1.731 176.394 174.900 -0.395 0.000 1.136 207 G CA 1.224 45.746 45.100 -0.964 0.000 0.759 207 G HN 0.446 nan 8.290 nan 0.000 0.562 208 N N -0.054 118.459 118.700 -0.312 0.000 2.149 208 N HA -0.102 4.654 4.740 0.028 0.000 0.188 208 N C 1.785 177.192 175.510 -0.171 0.000 1.019 208 N CA 1.087 54.061 53.050 -0.126 0.000 0.857 208 N CB -0.417 38.030 38.487 -0.067 0.000 0.997 208 N HN 0.491 nan 8.380 nan 0.000 0.426 209 Y N 0.969 121.213 120.300 -0.093 0.000 2.206 209 Y HA 0.099 4.665 4.550 0.028 0.000 0.292 209 Y C 2.453 178.327 175.900 -0.043 0.000 1.123 209 Y CA 0.909 58.990 58.100 -0.032 0.000 1.142 209 Y CB -0.705 37.748 38.460 -0.010 0.000 1.006 209 Y HN 0.003 nan 8.280 nan 0.000 0.518 210 A N 0.205 123.069 122.820 0.073 0.000 1.940 210 A HA -0.192 4.144 4.320 0.028 0.000 0.219 210 A C 2.315 179.902 177.584 0.006 0.000 1.176 210 A CA 1.924 53.973 52.037 0.020 0.000 0.631 210 A CB -1.200 17.788 19.000 -0.020 0.000 0.814 210 A HN 0.403 nan 8.150 nan 0.000 0.446 211 A N -0.190 122.621 122.820 -0.015 0.000 2.168 211 A HA 0.107 4.444 4.320 0.028 0.000 0.215 211 A C 2.151 179.727 177.584 -0.014 0.000 1.152 211 A CA 1.673 53.703 52.037 -0.011 0.000 0.716 211 A CB -0.537 18.454 19.000 -0.015 0.000 0.794 211 A HN 0.990 nan 8.150 nan 0.000 0.465 212 S N -0.993 114.707 115.700 0.001 0.000 2.540 212 S HA 0.208 4.694 4.470 0.028 0.000 0.218 212 S C 1.532 176.194 174.600 0.103 0.000 0.977 212 S CA 0.128 58.403 58.200 0.126 0.000 0.918 212 S CB -0.505 62.801 63.200 0.177 0.000 0.806 212 S HN 0.408 nan 8.310 nan 0.000 0.496 213 L N 0.922 122.164 121.223 0.032 0.000 2.012 213 L HA -0.090 4.266 4.340 0.028 0.000 0.210 213 L C 2.521 179.361 176.870 -0.051 0.000 1.073 213 L CA 1.497 56.345 54.840 0.014 0.000 0.748 213 L CB -0.738 41.327 42.059 0.010 0.000 0.891 213 L HN 0.342 nan 8.230 nan 0.000 0.431 214 L N -0.480 120.656 121.223 -0.146 0.000 2.083 214 L HA -0.206 4.150 4.340 0.028 0.000 0.209 214 L C 2.878 179.556 176.870 -0.319 0.000 1.083 214 L CA 1.113 55.812 54.840 -0.235 0.000 0.752 214 L CB -0.676 41.184 42.059 -0.331 0.000 0.899 214 L HN 0.274 nan 8.230 nan 0.000 0.433 215 A N -0.420 122.140 122.820 -0.434 0.000 1.902 215 A HA -0.278 4.059 4.320 0.028 0.000 0.217 215 A C 2.189 179.742 177.584 -0.052 0.000 1.181 215 A CA 1.841 53.750 52.037 -0.213 0.000 0.623 215 A CB -0.468 18.509 19.000 -0.038 0.000 0.818 215 A HN 0.404 nan 8.150 nan 0.000 0.443 216 Q N 0.098 119.882 119.800 -0.026 0.000 2.079 216 Q HA 0.018 4.375 4.340 0.028 0.000 0.200 216 Q C 1.993 177.992 176.000 -0.003 0.000 0.974 216 Q CA 2.178 57.982 55.803 0.002 0.000 0.840 216 Q CB -0.716 28.051 28.738 0.049 0.000 0.898 216 Q HN 0.517 nan 8.270 nan 0.000 0.430 217 A N 0.343 123.153 122.820 -0.016 0.000 1.933 217 A HA -0.250 4.086 4.320 0.028 0.000 0.218 217 A C 2.095 179.661 177.584 -0.030 0.000 1.175 217 A CA 1.730 53.756 52.037 -0.019 0.000 0.628 217 A CB -0.755 18.233 19.000 -0.019 0.000 0.814 217 A HN 0.619 nan 8.150 nan 0.000 0.444 218 Q N -0.622 119.170 119.800 -0.014 0.000 2.119 218 Q HA -0.093 4.263 4.340 0.028 0.000 0.201 218 Q C 2.182 178.084 176.000 -0.164 0.000 0.972 218 Q CA 1.413 57.196 55.803 -0.032 0.000 0.847 218 Q CB -0.343 28.467 28.738 0.120 0.000 0.903 218 Q HN 0.607 nan 8.270 nan 0.000 0.433 219 A N 0.844 123.631 122.820 -0.055 0.000 1.883 219 A HA -0.163 4.174 4.320 0.028 0.000 0.217 219 A C 2.283 179.802 177.584 -0.109 0.000 1.186 219 A CA 1.798 53.807 52.037 -0.046 0.000 0.624 219 A CB -1.033 18.042 19.000 0.125 0.000 0.822 219 A HN 0.559 nan 8.150 nan 0.000 0.444 220 A N -0.320 122.460 122.820 -0.066 0.000 1.933 220 A HA -0.151 4.186 4.320 0.028 0.000 0.218 220 A C 1.860 179.382 177.584 -0.104 0.000 1.175 220 A CA 1.632 53.632 52.037 -0.062 0.000 0.628 220 A CB -0.503 18.476 19.000 -0.035 0.000 0.814 220 A HN 0.642 nan 8.150 nan 0.000 0.444 221 E N -0.855 119.264 120.200 -0.135 0.000 2.268 221 E HA -0.077 4.289 4.350 0.028 0.000 0.195 221 E C 1.305 177.772 176.600 -0.222 0.000 0.995 221 E CA 0.775 57.087 56.400 -0.148 0.000 0.836 221 E CB -0.093 29.531 29.700 -0.126 0.000 0.763 221 E HN 0.425 nan 8.360 nan 0.000 0.491 222 M N -0.732 118.658 119.600 -0.350 0.000 2.561 222 M HA 0.144 4.641 4.480 0.028 0.000 0.238 222 M C 0.990 177.138 176.300 -0.253 0.000 1.131 222 M CA 0.509 55.527 55.300 -0.469 0.000 1.046 222 M CB 0.122 32.084 32.600 -1.063 0.000 1.532 222 M HN 0.214 nan 8.290 nan 0.000 0.497 223 G N 0.824 109.531 108.800 -0.156 0.000 2.171 223 G HA2 -0.197 3.780 3.960 0.028 0.000 0.238 223 G HA3 -0.197 3.780 3.960 0.028 0.000 0.238 223 G C -0.110 174.774 174.900 -0.027 0.000 1.039 223 G CA -0.050 45.002 45.100 -0.080 0.000 0.759 223 G HN 0.488 nan 8.290 nan 0.000 0.501 224 C N -0.394 118.898 119.300 -0.013 0.000 2.779 224 C HA 0.648 5.125 4.460 0.028 0.000 0.314 224 C C 1.303 176.319 174.990 0.043 0.000 1.231 224 C CA -0.444 58.606 59.018 0.054 0.000 1.652 224 C CB 1.830 29.654 27.740 0.141 0.000 2.198 224 C HN 0.422 nan 8.230 nan 0.000 0.483 225 D N -0.046 120.390 120.400 0.060 0.000 2.120 225 D HA 0.002 4.659 4.640 0.028 0.000 0.202 225 D C 0.450 176.787 176.300 0.060 0.000 0.972 225 D CA 1.341 55.373 54.000 0.054 0.000 0.837 225 D CB 0.240 41.079 40.800 0.065 0.000 0.989 225 D HN 0.551 nan 8.370 nan 0.000 0.469 226 Q N 0.152 119.997 119.800 0.074 0.000 2.451 226 Q HA 0.420 4.777 4.340 0.028 0.000 0.281 226 Q C -0.856 175.170 176.000 0.043 0.000 1.099 226 Q CA -0.704 55.136 55.803 0.061 0.000 0.806 226 Q CB 3.230 32.013 28.738 0.074 0.000 1.419 226 Q HN -0.059 nan 8.270 nan 0.000 0.427 227 V N 1.115 121.005 119.914 -0.039 0.000 2.644 227 V HA 0.497 4.633 4.120 0.028 0.000 0.295 227 V C -0.794 175.094 176.094 -0.344 0.000 1.053 227 V CA -0.370 61.825 62.300 -0.174 0.000 0.987 227 V CB 1.652 33.266 31.823 -0.349 0.000 1.006 227 V HN 0.524 nan 8.190 nan 0.000 0.472 228 V N 6.149 125.847 119.914 -0.360 0.000 2.495 228 V HA 0.471 4.608 4.120 0.028 0.000 0.298 228 V C -0.861 175.018 176.094 -0.358 0.000 1.031 228 V CA -0.659 61.484 62.300 -0.261 0.000 0.871 228 V CB 1.802 33.638 31.823 0.022 0.000 0.988 228 V HN 0.985 nan 8.190 nan 0.000 0.432 229 W N 4.994 126.343 121.300 0.080 0.000 2.376 229 W HA 0.715 5.389 4.660 0.022 0.000 0.322 229 W C -0.293 176.267 176.519 0.067 0.000 1.160 229 W CA -0.467 56.917 57.345 0.065 0.000 1.218 229 W CB 0.763 30.252 29.460 0.049 0.000 1.205 229 W HN 0.277 nan 8.180 nan 0.000 0.559 230 L N 3.445 124.845 121.223 0.295 0.000 2.333 230 L HA 0.305 4.662 4.340 0.028 0.000 0.269 230 L C 0.327 177.305 176.870 0.180 0.000 1.010 230 L CA -1.346 53.605 54.840 0.187 0.000 0.818 230 L CB 1.251 43.367 42.059 0.094 0.000 1.306 230 L HN 0.473 nan 8.230 nan 0.000 0.430 231 D N 1.521 122.018 120.400 0.162 0.000 2.506 231 D HA -0.062 4.595 4.640 0.028 0.000 0.234 231 D C 0.742 177.101 176.300 0.099 0.000 1.143 231 D CA 0.079 54.163 54.000 0.140 0.000 0.871 231 D CB 1.764 42.683 40.800 0.197 0.000 1.190 231 D HN 0.638 nan 8.370 nan 0.000 0.459 232 A N 3.313 126.178 122.820 0.074 0.000 2.066 232 A HA -0.051 4.286 4.320 0.028 0.000 0.218 232 A C 2.219 179.824 177.584 0.036 0.000 1.157 232 A CA 0.543 52.609 52.037 0.050 0.000 0.670 232 A CB -0.393 18.629 19.000 0.036 0.000 0.804 232 A HN 0.707 nan 8.150 nan 0.000 0.453 233 I N -0.932 119.669 120.570 0.052 0.000 2.185 233 I HA -0.157 4.029 4.170 0.028 0.000 0.235 233 I C 2.186 178.328 176.117 0.041 0.000 1.069 233 I CA 1.451 62.779 61.300 0.047 0.000 1.354 233 I CB -0.354 37.683 38.000 0.062 0.000 1.093 233 I HN 0.280 nan 8.210 nan 0.000 0.411 234 E N 0.288 120.529 120.200 0.068 0.000 2.472 234 E HA 0.080 4.446 4.350 0.028 0.000 0.196 234 E C -0.218 176.360 176.600 -0.037 0.000 1.033 234 E CA -0.165 56.247 56.400 0.019 0.000 0.886 234 E CB 0.404 30.126 29.700 0.037 0.000 0.944 234 E HN 0.175 nan 8.360 nan 0.000 0.492 235 R N 0.440 120.933 120.500 -0.012 0.000 3.516 235 R HA -0.237 4.120 4.340 0.028 0.000 0.271 235 R C 0.771 177.027 176.300 -0.074 0.000 1.098 235 R CA 1.321 57.401 56.100 -0.035 0.000 0.732 235 R CB -2.337 27.918 30.300 -0.076 0.000 1.152 235 R HN 0.516 nan 8.270 nan 0.000 0.455 236 R N -2.334 118.079 120.500 -0.144 0.000 2.646 236 R HA 0.116 4.473 4.340 0.028 0.000 0.226 236 R C 0.050 176.173 176.300 -0.294 0.000 0.928 236 R CA -0.276 55.660 56.100 -0.273 0.000 1.010 236 R CB 0.292 30.315 30.300 -0.462 0.000 1.516 236 R HN 0.103 nan 8.270 nan 0.000 0.621 237 Y N 2.429 122.738 120.300 0.015 0.000 2.393 237 Y HA 0.280 4.846 4.550 0.028 0.000 0.338 237 Y C 0.525 176.448 175.900 0.037 0.000 1.029 237 Y CA -0.915 57.189 58.100 0.006 0.000 1.239 237 Y CB 1.464 39.917 38.460 -0.012 0.000 1.170 237 Y HN -0.258 nan 8.280 nan 0.000 0.515 238 V N 4.909 124.932 119.914 0.182 0.000 2.585 238 V HA -0.040 4.097 4.120 0.028 0.000 0.296 238 V C 0.437 176.622 176.094 0.152 0.000 1.035 238 V CA 0.426 62.830 62.300 0.175 0.000 1.084 238 V CB 0.842 32.760 31.823 0.158 0.000 0.953 238 V HN 0.932 nan 8.190 nan 0.000 0.483 239 E N 2.821 123.127 120.200 0.176 0.000 2.329 239 E HA 0.287 4.653 4.350 0.028 0.000 0.189 239 E C -0.075 176.606 176.600 0.135 0.000 0.997 239 E CA -0.077 56.408 56.400 0.142 0.000 1.062 239 E CB 0.683 30.481 29.700 0.162 0.000 1.260 239 E HN 0.808 nan 8.360 nan 0.000 0.490 240 E N -0.065 120.274 120.200 0.231 0.000 2.458 240 E HA 0.405 4.772 4.350 0.028 0.000 0.278 240 E C -1.261 175.505 176.600 0.276 0.000 1.004 240 E CA -0.604 55.931 56.400 0.225 0.000 0.823 240 E CB 2.370 32.210 29.700 0.233 0.000 1.396 240 E HN -0.047 nan 8.360 nan 0.000 0.463 241 M N 1.804 121.528 119.600 0.207 0.000 2.043 241 M HA 0.376 4.872 4.480 0.028 0.000 0.322 241 M C 0.311 176.738 176.300 0.211 0.000 0.962 241 M CA 0.283 55.669 55.300 0.143 0.000 0.927 241 M CB 0.424 33.084 32.600 0.099 0.000 1.466 241 M HN 0.807 nan 8.290 nan 0.000 0.412 242 G N 3.620 112.581 108.800 0.269 0.000 2.622 242 G HA2 -0.319 3.658 3.960 0.028 0.000 0.307 242 G HA3 -0.319 3.658 3.960 0.028 0.000 0.307 242 G C 0.385 175.498 174.900 0.355 0.000 1.226 242 G CA 0.126 45.450 45.100 0.374 0.000 0.997 242 G HN 1.111 nan 8.290 nan 0.000 0.551 243 G N -0.546 108.414 108.800 0.266 0.000 3.782 243 G HA2 0.567 4.544 3.960 0.028 0.000 0.288 243 G HA3 0.567 4.544 3.960 0.028 0.000 0.288 243 G C 0.089 175.126 174.900 0.227 0.000 1.300 243 G CA 0.359 45.613 45.100 0.257 0.000 1.261 243 G HN 0.556 nan 8.290 nan 0.000 0.591 244 M N -0.200 119.515 119.600 0.192 0.000 2.501 244 M HA 0.287 4.783 4.480 0.028 0.000 0.293 244 M C -0.765 175.618 176.300 0.138 0.000 1.192 244 M CA -0.743 54.652 55.300 0.158 0.000 0.886 244 M CB 2.432 35.115 32.600 0.139 0.000 1.710 244 M HN 0.003 nan 8.290 nan 0.000 0.457 245 N N 0.860 119.637 118.700 0.128 0.000 2.408 245 N HA 0.677 5.433 4.740 0.028 0.000 0.260 245 N C -1.390 174.147 175.510 0.045 0.000 1.242 245 N CA -0.338 52.762 53.050 0.082 0.000 0.959 245 N CB 0.855 39.398 38.487 0.094 0.000 1.201 245 N HN 0.414 nan 8.380 nan 0.000 0.511 246 L N 0.971 122.136 121.223 -0.096 0.000 2.354 246 L HA 0.573 4.929 4.340 0.028 0.000 0.269 246 L C -1.294 175.270 176.870 -0.511 0.000 1.005 246 L CA -0.617 54.060 54.840 -0.271 0.000 0.819 246 L CB 1.202 43.071 42.059 -0.317 0.000 1.311 246 L HN 0.411 nan 8.230 nan 0.000 0.423 247 F N 1.232 120.663 119.950 -0.866 0.000 2.563 247 F HA 0.584 5.128 4.527 0.028 0.000 0.316 247 F C -0.670 174.555 175.800 -0.959 0.000 1.076 247 F CA -0.482 57.020 58.000 -0.830 0.000 0.921 247 F CB 1.965 40.205 39.000 -1.266 0.000 1.209 247 F HN 0.059 nan 8.300 nan 0.000 0.462 248 F N 2.049 121.920 119.950 -0.132 0.000 2.493 248 F HA 0.610 5.153 4.527 0.027 0.000 0.329 248 F C -0.559 175.323 175.800 0.137 0.000 1.126 248 F CA -1.176 56.783 58.000 -0.068 0.000 0.937 248 F CB 1.654 40.609 39.000 -0.076 0.000 1.146 248 F HN -0.031 nan 8.300 nan 0.000 0.442 249 V N 4.391 124.431 119.914 0.210 0.000 2.370 249 V HA 0.322 4.459 4.120 0.028 0.000 0.279 249 V C -0.575 175.596 176.094 0.128 0.000 1.029 249 V CA -0.691 61.739 62.300 0.217 0.000 0.870 249 V CB 0.710 32.615 31.823 0.136 0.000 0.984 249 V HN 0.430 nan 8.190 nan 0.000 0.451 250 F N 3.644 123.634 119.950 0.068 0.000 2.404 250 F HA 0.741 5.284 4.527 0.027 0.000 0.354 250 F C 1.022 176.844 175.800 0.037 0.000 1.122 250 F CA 0.520 58.554 58.000 0.058 0.000 1.080 250 F CB 1.200 40.229 39.000 0.049 0.000 1.131 250 F HN 0.846 nan 8.300 nan 0.000 0.471 251 G N 1.846 110.734 108.800 0.147 0.000 2.593 251 G HA2 0.058 4.035 3.960 0.028 0.000 0.237 251 G HA3 0.058 4.035 3.960 0.028 0.000 0.237 251 G C -0.450 174.488 174.900 0.063 0.000 1.312 251 G CA -0.180 44.984 45.100 0.105 0.000 0.896 251 G HN 0.984 nan 8.290 nan 0.000 0.574 252 S N -2.340 113.396 115.700 0.060 0.000 2.727 252 S HA 0.826 5.312 4.470 0.028 0.000 0.278 252 S C 0.741 175.387 174.600 0.076 0.000 1.186 252 S CA 1.226 59.450 58.200 0.040 0.000 0.836 252 S CB 0.871 64.094 63.200 0.038 0.000 1.186 252 S HN 3.074 nan 8.310 nan 0.000 0.499 253 G N 0.825 109.680 108.800 0.091 0.000 2.598 253 G HA2 -0.074 3.902 3.960 0.028 0.000 0.244 253 G HA3 -0.074 3.902 3.960 0.028 0.000 0.244 253 G C 0.873 175.937 174.900 0.274 0.000 1.302 253 G CA 0.313 45.498 45.100 0.142 0.000 0.903 253 G HN 1.785 nan 8.290 nan 0.000 0.575 254 G N -0.567 108.374 108.800 0.234 0.000 2.650 254 G HA2 0.285 4.262 3.960 0.028 0.000 0.214 254 G HA3 0.285 4.262 3.960 0.028 0.000 0.214 254 G C 1.766 176.838 174.900 0.287 0.000 1.136 254 G CA 1.798 47.058 45.100 0.267 0.000 0.789 254 G HN 1.916 nan 8.290 nan 0.000 0.536 255 S N -0.370 115.464 115.700 0.223 0.000 2.556 255 S HA 0.612 5.099 4.470 0.028 0.000 0.216 255 S C 1.179 175.897 174.600 0.196 0.000 0.970 255 S CA 0.249 58.560 58.200 0.184 0.000 0.912 255 S CB 0.319 63.590 63.200 0.117 0.000 0.790 255 S HN 0.483 nan 8.310 nan 0.000 0.504 256 A N 1.972 124.916 122.820 0.207 0.000 2.483 256 A HA 0.519 4.856 4.320 0.028 0.000 0.238 256 A C 0.393 178.037 177.584 0.100 0.000 1.070 256 A CA -0.283 51.799 52.037 0.075 0.000 0.770 256 A CB 0.153 19.064 19.000 -0.148 0.000 1.008 256 A HN 0.650 nan 8.150 nan 0.000 0.497 257 R N 0.987 121.556 120.500 0.116 0.000 2.740 257 R HA 0.666 5.022 4.340 0.028 0.000 0.282 257 R C -1.849 174.555 176.300 0.174 0.000 0.969 257 R CA -0.677 55.501 56.100 0.130 0.000 0.918 257 R CB 0.933 31.276 30.300 0.072 0.000 1.175 257 R HN 0.553 nan 8.270 nan 0.000 0.464 258 L N 3.574 124.900 121.223 0.171 0.000 2.322 258 L HA 0.519 4.876 4.340 0.028 0.000 0.281 258 L C -1.007 175.977 176.870 0.191 0.000 1.014 258 L CA -0.576 54.417 54.840 0.255 0.000 0.815 258 L CB 2.168 44.421 42.059 0.323 0.000 1.247 258 L HN 0.375 nan 8.230 nan 0.000 0.421 259 V N 1.845 121.898 119.914 0.232 0.000 2.604 259 V HA 0.766 4.903 4.120 0.028 0.000 0.305 259 V C -0.280 175.854 176.094 0.065 0.000 1.043 259 V CA -0.468 61.883 62.300 0.085 0.000 0.888 259 V CB 2.130 33.967 31.823 0.024 0.000 0.995 259 V HN 0.779 nan 8.190 nan 0.000 0.429 260 T N 5.555 120.032 114.554 -0.129 0.000 2.956 260 T HA 0.528 4.895 4.350 0.028 0.000 0.312 260 T C -3.023 171.545 174.700 -0.220 0.000 1.151 260 T CA -1.695 60.205 62.100 -0.333 0.000 1.024 260 T CB 2.338 70.624 68.868 -0.970 0.000 1.140 260 T HN 0.373 nan 8.240 nan 0.000 0.473 261 P HA 0.072 nan 4.420 nan 0.000 0.262 261 P C -0.255 176.967 177.300 -0.130 0.000 1.182 261 P CA 0.015 63.042 63.100 -0.121 0.000 0.761 261 P CB 0.347 32.007 31.700 -0.066 0.000 0.795 262 E N 4.873 125.003 120.200 -0.116 0.000 2.392 262 E HA 0.026 4.392 4.350 0.028 0.000 0.259 262 E C -0.399 176.153 176.600 -0.080 0.000 1.108 262 E CA -0.269 56.072 56.400 -0.098 0.000 0.916 262 E CB 0.315 29.956 29.700 -0.098 0.000 0.989 262 E HN 0.359 nan 8.360 nan 0.000 0.432 263 L N 3.340 124.525 121.223 -0.063 0.000 2.400 263 L HA -0.025 4.332 4.340 0.028 0.000 0.262 263 L C 1.654 178.493 176.870 -0.051 0.000 1.309 263 L CA 0.109 54.919 54.840 -0.049 0.000 1.186 263 L CB -0.776 41.260 42.059 -0.037 0.000 1.375 263 L HN 0.610 nan 8.230 nan 0.000 0.433 264 S N 0.251 115.917 115.700 -0.057 0.000 2.387 264 S HA -0.143 4.344 4.470 0.028 0.000 0.230 264 S C 1.544 176.117 174.600 -0.044 0.000 1.035 264 S CA 1.180 59.344 58.200 -0.059 0.000 1.014 264 S CB -0.012 63.151 63.200 -0.062 0.000 0.836 264 S HN 0.799 nan 8.310 nan 0.000 0.466 265 G N 0.016 108.794 108.800 -0.037 0.000 2.813 265 G HA2 -0.170 3.807 3.960 0.028 0.000 0.194 265 G HA3 -0.170 3.807 3.960 0.028 0.000 0.194 265 G C 0.980 175.863 174.900 -0.028 0.000 1.010 265 G CA 0.563 45.644 45.100 -0.032 0.000 0.771 265 G HN 1.174 nan 8.290 nan 0.000 0.485 266 S N -0.405 115.278 115.700 -0.028 0.000 2.524 266 S HA 0.578 5.065 4.470 0.028 0.000 0.215 266 S C 0.739 175.318 174.600 -0.035 0.000 0.986 266 S CA 0.104 58.287 58.200 -0.029 0.000 0.911 266 S CB 0.583 63.767 63.200 -0.027 0.000 0.805 266 S HN 0.654 nan 8.310 nan 0.000 0.501 267 L N 2.687 123.892 121.223 -0.030 0.000 2.395 267 L HA 0.416 4.772 4.340 0.028 0.000 0.269 267 L C -0.195 176.662 176.870 -0.021 0.000 1.133 267 L CA -0.642 54.182 54.840 -0.026 0.000 0.812 267 L CB 1.113 43.157 42.059 -0.025 0.000 1.125 267 L HN 0.266 nan 8.230 nan 0.000 0.452 268 L N 7.137 128.353 121.223 -0.012 0.000 2.278 268 L HA 0.393 4.749 4.340 0.028 0.000 0.287 268 L C -2.134 174.741 176.870 0.008 0.000 1.072 268 L CA -1.651 53.189 54.840 0.000 0.000 0.819 268 L CB 0.912 42.980 42.059 0.016 0.000 1.176 268 L HN 0.531 nan 8.230 nan 0.000 0.435 269 P HA 0.073 nan 4.420 nan 0.000 0.259 269 P C 0.225 177.537 177.300 0.020 0.000 1.635 269 P CA -0.053 63.048 63.100 0.003 0.000 1.199 269 P CB 0.059 31.752 31.700 -0.012 0.000 1.850 270 G N 2.085 110.913 108.800 0.047 0.000 2.432 270 G HA2 0.016 3.992 3.960 0.028 0.000 0.239 270 G HA3 0.016 3.992 3.960 0.028 0.000 0.239 270 G C 1.062 176.004 174.900 0.070 0.000 1.291 270 G CA -0.410 44.735 45.100 0.075 0.000 0.863 270 G HN 0.355 nan 8.290 nan 0.000 0.560 271 I N 1.243 121.854 120.570 0.068 0.000 2.500 271 I HA -0.121 4.066 4.170 0.028 0.000 0.252 271 I C 2.789 178.957 176.117 0.085 0.000 1.142 271 I CA 1.058 62.382 61.300 0.040 0.000 1.451 271 I CB -0.170 37.850 38.000 0.033 0.000 1.093 271 I HN 0.491 nan 8.210 nan 0.000 0.430 272 T N 0.586 115.222 114.554 0.136 0.000 2.777 272 T HA -0.200 4.167 4.350 0.028 0.000 0.266 272 T C 1.982 176.769 174.700 0.145 0.000 1.040 272 T CA 1.245 63.421 62.100 0.128 0.000 1.141 272 T CB -0.301 68.634 68.868 0.112 0.000 0.868 272 T HN 0.329 nan 8.240 nan 0.000 0.444 273 R N 1.234 121.862 120.500 0.214 0.000 2.080 273 R HA -0.191 4.166 4.340 0.028 0.000 0.236 273 R C 2.213 178.687 176.300 0.290 0.000 1.137 273 R CA 2.336 58.655 56.100 0.365 0.000 0.943 273 R CB -0.577 29.884 30.300 0.269 0.000 0.846 273 R HN 0.388 nan 8.270 nan 0.000 0.431 274 D N -0.396 120.091 120.400 0.145 0.000 2.123 274 D HA -0.132 4.525 4.640 0.028 0.000 0.196 274 D C 1.697 178.041 176.300 0.074 0.000 0.992 274 D CA 1.978 56.032 54.000 0.091 0.000 0.833 274 D CB 0.042 40.849 40.800 0.012 0.000 0.954 274 D HN 0.221 nan 8.370 nan 0.000 0.455 275 S N -0.549 115.139 115.700 -0.020 0.000 2.368 275 S HA -0.075 4.412 4.470 0.028 0.000 0.224 275 S C 2.052 176.739 174.600 0.144 0.000 1.029 275 S CA 0.567 58.693 58.200 -0.122 0.000 0.988 275 S CB -0.282 62.730 63.200 -0.312 0.000 0.838 275 S HN 0.309 nan 8.310 nan 0.000 0.462 276 L N 1.005 122.299 121.223 0.119 0.000 2.083 276 L HA -0.074 4.282 4.340 0.028 0.000 0.209 276 L C 2.205 179.177 176.870 0.171 0.000 1.083 276 L CA 0.867 55.756 54.840 0.081 0.000 0.752 276 L CB -0.560 41.397 42.059 -0.171 0.000 0.899 276 L HN 0.287 nan 8.230 nan 0.000 0.433 277 L N -0.627 120.760 121.223 0.273 0.000 2.046 277 L HA -0.247 4.109 4.340 0.028 0.000 0.208 277 L C 2.699 179.711 176.870 0.237 0.000 1.077 277 L CA 1.123 56.145 54.840 0.303 0.000 0.747 277 L CB -0.379 41.847 42.059 0.278 0.000 0.896 277 L HN 0.289 nan 8.230 nan 0.000 0.432 278 Q N 0.377 120.315 119.800 0.230 0.000 2.079 278 Q HA -0.155 4.202 4.340 0.028 0.000 0.200 278 Q C 2.120 178.266 176.000 0.242 0.000 0.974 278 Q CA 1.654 57.580 55.803 0.205 0.000 0.840 278 Q CB -0.263 28.596 28.738 0.201 0.000 0.898 278 Q HN 0.454 nan 8.270 nan 0.000 0.430 279 L N -0.348 121.062 121.223 0.312 0.000 2.141 279 L HA -0.081 4.276 4.340 0.028 0.000 0.209 279 L C 2.331 179.329 176.870 0.213 0.000 1.094 279 L CA 0.896 55.902 54.840 0.276 0.000 0.763 279 L CB -0.687 41.551 42.059 0.298 0.000 0.908 279 L HN 0.304 nan 8.230 nan 0.000 0.437 280 A N -0.369 122.605 122.820 0.256 0.000 1.902 280 A HA -0.182 4.155 4.320 0.028 0.000 0.217 280 A C 2.349 180.074 177.584 0.235 0.000 1.181 280 A CA 2.232 54.487 52.037 0.365 0.000 0.623 280 A CB -0.806 18.424 19.000 0.384 0.000 0.818 280 A HN 0.357 nan 8.150 nan 0.000 0.443 281 T N 0.362 115.025 114.554 0.181 0.000 2.821 281 T HA -0.110 4.257 4.350 0.028 0.000 0.267 281 T C 1.402 176.130 174.700 0.045 0.000 1.046 281 T CA 1.482 63.650 62.100 0.114 0.000 1.139 281 T CB -0.385 68.552 68.868 0.115 0.000 0.871 281 T HN 0.473 nan 8.240 nan 0.000 0.454 282 D N 1.613 122.050 120.400 0.063 0.000 2.178 282 D HA 0.017 4.674 4.640 0.028 0.000 0.201 282 D C 2.087 178.329 176.300 -0.097 0.000 0.980 282 D CA 0.949 54.957 54.000 0.012 0.000 0.842 282 D CB -0.322 40.516 40.800 0.063 0.000 0.948 282 D HN 0.431 nan 8.370 nan 0.000 0.472 283 A N -0.360 122.355 122.820 -0.175 0.000 2.238 283 A HA 0.389 4.726 4.320 0.028 0.000 0.208 283 A C 1.822 179.053 177.584 -0.589 0.000 1.177 283 A CA 1.182 52.966 52.037 -0.422 0.000 0.804 283 A CB -0.178 18.462 19.000 -0.601 0.000 0.823 283 A HN 0.270 nan 8.150 nan 0.000 0.482 284 G N -2.033 106.561 108.800 -0.343 0.000 2.175 284 G HA2 -0.221 3.756 3.960 0.028 0.000 0.244 284 G HA3 -0.221 3.756 3.960 0.028 0.000 0.244 284 G C -0.068 174.753 174.900 -0.132 0.000 0.982 284 G CA 0.044 45.005 45.100 -0.233 0.000 0.641 284 G HN 0.299 nan 8.290 nan 0.000 0.527 285 F N 1.813 121.797 119.950 0.057 0.000 2.429 285 F HA 0.666 5.210 4.527 0.028 0.000 0.348 285 F C 0.993 176.837 175.800 0.073 0.000 1.109 285 F CA -0.751 57.292 58.000 0.072 0.000 1.232 285 F CB 0.854 39.910 39.000 0.093 0.000 1.157 285 F HN 0.334 nan 8.300 nan 0.000 0.564 286 A N 2.746 125.728 122.820 0.271 0.000 2.354 286 A HA 0.669 5.006 4.320 0.028 0.000 0.269 286 A C -0.442 177.240 177.584 0.162 0.000 1.109 286 A CA -0.467 51.666 52.037 0.160 0.000 0.800 286 A CB 0.400 19.461 19.000 0.102 0.000 1.045 286 A HN 0.806 nan 8.150 nan 0.000 0.489 287 V N -0.397 119.593 119.914 0.127 0.000 2.864 287 V HA 0.850 4.987 4.120 0.028 0.000 0.314 287 V C -0.603 175.523 176.094 0.054 0.000 1.073 287 V CA -0.739 61.637 62.300 0.126 0.000 0.956 287 V CB 1.753 33.679 31.823 0.173 0.000 1.023 287 V HN 0.900 nan 8.190 nan 0.000 0.435 288 E N 1.057 121.273 120.200 0.027 0.000 2.278 288 E HA 0.426 4.792 4.350 0.028 0.000 0.272 288 E C -1.432 175.137 176.600 -0.052 0.000 0.890 288 E CA -0.483 55.896 56.400 -0.034 0.000 0.770 288 E CB 2.636 32.276 29.700 -0.099 0.000 1.212 288 E HN 0.853 nan 8.360 nan 0.000 0.415 289 E N 3.913 124.078 120.200 -0.058 0.000 2.173 289 E HA 0.243 4.609 4.350 0.028 0.000 0.249 289 E C -0.352 176.190 176.600 -0.096 0.000 0.923 289 E CA -0.283 56.068 56.400 -0.081 0.000 0.754 289 E CB 0.828 30.493 29.700 -0.059 0.000 1.177 289 E HN 0.403 nan 8.360 nan 0.000 0.430 290 R N 0.621 121.050 120.500 -0.119 0.000 2.962 290 R HA 0.509 4.866 4.340 0.028 0.000 0.256 290 R C -0.811 175.396 176.300 -0.155 0.000 1.199 290 R CA -1.087 54.933 56.100 -0.133 0.000 1.012 290 R CB 1.205 31.428 30.300 -0.129 0.000 1.289 290 R HN -0.073 nan 8.270 nan 0.000 0.462 291 K N 0.473 120.761 120.400 -0.186 0.000 2.144 291 K HA 0.472 4.808 4.320 0.028 0.000 0.270 291 K C -0.721 175.825 176.600 -0.090 0.000 1.005 291 K CA -0.510 55.646 56.287 -0.218 0.000 0.932 291 K CB 1.301 33.486 32.500 -0.526 0.000 1.021 291 K HN 0.490 nan 8.250 nan 0.000 0.462 292 I N 2.301 122.875 120.570 0.007 0.000 2.586 292 I HA 0.135 4.322 4.170 0.028 0.000 0.288 292 I C -1.528 174.631 176.117 0.070 0.000 1.147 292 I CA -0.667 60.604 61.300 -0.049 0.000 1.047 292 I CB 1.559 39.317 38.000 -0.402 0.000 1.244 292 I HN 0.722 nan 8.210 nan 0.000 0.429 293 D N 5.860 126.299 120.400 0.065 0.000 2.387 293 D HA 0.273 4.930 4.640 0.028 0.000 0.255 293 D C 0.964 177.273 176.300 0.015 0.000 1.081 293 D CA -0.645 53.326 54.000 -0.048 0.000 0.994 293 D CB 1.361 41.996 40.800 -0.275 0.000 1.127 293 D HN 0.221 nan 8.370 nan 0.000 0.513 294 V N 0.494 120.409 119.914 0.001 0.000 2.332 294 V HA -0.247 3.890 4.120 0.028 0.000 0.248 294 V C 1.667 177.730 176.094 -0.052 0.000 1.055 294 V CA 2.126 64.433 62.300 0.011 0.000 1.038 294 V CB -0.673 31.019 31.823 -0.219 0.000 0.651 294 V HN 0.575 nan 8.190 nan 0.000 0.450 295 D N -0.152 120.201 120.400 -0.078 0.000 2.092 295 D HA -0.228 4.429 4.640 0.028 0.000 0.193 295 D C 2.200 178.468 176.300 -0.054 0.000 0.994 295 D CA 1.866 55.821 54.000 -0.075 0.000 0.828 295 D CB -0.174 40.589 40.800 -0.062 0.000 0.963 295 D HN 0.637 nan 8.370 nan 0.000 0.450 296 E N -0.315 119.876 120.200 -0.014 0.000 2.077 296 E HA -0.190 4.176 4.350 0.028 0.000 0.193 296 E C 2.068 178.697 176.600 0.048 0.000 0.989 296 E CA 0.771 57.177 56.400 0.010 0.000 0.800 296 E CB -0.133 29.577 29.700 0.017 0.000 0.746 296 E HN 0.246 nan 8.360 nan 0.000 0.452 297 W N 2.100 123.301 121.300 -0.166 0.000 2.315 297 W HA -0.258 4.418 4.660 0.027 0.000 0.323 297 W C 2.270 178.614 176.519 -0.291 0.000 1.233 297 W CA 2.099 59.363 57.345 -0.135 0.000 1.267 297 W CB -1.059 28.403 29.460 0.004 0.000 1.160 297 W HN 0.217 nan 8.180 nan 0.000 0.474 298 Q N 0.335 119.891 119.800 -0.408 0.000 2.050 298 Q HA -0.247 4.109 4.340 0.028 0.000 0.202 298 Q C 2.478 178.130 176.000 -0.580 0.000 0.980 298 Q CA 2.342 57.461 55.803 -1.140 0.000 0.840 298 Q CB -0.424 27.743 28.738 -0.952 0.000 0.898 298 Q HN 0.270 nan 8.270 nan 0.000 0.424 299 K N 0.298 120.530 120.400 -0.280 0.000 2.002 299 K HA -0.180 4.157 4.320 0.028 0.000 0.209 299 K C 1.949 178.484 176.600 -0.108 0.000 1.048 299 K CA 1.658 57.850 56.287 -0.158 0.000 0.930 299 K CB 0.038 32.487 32.500 -0.085 0.000 0.714 299 K HN 0.083 nan 8.250 nan 0.000 0.438 300 K N -0.164 120.197 120.400 -0.065 0.000 2.148 300 K HA -0.068 4.268 4.320 0.028 0.000 0.204 300 K C 2.086 178.654 176.600 -0.053 0.000 1.050 300 K CA 0.981 57.246 56.287 -0.038 0.000 0.942 300 K CB -0.021 32.469 32.500 -0.018 0.000 0.724 300 K HN 0.208 nan 8.250 nan 0.000 0.446 301 A N 1.204 124.001 122.820 -0.039 0.000 1.968 301 A HA -0.031 4.306 4.320 0.028 0.000 0.217 301 A C 2.357 179.941 177.584 -0.000 0.000 1.169 301 A CA 1.650 53.710 52.037 0.040 0.000 0.638 301 A CB -0.780 18.336 19.000 0.194 0.000 0.812 301 A HN 0.395 nan 8.150 nan 0.000 0.446 302 G N -0.694 108.052 108.800 -0.090 0.000 2.403 302 G HA2 0.141 4.117 3.960 0.028 0.000 0.216 302 G HA3 0.141 4.117 3.960 0.028 0.000 0.216 302 G C 1.506 176.392 174.900 -0.022 0.000 1.154 302 G CA 0.937 46.004 45.100 -0.055 0.000 0.784 302 G HN 0.757 nan 8.290 nan 0.000 0.538 303 A N -0.195 122.608 122.820 -0.028 0.000 2.235 303 A HA 0.435 4.772 4.320 0.028 0.000 0.208 303 A C 2.121 179.708 177.584 0.006 0.000 1.172 303 A CA 1.372 53.404 52.037 -0.007 0.000 0.786 303 A CB -0.551 18.446 19.000 -0.004 0.000 0.804 303 A HN 1.559 nan 8.150 nan 0.000 0.479 304 G N -0.647 108.157 108.800 0.006 0.000 2.179 304 G HA2 -0.366 3.611 3.960 0.028 0.000 0.260 304 G HA3 -0.366 3.611 3.960 0.028 0.000 0.260 304 G C 0.812 175.715 174.900 0.005 0.000 0.977 304 G CA 0.980 46.088 45.100 0.015 0.000 0.641 304 G HN 0.621 nan 8.290 nan 0.000 0.533 305 E N -0.227 119.968 120.200 -0.009 0.000 2.028 305 E HA 0.080 4.446 4.350 0.028 0.000 0.191 305 E C 1.199 177.715 176.600 -0.140 0.000 0.988 305 E CA 0.452 56.847 56.400 -0.010 0.000 0.799 305 E CB -0.054 29.671 29.700 0.041 0.000 0.755 305 E HN 0.600 nan 8.360 nan 0.000 0.447 306 I N 2.133 122.545 120.570 -0.262 0.000 2.347 306 I HA -0.020 4.167 4.170 0.028 0.000 0.294 306 I C 1.183 177.243 176.117 -0.095 0.000 1.090 306 I CA -0.004 61.064 61.300 -0.388 0.000 1.314 306 I CB 1.257 39.067 38.000 -0.317 0.000 1.423 306 I HN 0.249 nan 8.210 nan 0.000 0.503 307 T N 1.718 116.238 114.554 -0.056 0.000 3.051 307 T HA 0.213 4.580 4.350 0.028 0.000 0.255 307 T C 0.490 175.223 174.700 0.054 0.000 1.085 307 T CA 0.196 62.307 62.100 0.018 0.000 1.109 307 T CB 0.154 69.035 68.868 0.022 0.000 0.921 307 T HN 0.593 nan 8.240 nan 0.000 0.488 308 E N -0.243 119.995 120.200 0.063 0.000 2.412 308 E HA 0.666 5.033 4.350 0.028 0.000 0.279 308 E C -1.964 174.695 176.600 0.099 0.000 0.984 308 E CA -1.130 55.332 56.400 0.103 0.000 0.788 308 E CB 2.795 32.565 29.700 0.115 0.000 1.277 308 E HN -0.009 nan 8.360 nan 0.000 0.455 309 V N 1.715 121.689 119.914 0.101 0.000 2.851 309 V HA 0.649 4.786 4.120 0.028 0.000 0.307 309 V C -1.337 174.792 176.094 0.059 0.000 1.129 309 V CA -0.886 61.365 62.300 -0.083 0.000 0.932 309 V CB 1.347 33.122 31.823 -0.081 0.000 1.024 309 V HN 0.703 nan 8.190 nan 0.000 0.426 310 F N 1.843 121.720 119.950 -0.123 0.000 2.668 310 F HA 1.002 5.546 4.527 0.028 0.000 0.309 310 F C -0.359 175.431 175.800 -0.017 0.000 1.117 310 F CA -1.068 56.903 58.000 -0.048 0.000 0.951 310 F CB 1.426 40.401 39.000 -0.041 0.000 1.323 310 F HN 0.663 nan 8.300 nan 0.000 0.451 311 A N 0.724 123.680 122.820 0.226 0.000 2.311 311 A HA 0.893 5.230 4.320 0.028 0.000 0.334 311 A C -0.735 177.025 177.584 0.294 0.000 1.139 311 A CA -0.248 51.886 52.037 0.162 0.000 0.830 311 A CB 0.944 20.018 19.000 0.124 0.000 1.234 311 A HN 1.751 nan 8.150 nan 0.000 0.483 312 C N -0.643 118.805 119.300 0.246 0.000 2.888 312 C HA 1.048 5.525 4.460 0.028 0.000 0.308 312 C C 0.085 175.167 174.990 0.152 0.000 1.213 312 C CA 0.062 59.212 59.018 0.218 0.000 1.461 312 C CB 0.959 28.868 27.740 0.281 0.000 1.934 312 C HN 2.053 nan 8.230 nan 0.000 0.474 313 G N 1.046 109.903 108.800 0.095 0.000 2.489 313 G HA2 0.496 4.472 3.960 0.028 0.000 0.291 313 G HA3 0.496 4.472 3.960 0.028 0.000 0.291 313 G C -0.039 174.897 174.900 0.059 0.000 1.487 313 G CA 0.295 45.451 45.100 0.093 0.000 0.795 313 G HN 0.793 nan 8.290 nan 0.000 0.513 314 T N 1.008 115.636 114.554 0.124 0.000 2.635 314 T HA -0.110 4.256 4.350 0.028 0.000 0.267 314 T C 2.823 177.580 174.700 0.095 0.000 1.040 314 T CA 3.013 65.211 62.100 0.163 0.000 1.156 314 T CB -0.493 68.554 68.868 0.298 0.000 0.863 314 T HN 1.014 nan 8.240 nan 0.000 0.430 315 A N 1.345 124.175 122.820 0.016 0.000 1.859 315 A HA 0.071 4.408 4.320 0.028 0.000 0.217 315 A C 2.457 179.748 177.584 -0.489 0.000 1.198 315 A CA 2.152 54.053 52.037 -0.227 0.000 0.629 315 A CB -1.026 17.686 19.000 -0.480 0.000 0.830 315 A HN 0.553 nan 8.150 nan 0.000 0.446 316 A N -2.508 119.890 122.820 -0.702 0.000 2.267 316 A HA 0.458 4.795 4.320 0.028 0.000 0.213 316 A C 1.458 178.826 177.584 -0.359 0.000 1.192 316 A CA 1.031 52.430 52.037 -1.064 0.000 0.851 316 A CB -0.218 17.974 19.000 -1.346 0.000 0.881 316 A HN 1.067 nan 8.150 nan 0.000 0.494 317 V N -1.769 118.041 119.914 -0.175 0.000 0.635 317 V HA -0.336 3.801 4.120 0.028 0.000 0.092 317 V C 0.510 176.596 176.094 -0.014 0.000 1.463 317 V CA 2.158 64.421 62.300 -0.062 0.000 3.271 317 V CB -1.386 30.413 31.823 -0.041 0.000 0.530 317 V HN 0.533 nan 8.190 nan 0.000 0.535 318 I N 0.002 120.580 120.570 0.014 0.000 2.607 318 I HA 0.541 4.727 4.170 0.028 0.000 0.290 318 I C -0.678 175.519 176.117 0.133 0.000 1.129 318 I CA -0.123 61.206 61.300 0.047 0.000 1.042 318 I CB 2.252 40.163 38.000 -0.148 0.000 1.242 318 I HN 0.333 nan 8.210 nan 0.000 0.421 319 T N 6.474 121.143 114.554 0.192 0.000 2.809 319 T HA 0.408 4.775 4.350 0.028 0.000 0.284 319 T C -2.651 172.161 174.700 0.187 0.000 0.992 319 T CA -1.395 60.848 62.100 0.238 0.000 0.957 319 T CB 1.887 70.922 68.868 0.278 0.000 0.942 319 T HN 0.176 nan 8.240 nan 0.000 0.439 320 P HA 0.311 nan 4.420 nan 0.000 0.271 320 P C -0.959 176.413 177.300 0.120 0.000 1.218 320 P CA -0.470 62.693 63.100 0.106 0.000 0.780 320 P CB 0.633 32.338 31.700 0.008 0.000 0.901 321 V N 2.559 122.550 119.914 0.128 0.000 2.378 321 V HA 0.187 4.324 4.120 0.028 0.000 0.288 321 V C 1.011 177.174 176.094 0.116 0.000 1.016 321 V CA 0.170 62.543 62.300 0.121 0.000 0.840 321 V CB 1.090 32.989 31.823 0.126 0.000 0.994 321 V HN 0.694 nan 8.190 nan 0.000 0.431 322 S N 2.568 118.328 115.700 0.100 0.000 2.505 322 S HA 0.234 4.721 4.470 0.028 0.000 0.216 322 S C 0.307 174.967 174.600 0.099 0.000 1.018 322 S CA 0.061 58.319 58.200 0.096 0.000 0.911 322 S CB 0.096 63.343 63.200 0.079 0.000 0.818 322 S HN 0.763 nan 8.310 nan 0.000 0.497 323 H N 0.081 119.110 119.070 -0.068 0.000 2.679 323 H HA 0.735 5.307 4.556 0.027 0.000 0.360 323 H C -1.695 173.459 175.328 -0.291 0.000 1.105 323 H CA -0.503 55.440 56.048 -0.175 0.000 1.196 323 H CB 2.069 31.768 29.762 -0.104 0.000 1.636 323 H HN 0.069 nan 8.280 nan 0.000 0.531 324 V N 4.802 124.084 119.914 -1.053 0.000 2.588 324 V HA 0.417 4.554 4.120 0.028 0.000 0.304 324 V C -0.529 175.079 176.094 -0.810 0.000 1.042 324 V CA -0.901 60.802 62.300 -0.995 0.000 0.877 324 V CB 1.711 32.496 31.823 -1.730 0.000 0.996 324 V HN 0.717 nan 8.190 nan 0.000 0.425 325 K N 3.573 123.790 120.400 -0.305 0.000 2.427 325 K HA 0.760 5.097 4.320 0.028 0.000 0.252 325 K C -1.162 175.452 176.600 0.023 0.000 0.931 325 K CA -0.586 55.689 56.287 -0.021 0.000 0.793 325 K CB 2.036 34.674 32.500 0.231 0.000 1.211 325 K HN 1.096 nan 8.250 nan 0.000 0.426 326 H N -1.157 117.819 119.070 -0.157 0.000 2.942 326 H HA 0.225 4.797 4.556 0.027 0.000 0.316 326 H C 0.634 175.847 175.328 -0.191 0.000 1.323 326 H CA -0.910 54.824 56.048 -0.524 0.000 1.144 326 H CB 0.735 30.274 29.762 -0.371 0.000 1.866 326 H HN 0.597 nan 8.280 nan 0.000 0.545 327 H N -0.034 118.866 119.070 -0.284 0.000 2.426 327 H HA -0.129 4.444 4.556 0.028 0.000 0.298 327 H C -0.304 174.915 175.328 -0.183 0.000 1.107 327 H CA 2.317 58.280 56.048 -0.142 0.000 1.298 327 H CB 0.121 29.686 29.762 -0.327 0.000 1.377 327 H HN 0.789 nan 8.280 nan 0.000 0.519 328 D N -0.748 119.507 120.400 -0.243 0.000 2.538 328 D HA 0.338 4.995 4.640 0.028 0.000 0.231 328 D C 0.184 176.204 176.300 -0.468 0.000 1.229 328 D CA 0.392 54.239 54.000 -0.256 0.000 0.828 328 D CB 1.380 42.224 40.800 0.073 0.000 1.035 328 D HN 0.481 nan 8.370 nan 0.000 0.495 329 G N 0.322 108.551 108.800 -0.951 0.000 2.315 329 G HA2 0.390 4.367 3.960 0.028 0.000 0.294 329 G HA3 0.390 4.367 3.960 0.028 0.000 0.294 329 G C -1.919 172.755 174.900 -0.377 0.000 1.300 329 G CA -0.831 43.944 45.100 -0.542 0.000 0.843 329 G HN 0.029 nan 8.290 nan 0.000 0.527 330 E N -1.142 119.042 120.200 -0.026 0.000 2.381 330 E HA 0.638 5.004 4.350 0.028 0.000 0.286 330 E C -1.638 175.021 176.600 0.098 0.000 0.960 330 E CA -0.936 55.446 56.400 -0.030 0.000 0.793 330 E CB 1.883 31.561 29.700 -0.036 0.000 1.225 330 E HN 1.187 nan 8.360 nan 0.000 0.420 331 F N -0.663 119.098 119.950 -0.314 0.000 2.741 331 F HA 0.628 5.171 4.527 0.027 0.000 0.311 331 F C -1.238 174.381 175.800 -0.300 0.000 1.149 331 F CA -0.827 57.039 58.000 -0.224 0.000 0.930 331 F CB 1.373 40.273 39.000 -0.168 0.000 1.312 331 F HN 0.153 nan 8.300 nan 0.000 0.450 332 T N 2.166 116.752 114.554 0.054 0.000 2.925 332 T HA 0.663 5.029 4.350 0.028 0.000 0.285 332 T C -0.663 174.130 174.700 0.155 0.000 1.021 332 T CA -0.391 61.761 62.100 0.086 0.000 1.042 332 T CB 1.603 70.598 68.868 0.212 0.000 1.037 332 T HN 0.482 nan 8.240 nan 0.000 0.481 333 I N 2.955 123.600 120.570 0.125 0.000 2.312 333 I HA 0.488 4.675 4.170 0.028 0.000 0.291 333 I C 1.012 177.205 176.117 0.127 0.000 1.031 333 I CA 0.303 61.708 61.300 0.175 0.000 1.293 333 I CB -0.198 37.915 38.000 0.189 0.000 1.403 333 I HN 0.999 nan 8.210 nan 0.000 0.484 334 A N 5.819 128.709 122.820 0.116 0.000 5.391 334 A HA -0.329 4.008 4.320 0.028 0.000 0.315 334 A C 1.281 178.908 177.584 0.071 0.000 1.874 334 A CA 1.605 53.690 52.037 0.080 0.000 0.714 334 A CB -1.554 17.486 19.000 0.066 0.000 1.335 334 A HN 0.844 nan 8.150 nan 0.000 0.382 335 D N 0.542 120.975 120.400 0.055 0.000 2.328 335 D HA 0.396 5.052 4.640 0.028 0.000 0.221 335 D C 1.305 177.631 176.300 0.043 0.000 1.072 335 D CA 1.352 55.379 54.000 0.044 0.000 0.850 335 D CB -0.491 40.327 40.800 0.030 0.000 0.922 335 D HN 2.317 nan 8.370 nan 0.000 0.516 336 G N -0.224 108.610 108.800 0.057 0.000 2.162 336 G HA2 -0.267 3.709 3.960 0.028 0.000 0.260 336 G HA3 -0.267 3.709 3.960 0.028 0.000 0.260 336 G C 0.131 175.051 174.900 0.034 0.000 0.976 336 G CA 0.122 45.254 45.100 0.054 0.000 0.655 336 G HN 0.397 nan 8.290 nan 0.000 0.533 337 Q N -0.175 119.641 119.800 0.027 0.000 2.240 337 Q HA 0.541 4.898 4.340 0.028 0.000 0.260 337 Q C -2.512 173.492 176.000 0.007 0.000 1.018 337 Q CA -1.993 53.816 55.803 0.009 0.000 0.898 337 Q CB 0.696 29.435 28.738 0.002 0.000 1.301 337 Q HN 0.141 nan 8.270 nan 0.000 0.469 338 P HA 0.063 nan 4.420 nan 0.000 0.264 338 P C -0.154 177.133 177.300 -0.022 0.000 1.193 338 P CA 0.273 63.353 63.100 -0.033 0.000 0.763 338 P CB 0.343 31.993 31.700 -0.083 0.000 0.810 339 G N 2.246 111.041 108.800 -0.007 0.000 2.606 339 G HA2 0.014 3.991 3.960 0.028 0.000 0.252 339 G HA3 0.014 3.991 3.960 0.028 0.000 0.252 339 G C 0.678 175.559 174.900 -0.031 0.000 1.206 339 G CA -0.365 44.734 45.100 -0.002 0.000 0.861 339 G HN 0.479 nan 8.290 nan 0.000 0.561 340 E N -0.113 120.075 120.200 -0.019 0.000 2.038 340 E HA -0.168 4.199 4.350 0.028 0.000 0.195 340 E C 2.461 179.037 176.600 -0.041 0.000 1.000 340 E CA 0.903 57.291 56.400 -0.020 0.000 0.803 340 E CB -0.071 29.630 29.700 0.002 0.000 0.750 340 E HN 0.397 nan 8.360 nan 0.000 0.448 341 I N 1.270 121.803 120.570 -0.062 0.000 2.226 341 I HA -0.219 3.968 4.170 0.028 0.000 0.245 341 I C 2.327 178.336 176.117 -0.180 0.000 1.100 341 I CA 1.406 62.635 61.300 -0.118 0.000 1.374 341 I CB -1.621 36.259 38.000 -0.199 0.000 1.057 341 I HN 0.134 nan 8.210 nan 0.000 0.413 342 T N 1.308 115.737 114.554 -0.209 0.000 2.652 342 T HA -0.186 4.181 4.350 0.028 0.000 0.267 342 T C 1.934 176.413 174.700 -0.368 0.000 1.039 342 T CA 1.461 63.290 62.100 -0.451 0.000 1.153 342 T CB -0.123 68.587 68.868 -0.262 0.000 0.863 342 T HN 0.130 nan 8.240 nan 0.000 0.428 343 M N 0.909 120.389 119.600 -0.200 0.000 2.254 343 M HA 0.177 4.674 4.480 0.028 0.000 0.265 343 M C 2.753 178.996 176.300 -0.094 0.000 1.066 343 M CA 0.871 56.085 55.300 -0.144 0.000 1.123 343 M CB -1.645 30.898 32.600 -0.094 0.000 1.388 343 M HN 0.301 nan 8.290 nan 0.000 0.425 344 A N 0.678 123.458 122.820 -0.066 0.000 1.858 344 A HA -0.122 4.214 4.320 0.028 0.000 0.216 344 A C 2.329 179.913 177.584 -0.001 0.000 1.190 344 A CA 1.383 53.419 52.037 -0.001 0.000 0.617 344 A CB -0.963 18.070 19.000 0.056 0.000 0.827 344 A HN 0.459 nan 8.150 nan 0.000 0.443 345 L N -1.239 119.947 121.223 -0.061 0.000 2.083 345 L HA -0.159 4.197 4.340 0.028 0.000 0.209 345 L C 2.809 179.626 176.870 -0.089 0.000 1.083 345 L CA 1.667 56.467 54.840 -0.067 0.000 0.752 345 L CB -0.453 41.496 42.059 -0.183 0.000 0.899 345 L HN 0.460 nan 8.230 nan 0.000 0.433 346 R N 0.202 120.606 120.500 -0.160 0.000 2.075 346 R HA -0.167 4.190 4.340 0.028 0.000 0.232 346 R C 1.860 178.150 176.300 -0.017 0.000 1.126 346 R CA 1.737 57.768 56.100 -0.115 0.000 0.963 346 R CB -0.076 30.136 30.300 -0.146 0.000 0.858 346 R HN 0.309 nan 8.270 nan 0.000 0.435 347 D N -0.488 119.923 120.400 0.018 0.000 2.117 347 D HA -0.114 4.543 4.640 0.028 0.000 0.197 347 D C 1.732 178.172 176.300 0.233 0.000 0.987 347 D CA 1.631 55.689 54.000 0.097 0.000 0.829 347 D CB -0.354 40.516 40.800 0.116 0.000 0.961 347 D HN 0.251 nan 8.370 nan 0.000 0.460 348 T N 1.338 116.030 114.554 0.230 0.000 2.708 348 T HA -0.134 4.233 4.350 0.028 0.000 0.266 348 T C 1.906 176.785 174.700 0.297 0.000 1.037 348 T CA 0.585 62.877 62.100 0.321 0.000 1.146 348 T CB -0.326 68.623 68.868 0.135 0.000 0.865 348 T HN 0.027 nan 8.240 nan 0.000 0.435 349 L N 1.729 123.044 121.223 0.154 0.000 2.027 349 L HA -0.078 4.278 4.340 0.028 0.000 0.206 349 L C 2.757 179.635 176.870 0.013 0.000 1.074 349 L CA 2.385 57.285 54.840 0.100 0.000 0.745 349 L CB -1.420 40.636 42.059 -0.005 0.000 0.898 349 L HN 0.447 nan 8.230 nan 0.000 0.433 350 T N -3.579 110.967 114.554 -0.013 0.000 2.833 350 T HA -0.083 4.284 4.350 0.028 0.000 0.269 350 T C 1.984 176.625 174.700 -0.098 0.000 1.054 350 T CA 0.932 62.998 62.100 -0.056 0.000 1.135 350 T CB -1.470 67.387 68.868 -0.018 0.000 0.869 350 T HN 0.397 nan 8.240 nan 0.000 0.466 351 G N 1.469 110.203 108.800 -0.110 0.000 2.418 351 G HA2 -0.056 3.920 3.960 0.028 0.000 0.217 351 G HA3 -0.056 3.920 3.960 0.028 0.000 0.217 351 G C 1.544 176.297 174.900 -0.246 0.000 1.158 351 G CA 0.783 45.614 45.100 -0.449 0.000 0.771 351 G HN 0.573 nan 8.290 nan 0.000 0.545 352 I N 0.287 120.900 120.570 0.072 0.000 2.202 352 I HA -0.201 3.986 4.170 0.028 0.000 0.242 352 I C 3.015 179.229 176.117 0.161 0.000 1.091 352 I CA 1.172 62.579 61.300 0.178 0.000 1.368 352 I CB -0.281 37.931 38.000 0.353 0.000 1.058 352 I HN 0.234 nan 8.210 nan 0.000 0.410 353 Q N 0.389 120.209 119.800 0.033 0.000 2.170 353 Q HA -0.172 4.185 4.340 0.028 0.000 0.203 353 Q C 2.106 178.064 176.000 -0.070 0.000 0.976 353 Q CA 1.196 56.910 55.803 -0.149 0.000 0.858 353 Q CB -0.130 28.292 28.738 -0.527 0.000 0.907 353 Q HN 0.471 nan 8.270 nan 0.000 0.433 354 R N -0.820 119.638 120.500 -0.070 0.000 2.297 354 R HA 0.068 4.425 4.340 0.028 0.000 0.197 354 R C 1.079 177.112 176.300 -0.445 0.000 0.943 354 R CA 0.570 56.640 56.100 -0.050 0.000 1.038 354 R CB 0.437 30.657 30.300 -0.132 0.000 0.957 354 R HN 0.378 nan 8.270 nan 0.000 0.484 355 G N 0.507 108.973 108.800 -0.556 0.000 2.157 355 G HA2 -0.341 3.636 3.960 0.028 0.000 0.248 355 G HA3 -0.341 3.636 3.960 0.028 0.000 0.248 355 G C 0.983 175.461 174.900 -0.704 0.000 0.979 355 G CA 0.778 45.148 45.100 -1.217 0.000 0.650 355 G HN 0.455 nan 8.290 nan 0.000 0.529 356 T N -2.151 112.080 114.554 -0.538 0.000 2.857 356 T HA 0.366 4.732 4.350 0.028 0.000 0.266 356 T C 1.130 175.644 174.700 -0.311 0.000 1.048 356 T CA 0.899 62.696 62.100 -0.505 0.000 1.139 356 T CB -0.088 68.335 68.868 -0.740 0.000 0.874 356 T HN 0.435 nan 8.240 nan 0.000 0.455 357 F N 1.316 121.187 119.950 -0.131 0.000 2.483 357 F HA 0.690 5.233 4.527 0.027 0.000 0.329 357 F C 0.829 176.580 175.800 -0.083 0.000 1.064 357 F CA -1.797 56.151 58.000 -0.086 0.000 0.986 357 F CB 1.245 40.219 39.000 -0.044 0.000 1.218 357 F HN 0.107 nan 8.300 nan 0.000 0.484 358 A N 1.173 124.076 122.820 0.138 0.000 2.511 358 A HA 0.045 4.382 4.320 0.028 0.000 0.242 358 A C -0.319 177.280 177.584 0.024 0.000 1.069 358 A CA -0.165 51.892 52.037 0.033 0.000 0.763 358 A CB -0.094 18.892 19.000 -0.023 0.000 1.001 358 A HN 0.697 nan 8.150 nan 0.000 0.498 359 D N 2.355 122.771 120.400 0.026 0.000 2.639 359 D HA 0.166 4.823 4.640 0.028 0.000 0.233 359 D C 1.618 177.833 176.300 -0.143 0.000 1.161 359 D CA 0.513 54.521 54.000 0.012 0.000 1.003 359 D CB -0.072 40.826 40.800 0.163 0.000 1.034 359 D HN 0.553 nan 8.370 nan 0.000 0.514 360 T N -0.882 113.494 114.554 -0.297 0.000 2.881 360 T HA -0.199 4.167 4.350 0.028 0.000 0.270 360 T C 1.294 175.669 174.700 -0.541 0.000 1.068 360 T CA 1.029 62.877 62.100 -0.419 0.000 1.131 360 T CB -0.258 68.291 68.868 -0.532 0.000 0.871 360 T HN 0.377 nan 8.240 nan 0.000 0.479 361 H N 1.011 119.793 119.070 -0.479 0.000 2.539 361 H HA 0.366 4.938 4.556 0.028 0.000 0.269 361 H C 1.862 176.956 175.328 -0.390 0.000 0.980 361 H CA 0.099 55.795 56.048 -0.588 0.000 1.152 361 H CB -0.193 28.798 29.762 -1.286 0.000 1.407 361 H HN 0.604 nan 8.280 nan 0.000 0.564 362 G N 1.272 109.984 108.800 -0.148 0.000 2.295 362 G HA2 -0.245 3.732 3.960 0.028 0.000 0.287 362 G HA3 -0.245 3.732 3.960 0.028 0.000 0.287 362 G C 0.579 175.573 174.900 0.156 0.000 1.055 362 G CA 0.402 45.515 45.100 0.021 0.000 0.922 362 G HN 0.412 nan 8.290 nan 0.000 0.503 363 W N -0.889 120.467 121.300 0.093 0.000 2.523 363 W HA 0.328 5.005 4.660 0.029 0.000 0.278 363 W C 1.419 177.922 176.519 -0.027 0.000 1.236 363 W CA 0.168 57.496 57.345 -0.029 0.000 1.306 363 W CB -0.323 29.111 29.460 -0.044 0.000 1.101 363 W HN 0.252 nan 8.180 nan 0.000 0.577 364 M N 0.692 120.488 119.600 0.327 0.000 2.162 364 M HA 0.379 4.876 4.480 0.028 0.000 0.356 364 M C 0.146 176.491 176.300 0.074 0.000 1.303 364 M CA -0.647 54.779 55.300 0.210 0.000 1.116 364 M CB 0.039 32.801 32.600 0.269 0.000 1.632 364 M HN -0.167 nan 8.290 nan 0.000 0.469 365 A N 4.743 127.572 122.820 0.015 0.000 2.342 365 A HA 0.777 5.113 4.320 0.028 0.000 0.323 365 A C -0.113 177.425 177.584 -0.077 0.000 1.125 365 A CA -0.900 51.129 52.037 -0.013 0.000 0.785 365 A CB 1.286 20.295 19.000 0.016 0.000 1.221 365 A HN 0.693 nan 8.150 nan 0.000 0.463 366 R N 1.899 122.351 120.500 -0.080 0.000 2.438 366 R HA 0.344 4.701 4.340 0.028 0.000 0.287 366 R C 0.124 176.383 176.300 -0.068 0.000 1.077 366 R CA -0.085 55.954 56.100 -0.102 0.000 1.034 366 R CB 0.627 30.886 30.300 -0.069 0.000 0.993 366 R HN 0.820 nan 8.270 nan 0.000 0.459 367 L N 1.481 122.659 121.223 -0.076 0.000 2.586 367 L HA 0.127 4.484 4.340 0.028 0.000 0.204 367 L C 0.505 177.341 176.870 -0.058 0.000 1.053 367 L CA -0.108 54.695 54.840 -0.061 0.000 0.856 367 L CB -0.131 41.894 42.059 -0.057 0.000 1.192 367 L HN 0.759 nan 8.230 nan 0.000 0.484 368 N N 0.000 118.669 118.700 -0.051 0.000 1.763 368 N HA 0.000 4.757 4.740 0.028 0.000 0.220 368 N CA 0.000 53.029 53.050 -0.035 0.000 0.885 368 N CB 0.000 38.470 38.487 -0.028 0.000 1.341 368 N HN 0.000 nan 8.380 nan 0.000 0.667