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 2gd6_1_C DATA FIRST_RESID 2 DATA SEQUENCE AGPLSGLRVV ELAGIGPGPH AAMILGDLGA DVVRIDRPXX XXXISRDAML DATA SEQUENCE RNRRIVTADL KSDQGLELAL KLIAKADVLI EGYRPGVTER LGLGPEECAK DATA SEQUENCE VNDRLIYARM TGWGQTGPRS QQAGHDINYI SLNGILHAIG RGDERPVPPL DATA SEQUENCE NLVGDFGGGS MFLLVGILAA LWERQSSGKG QVVDAAMVDG SSVLIQMMWA DATA SEQUENCE MRATGMWTDT RGANMLDGGA PYYDTYECAD GRYVAVGAIE PQFYAAMLAG DATA SEQUENCE LGLDAAELPP QNDRARWPEL RALLTEAFAS HDRDHWGAVF ANSDACVTPV DATA SEQUENCE LAFGEVHNEP HIIERNTFYE ANGGWQPMPA PRFSRTASSQ PRPPAATIDI DATA SEQUENCE EAVLTDWDG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.539 177.584 -0.075 0.000 1.274 2 A CA 0.000 52.006 52.037 -0.052 0.000 0.836 2 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 3 G N 0.326 109.064 108.800 -0.104 0.000 2.553 3 G HA2 0.450 4.410 3.960 -0.000 0.000 0.278 3 G HA3 0.450 4.410 3.960 -0.000 0.000 0.278 3 G C -0.892 173.842 174.900 -0.277 0.000 1.349 3 G CA -0.115 44.870 45.100 -0.193 0.000 1.037 3 G HN 0.105 nan 8.290 nan 0.000 0.508 4 P HA -0.008 nan 4.420 nan 0.000 0.223 4 P C 1.294 178.441 177.300 -0.255 0.000 1.151 4 P CA 0.847 63.689 63.100 -0.430 0.000 0.787 4 P CB 0.194 31.455 31.700 -0.732 0.000 0.788 5 L N -0.482 120.606 121.223 -0.225 0.000 2.653 5 L HA 0.158 4.498 4.340 -0.000 0.000 0.231 5 L C 1.182 177.992 176.870 -0.100 0.000 1.153 5 L CA -0.232 54.526 54.840 -0.136 0.000 0.933 5 L CB -0.381 41.612 42.059 -0.110 0.000 1.175 5 L HN -0.077 nan 8.230 nan 0.000 0.473 6 S N 0.658 116.297 115.700 -0.103 0.000 2.596 6 S HA 0.247 4.717 4.470 -0.000 0.000 0.298 6 S C 1.268 175.827 174.600 -0.068 0.000 1.255 6 S CA 0.900 59.056 58.200 -0.073 0.000 1.083 6 S CB 0.372 63.531 63.200 -0.069 0.000 0.837 6 S HN 0.671 nan 8.310 nan 0.000 0.499 7 G N 3.122 111.885 108.800 -0.061 0.000 2.278 7 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.210 7 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.210 7 G C -0.104 174.732 174.900 -0.105 0.000 1.000 7 G CA -0.073 44.980 45.100 -0.077 0.000 0.635 7 G HN 1.020 nan 8.290 nan 0.000 0.495 8 L N 2.343 123.512 121.223 -0.089 0.000 2.360 8 L HA 0.706 5.046 4.340 -0.000 0.000 0.276 8 L C 0.609 177.415 176.870 -0.108 0.000 1.121 8 L CA -0.300 54.481 54.840 -0.099 0.000 0.845 8 L CB 0.479 42.496 42.059 -0.069 0.000 1.143 8 L HN 0.237 nan 8.230 nan 0.000 0.452 9 R N 4.130 124.516 120.500 -0.191 0.000 2.255 9 R HA 0.624 4.964 4.340 -0.000 0.000 0.326 9 R C -1.367 174.877 176.300 -0.093 0.000 0.986 9 R CA -0.646 55.300 56.100 -0.257 0.000 0.847 9 R CB 1.521 31.329 30.300 -0.820 0.000 1.111 9 R HN 0.461 nan 8.270 nan 0.000 0.452 10 V N 4.202 124.176 119.914 0.101 0.000 2.531 10 V HA 0.310 4.430 4.120 -0.000 0.000 0.301 10 V C -0.293 175.923 176.094 0.204 0.000 1.034 10 V CA -0.897 61.466 62.300 0.105 0.000 0.865 10 V CB 2.079 33.937 31.823 0.058 0.000 0.995 10 V HN 0.430 nan 8.190 nan 0.000 0.424 11 V N 4.202 124.203 119.914 0.143 0.000 2.370 11 V HA 0.424 4.544 4.120 -0.000 0.000 0.279 11 V C 0.108 176.210 176.094 0.013 0.000 1.029 11 V CA -0.396 61.965 62.300 0.101 0.000 0.870 11 V CB 1.528 33.412 31.823 0.101 0.000 0.984 11 V HN 0.942 nan 8.190 nan 0.000 0.451 12 E N 5.189 125.394 120.200 0.008 0.000 2.145 12 E HA 0.447 4.797 4.350 -0.000 0.000 0.270 12 E C -1.270 175.319 176.600 -0.019 0.000 0.906 12 E CA -0.712 55.676 56.400 -0.020 0.000 0.761 12 E CB 1.438 31.136 29.700 -0.003 0.000 1.116 12 E HN 0.629 nan 8.360 nan 0.000 0.408 13 L N 3.672 124.864 121.223 -0.052 0.000 2.283 13 L HA 0.333 4.673 4.340 -0.000 0.000 0.287 13 L C 0.532 177.398 176.870 -0.006 0.000 1.073 13 L CA -0.629 54.206 54.840 -0.009 0.000 0.822 13 L CB 1.026 43.078 42.059 -0.012 0.000 1.186 13 L HN 0.617 nan 8.230 nan 0.000 0.436 14 A N 3.443 126.312 122.820 0.082 0.000 2.572 14 A HA 0.393 4.713 4.320 -0.000 0.000 0.256 14 A C 0.733 178.407 177.584 0.149 0.000 1.041 14 A CA 0.900 52.996 52.037 0.097 0.000 0.790 14 A CB -0.360 18.703 19.000 0.105 0.000 0.947 14 A HN 0.885 nan 8.150 nan 0.000 0.518 15 G N 0.851 109.696 108.800 0.075 0.000 3.166 15 G HA2 0.639 4.599 3.960 -0.000 0.000 0.267 15 G HA3 0.639 4.599 3.960 -0.000 0.000 0.267 15 G C -1.076 173.884 174.900 0.100 0.000 1.256 15 G CA -0.682 44.478 45.100 0.100 0.000 0.859 15 G HN 0.643 nan 8.290 nan 0.000 0.590 16 I N -0.309 120.319 120.570 0.096 0.000 2.730 16 I HA 0.671 4.841 4.170 -0.000 0.000 0.298 16 I C 0.902 177.080 176.117 0.102 0.000 1.089 16 I CA 0.845 62.212 61.300 0.112 0.000 1.041 16 I CB 1.930 40.009 38.000 0.131 0.000 1.235 16 I HN 1.340 nan 8.210 nan 0.000 0.423 17 G N 5.770 114.653 108.800 0.139 0.000 2.536 17 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.277 17 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.277 17 G C -1.839 173.185 174.900 0.206 0.000 1.155 17 G CA 0.167 45.337 45.100 0.117 0.000 0.960 17 G HN 0.467 nan 8.290 nan 0.000 0.544 18 P HA -0.007 nan 4.420 nan 0.000 0.216 18 P C 2.100 179.523 177.300 0.205 0.000 1.153 18 P CA 2.777 65.989 63.100 0.187 0.000 0.848 18 P CB -0.781 30.938 31.700 0.032 0.000 0.787 19 G N 1.741 110.598 108.800 0.096 0.000 2.514 19 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.217 19 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.217 19 G C -0.570 174.380 174.900 0.083 0.000 1.198 19 G CA 1.521 46.651 45.100 0.050 0.000 0.780 19 G HN 0.297 nan 8.290 nan 0.000 0.565 20 P HA -0.094 nan 4.420 nan 0.000 0.220 20 P C 1.152 178.539 177.300 0.146 0.000 1.148 20 P CA 1.543 64.710 63.100 0.112 0.000 0.803 20 P CB -0.082 31.687 31.700 0.115 0.000 0.782 21 H N 0.764 119.909 119.070 0.126 0.000 2.363 21 H HA 0.106 4.662 4.556 -0.000 0.000 0.301 21 H C 2.017 177.386 175.328 0.069 0.000 1.074 21 H CA 1.876 57.981 56.048 0.094 0.000 1.354 21 H CB -0.643 29.240 29.762 0.202 0.000 1.397 21 H HN -0.022 nan 8.280 nan 0.000 0.516 22 A N 0.851 123.723 122.820 0.086 0.000 1.902 22 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 22 A C 2.584 180.148 177.584 -0.033 0.000 1.181 22 A CA 1.829 53.868 52.037 0.004 0.000 0.623 22 A CB -1.354 17.685 19.000 0.066 0.000 0.818 22 A HN 0.597 nan 8.150 nan 0.000 0.443 23 A N -0.740 122.079 122.820 -0.003 0.000 1.933 23 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 23 A C 2.266 179.836 177.584 -0.023 0.000 1.175 23 A CA 1.854 53.888 52.037 -0.005 0.000 0.628 23 A CB -0.546 18.462 19.000 0.012 0.000 0.814 23 A HN 0.617 nan 8.150 nan 0.000 0.444 24 M N -0.493 119.082 119.600 -0.042 0.000 2.080 24 M HA -0.153 4.327 4.480 -0.000 0.000 0.260 24 M C 1.928 178.177 176.300 -0.085 0.000 1.068 24 M CA 2.008 57.274 55.300 -0.057 0.000 1.109 24 M CB -0.317 32.239 32.600 -0.072 0.000 1.342 24 M HN 0.415 nan 8.290 nan 0.000 0.405 25 I N 0.356 120.836 120.570 -0.151 0.000 2.493 25 I HA -0.303 3.867 4.170 -0.000 0.000 0.254 25 I C 2.139 178.221 176.117 -0.058 0.000 1.160 25 I CA 0.824 62.051 61.300 -0.122 0.000 1.445 25 I CB -0.279 37.616 38.000 -0.174 0.000 1.086 25 I HN 0.359 nan 8.210 nan 0.000 0.433 26 L N 0.109 121.303 121.223 -0.049 0.000 2.027 26 L HA -0.114 4.226 4.340 -0.000 0.000 0.206 26 L C 2.708 179.561 176.870 -0.028 0.000 1.074 26 L CA 1.616 56.438 54.840 -0.031 0.000 0.745 26 L CB -1.217 40.830 42.059 -0.019 0.000 0.898 26 L HN 0.307 nan 8.230 nan 0.000 0.433 27 G N -0.424 108.364 108.800 -0.020 0.000 2.418 27 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 27 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 27 G C 1.093 175.979 174.900 -0.022 0.000 1.158 27 G CA 0.926 46.018 45.100 -0.013 0.000 0.771 27 G HN 0.284 nan 8.290 nan 0.000 0.545 28 D N 0.477 120.863 120.400 -0.024 0.000 2.149 28 D HA -0.099 4.541 4.640 -0.000 0.000 0.194 28 D C 2.184 178.473 176.300 -0.020 0.000 1.001 28 D CA 0.765 54.754 54.000 -0.019 0.000 0.849 28 D CB -0.189 40.603 40.800 -0.012 0.000 0.939 28 D HN 0.327 nan 8.370 nan 0.000 0.449 29 L N -1.481 119.723 121.223 -0.030 0.000 2.685 29 L HA 0.336 4.676 4.340 -0.000 0.000 0.233 29 L C 1.351 178.154 176.870 -0.113 0.000 1.173 29 L CA 0.286 55.083 54.840 -0.071 0.000 0.961 29 L CB 0.195 42.206 42.059 -0.079 0.000 1.217 29 L HN 0.172 nan 8.230 nan 0.000 0.478 30 G N -0.012 108.745 108.800 -0.071 0.000 2.201 30 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.212 30 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.212 30 G C 0.455 175.328 174.900 -0.045 0.000 0.994 30 G CA -0.145 44.916 45.100 -0.066 0.000 0.644 30 G HN 0.455 nan 8.290 nan 0.000 0.508 31 A N 0.289 123.086 122.820 -0.038 0.000 2.445 31 A HA 0.483 4.803 4.320 -0.000 0.000 0.242 31 A C 0.291 177.887 177.584 0.020 0.000 1.075 31 A CA 0.735 52.761 52.037 -0.018 0.000 0.777 31 A CB 0.340 19.329 19.000 -0.018 0.000 1.013 31 A HN 0.394 nan 8.150 nan 0.000 0.493 32 D N 1.968 122.400 120.400 0.052 0.000 2.422 32 D HA 0.351 4.991 4.640 -0.000 0.000 0.227 32 D C -0.678 175.741 176.300 0.198 0.000 1.190 32 D CA 0.088 54.172 54.000 0.140 0.000 0.905 32 D CB 0.235 41.169 40.800 0.224 0.000 1.034 32 D HN 0.108 nan 8.370 nan 0.000 0.507 33 V N 4.228 124.220 119.914 0.129 0.000 2.407 33 V HA 0.308 4.428 4.120 -0.000 0.000 0.278 33 V C 0.306 176.452 176.094 0.087 0.000 1.037 33 V CA -0.774 61.592 62.300 0.110 0.000 0.900 33 V CB 1.693 33.547 31.823 0.051 0.000 0.983 33 V HN 0.266 nan 8.190 nan 0.000 0.459 34 V N 6.066 126.033 119.914 0.088 0.000 2.378 34 V HA 0.485 4.605 4.120 -0.000 0.000 0.288 34 V C 0.104 176.188 176.094 -0.016 0.000 1.016 34 V CA -0.697 61.585 62.300 -0.029 0.000 0.840 34 V CB 1.596 33.291 31.823 -0.214 0.000 0.994 34 V HN 0.889 nan 8.190 nan 0.000 0.431 35 R N 5.098 125.584 120.500 -0.023 0.000 2.294 35 R HA 0.656 4.996 4.340 -0.000 0.000 0.319 35 R C -1.108 175.184 176.300 -0.013 0.000 0.984 35 R CA -0.560 55.537 56.100 -0.006 0.000 0.861 35 R CB 1.035 31.339 30.300 0.006 0.000 1.104 35 R HN 0.688 nan 8.270 nan 0.000 0.451 36 I N 4.109 124.681 120.570 0.002 0.000 2.312 36 I HA 0.198 4.368 4.170 -0.000 0.000 0.290 36 I C -0.001 176.138 176.117 0.037 0.000 1.008 36 I CA -0.328 60.978 61.300 0.009 0.000 1.226 36 I CB 1.341 39.350 38.000 0.016 0.000 1.371 36 I HN 0.575 nan 8.210 nan 0.000 0.468 37 D N 5.117 125.534 120.400 0.028 0.000 2.384 37 D HA 0.348 4.988 4.640 -0.000 0.000 0.250 37 D C -0.258 176.062 176.300 0.033 0.000 1.029 37 D CA -0.716 53.309 54.000 0.042 0.000 0.990 37 D CB 1.522 42.341 40.800 0.032 0.000 1.175 37 D HN 0.413 nan 8.370 nan 0.000 0.532 38 R N 0.535 121.056 120.500 0.034 0.000 2.643 38 R HA 0.378 4.718 4.340 -0.000 0.000 0.270 38 R C -2.231 174.075 176.300 0.011 0.000 1.061 38 R CA -0.766 55.345 56.100 0.018 0.000 1.107 38 R CB -0.944 29.363 30.300 0.012 0.000 0.999 38 R HN 0.096 nan 8.270 nan 0.000 0.460 46 S N 5.365 121.068 115.700 0.005 0.000 2.584 46 S HA 0.462 4.932 4.470 -0.000 0.000 0.273 46 S C 0.907 175.511 174.600 0.006 0.000 1.311 46 S CA -0.214 57.991 58.200 0.008 0.000 1.034 46 S CB 1.290 64.499 63.200 0.014 0.000 0.939 46 S HN 0.776 nan 8.310 nan 0.000 0.513 47 R N 1.095 121.598 120.500 0.005 0.000 2.312 47 R HA 0.136 4.476 4.340 -0.000 0.000 0.205 47 R C -0.381 175.920 176.300 0.002 0.000 0.904 47 R CA 0.006 56.106 56.100 -0.001 0.000 1.052 47 R CB 0.151 30.448 30.300 -0.005 0.000 1.014 47 R HN 0.586 nan 8.270 nan 0.000 0.503 48 D N 0.433 120.840 120.400 0.011 0.000 2.344 48 D HA 0.068 4.708 4.640 -0.000 0.000 0.253 48 D C 0.795 177.108 176.300 0.022 0.000 1.255 48 D CA -0.095 53.915 54.000 0.018 0.000 0.894 48 D CB 1.304 42.121 40.800 0.030 0.000 1.067 48 D HN 0.145 nan 8.370 nan 0.000 0.492 49 A N 4.401 127.230 122.820 0.015 0.000 2.125 49 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 49 A C 2.040 179.652 177.584 0.046 0.000 1.156 49 A CA 1.262 53.315 52.037 0.027 0.000 0.671 49 A CB -0.623 18.380 19.000 0.005 0.000 0.794 49 A HN 0.754 nan 8.150 nan 0.000 0.459 50 M N -0.621 119.006 119.600 0.045 0.000 2.279 50 M HA -0.011 4.468 4.480 -0.000 0.000 0.264 50 M C 0.712 177.046 176.300 0.056 0.000 1.062 50 M CA 1.606 56.943 55.300 0.061 0.000 1.099 50 M CB -0.300 32.347 32.600 0.078 0.000 1.394 50 M HN 0.277 nan 8.290 nan 0.000 0.426 51 L N 2.147 123.399 121.223 0.048 0.000 2.715 51 L HA 0.182 4.522 4.340 -0.000 0.000 0.238 51 L C 0.851 177.742 176.870 0.035 0.000 1.212 51 L CA -0.546 54.318 54.840 0.040 0.000 1.017 51 L CB -1.096 40.984 42.059 0.035 0.000 1.269 51 L HN 0.372 nan 8.230 nan 0.000 0.452 52 R N -0.549 119.977 120.500 0.044 0.000 2.707 52 R HA 0.078 4.418 4.340 -0.000 0.000 0.270 52 R C -0.100 176.216 176.300 0.027 0.000 1.083 52 R CA -0.499 55.629 56.100 0.046 0.000 1.182 52 R CB 0.166 30.515 30.300 0.081 0.000 1.084 52 R HN 0.116 nan 8.270 nan 0.000 0.528 53 N N 0.437 119.148 118.700 0.017 0.000 2.725 53 N HA -0.180 4.560 4.740 -0.000 0.000 0.251 53 N C -1.095 174.422 175.510 0.011 0.000 1.031 53 N CA 1.138 54.192 53.050 0.007 0.000 0.720 53 N CB -0.701 37.785 38.487 -0.001 0.000 0.930 53 N HN 0.602 nan 8.380 nan 0.000 0.543 54 R N -0.312 120.194 120.500 0.011 0.000 2.905 54 R HA 0.584 4.924 4.340 -0.000 0.000 0.260 54 R C -0.009 176.290 176.300 -0.003 0.000 1.086 54 R CA -0.743 55.363 56.100 0.009 0.000 0.978 54 R CB 1.698 32.003 30.300 0.009 0.000 1.215 54 R HN 0.022 nan 8.270 nan 0.000 0.480 55 R N 0.895 121.385 120.500 -0.016 0.000 2.494 55 R HA 0.471 4.811 4.340 -0.000 0.000 0.305 55 R C -0.734 175.539 176.300 -0.045 0.000 0.959 55 R CA -0.814 55.262 56.100 -0.041 0.000 0.864 55 R CB 1.330 31.585 30.300 -0.075 0.000 1.159 55 R HN 0.305 nan 8.270 nan 0.000 0.446 56 I N 4.373 124.920 120.570 -0.038 0.000 2.354 56 I HA 0.316 4.486 4.170 -0.000 0.000 0.292 56 I C 0.476 176.565 176.117 -0.046 0.000 0.989 56 I CA -0.685 60.596 61.300 -0.032 0.000 1.188 56 I CB 1.157 39.148 38.000 -0.014 0.000 1.342 56 I HN 0.402 nan 8.210 nan 0.000 0.457 57 V N 2.912 122.795 119.914 -0.051 0.000 3.155 57 V HA 0.819 4.939 4.120 -0.000 0.000 0.313 57 V C -0.325 175.751 176.094 -0.030 0.000 1.162 57 V CA -0.465 61.804 62.300 -0.052 0.000 1.048 57 V CB 2.166 33.940 31.823 -0.082 0.000 1.092 57 V HN 0.747 nan 8.190 nan 0.000 0.447 58 T N 0.776 115.315 114.554 -0.025 0.000 2.893 58 T HA 0.872 5.222 4.350 -0.000 0.000 0.293 58 T C -0.786 173.908 174.700 -0.010 0.000 1.027 58 T CA 0.213 62.307 62.100 -0.011 0.000 0.988 58 T CB 1.381 70.244 68.868 -0.008 0.000 1.043 58 T HN 1.814 nan 8.240 nan 0.000 0.461 59 A N 2.621 125.441 122.820 -0.000 0.000 2.532 59 A HA 0.526 4.846 4.320 -0.000 0.000 0.296 59 A C -1.351 176.237 177.584 0.007 0.000 1.058 59 A CA -0.742 51.296 52.037 0.001 0.000 0.729 59 A CB 1.361 20.362 19.000 0.002 0.000 1.285 59 A HN 0.686 nan 8.150 nan 0.000 0.396 60 D N 2.930 123.333 120.400 0.004 0.000 2.383 60 D HA 0.276 4.916 4.640 -0.000 0.000 0.245 60 D C 1.008 177.312 176.300 0.007 0.000 1.263 60 D CA -0.151 53.851 54.000 0.003 0.000 0.936 60 D CB 0.082 40.882 40.800 0.000 0.000 1.053 60 D HN 0.442 nan 8.370 nan 0.000 0.507 61 L N 2.740 123.971 121.223 0.012 0.000 2.353 61 L HA -0.087 4.253 4.340 -0.000 0.000 0.220 61 L C 2.051 178.930 176.870 0.016 0.000 1.133 61 L CA 0.774 55.627 54.840 0.021 0.000 0.798 61 L CB -0.196 41.885 42.059 0.036 0.000 0.922 61 L HN 0.245 nan 8.230 nan 0.000 0.445 62 K N -0.003 120.399 120.400 0.005 0.000 2.459 62 K HA 0.014 4.334 4.320 -0.000 0.000 0.193 62 K C 0.938 177.541 176.600 0.005 0.000 1.030 62 K CA 0.122 56.410 56.287 0.002 0.000 1.026 62 K CB 0.185 32.681 32.500 -0.006 0.000 0.809 62 K HN 0.351 nan 8.250 nan 0.000 0.504 63 S N -0.230 115.474 115.700 0.006 0.000 2.690 63 S HA 0.167 4.637 4.470 -0.000 0.000 0.291 63 S C 0.435 175.041 174.600 0.010 0.000 1.138 63 S CA -0.951 57.253 58.200 0.006 0.000 1.013 63 S CB 1.524 64.727 63.200 0.004 0.000 1.053 63 S HN -0.038 nan 8.310 nan 0.000 0.539 64 D N 0.659 121.064 120.400 0.009 0.000 2.117 64 D HA -0.142 4.498 4.640 -0.000 0.000 0.198 64 D C 1.784 178.091 176.300 0.011 0.000 0.982 64 D CA 1.324 55.330 54.000 0.011 0.000 0.828 64 D CB -0.344 40.462 40.800 0.009 0.000 0.967 64 D HN 0.774 nan 8.370 nan 0.000 0.464 65 Q N 0.680 120.485 119.800 0.008 0.000 2.046 65 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 65 Q C 2.229 178.234 176.000 0.008 0.000 0.975 65 Q CA 1.782 57.589 55.803 0.007 0.000 0.836 65 Q CB -0.320 28.420 28.738 0.003 0.000 0.896 65 Q HN 0.260 nan 8.270 nan 0.000 0.428 66 G N 1.324 110.128 108.800 0.008 0.000 2.418 66 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 66 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 66 G C 1.352 176.263 174.900 0.017 0.000 1.158 66 G CA 0.898 46.004 45.100 0.009 0.000 0.771 66 G HN 0.384 nan 8.290 nan 0.000 0.545 67 L N 0.653 121.889 121.223 0.021 0.000 2.017 67 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 67 L C 2.535 179.423 176.870 0.030 0.000 1.073 67 L CA 2.501 57.358 54.840 0.029 0.000 0.745 67 L CB -0.734 41.342 42.059 0.029 0.000 0.894 67 L HN 0.406 nan 8.230 nan 0.000 0.432 68 E N -0.625 119.589 120.200 0.023 0.000 2.031 68 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 68 E C 2.260 178.874 176.600 0.024 0.000 0.994 68 E CA 1.689 58.103 56.400 0.023 0.000 0.800 68 E CB -0.204 29.507 29.700 0.018 0.000 0.752 68 E HN 0.561 nan 8.360 nan 0.000 0.447 69 L N 0.222 121.454 121.223 0.016 0.000 2.046 69 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 69 L C 2.686 179.564 176.870 0.015 0.000 1.077 69 L CA 1.124 55.970 54.840 0.010 0.000 0.747 69 L CB -0.621 41.436 42.059 -0.003 0.000 0.896 69 L HN 0.211 nan 8.230 nan 0.000 0.432 70 A N 0.199 123.031 122.820 0.020 0.000 1.902 70 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 70 A C 2.253 179.866 177.584 0.048 0.000 1.181 70 A CA 1.403 53.458 52.037 0.029 0.000 0.623 70 A CB -0.696 18.325 19.000 0.035 0.000 0.818 70 A HN 0.356 nan 8.150 nan 0.000 0.443 71 L N -0.979 120.274 121.223 0.050 0.000 2.131 71 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 71 L C 2.586 179.495 176.870 0.065 0.000 1.092 71 L CA 1.699 56.574 54.840 0.060 0.000 0.759 71 L CB -0.275 41.817 42.059 0.053 0.000 0.903 71 L HN 0.396 nan 8.230 nan 0.000 0.435 72 K N -0.329 120.106 120.400 0.058 0.000 2.217 72 K HA -0.144 4.176 4.320 -0.000 0.000 0.202 72 K C 2.018 178.682 176.600 0.107 0.000 1.051 72 K CA 0.677 57.005 56.287 0.068 0.000 0.952 72 K CB 0.174 32.703 32.500 0.049 0.000 0.736 72 K HN 0.077 nan 8.250 nan 0.000 0.453 73 L N 0.858 122.143 121.223 0.103 0.000 2.095 73 L HA -0.034 4.306 4.340 -0.000 0.000 0.204 73 L C 1.823 178.856 176.870 0.271 0.000 1.080 73 L CA 1.397 56.335 54.840 0.164 0.000 0.759 73 L CB -0.147 41.940 42.059 0.048 0.000 0.914 73 L HN 0.137 nan 8.230 nan 0.000 0.439 74 I N -0.972 119.694 120.570 0.159 0.000 2.394 74 I HA -0.239 3.931 4.170 -0.000 0.000 0.251 74 I C 2.484 178.661 176.117 0.100 0.000 1.136 74 I CA 0.954 62.329 61.300 0.125 0.000 1.425 74 I CB -0.466 37.579 38.000 0.074 0.000 1.079 74 I HN 0.229 nan 8.210 nan 0.000 0.425 75 A N 0.345 123.224 122.820 0.098 0.000 1.986 75 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 75 A C 2.072 179.686 177.584 0.049 0.000 1.171 75 A CA 1.640 53.719 52.037 0.069 0.000 0.640 75 A CB -0.221 18.820 19.000 0.068 0.000 0.811 75 A HN 0.247 nan 8.150 nan 0.000 0.451 76 K N -0.962 119.490 120.400 0.086 0.000 2.373 76 K HA 0.419 4.739 4.320 -0.000 0.000 0.202 76 K C 0.361 176.809 176.600 -0.254 0.000 1.025 76 K CA 0.581 56.860 56.287 -0.012 0.000 1.115 76 K CB 0.365 32.939 32.500 0.123 0.000 0.858 76 K HN 0.436 nan 8.250 nan 0.000 0.525 77 A N 0.917 123.646 122.820 -0.151 0.000 2.269 77 A HA 0.298 4.618 4.320 -0.000 0.000 0.319 77 A C 0.404 177.883 177.584 -0.175 0.000 1.110 77 A CA -0.428 51.454 52.037 -0.258 0.000 0.847 77 A CB 0.706 19.705 19.000 -0.003 0.000 1.161 77 A HN 0.002 nan 8.150 nan 0.000 0.497 78 D N -0.754 119.540 120.400 -0.177 0.000 2.277 78 D HA 0.146 4.786 4.640 -0.000 0.000 0.209 78 D C -0.095 176.170 176.300 -0.058 0.000 0.970 78 D CA 1.321 55.256 54.000 -0.107 0.000 0.874 78 D CB 0.494 41.227 40.800 -0.113 0.000 0.982 78 D HN 0.216 nan 8.370 nan 0.000 0.504 79 V N 1.561 121.444 119.914 -0.052 0.000 2.760 79 V HA 0.341 4.461 4.120 -0.000 0.000 0.309 79 V C -0.932 175.129 176.094 -0.056 0.000 1.077 79 V CA -0.960 61.316 62.300 -0.040 0.000 0.910 79 V CB 2.844 34.651 31.823 -0.027 0.000 1.008 79 V HN -0.103 nan 8.190 nan 0.000 0.424 80 L N 5.373 126.522 121.223 -0.124 0.000 2.333 80 L HA 0.699 5.039 4.340 -0.000 0.000 0.280 80 L C -0.782 175.948 176.870 -0.234 0.000 1.004 80 L CA -0.065 54.644 54.840 -0.218 0.000 0.820 80 L CB 1.372 43.173 42.059 -0.430 0.000 1.247 80 L HN 0.586 nan 8.230 nan 0.000 0.416 81 I N 4.505 124.976 120.570 -0.165 0.000 2.362 81 I HA 0.444 4.614 4.170 -0.000 0.000 0.289 81 I C -0.835 175.176 176.117 -0.176 0.000 0.994 81 I CA -0.504 60.715 61.300 -0.135 0.000 1.158 81 I CB 1.706 39.664 38.000 -0.071 0.000 1.315 81 I HN 0.681 nan 8.210 nan 0.000 0.451 82 E N 4.494 124.580 120.200 -0.189 0.000 2.272 82 E HA 0.663 5.013 4.350 -0.000 0.000 0.269 82 E C -0.294 176.147 176.600 -0.264 0.000 0.877 82 E CA -0.870 55.368 56.400 -0.271 0.000 0.755 82 E CB 1.887 31.473 29.700 -0.189 0.000 1.192 82 E HN 0.552 nan 8.360 nan 0.000 0.422 83 G N 2.232 110.749 108.800 -0.471 0.000 4.100 83 G HA2 0.222 4.182 3.960 -0.000 0.000 0.294 83 G HA3 0.222 4.182 3.960 -0.000 0.000 0.294 83 G C -0.818 173.939 174.900 -0.238 0.000 1.040 83 G CA -0.311 44.613 45.100 -0.294 0.000 0.829 83 G HN 0.414 nan 8.290 nan 0.000 0.505 84 Y N 0.007 120.327 120.300 0.032 0.000 2.418 84 Y HA 0.500 5.050 4.550 -0.000 0.000 0.327 84 Y C 1.264 177.185 175.900 0.035 0.000 1.309 84 Y CA -1.236 56.883 58.100 0.032 0.000 1.423 84 Y CB 0.849 39.333 38.460 0.040 0.000 1.423 84 Y HN -0.163 nan 8.280 nan 0.000 0.532 85 R N 1.320 121.957 120.500 0.229 0.000 2.698 85 R HA 0.041 4.381 4.340 -0.000 0.000 0.266 85 R C -2.484 173.898 176.300 0.137 0.000 1.026 85 R CA -1.370 54.819 56.100 0.148 0.000 1.102 85 R CB -0.226 30.148 30.300 0.123 0.000 0.978 85 R HN 0.268 nan 8.270 nan 0.000 0.436 86 P HA -0.072 nan 4.420 nan 0.000 0.264 86 P C 0.464 177.811 177.300 0.078 0.000 1.183 86 P CA 1.082 64.233 63.100 0.084 0.000 0.763 86 P CB 0.611 32.351 31.700 0.067 0.000 0.807 87 G N 0.992 109.834 108.800 0.070 0.000 2.241 87 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.244 87 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.244 87 G C 1.011 175.954 174.900 0.072 0.000 0.998 87 G CA 0.238 45.373 45.100 0.058 0.000 0.621 87 G HN 0.398 nan 8.290 nan 0.000 0.519 88 V N 1.944 121.920 119.914 0.103 0.000 2.244 88 V HA -0.156 3.964 4.120 -0.000 0.000 0.244 88 V C 3.254 179.424 176.094 0.127 0.000 1.042 88 V CA 3.575 65.938 62.300 0.105 0.000 1.006 88 V CB -1.169 30.735 31.823 0.136 0.000 0.641 88 V HN 0.887 nan 8.190 nan 0.000 0.446 89 T N -1.422 113.247 114.554 0.191 0.000 2.759 89 T HA -0.252 4.098 4.350 -0.000 0.000 0.269 89 T C 1.640 176.420 174.700 0.135 0.000 1.042 89 T CA 1.784 64.004 62.100 0.199 0.000 1.140 89 T CB -0.432 68.604 68.868 0.279 0.000 0.864 89 T HN 0.461 nan 8.240 nan 0.000 0.455 90 E N 1.177 121.435 120.200 0.097 0.000 2.038 90 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 90 E C 2.377 179.007 176.600 0.050 0.000 1.000 90 E CA 1.209 57.643 56.400 0.056 0.000 0.803 90 E CB -0.332 29.386 29.700 0.030 0.000 0.750 90 E HN 0.521 nan 8.360 nan 0.000 0.448 91 R N 0.337 120.866 120.500 0.048 0.000 2.127 91 R HA -0.117 4.223 4.340 -0.000 0.000 0.238 91 R C 2.034 178.356 176.300 0.035 0.000 1.134 91 R CA 1.063 57.184 56.100 0.034 0.000 0.975 91 R CB -0.226 30.090 30.300 0.027 0.000 0.865 91 R HN 0.220 nan 8.270 nan 0.000 0.447 92 L N -0.829 120.424 121.223 0.049 0.000 2.376 92 L HA 0.064 4.404 4.340 -0.000 0.000 0.219 92 L C 1.247 178.149 176.870 0.053 0.000 1.133 92 L CA 0.840 55.709 54.840 0.049 0.000 0.816 92 L CB 0.036 42.135 42.059 0.067 0.000 0.933 92 L HN 0.632 nan 8.230 nan 0.000 0.449 93 G N 0.011 108.846 108.800 0.059 0.000 2.132 93 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.228 93 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.228 93 G C 0.374 175.323 174.900 0.081 0.000 1.000 93 G CA 0.015 45.150 45.100 0.058 0.000 0.693 93 G HN 0.304 nan 8.290 nan 0.000 0.515 94 L N 0.586 121.876 121.223 0.111 0.000 3.122 94 L HA 0.429 4.769 4.340 -0.000 0.000 0.274 94 L C 1.688 178.709 176.870 0.251 0.000 1.222 94 L CA -0.050 54.888 54.840 0.163 0.000 1.028 94 L CB 0.518 42.669 42.059 0.154 0.000 1.386 94 L HN 0.315 nan 8.230 nan 0.000 0.578 95 G N 0.534 109.426 108.800 0.153 0.000 2.636 95 G HA2 0.157 4.117 3.960 -0.000 0.000 0.246 95 G HA3 0.157 4.117 3.960 -0.000 0.000 0.246 95 G C -1.780 173.085 174.900 -0.058 0.000 1.216 95 G CA -0.726 44.409 45.100 0.058 0.000 0.854 95 G HN -0.023 nan 8.290 nan 0.000 0.572 96 P HA -0.127 nan 4.420 nan 0.000 0.216 96 P C 1.500 178.711 177.300 -0.149 0.000 1.154 96 P CA 1.476 64.220 63.100 -0.593 0.000 0.865 96 P CB 0.219 31.477 31.700 -0.737 0.000 0.789 97 E N -0.864 119.272 120.200 -0.106 0.000 2.204 97 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 97 E C 1.899 178.500 176.600 0.001 0.000 0.989 97 E CA 0.652 57.028 56.400 -0.041 0.000 0.824 97 E CB -0.266 29.411 29.700 -0.038 0.000 0.756 97 E HN 0.304 nan 8.360 nan 0.000 0.477 98 E N 0.201 120.414 120.200 0.021 0.000 2.076 98 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 98 E C 2.167 178.811 176.600 0.072 0.000 0.979 98 E CA 0.517 56.945 56.400 0.047 0.000 0.807 98 E CB -0.312 29.423 29.700 0.058 0.000 0.761 98 E HN 0.265 nan 8.360 nan 0.000 0.454 99 C N 0.939 120.309 119.300 0.117 0.000 2.425 99 C HA -0.034 4.426 4.460 -0.000 0.000 0.277 99 C C 2.785 177.838 174.990 0.104 0.000 1.280 99 C CA 0.750 59.858 59.018 0.150 0.000 1.744 99 C CB -0.991 26.928 27.740 0.299 0.000 1.989 99 C HN 0.453 nan 8.230 nan 0.000 0.491 100 A N 0.359 123.224 122.820 0.075 0.000 1.972 100 A HA -0.211 4.108 4.320 -0.000 0.000 0.219 100 A C 2.161 179.767 177.584 0.036 0.000 1.169 100 A CA 1.557 53.623 52.037 0.047 0.000 0.635 100 A CB -0.452 18.560 19.000 0.021 0.000 0.810 100 A HN 0.699 nan 8.150 nan 0.000 0.446 101 K N -0.527 119.895 120.400 0.036 0.000 2.147 101 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 101 K C 1.580 178.198 176.600 0.030 0.000 1.049 101 K CA 1.678 57.982 56.287 0.028 0.000 0.936 101 K CB -0.158 32.358 32.500 0.028 0.000 0.722 101 K HN 0.571 nan 8.250 nan 0.000 0.446 102 V N -3.137 116.800 119.914 0.040 0.000 3.643 102 V HA 0.200 4.320 4.120 -0.000 0.000 0.280 102 V C 0.011 176.126 176.094 0.035 0.000 1.351 102 V CA -0.206 62.116 62.300 0.037 0.000 1.073 102 V CB -0.186 31.663 31.823 0.044 0.000 0.863 102 V HN 0.230 nan 8.190 nan 0.000 0.436 103 N N 1.344 120.067 118.700 0.038 0.000 3.112 103 N HA 0.081 4.821 4.740 -0.000 0.000 0.231 103 N C -0.296 175.235 175.510 0.035 0.000 1.385 103 N CA 0.461 53.530 53.050 0.031 0.000 0.790 103 N CB 0.947 39.455 38.487 0.034 0.000 1.563 103 N HN 0.376 nan 8.380 nan 0.000 0.613 104 D N 2.040 122.454 120.400 0.022 0.000 2.328 104 D HA 0.001 4.641 4.640 -0.000 0.000 0.226 104 D C 0.704 177.013 176.300 0.015 0.000 1.066 104 D CA 0.079 54.093 54.000 0.022 0.000 0.861 104 D CB 0.177 40.986 40.800 0.014 0.000 0.912 104 D HN 0.497 nan 8.370 nan 0.000 0.521 105 R N -0.253 120.251 120.500 0.007 0.000 2.317 105 R HA 0.206 4.546 4.340 -0.000 0.000 0.208 105 R C 0.258 176.561 176.300 0.005 0.000 0.914 105 R CA -0.527 55.571 56.100 -0.003 0.000 1.060 105 R CB 0.148 30.434 30.300 -0.023 0.000 1.015 105 R HN 0.090 nan 8.270 nan 0.000 0.498 106 L N 1.886 123.126 121.223 0.029 0.000 2.367 106 L HA 0.163 4.502 4.340 -0.000 0.000 0.275 106 L C -0.269 176.642 176.870 0.068 0.000 1.129 106 L CA -0.009 54.856 54.840 0.041 0.000 0.839 106 L CB 0.597 42.699 42.059 0.071 0.000 1.133 106 L HN -0.031 nan 8.230 nan 0.000 0.453 107 I N 6.306 126.903 120.570 0.045 0.000 2.291 107 I HA 0.052 4.222 4.170 -0.000 0.000 0.292 107 I C -0.527 175.638 176.117 0.080 0.000 1.064 107 I CA -0.073 61.266 61.300 0.065 0.000 1.269 107 I CB -0.336 37.687 38.000 0.037 0.000 1.418 107 I HN 0.586 nan 8.210 nan 0.000 0.485 108 Y N 5.600 125.909 120.300 0.014 0.000 2.535 108 Y HA 0.523 5.073 4.550 -0.000 0.000 0.349 108 Y C 0.393 176.301 175.900 0.013 0.000 0.992 108 Y CA -0.625 57.483 58.100 0.015 0.000 1.248 108 Y CB 0.882 39.351 38.460 0.016 0.000 1.124 108 Y HN 0.666 nan 8.280 nan 0.000 0.520 109 A N 7.530 130.391 122.820 0.068 0.000 2.253 109 A HA 0.558 4.878 4.320 -0.000 0.000 0.316 109 A C -0.562 177.068 177.584 0.076 0.000 1.327 109 A CA -0.841 51.240 52.037 0.075 0.000 0.917 109 A CB 0.251 19.260 19.000 0.014 0.000 1.162 109 A HN 0.857 nan 8.150 nan 0.000 0.535 110 R N 2.552 123.125 120.500 0.122 0.000 2.239 110 R HA 0.370 4.710 4.340 -0.000 0.000 0.332 110 R C -0.953 175.364 176.300 0.029 0.000 0.988 110 R CA -0.616 55.541 56.100 0.094 0.000 0.859 110 R CB 1.329 31.714 30.300 0.141 0.000 1.148 110 R HN 0.662 nan 8.270 nan 0.000 0.482 111 M N 3.313 122.905 119.600 -0.014 0.000 2.069 111 M HA 0.163 4.643 4.480 -0.000 0.000 0.349 111 M C -0.551 175.700 176.300 -0.081 0.000 1.194 111 M CA -0.162 55.113 55.300 -0.041 0.000 1.081 111 M CB 0.923 33.498 32.600 -0.042 0.000 1.500 111 M HN 0.698 nan 8.290 nan 0.000 0.438 112 T N 0.731 115.214 114.554 -0.117 0.000 2.887 112 T HA 0.788 5.138 4.350 -0.000 0.000 0.292 112 T C 0.657 175.117 174.700 -0.401 0.000 1.087 112 T CA -0.487 61.499 62.100 -0.189 0.000 1.009 112 T CB 1.411 70.226 68.868 -0.089 0.000 1.203 112 T HN 0.502 nan 8.240 nan 0.000 0.518 113 G N -0.930 107.431 108.800 -0.733 0.000 2.447 113 G HA2 0.077 4.037 3.960 -0.000 0.000 0.211 113 G HA3 0.077 4.037 3.960 -0.000 0.000 0.211 113 G C 0.775 175.103 174.900 -0.952 0.000 1.184 113 G CA -0.351 43.767 45.100 -1.636 0.000 0.813 113 G HN 0.823 nan 8.290 nan 0.000 0.540 114 W N 0.619 121.731 121.300 -0.313 0.000 2.737 114 W HA 0.417 5.077 4.660 -0.000 0.000 0.262 114 W C 1.424 177.898 176.519 -0.075 0.000 1.282 114 W CA 0.303 57.600 57.345 -0.079 0.000 1.386 114 W CB 0.497 29.980 29.460 0.038 0.000 1.099 114 W HN 0.546 nan 8.180 nan 0.000 0.621 115 G N 0.070 108.930 108.800 0.099 0.000 2.592 115 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.684 115 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.684 115 G C 0.146 175.088 174.900 0.069 0.000 1.291 115 G CA -0.410 44.726 45.100 0.060 0.000 0.891 115 G HN -0.038 nan 8.290 nan 0.000 0.544 116 Q N -0.508 119.318 119.800 0.043 0.000 2.269 116 Q HA 0.121 4.461 4.340 -0.000 0.000 0.201 116 Q C 1.709 177.730 176.000 0.036 0.000 0.946 116 Q CA 1.961 57.787 55.803 0.038 0.000 0.877 116 Q CB 0.157 28.907 28.738 0.020 0.000 0.963 116 Q HN 1.143 nan 8.270 nan 0.000 0.472 117 T N -3.505 111.068 114.554 0.031 0.000 2.887 117 T HA 0.759 5.109 4.350 -0.000 0.000 0.292 117 T C 0.115 174.824 174.700 0.014 0.000 1.087 117 T CA -0.329 61.782 62.100 0.018 0.000 1.009 117 T CB 2.524 71.395 68.868 0.005 0.000 1.203 117 T HN 0.289 nan 8.240 nan 0.000 0.518 118 G N 1.187 109.983 108.800 -0.007 0.000 2.515 118 G HA2 0.152 4.112 3.960 -0.000 0.000 0.686 118 G HA3 0.152 4.112 3.960 -0.000 0.000 0.686 118 G C -2.212 172.651 174.900 -0.061 0.000 1.274 118 G CA -0.318 44.764 45.100 -0.031 0.000 0.874 118 G HN 0.662 nan 8.290 nan 0.000 0.631 119 P HA -0.146 nan 4.420 nan 0.000 0.217 119 P C 1.381 178.580 177.300 -0.169 0.000 1.148 119 P CA 1.391 64.423 63.100 -0.114 0.000 0.834 119 P CB 0.026 31.652 31.700 -0.123 0.000 0.783 120 R N -0.564 119.772 120.500 -0.274 0.000 2.362 120 R HA 0.134 4.474 4.340 -0.000 0.000 0.227 120 R C 2.260 178.414 176.300 -0.243 0.000 0.905 120 R CA 0.532 56.356 56.100 -0.461 0.000 1.067 120 R CB -0.320 29.293 30.300 -1.145 0.000 1.078 120 R HN 0.249 nan 8.270 nan 0.000 0.516 121 S N 0.678 116.355 115.700 -0.038 0.000 2.440 121 S HA -0.147 4.323 4.470 -0.000 0.000 0.238 121 S C 1.578 176.269 174.600 0.151 0.000 1.010 121 S CA 0.891 59.167 58.200 0.127 0.000 0.972 121 S CB 0.041 63.291 63.200 0.083 0.000 0.774 121 S HN 0.183 nan 8.310 nan 0.000 0.501 122 Q N 0.700 120.553 119.800 0.088 0.000 2.319 122 Q HA 0.293 4.633 4.340 -0.000 0.000 0.202 122 Q C 0.365 176.438 176.000 0.121 0.000 0.896 122 Q CA 0.136 55.995 55.803 0.093 0.000 0.942 122 Q CB 0.106 28.873 28.738 0.048 0.000 1.083 122 Q HN 0.809 nan 8.270 nan 0.000 0.510 123 Q N 0.311 120.211 119.800 0.167 0.000 2.256 123 Q HA 0.509 4.849 4.340 -0.000 0.000 0.254 123 Q C -0.768 175.436 176.000 0.340 0.000 0.916 123 Q CA -0.358 55.564 55.803 0.199 0.000 0.932 123 Q CB 1.187 29.984 28.738 0.098 0.000 1.207 123 Q HN 0.172 nan 8.270 nan 0.000 0.426 124 A N 2.633 125.583 122.820 0.217 0.000 2.483 124 A HA 0.581 4.901 4.320 -0.000 0.000 0.238 124 A C 0.290 177.986 177.584 0.187 0.000 1.070 124 A CA 0.762 52.898 52.037 0.166 0.000 0.770 124 A CB 0.207 19.269 19.000 0.104 0.000 1.008 124 A HN 0.885 nan 8.150 nan 0.000 0.497 125 G N 0.268 109.081 108.800 0.021 0.000 2.506 125 G HA2 0.571 4.531 3.960 -0.000 0.000 0.292 125 G HA3 0.571 4.531 3.960 -0.000 0.000 0.292 125 G C -1.277 173.354 174.900 -0.448 0.000 1.425 125 G CA -0.630 44.353 45.100 -0.195 0.000 0.788 125 G HN 0.856 nan 8.290 nan 0.000 0.490 126 H N -1.048 117.701 119.070 -0.535 0.000 2.959 126 H HA 0.333 4.889 4.556 -0.000 0.000 0.296 126 H C 0.555 175.561 175.328 -0.537 0.000 1.421 126 H CA -0.230 55.630 56.048 -0.314 0.000 1.206 126 H CB 2.378 32.049 29.762 -0.152 0.000 1.891 126 H HN 0.641 nan 8.280 nan 0.000 0.573 127 D N 0.812 121.211 120.400 -0.003 0.000 2.154 127 D HA -0.181 4.459 4.640 -0.000 0.000 0.190 127 D C 1.892 178.121 176.300 -0.119 0.000 1.003 127 D CA 1.574 55.572 54.000 -0.004 0.000 0.849 127 D CB 0.062 40.840 40.800 -0.037 0.000 0.942 127 D HN 0.486 nan 8.370 nan 0.000 0.446 128 I N 0.357 120.858 120.570 -0.115 0.000 2.248 128 I HA -0.328 3.842 4.170 -0.000 0.000 0.248 128 I C 1.712 177.749 176.117 -0.132 0.000 1.107 128 I CA 1.459 62.706 61.300 -0.089 0.000 1.373 128 I CB -0.138 37.828 38.000 -0.057 0.000 1.055 128 I HN 0.078 nan 8.210 nan 0.000 0.418 129 N N -0.620 117.897 118.700 -0.306 0.000 2.171 129 N HA -0.194 4.546 4.740 -0.000 0.000 0.184 129 N C 1.609 176.955 175.510 -0.272 0.000 1.021 129 N CA 1.427 54.305 53.050 -0.286 0.000 0.854 129 N CB -0.261 37.993 38.487 -0.387 0.000 0.994 129 N HN 0.305 nan 8.380 nan 0.000 0.426 130 Y N 1.339 121.466 120.300 -0.288 0.000 2.200 130 Y HA -0.043 4.507 4.550 -0.000 0.000 0.290 130 Y C 2.112 177.974 175.900 -0.064 0.000 1.137 130 Y CA 0.466 58.339 58.100 -0.378 0.000 1.163 130 Y CB -0.889 37.273 38.460 -0.495 0.000 0.988 130 Y HN 0.159 nan 8.280 nan 0.000 0.518 131 I N -1.822 118.795 120.570 0.078 0.000 2.928 131 I HA -0.060 4.110 4.170 -0.000 0.000 0.266 131 I C 2.082 178.263 176.117 0.107 0.000 1.234 131 I CA 1.271 62.625 61.300 0.090 0.000 1.483 131 I CB -0.590 37.446 38.000 0.059 0.000 1.097 131 I HN 0.161 nan 8.210 nan 0.000 0.455 132 S N 1.383 117.143 115.700 0.101 0.000 2.436 132 S HA -0.027 4.443 4.470 -0.000 0.000 0.228 132 S C 1.828 176.522 174.600 0.157 0.000 1.014 132 S CA 0.462 58.733 58.200 0.119 0.000 0.950 132 S CB -0.453 62.804 63.200 0.095 0.000 0.784 132 S HN 0.491 nan 8.310 nan 0.000 0.504 133 L N 2.708 124.061 121.223 0.217 0.000 2.509 133 L HA 0.325 4.665 4.340 -0.000 0.000 0.222 133 L C 1.337 178.331 176.870 0.208 0.000 1.123 133 L CA 0.759 55.739 54.840 0.233 0.000 0.856 133 L CB -0.313 41.968 42.059 0.370 0.000 0.985 133 L HN 0.664 nan 8.230 nan 0.000 0.456 134 N N -2.503 116.325 118.700 0.212 0.000 2.234 134 N HA 0.199 4.939 4.740 -0.000 0.000 0.227 134 N C 1.114 176.790 175.510 0.276 0.000 1.151 134 N CA 0.523 53.719 53.050 0.244 0.000 0.865 134 N CB 0.695 39.319 38.487 0.228 0.000 1.066 134 N HN 0.098 nan 8.380 nan 0.000 0.515 135 G N 1.501 110.413 108.800 0.186 0.000 2.205 135 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.261 135 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.261 135 G C 0.752 175.701 174.900 0.083 0.000 0.980 135 G CA 0.449 45.619 45.100 0.118 0.000 0.632 135 G HN 0.358 nan 8.290 nan 0.000 0.533 136 I N -0.164 120.461 120.570 0.091 0.000 2.142 136 I HA -0.108 4.062 4.170 -0.000 0.000 0.240 136 I C 2.620 178.782 176.117 0.075 0.000 1.078 136 I CA 1.617 62.950 61.300 0.054 0.000 1.343 136 I CB -0.334 37.702 38.000 0.060 0.000 1.046 136 I HN 0.287 nan 8.210 nan 0.000 0.405 137 L N 0.367 121.645 121.223 0.092 0.000 2.083 137 L HA -0.266 4.074 4.340 -0.000 0.000 0.209 137 L C 2.635 179.559 176.870 0.091 0.000 1.083 137 L CA 1.935 56.821 54.840 0.078 0.000 0.752 137 L CB -1.092 41.008 42.059 0.069 0.000 0.899 137 L HN 0.310 nan 8.230 nan 0.000 0.433 138 H N -0.472 118.619 119.070 0.035 0.000 2.422 138 H HA -0.104 4.452 4.556 -0.000 0.000 0.298 138 H C 1.667 177.017 175.328 0.037 0.000 1.098 138 H CA 1.366 57.434 56.048 0.033 0.000 1.315 138 H CB 0.359 30.142 29.762 0.035 0.000 1.382 138 H HN 0.468 nan 8.280 nan 0.000 0.523 139 A N 1.005 123.901 122.820 0.126 0.000 2.251 139 A HA 0.168 4.488 4.320 -0.000 0.000 0.209 139 A C 0.733 178.362 177.584 0.075 0.000 1.187 139 A CA -0.091 52.023 52.037 0.127 0.000 0.823 139 A CB 0.074 19.196 19.000 0.203 0.000 0.846 139 A HN 0.194 nan 8.150 nan 0.000 0.486 140 I N 0.313 120.898 120.570 0.026 0.000 2.336 140 I HA 0.588 4.758 4.170 -0.000 0.000 0.292 140 I C 0.725 176.828 176.117 -0.024 0.000 0.991 140 I CA 0.363 61.672 61.300 0.015 0.000 1.227 140 I CB -0.115 37.895 38.000 0.017 0.000 1.366 140 I HN 0.334 nan 8.210 nan 0.000 0.466 141 G N 6.271 115.054 108.800 -0.028 0.000 2.408 141 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.682 141 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.682 141 G C -0.718 174.143 174.900 -0.066 0.000 1.303 141 G CA -1.084 43.985 45.100 -0.051 0.000 0.966 141 G HN 0.453 nan 8.290 nan 0.000 0.560 142 R N 0.120 120.576 120.500 -0.073 0.000 2.594 142 R HA 0.425 4.765 4.340 -0.000 0.000 0.272 142 R C 1.825 178.078 176.300 -0.078 0.000 1.074 142 R CA 0.251 56.304 56.100 -0.077 0.000 1.105 142 R CB 0.572 30.828 30.300 -0.074 0.000 1.008 142 R HN 1.105 nan 8.270 nan 0.000 0.472 143 G N 1.478 110.233 108.800 -0.076 0.000 2.471 143 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 143 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 143 G C 0.741 175.604 174.900 -0.062 0.000 1.125 143 G CA 0.649 45.704 45.100 -0.076 0.000 0.775 143 G HN 0.754 nan 8.290 nan 0.000 0.548 144 D N -0.265 120.103 120.400 -0.052 0.000 2.340 144 D HA 0.044 4.684 4.640 -0.000 0.000 0.220 144 D C 0.332 176.609 176.300 -0.038 0.000 1.039 144 D CA 0.250 54.226 54.000 -0.039 0.000 0.866 144 D CB 0.328 41.108 40.800 -0.033 0.000 0.913 144 D HN 0.327 nan 8.370 nan 0.000 0.523 145 E N 0.765 120.936 120.200 -0.049 0.000 2.392 145 E HA 0.278 4.628 4.350 -0.000 0.000 0.269 145 E C -0.197 176.371 176.600 -0.054 0.000 0.924 145 E CA -1.078 55.295 56.400 -0.044 0.000 0.784 145 E CB 2.363 32.036 29.700 -0.045 0.000 1.292 145 E HN 0.113 nan 8.360 nan 0.000 0.447 146 R N 0.549 121.024 120.500 -0.041 0.000 2.734 146 R HA 0.233 4.573 4.340 -0.000 0.000 0.266 146 R C -2.358 173.910 176.300 -0.053 0.000 1.044 146 R CA -1.114 54.961 56.100 -0.042 0.000 1.128 146 R CB -0.698 29.590 30.300 -0.020 0.000 1.010 146 R HN 0.062 nan 8.270 nan 0.000 0.461 147 P HA -0.038 nan 4.420 nan 0.000 0.269 147 P C -0.830 176.452 177.300 -0.030 0.000 1.215 147 P CA -0.385 62.680 63.100 -0.058 0.000 0.780 147 P CB 0.764 32.436 31.700 -0.046 0.000 0.898 148 V N 3.686 123.583 119.914 -0.027 0.000 2.555 148 V HA 0.502 4.622 4.120 -0.000 0.000 0.302 148 V C -2.360 173.730 176.094 -0.007 0.000 1.038 148 V CA -2.778 59.511 62.300 -0.019 0.000 0.887 148 V CB 1.748 33.555 31.823 -0.026 0.000 0.991 148 V HN 0.496 nan 8.190 nan 0.000 0.434 149 P HA 0.310 nan 4.420 nan 0.000 0.276 149 P C -2.719 174.589 177.300 0.013 0.000 1.230 149 P CA -1.692 61.411 63.100 0.005 0.000 0.776 149 P CB 0.372 32.072 31.700 0.000 0.000 0.888 150 P HA 0.142 nan 4.420 nan 0.000 0.220 150 P C 0.683 178.015 177.300 0.053 0.000 1.806 150 P CA -0.182 62.939 63.100 0.035 0.000 0.976 150 P CB -0.459 31.265 31.700 0.040 0.000 1.952 151 L N -0.973 120.280 121.223 0.051 0.000 6.402 151 L HA -0.347 3.993 4.340 -0.000 0.000 0.053 151 L C 1.019 177.917 176.870 0.048 0.000 1.852 151 L CA 1.781 56.659 54.840 0.064 0.000 1.743 151 L CB -1.488 40.636 42.059 0.110 0.000 2.654 151 L HN 0.354 nan 8.230 nan 0.000 1.008 152 N N -0.111 118.628 118.700 0.065 0.000 2.467 152 N HA 0.302 5.042 4.740 -0.000 0.000 0.278 152 N C 0.448 175.963 175.510 0.010 0.000 1.306 152 N CA -0.133 52.908 53.050 -0.015 0.000 0.905 152 N CB 0.220 38.651 38.487 -0.095 0.000 1.236 152 N HN 0.603 nan 8.380 nan 0.000 0.509 153 L N -0.659 120.638 121.223 0.123 0.000 2.209 153 L HA 0.115 4.455 4.340 -0.000 0.000 0.207 153 L C 1.766 178.728 176.870 0.153 0.000 1.094 153 L CA 0.500 55.472 54.840 0.220 0.000 0.790 153 L CB 0.140 42.309 42.059 0.183 0.000 0.932 153 L HN 0.035 nan 8.230 nan 0.000 0.447 154 V N -0.838 119.125 119.914 0.082 0.000 2.426 154 V HA 0.040 4.160 4.120 -0.000 0.000 0.242 154 V C 2.306 178.433 176.094 0.056 0.000 1.036 154 V CA 1.643 63.990 62.300 0.079 0.000 1.044 154 V CB -0.745 31.115 31.823 0.061 0.000 0.688 154 V HN 0.461 nan 8.190 nan 0.000 0.462 155 G N -0.400 108.402 108.800 0.003 0.000 2.508 155 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.212 155 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.212 155 G C 1.136 175.978 174.900 -0.097 0.000 1.206 155 G CA 0.768 45.858 45.100 -0.016 0.000 0.822 155 G HN 0.429 nan 8.290 nan 0.000 0.550 156 D N 0.097 120.343 120.400 -0.257 0.000 2.116 156 D HA -0.062 4.578 4.640 -0.000 0.000 0.193 156 D C 2.053 178.096 176.300 -0.429 0.000 0.998 156 D CA 1.117 54.797 54.000 -0.534 0.000 0.836 156 D CB -0.103 40.029 40.800 -1.112 0.000 0.951 156 D HN 0.320 nan 8.370 nan 0.000 0.449 157 F N -0.629 119.333 119.950 0.020 0.000 2.485 157 F HA 0.312 4.839 4.527 -0.000 0.000 0.274 157 F C 2.560 178.425 175.800 0.109 0.000 0.963 157 F CA 0.479 58.492 58.000 0.021 0.000 1.169 157 F CB -1.157 37.755 39.000 -0.145 0.000 1.145 157 F HN -0.073 nan 8.300 nan 0.000 0.682 158 G N -0.189 108.788 108.800 0.295 0.000 2.476 158 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.218 158 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.218 158 G C 1.703 176.804 174.900 0.335 0.000 1.164 158 G CA 1.149 46.397 45.100 0.245 0.000 0.768 158 G HN 0.557 nan 8.290 nan 0.000 0.560 159 G N -0.760 108.214 108.800 0.290 0.000 3.453 159 G HA2 0.483 4.443 3.960 -0.000 0.000 0.263 159 G HA3 0.483 4.443 3.960 -0.000 0.000 0.263 159 G C 0.817 175.840 174.900 0.206 0.000 1.060 159 G CA 1.008 46.292 45.100 0.307 0.000 0.793 159 G HN 0.674 nan 8.290 nan 0.000 0.532 160 G N 0.755 109.686 108.800 0.218 0.000 2.446 160 G HA2 0.162 4.122 3.960 -0.000 0.000 0.202 160 G HA3 0.162 4.122 3.960 -0.000 0.000 0.202 160 G C 1.932 176.950 174.900 0.197 0.000 1.842 160 G CA 1.205 46.373 45.100 0.113 0.000 0.703 160 G HN 0.458 nan 8.290 nan 0.000 0.731 161 S N 0.344 116.188 115.700 0.240 0.000 2.382 161 S HA -0.112 4.358 4.470 -0.000 0.000 0.228 161 S C 2.402 177.127 174.600 0.208 0.000 1.027 161 S CA 1.847 60.209 58.200 0.270 0.000 0.991 161 S CB -0.324 63.171 63.200 0.492 0.000 0.823 161 S HN 0.097 nan 8.310 nan 0.000 0.469 162 M N 0.608 120.334 119.600 0.210 0.000 2.117 162 M HA 0.140 4.619 4.480 -0.000 0.000 0.262 162 M C 1.899 178.139 176.300 -0.100 0.000 1.065 162 M CA 1.098 56.421 55.300 0.038 0.000 1.114 162 M CB -1.743 30.851 32.600 -0.010 0.000 1.361 162 M HN 0.356 nan 8.290 nan 0.000 0.408 163 F N -0.090 119.896 119.950 0.061 0.000 2.259 163 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 163 F C 2.239 178.058 175.800 0.032 0.000 1.088 163 F CA 0.638 58.660 58.000 0.037 0.000 1.358 163 F CB -0.732 38.283 39.000 0.025 0.000 1.040 163 F HN 0.050 nan 8.300 nan 0.000 0.505 164 L N 0.037 121.371 121.223 0.186 0.000 2.017 164 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 164 L C 2.072 178.983 176.870 0.067 0.000 1.073 164 L CA 1.752 56.658 54.840 0.110 0.000 0.745 164 L CB -0.700 41.413 42.059 0.089 0.000 0.894 164 L HN 0.087 nan 8.230 nan 0.000 0.432 165 L N -1.935 119.314 121.223 0.044 0.000 1.994 165 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 165 L C 2.435 179.306 176.870 0.001 0.000 1.071 165 L CA 1.284 56.131 54.840 0.013 0.000 0.745 165 L CB -0.860 41.195 42.059 -0.005 0.000 0.892 165 L HN 0.079 nan 8.230 nan 0.000 0.431 166 V N 0.361 120.256 119.914 -0.032 0.000 2.287 166 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 166 V C 2.639 178.745 176.094 0.020 0.000 1.053 166 V CA 2.131 64.409 62.300 -0.038 0.000 1.027 166 V CB -1.459 30.295 31.823 -0.115 0.000 0.646 166 V HN 0.607 nan 8.190 nan 0.000 0.447 167 G N -0.078 108.757 108.800 0.057 0.000 2.514 167 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 167 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 167 G C 1.564 176.502 174.900 0.063 0.000 1.198 167 G CA 1.362 46.507 45.100 0.076 0.000 0.780 167 G HN 0.483 nan 8.290 nan 0.000 0.565 168 I N 0.398 120.999 120.570 0.052 0.000 2.127 168 I HA -0.186 3.984 4.170 -0.000 0.000 0.241 168 I C 2.805 178.950 176.117 0.047 0.000 1.075 168 I CA 0.960 62.286 61.300 0.044 0.000 1.334 168 I CB -0.282 37.735 38.000 0.027 0.000 1.040 168 I HN 0.140 nan 8.210 nan 0.000 0.405 169 L N 0.308 121.555 121.223 0.041 0.000 2.093 169 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 169 L C 2.870 179.793 176.870 0.089 0.000 1.085 169 L CA 1.145 56.016 54.840 0.051 0.000 0.755 169 L CB -0.768 41.309 42.059 0.030 0.000 0.904 169 L HN 0.243 nan 8.230 nan 0.000 0.435 170 A N 0.297 123.161 122.820 0.073 0.000 1.908 170 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 170 A C 2.493 180.179 177.584 0.169 0.000 1.181 170 A CA 1.998 54.094 52.037 0.100 0.000 0.627 170 A CB -0.674 18.363 19.000 0.062 0.000 0.818 170 A HN 0.414 nan 8.150 nan 0.000 0.445 171 A N -0.773 122.119 122.820 0.120 0.000 2.016 171 A HA 0.153 4.473 4.320 -0.000 0.000 0.217 171 A C 2.105 179.746 177.584 0.096 0.000 1.162 171 A CA 1.125 53.226 52.037 0.106 0.000 0.662 171 A CB -0.464 18.583 19.000 0.078 0.000 0.812 171 A HN 0.454 nan 8.150 nan 0.000 0.450 172 L N -1.260 120.020 121.223 0.094 0.000 2.083 172 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 172 L C 2.601 179.532 176.870 0.102 0.000 1.083 172 L CA 1.353 56.235 54.840 0.071 0.000 0.752 172 L CB -0.471 41.621 42.059 0.055 0.000 0.899 172 L HN 0.821 nan 8.230 nan 0.000 0.433 173 W N 1.443 122.738 121.300 -0.008 0.000 2.355 173 W HA -0.228 4.432 4.660 0.000 0.000 0.309 173 W C 2.223 178.740 176.519 -0.004 0.000 1.206 173 W CA 1.778 59.120 57.345 -0.006 0.000 1.284 173 W CB -0.212 29.247 29.460 -0.001 0.000 1.145 173 W HN 0.247 nan 8.180 nan 0.000 0.502 174 E N 1.101 121.380 120.200 0.131 0.000 2.085 174 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 174 E C 2.281 178.826 176.600 -0.092 0.000 0.994 174 E CA 1.598 58.007 56.400 0.015 0.000 0.801 174 E CB -0.550 29.211 29.700 0.102 0.000 0.743 174 E HN 0.316 nan 8.360 nan 0.000 0.453 175 R N 0.010 120.476 120.500 -0.055 0.000 2.193 175 R HA -0.128 4.212 4.340 -0.000 0.000 0.229 175 R C 2.236 178.466 176.300 -0.117 0.000 1.110 175 R CA 1.030 57.091 56.100 -0.065 0.000 0.988 175 R CB 0.088 30.366 30.300 -0.035 0.000 0.871 175 R HN 0.136 nan 8.270 nan 0.000 0.458 176 Q N -0.271 119.412 119.800 -0.194 0.000 2.170 176 Q HA -0.109 4.231 4.340 -0.000 0.000 0.203 176 Q C 2.018 177.885 176.000 -0.223 0.000 0.976 176 Q CA 1.969 57.631 55.803 -0.235 0.000 0.858 176 Q CB 0.158 28.676 28.738 -0.367 0.000 0.907 176 Q HN 0.472 nan 8.270 nan 0.000 0.433 177 S N -0.783 114.776 115.700 -0.235 0.000 2.460 177 S HA -0.015 4.455 4.470 -0.000 0.000 0.226 177 S C 2.086 176.621 174.600 -0.108 0.000 1.057 177 S CA 0.714 58.808 58.200 -0.177 0.000 0.948 177 S CB -0.120 62.966 63.200 -0.190 0.000 0.822 177 S HN 0.319 nan 8.310 nan 0.000 0.512 178 S N 0.914 116.559 115.700 -0.092 0.000 2.439 178 S HA 0.408 4.878 4.470 -0.000 0.000 0.224 178 S C 1.847 176.418 174.600 -0.048 0.000 1.029 178 S CA 0.770 58.937 58.200 -0.055 0.000 0.946 178 S CB -0.758 62.420 63.200 -0.037 0.000 0.797 178 S HN 1.545 nan 8.310 nan 0.000 0.504 179 G N 1.099 109.864 108.800 -0.058 0.000 2.162 179 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.260 179 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.260 179 G C -0.102 174.778 174.900 -0.033 0.000 0.976 179 G CA 0.472 45.544 45.100 -0.048 0.000 0.655 179 G HN 0.567 nan 8.290 nan 0.000 0.533 180 K N 0.075 120.460 120.400 -0.026 0.000 2.375 180 K HA 0.680 5.000 4.320 -0.000 0.000 0.249 180 K C 0.774 177.373 176.600 -0.001 0.000 0.942 180 K CA -0.108 56.173 56.287 -0.011 0.000 0.806 180 K CB 1.865 34.362 32.500 -0.005 0.000 1.227 180 K HN 0.292 nan 8.250 nan 0.000 0.430 181 G N 0.430 109.237 108.800 0.012 0.000 2.509 181 G HA2 0.484 4.444 3.960 -0.000 0.000 0.269 181 G HA3 0.484 4.444 3.960 -0.000 0.000 0.269 181 G C -0.452 174.471 174.900 0.037 0.000 1.416 181 G CA -0.010 45.108 45.100 0.029 0.000 1.052 181 G HN 0.648 nan 8.290 nan 0.000 0.542 182 Q N -3.534 116.300 119.800 0.057 0.000 2.944 182 Q HA 0.422 4.762 4.340 -0.000 0.000 0.328 182 Q C -1.978 174.072 176.000 0.083 0.000 0.810 182 Q CA -0.934 54.901 55.803 0.053 0.000 0.847 182 Q CB 1.098 29.860 28.738 0.040 0.000 1.408 182 Q HN 0.461 nan 8.270 nan 0.000 0.484 183 V N 1.204 121.153 119.914 0.059 0.000 2.398 183 V HA 0.475 4.595 4.120 -0.000 0.000 0.286 183 V C -0.392 175.748 176.094 0.077 0.000 1.026 183 V CA -0.761 61.586 62.300 0.078 0.000 0.868 183 V CB 1.458 33.276 31.823 -0.009 0.000 0.982 183 V HN 0.519 nan 8.190 nan 0.000 0.443 184 V N 3.547 123.526 119.914 0.108 0.000 2.364 184 V HA 0.281 4.401 4.120 -0.000 0.000 0.272 184 V C -0.100 176.042 176.094 0.080 0.000 1.036 184 V CA -0.303 62.049 62.300 0.086 0.000 0.880 184 V CB 1.401 33.276 31.823 0.087 0.000 0.991 184 V HN 0.925 nan 8.190 nan 0.000 0.460 185 D N 4.945 125.378 120.400 0.055 0.000 2.456 185 D HA 0.485 5.125 4.640 -0.000 0.000 0.219 185 D C 0.046 176.363 176.300 0.029 0.000 1.126 185 D CA -0.177 53.846 54.000 0.038 0.000 0.890 185 D CB 1.260 42.073 40.800 0.022 0.000 1.025 185 D HN 0.659 nan 8.370 nan 0.000 0.511 186 A N 3.190 126.026 122.820 0.027 0.000 2.322 186 A HA 0.689 5.009 4.320 -0.000 0.000 0.327 186 A C -0.189 177.371 177.584 -0.040 0.000 1.394 186 A CA -0.646 51.401 52.037 0.018 0.000 0.921 186 A CB 0.590 19.627 19.000 0.061 0.000 1.153 186 A HN 0.576 nan 8.150 nan 0.000 0.523 187 A N 3.092 125.866 122.820 -0.076 0.000 2.288 187 A HA 0.581 4.901 4.320 -0.000 0.000 0.320 187 A C 0.958 178.425 177.584 -0.195 0.000 1.217 187 A CA -0.615 51.338 52.037 -0.140 0.000 0.840 187 A CB 0.273 19.222 19.000 -0.085 0.000 1.179 187 A HN 0.861 nan 8.150 nan 0.000 0.504 188 M N 2.421 121.839 119.600 -0.303 0.000 2.195 188 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 188 M C 1.914 178.096 176.300 -0.196 0.000 1.066 188 M CA 1.546 56.682 55.300 -0.273 0.000 1.089 188 M CB -0.353 32.007 32.600 -0.401 0.000 1.377 188 M HN 0.641 nan 8.290 nan 0.000 0.411 189 V N 0.735 120.542 119.914 -0.177 0.000 2.407 189 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 189 V C 1.613 177.677 176.094 -0.050 0.000 1.055 189 V CA 2.137 64.426 62.300 -0.018 0.000 1.049 189 V CB -0.377 31.541 31.823 0.158 0.000 0.662 189 V HN 0.421 nan 8.190 nan 0.000 0.455 190 D N 0.305 120.635 120.400 -0.116 0.000 2.084 190 D HA -0.043 4.597 4.640 -0.000 0.000 0.199 190 D C 2.121 178.207 176.300 -0.357 0.000 0.981 190 D CA 1.581 55.473 54.000 -0.181 0.000 0.841 190 D CB -1.090 39.612 40.800 -0.165 0.000 0.997 190 D HN 0.483 nan 8.370 nan 0.000 0.454 191 G N 1.092 109.568 108.800 -0.540 0.000 2.529 191 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.219 191 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.219 191 G C 1.748 176.228 174.900 -0.701 0.000 1.177 191 G CA 2.472 46.854 45.100 -1.196 0.000 0.773 191 G HN 0.416 nan 8.290 nan 0.000 0.573 192 S N 0.329 115.882 115.700 -0.245 0.000 2.400 192 S HA -0.107 4.363 4.470 -0.000 0.000 0.232 192 S C 2.420 177.016 174.600 -0.006 0.000 1.025 192 S CA 1.770 59.942 58.200 -0.047 0.000 0.993 192 S CB -0.413 62.795 63.200 0.013 0.000 0.808 192 S HN 0.272 nan 8.310 nan 0.000 0.478 193 S N 1.428 117.108 115.700 -0.033 0.000 2.356 193 S HA -0.022 4.448 4.470 -0.000 0.000 0.223 193 S C 1.964 176.599 174.600 0.059 0.000 1.032 193 S CA 1.295 59.538 58.200 0.070 0.000 1.005 193 S CB -0.554 62.642 63.200 -0.007 0.000 0.867 193 S HN 0.455 nan 8.310 nan 0.000 0.449 194 V N 1.601 121.465 119.914 -0.084 0.000 2.515 194 V HA -0.086 4.034 4.120 -0.000 0.000 0.250 194 V C 2.174 178.356 176.094 0.147 0.000 1.058 194 V CA 1.146 63.449 62.300 0.005 0.000 1.064 194 V CB -0.604 31.190 31.823 -0.048 0.000 0.675 194 V HN 0.325 nan 8.190 nan 0.000 0.461 195 L N -0.511 120.808 121.223 0.159 0.000 2.131 195 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 195 L C 1.825 178.766 176.870 0.119 0.000 1.092 195 L CA 1.852 56.828 54.840 0.228 0.000 0.759 195 L CB -0.175 42.040 42.059 0.259 0.000 0.903 195 L HN 0.292 nan 8.230 nan 0.000 0.435 196 I N -1.061 119.568 120.570 0.097 0.000 3.884 196 I HA -0.013 4.157 4.170 -0.000 0.000 0.330 196 I C 1.730 177.890 176.117 0.072 0.000 1.451 196 I CA 0.013 61.326 61.300 0.022 0.000 1.165 196 I CB -0.172 37.808 38.000 -0.032 0.000 1.097 196 I HN 0.359 nan 8.210 nan 0.000 0.404 197 Q N 0.918 120.804 119.800 0.144 0.000 2.248 197 Q HA -0.267 4.073 4.340 -0.000 0.000 0.208 197 Q C 1.979 178.039 176.000 0.100 0.000 0.984 197 Q CA 1.912 57.828 55.803 0.188 0.000 0.875 197 Q CB -0.070 28.741 28.738 0.123 0.000 0.910 197 Q HN 0.684 nan 8.270 nan 0.000 0.433 198 M N -0.538 119.058 119.600 -0.007 0.000 2.086 198 M HA -0.225 4.254 4.480 -0.000 0.000 0.261 198 M C 1.856 178.050 176.300 -0.177 0.000 1.067 198 M CA 1.556 56.812 55.300 -0.073 0.000 1.116 198 M CB 0.018 32.556 32.600 -0.104 0.000 1.348 198 M HN 0.180 nan 8.290 nan 0.000 0.407 199 M N -0.871 118.502 119.600 -0.378 0.000 2.159 199 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 199 M C 1.507 177.573 176.300 -0.390 0.000 1.063 199 M CA 2.027 56.919 55.300 -0.680 0.000 1.110 199 M CB -0.703 31.221 32.600 -1.126 0.000 1.374 199 M HN 0.416 nan 8.290 nan 0.000 0.411 200 W N -0.532 120.680 121.300 -0.147 0.000 2.388 200 W HA -0.035 4.625 4.660 -0.000 0.000 0.294 200 W C 2.530 179.033 176.519 -0.026 0.000 1.212 200 W CA 0.891 58.201 57.345 -0.059 0.000 1.271 200 W CB -0.499 28.934 29.460 -0.046 0.000 1.126 200 W HN 0.201 nan 8.180 nan 0.000 0.535 201 A N -0.050 122.875 122.820 0.175 0.000 1.902 201 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 201 A C 1.931 179.571 177.584 0.093 0.000 1.181 201 A CA 1.713 53.816 52.037 0.111 0.000 0.623 201 A CB -0.783 18.259 19.000 0.071 0.000 0.818 201 A HN 0.244 nan 8.150 nan 0.000 0.443 202 M N -1.293 118.347 119.600 0.065 0.000 2.132 202 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 202 M C 2.401 178.793 176.300 0.153 0.000 1.065 202 M CA 1.283 56.646 55.300 0.105 0.000 1.122 202 M CB -0.323 32.353 32.600 0.126 0.000 1.365 202 M HN 0.366 nan 8.290 nan 0.000 0.411 203 R N 0.146 120.739 120.500 0.154 0.000 2.103 203 R HA -0.161 4.179 4.340 -0.000 0.000 0.242 203 R C 2.218 178.603 176.300 0.141 0.000 1.142 203 R CA 1.698 57.898 56.100 0.168 0.000 0.960 203 R CB -0.604 29.784 30.300 0.145 0.000 0.858 203 R HN 0.385 nan 8.270 nan 0.000 0.439 204 A N 0.466 123.371 122.820 0.141 0.000 2.070 204 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 204 A C 1.871 179.504 177.584 0.082 0.000 1.159 204 A CA 1.798 53.902 52.037 0.112 0.000 0.656 204 A CB -0.357 18.708 19.000 0.108 0.000 0.800 204 A HN 0.500 nan 8.150 nan 0.000 0.453 205 T N -5.190 109.413 114.554 0.081 0.000 3.174 205 T HA 0.450 4.800 4.350 -0.000 0.000 0.269 205 T C 1.113 175.848 174.700 0.058 0.000 1.017 205 T CA 0.887 63.024 62.100 0.062 0.000 0.899 205 T CB 0.064 68.967 68.868 0.058 0.000 1.077 205 T HN 1.631 nan 8.240 nan 0.000 0.552 206 G N 1.772 110.612 108.800 0.066 0.000 2.143 206 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.248 206 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.248 206 G C 0.518 175.451 174.900 0.055 0.000 0.991 206 G CA 0.493 45.622 45.100 0.049 0.000 0.689 206 G HN 0.564 nan 8.290 nan 0.000 0.522 207 M N -1.123 118.537 119.600 0.100 0.000 2.371 207 M HA 0.350 4.830 4.480 -0.000 0.000 0.246 207 M C 0.473 176.912 176.300 0.233 0.000 1.103 207 M CA 0.088 55.464 55.300 0.128 0.000 1.010 207 M CB 0.550 33.226 32.600 0.128 0.000 1.457 207 M HN 0.356 nan 8.290 nan 0.000 0.486 208 W N 0.815 122.102 121.300 -0.021 0.000 3.274 208 W HA 0.381 5.041 4.660 -0.000 0.000 0.327 208 W C -1.249 175.245 176.519 -0.041 0.000 1.172 208 W CA -0.587 56.734 57.345 -0.040 0.000 1.217 208 W CB 1.752 31.170 29.460 -0.071 0.000 1.376 208 W HN -0.080 nan 8.180 nan 0.000 0.507 209 T N 0.335 114.635 114.554 -0.423 0.000 2.912 209 T HA 0.242 4.592 4.350 -0.000 0.000 0.288 209 T C 0.233 174.844 174.700 -0.148 0.000 1.030 209 T CA -0.420 61.563 62.100 -0.195 0.000 1.020 209 T CB 1.993 70.748 68.868 -0.187 0.000 1.056 209 T HN 0.265 nan 8.240 nan 0.000 0.480 210 D N 1.252 121.652 120.400 -0.000 0.000 2.378 210 D HA 0.073 4.713 4.640 -0.000 0.000 0.222 210 D C 0.497 176.855 176.300 0.096 0.000 0.980 210 D CA 0.758 54.803 54.000 0.074 0.000 0.907 210 D CB -0.286 40.542 40.800 0.047 0.000 0.899 210 D HN 0.637 nan 8.370 nan 0.000 0.527 211 T N 0.982 115.525 114.554 -0.018 0.000 2.814 211 T HA 0.103 4.453 4.350 -0.000 0.000 0.297 211 T C 0.541 175.193 174.700 -0.081 0.000 0.956 211 T CA -0.546 61.539 62.100 -0.025 0.000 1.123 211 T CB 1.336 70.167 68.868 -0.061 0.000 0.902 211 T HN 0.018 nan 8.240 nan 0.000 0.528 212 R N 2.221 122.675 120.500 -0.077 0.000 2.442 212 R HA 0.372 4.712 4.340 -0.000 0.000 0.291 212 R C 1.224 177.459 176.300 -0.107 0.000 1.069 212 R CA 0.920 56.953 56.100 -0.112 0.000 1.022 212 R CB -0.238 29.945 30.300 -0.197 0.000 0.976 212 R HN 0.963 nan 8.270 nan 0.000 0.443 213 G N 2.390 111.127 108.800 -0.105 0.000 2.160 213 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.251 213 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.251 213 G C 0.192 175.027 174.900 -0.108 0.000 1.008 213 G CA 0.263 45.303 45.100 -0.100 0.000 0.724 213 G HN 0.840 nan 8.290 nan 0.000 0.514 214 A N -0.544 122.183 122.820 -0.155 0.000 2.643 214 A HA 0.605 4.925 4.320 -0.000 0.000 0.295 214 A C 0.588 178.051 177.584 -0.203 0.000 1.065 214 A CA -0.005 51.960 52.037 -0.119 0.000 0.986 214 A CB 0.329 19.265 19.000 -0.107 0.000 1.212 214 A HN 0.323 nan 8.150 nan 0.000 0.516 215 N N -1.192 117.316 118.700 -0.319 0.000 2.701 215 N HA 0.321 5.061 4.740 -0.000 0.000 0.290 215 N C 0.750 176.120 175.510 -0.232 0.000 1.338 215 N CA -0.620 52.124 53.050 -0.510 0.000 0.799 215 N CB 1.013 38.589 38.487 -1.519 0.000 1.491 215 N HN 0.233 nan 8.380 nan 0.000 0.540 216 M N 0.192 119.704 119.600 -0.146 0.000 2.229 216 M HA 0.070 4.549 4.480 -0.000 0.000 0.264 216 M C 0.376 176.574 176.300 -0.171 0.000 1.063 216 M CA 1.779 57.065 55.300 -0.022 0.000 1.114 216 M CB 0.132 32.797 32.600 0.109 0.000 1.387 216 M HN 0.396 nan 8.290 nan 0.000 0.420 217 L N -0.445 120.739 121.223 -0.064 0.000 3.069 217 L HA 0.200 4.540 4.340 -0.000 0.000 0.271 217 L C 0.385 177.294 176.870 0.065 0.000 1.201 217 L CA -0.340 54.332 54.840 -0.279 0.000 1.015 217 L CB 0.142 42.068 42.059 -0.221 0.000 1.371 217 L HN 0.241 nan 8.230 nan 0.000 0.574 218 D N -0.770 119.690 120.400 0.100 0.000 2.398 218 D HA 0.165 4.805 4.640 -0.000 0.000 0.210 218 D C 1.377 177.687 176.300 0.017 0.000 1.094 218 D CA 0.649 54.715 54.000 0.109 0.000 0.839 218 D CB 0.834 41.707 40.800 0.122 0.000 0.963 218 D HN 0.146 nan 8.370 nan 0.000 0.506 219 G N -0.551 108.243 108.800 -0.011 0.000 2.184 219 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.206 219 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.206 219 G C 1.222 176.023 174.900 -0.166 0.000 0.995 219 G CA 0.112 45.162 45.100 -0.083 0.000 0.651 219 G HN 0.604 nan 8.290 nan 0.000 0.511 220 G N 0.401 109.102 108.800 -0.165 0.000 2.511 220 G HA2 0.467 4.427 3.960 -0.000 0.000 0.217 220 G HA3 0.467 4.427 3.960 -0.000 0.000 0.217 220 G C 0.895 175.542 174.900 -0.421 0.000 1.133 220 G CA 1.438 46.436 45.100 -0.169 0.000 0.792 220 G HN 1.676 nan 8.290 nan 0.000 0.539 221 A N 0.616 123.038 122.820 -0.663 0.000 2.301 221 A HA 0.637 4.957 4.320 -0.000 0.000 0.298 221 A C -1.244 175.689 177.584 -1.085 0.000 1.185 221 A CA -1.351 49.800 52.037 -1.476 0.000 0.830 221 A CB 1.399 19.543 19.000 -1.427 0.000 1.112 221 A HN 0.034 nan 8.150 nan 0.000 0.508 222 P HA -0.095 nan 4.420 nan 0.000 0.230 222 P C 0.315 177.564 177.300 -0.085 0.000 1.158 222 P CA 1.233 64.085 63.100 -0.412 0.000 0.769 222 P CB -0.159 31.388 31.700 -0.255 0.000 0.807 223 Y N -4.648 115.617 120.300 -0.058 0.000 2.457 223 Y HA 0.383 4.932 4.550 -0.000 0.000 0.263 223 Y C 0.268 176.239 175.900 0.118 0.000 1.164 223 Y CA -1.020 57.150 58.100 0.118 0.000 1.274 223 Y CB -0.757 37.831 38.460 0.212 0.000 1.097 223 Y HN -0.161 nan 8.280 nan 0.000 0.523 224 Y N 1.807 121.969 120.300 -0.231 0.000 2.592 224 Y HA 0.512 5.062 4.550 -0.000 0.000 0.354 224 Y C -1.327 174.462 175.900 -0.185 0.000 1.063 224 Y CA -1.045 56.975 58.100 -0.133 0.000 1.205 224 Y CB 0.319 38.711 38.460 -0.114 0.000 1.106 224 Y HN 0.195 nan 8.280 nan 0.000 0.649 225 D N 0.567 120.839 120.400 -0.213 0.000 2.755 225 D HA 0.213 4.853 4.640 -0.000 0.000 0.277 225 D C -0.936 175.189 176.300 -0.292 0.000 1.261 225 D CA -0.201 53.643 54.000 -0.261 0.000 0.759 225 D CB 1.661 42.239 40.800 -0.369 0.000 1.279 225 D HN 0.247 nan 8.370 nan 0.000 0.420 226 T N -0.927 113.428 114.554 -0.333 0.000 2.913 226 T HA 0.693 5.043 4.350 -0.000 0.000 0.287 226 T C -0.463 173.993 174.700 -0.406 0.000 1.008 226 T CA -0.237 61.692 62.100 -0.284 0.000 1.067 226 T CB 0.793 69.494 68.868 -0.278 0.000 0.996 226 T HN 0.263 nan 8.240 nan 0.000 0.513 227 Y N -0.495 119.670 120.300 -0.226 0.000 2.477 227 Y HA 0.480 5.030 4.550 -0.000 0.000 0.347 227 Y C 0.306 176.219 175.900 0.022 0.000 0.981 227 Y CA -1.169 56.841 58.100 -0.150 0.000 1.033 227 Y CB 2.027 40.282 38.460 -0.341 0.000 1.245 227 Y HN 0.818 nan 8.280 nan 0.000 0.455 228 E N 1.778 122.144 120.200 0.276 0.000 2.301 228 E HA 0.488 4.838 4.350 -0.000 0.000 0.275 228 E C -0.938 175.763 176.600 0.167 0.000 1.030 228 E CA -0.329 56.197 56.400 0.210 0.000 0.852 228 E CB 0.744 30.563 29.700 0.197 0.000 1.060 228 E HN 0.719 nan 8.360 nan 0.000 0.401 229 C N 2.144 121.501 119.300 0.095 0.000 2.548 229 C HA 0.516 4.976 4.460 -0.000 0.000 0.412 229 C C 1.793 176.849 174.990 0.110 0.000 1.588 229 C CA -0.022 59.123 59.018 0.210 0.000 1.861 229 C CB 0.768 28.673 27.740 0.274 0.000 1.983 229 C HN 0.991 nan 8.230 nan 0.000 0.497 230 A N 0.894 123.783 122.820 0.115 0.000 2.019 230 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 230 A C 1.445 179.024 177.584 -0.008 0.000 1.164 230 A CA 2.209 54.264 52.037 0.030 0.000 0.644 230 A CB -0.559 18.429 19.000 -0.019 0.000 0.805 230 A HN 0.947 nan 8.150 nan 0.000 0.449 231 D N -1.980 118.409 120.400 -0.018 0.000 2.325 231 D HA 0.270 4.910 4.640 -0.000 0.000 0.225 231 D C 1.127 177.373 176.300 -0.090 0.000 1.096 231 D CA 0.678 54.650 54.000 -0.046 0.000 0.844 231 D CB -0.731 40.045 40.800 -0.040 0.000 0.925 231 D HN 0.687 nan 8.370 nan 0.000 0.513 232 G N 0.561 109.290 108.800 -0.119 0.000 2.168 232 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.263 232 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.263 232 G C 0.365 174.979 174.900 -0.477 0.000 0.977 232 G CA 0.272 45.247 45.100 -0.209 0.000 0.659 232 G HN 0.486 nan 8.290 nan 0.000 0.533 233 R N -1.244 118.996 120.500 -0.433 0.000 2.606 233 R HA 0.713 5.053 4.340 -0.000 0.000 0.249 233 R C -0.530 175.372 176.300 -0.664 0.000 1.127 233 R CA -0.649 55.089 56.100 -0.603 0.000 1.133 233 R CB 0.668 30.835 30.300 -0.222 0.000 1.243 233 R HN 0.234 nan 8.270 nan 0.000 0.558 234 Y N -0.680 119.623 120.300 0.005 0.000 2.524 234 Y HA 0.468 5.017 4.550 -0.000 0.000 0.344 234 Y C 0.036 175.912 175.900 -0.040 0.000 1.012 234 Y CA -1.210 56.875 58.100 -0.025 0.000 1.068 234 Y CB 1.692 40.111 38.460 -0.068 0.000 1.249 234 Y HN 0.283 nan 8.280 nan 0.000 0.468 235 V N -0.775 119.168 119.914 0.049 0.000 2.815 235 V HA 1.009 5.129 4.120 -0.000 0.000 0.314 235 V C -0.384 175.614 176.094 -0.160 0.000 1.064 235 V CA -1.252 60.998 62.300 -0.084 0.000 0.952 235 V CB 1.395 33.089 31.823 -0.215 0.000 1.020 235 V HN 0.971 nan 8.190 nan 0.000 0.439 236 A N 2.852 125.569 122.820 -0.171 0.000 2.292 236 A HA 0.818 5.138 4.320 -0.000 0.000 0.319 236 A C -0.521 176.911 177.584 -0.254 0.000 1.206 236 A CA -0.630 51.280 52.037 -0.213 0.000 0.835 236 A CB 1.279 20.160 19.000 -0.199 0.000 1.164 236 A HN 1.203 nan 8.150 nan 0.000 0.505 237 V N 2.065 121.833 119.914 -0.242 0.000 2.417 237 V HA 0.629 4.749 4.120 -0.000 0.000 0.291 237 V C 0.911 176.867 176.094 -0.229 0.000 1.024 237 V CA 0.388 62.569 62.300 -0.198 0.000 0.861 237 V CB 1.781 33.561 31.823 -0.073 0.000 0.985 237 V HN 1.164 nan 8.190 nan 0.000 0.436 238 G N 3.124 111.820 108.800 -0.172 0.000 4.250 238 G HA2 0.427 4.387 3.960 -0.000 0.000 0.295 238 G HA3 0.427 4.387 3.960 -0.000 0.000 0.295 238 G C 0.416 175.411 174.900 0.158 0.000 1.081 238 G CA 0.463 45.474 45.100 -0.149 0.000 0.854 238 G HN 0.887 nan 8.290 nan 0.000 0.524 239 A N 0.917 123.871 122.820 0.222 0.000 3.056 239 A HA 0.550 4.870 4.320 -0.000 0.000 0.274 239 A C 1.362 179.161 177.584 0.359 0.000 1.661 239 A CA -0.381 51.841 52.037 0.307 0.000 1.363 239 A CB -0.521 18.628 19.000 0.248 0.000 1.139 239 A HN 0.374 nan 8.150 nan 0.000 0.598 240 I N -0.121 120.677 120.570 0.381 0.000 2.110 240 I HA -0.136 4.034 4.170 -0.000 0.000 0.236 240 I C 0.740 176.870 176.117 0.022 0.000 1.068 240 I CA 0.667 62.114 61.300 0.246 0.000 1.333 240 I CB -0.299 37.890 38.000 0.316 0.000 1.054 240 I HN 0.428 nan 8.210 nan 0.000 0.402 241 E N 2.358 122.592 120.200 0.057 0.000 2.413 241 E HA -0.021 4.329 4.350 -0.000 0.000 0.263 241 E C -1.601 174.891 176.600 -0.181 0.000 1.015 241 E CA -1.089 55.203 56.400 -0.179 0.000 0.916 241 E CB -0.047 29.364 29.700 -0.481 0.000 0.947 241 E HN 0.151 nan 8.360 nan 0.000 0.440 242 P HA -0.220 nan 4.420 nan 0.000 0.220 242 P C 0.883 178.175 177.300 -0.013 0.000 1.148 242 P CA 1.185 64.240 63.100 -0.074 0.000 0.803 242 P CB 0.336 31.979 31.700 -0.095 0.000 0.782 243 Q N -0.980 118.733 119.800 -0.146 0.000 2.230 243 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 243 Q C 1.773 177.843 176.000 0.117 0.000 0.963 243 Q CA 1.238 57.002 55.803 -0.064 0.000 0.866 243 Q CB -1.049 27.603 28.738 -0.143 0.000 0.931 243 Q HN 0.164 nan 8.270 nan 0.000 0.452 244 F N 0.492 120.479 119.950 0.062 0.000 2.149 244 F HA -0.009 4.518 4.527 -0.000 0.000 0.294 244 F C 2.438 178.270 175.800 0.054 0.000 1.095 244 F CA -0.080 57.951 58.000 0.053 0.000 1.276 244 F CB -1.548 37.483 39.000 0.053 0.000 1.023 244 F HN 0.043 nan 8.300 nan 0.000 0.480 245 Y N 1.162 121.543 120.300 0.136 0.000 2.139 245 Y HA -0.284 4.266 4.550 -0.000 0.000 0.282 245 Y C 2.427 178.348 175.900 0.035 0.000 1.179 245 Y CA 1.821 59.942 58.100 0.035 0.000 1.161 245 Y CB -0.616 37.803 38.460 -0.068 0.000 0.970 245 Y HN -0.003 nan 8.280 nan 0.000 0.511 246 A N 0.281 123.155 122.820 0.090 0.000 1.902 246 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 246 A C 2.446 180.030 177.584 0.001 0.000 1.181 246 A CA 1.929 53.975 52.037 0.015 0.000 0.623 246 A CB -1.543 17.499 19.000 0.071 0.000 0.818 246 A HN 0.628 nan 8.150 nan 0.000 0.443 247 A N -0.787 122.079 122.820 0.076 0.000 1.908 247 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 247 A C 2.236 179.903 177.584 0.138 0.000 1.181 247 A CA 2.032 54.138 52.037 0.116 0.000 0.627 247 A CB -0.558 18.543 19.000 0.168 0.000 0.818 247 A HN 0.514 nan 8.150 nan 0.000 0.445 248 M N -0.115 119.501 119.600 0.027 0.000 2.065 248 M HA -0.132 4.348 4.480 -0.000 0.000 0.259 248 M C 2.063 178.318 176.300 -0.074 0.000 1.069 248 M CA 1.784 57.028 55.300 -0.093 0.000 1.110 248 M CB -0.796 31.641 32.600 -0.271 0.000 1.328 248 M HN 0.457 nan 8.290 nan 0.000 0.405 249 L N -0.095 120.984 121.223 -0.239 0.000 2.079 249 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 249 L C 2.658 179.485 176.870 -0.070 0.000 1.081 249 L CA 1.345 56.056 54.840 -0.214 0.000 0.752 249 L CB -1.086 40.811 42.059 -0.270 0.000 0.896 249 L HN 0.378 nan 8.230 nan 0.000 0.433 250 A N 0.355 123.170 122.820 -0.009 0.000 1.873 250 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 250 A C 2.420 180.015 177.584 0.019 0.000 1.186 250 A CA 1.596 53.639 52.037 0.010 0.000 0.616 250 A CB -1.226 17.788 19.000 0.023 0.000 0.823 250 A HN 0.425 nan 8.150 nan 0.000 0.442 251 G N -0.230 108.619 108.800 0.082 0.000 2.469 251 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 251 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 251 G C 1.419 176.316 174.900 -0.005 0.000 1.136 251 G CA 1.076 46.126 45.100 -0.084 0.000 0.759 251 G HN 0.440 nan 8.290 nan 0.000 0.562 252 L N 0.399 121.654 121.223 0.053 0.000 2.552 252 L HA 0.179 4.519 4.340 -0.000 0.000 0.227 252 L C 2.053 178.916 176.870 -0.013 0.000 1.146 252 L CA 0.432 55.218 54.840 -0.089 0.000 0.858 252 L CB -0.269 41.573 42.059 -0.363 0.000 0.969 252 L HN 0.406 nan 8.230 nan 0.000 0.451 253 G N 0.989 109.787 108.800 -0.003 0.000 2.198 253 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 253 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 253 G C 0.054 174.943 174.900 -0.019 0.000 1.025 253 G CA -0.069 45.032 45.100 0.001 0.000 0.769 253 G HN 0.262 nan 8.290 nan 0.000 0.507 254 L N 0.447 121.640 121.223 -0.050 0.000 2.292 254 L HA 0.402 4.742 4.340 -0.000 0.000 0.284 254 L C 0.252 177.102 176.870 -0.033 0.000 1.065 254 L CA -0.978 53.830 54.840 -0.053 0.000 0.806 254 L CB 1.260 43.261 42.059 -0.095 0.000 1.175 254 L HN 0.096 nan 8.230 nan 0.000 0.431 255 D N 2.328 122.720 120.400 -0.014 0.000 2.338 255 D HA 0.163 4.803 4.640 -0.000 0.000 0.255 255 D C 0.871 177.177 176.300 0.010 0.000 1.237 255 D CA 0.031 54.030 54.000 -0.001 0.000 0.883 255 D CB 1.883 42.687 40.800 0.005 0.000 1.087 255 D HN 0.629 nan 8.370 nan 0.000 0.485 256 A N 4.285 127.116 122.820 0.018 0.000 1.948 256 A HA -0.177 4.142 4.320 -0.000 0.000 0.220 256 A C 2.066 179.683 177.584 0.054 0.000 1.177 256 A CA 1.989 54.055 52.037 0.049 0.000 0.636 256 A CB -0.518 18.518 19.000 0.060 0.000 0.815 256 A HN 0.664 nan 8.150 nan 0.000 0.449 257 A N -0.993 121.849 122.820 0.037 0.000 2.172 257 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 257 A C 1.715 179.319 177.584 0.033 0.000 1.154 257 A CA 1.321 53.378 52.037 0.033 0.000 0.701 257 A CB -0.218 18.796 19.000 0.024 0.000 0.789 257 A HN 0.533 nan 8.150 nan 0.000 0.465 258 E N -0.803 119.417 120.200 0.033 0.000 2.481 258 E HA 0.187 4.537 4.350 -0.000 0.000 0.198 258 E C -0.304 176.322 176.600 0.042 0.000 1.027 258 E CA -0.068 56.351 56.400 0.031 0.000 0.900 258 E CB 0.293 30.005 29.700 0.021 0.000 0.993 258 E HN 0.344 nan 8.360 nan 0.000 0.482 259 L N 1.708 122.966 121.223 0.059 0.000 2.334 259 L HA 0.431 4.771 4.340 -0.000 0.000 0.270 259 L C -2.264 174.664 176.870 0.097 0.000 1.018 259 L CA -1.977 52.915 54.840 0.085 0.000 0.811 259 L CB 1.045 43.172 42.059 0.112 0.000 1.271 259 L HN -0.198 nan 8.230 nan 0.000 0.443 260 P HA 0.251 nan 4.420 nan 0.000 0.272 260 P C -2.496 174.882 177.300 0.130 0.000 1.223 260 P CA -1.215 61.953 63.100 0.114 0.000 0.784 260 P CB -0.381 31.402 31.700 0.138 0.000 0.923 261 P HA -0.062 nan 4.420 nan 0.000 0.266 261 P C 1.070 178.417 177.300 0.077 0.000 1.186 261 P CA 0.190 63.327 63.100 0.063 0.000 0.767 261 P CB 0.345 32.060 31.700 0.024 0.000 0.820 262 Q N 2.085 121.844 119.800 -0.067 0.000 2.112 262 Q HA -0.240 4.100 4.340 -0.000 0.000 0.206 262 Q C 0.427 176.528 176.000 0.169 0.000 0.987 262 Q CA 1.924 57.568 55.803 -0.265 0.000 0.858 262 Q CB -0.151 28.040 28.738 -0.911 0.000 0.905 262 Q HN 0.482 nan 8.270 nan 0.000 0.420 263 N N 0.415 119.170 118.700 0.092 0.000 2.234 263 N HA 0.026 4.766 4.740 -0.000 0.000 0.227 263 N C -1.253 174.210 175.510 -0.077 0.000 1.151 263 N CA -0.189 52.946 53.050 0.141 0.000 0.865 263 N CB 0.667 39.182 38.487 0.047 0.000 1.066 263 N HN 0.080 nan 8.380 nan 0.000 0.515 264 D N 1.215 121.584 120.400 -0.051 0.000 2.416 264 D HA 0.076 4.716 4.640 -0.000 0.000 0.240 264 D C 0.960 177.026 176.300 -0.391 0.000 1.250 264 D CA 0.091 53.998 54.000 -0.154 0.000 0.967 264 D CB 0.372 41.147 40.800 -0.041 0.000 1.059 264 D HN 0.174 nan 8.370 nan 0.000 0.512 265 R N 2.550 122.623 120.500 -0.713 0.000 2.152 265 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 265 R C 1.971 177.997 176.300 -0.457 0.000 1.117 265 R CA 1.106 56.518 56.100 -1.147 0.000 0.981 265 R CB -0.083 29.520 30.300 -1.162 0.000 0.870 265 R HN 0.401 nan 8.270 nan 0.000 0.451 266 A N 1.366 124.029 122.820 -0.261 0.000 2.024 266 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 266 A C 1.650 179.220 177.584 -0.023 0.000 1.164 266 A CA 1.242 53.212 52.037 -0.112 0.000 0.643 266 A CB -0.147 18.800 19.000 -0.088 0.000 0.806 266 A HN 0.230 nan 8.150 nan 0.000 0.451 267 R N -2.435 118.073 120.500 0.014 0.000 2.586 267 R HA 0.093 4.433 4.340 -0.000 0.000 0.336 267 R C 0.672 177.127 176.300 0.258 0.000 1.060 267 R CA -0.478 55.687 56.100 0.109 0.000 1.079 267 R CB 0.059 30.416 30.300 0.095 0.000 1.317 267 R HN 0.585 nan 8.270 nan 0.000 0.568 268 W N 1.640 122.957 121.300 0.027 0.000 2.358 268 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 268 W C -0.987 175.556 176.519 0.039 0.000 1.208 268 W CA 0.794 58.160 57.345 0.035 0.000 1.274 268 W CB -1.495 27.966 29.460 0.003 0.000 1.138 268 W HN 0.076 nan 8.180 nan 0.000 0.515 269 P HA -0.225 nan 4.420 nan 0.000 0.215 269 P C 1.474 178.846 177.300 0.120 0.000 1.157 269 P CA 2.462 65.643 63.100 0.135 0.000 0.868 269 P CB -0.147 31.613 31.700 0.100 0.000 0.788 270 E N -0.643 119.633 120.200 0.125 0.000 2.033 270 E HA -0.233 4.117 4.350 -0.000 0.000 0.199 270 E C 1.900 178.575 176.600 0.124 0.000 1.011 270 E CA 1.072 57.538 56.400 0.109 0.000 0.815 270 E CB -0.701 29.060 29.700 0.101 0.000 0.755 270 E HN -0.067 nan 8.360 nan 0.000 0.451 271 L N 1.614 122.938 121.223 0.167 0.000 1.997 271 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 271 L C 2.586 179.542 176.870 0.143 0.000 1.074 271 L CA 2.460 57.404 54.840 0.175 0.000 0.763 271 L CB -0.789 41.419 42.059 0.248 0.000 0.890 271 L HN 0.119 nan 8.230 nan 0.000 0.434 272 R N -0.651 119.930 120.500 0.135 0.000 2.083 272 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 272 R C 2.169 178.579 176.300 0.184 0.000 1.137 272 R CA 1.630 57.833 56.100 0.171 0.000 0.951 272 R CB -0.558 29.795 30.300 0.088 0.000 0.851 272 R HN 0.490 nan 8.270 nan 0.000 0.434 273 A N 0.730 123.625 122.820 0.124 0.000 1.940 273 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 273 A C 2.172 179.807 177.584 0.085 0.000 1.176 273 A CA 1.459 53.557 52.037 0.102 0.000 0.631 273 A CB -0.506 18.539 19.000 0.076 0.000 0.814 273 A HN 0.395 nan 8.150 nan 0.000 0.446 274 L N -1.043 120.222 121.223 0.070 0.000 2.109 274 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 274 L C 2.468 179.320 176.870 -0.029 0.000 1.086 274 L CA 0.754 55.610 54.840 0.026 0.000 0.760 274 L CB -0.395 41.681 42.059 0.029 0.000 0.910 274 L HN 0.353 nan 8.230 nan 0.000 0.437 275 L N -1.102 120.103 121.223 -0.030 0.000 2.056 275 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 275 L C 2.593 179.380 176.870 -0.138 0.000 1.078 275 L CA 1.275 55.994 54.840 -0.201 0.000 0.749 275 L CB -0.960 40.938 42.059 -0.268 0.000 0.901 275 L HN 0.193 nan 8.230 nan 0.000 0.433 276 T N -0.737 113.903 114.554 0.143 0.000 2.684 276 T HA -0.281 4.069 4.350 -0.000 0.000 0.267 276 T C 1.789 176.581 174.700 0.153 0.000 1.036 276 T CA 1.838 64.111 62.100 0.288 0.000 1.148 276 T CB -0.196 68.839 68.868 0.278 0.000 0.863 276 T HN 0.420 nan 8.240 nan 0.000 0.436 277 E N 0.832 121.077 120.200 0.076 0.000 2.077 277 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 277 E C 2.392 179.006 176.600 0.024 0.000 0.989 277 E CA 1.018 57.447 56.400 0.048 0.000 0.800 277 E CB -0.220 29.496 29.700 0.027 0.000 0.746 277 E HN 0.476 nan 8.360 nan 0.000 0.452 278 A N 0.518 123.297 122.820 -0.068 0.000 1.858 278 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 278 A C 1.909 179.423 177.584 -0.116 0.000 1.190 278 A CA 1.434 53.370 52.037 -0.168 0.000 0.617 278 A CB -0.963 17.779 19.000 -0.431 0.000 0.827 278 A HN 0.365 nan 8.150 nan 0.000 0.443 279 F N 0.046 119.904 119.950 -0.152 0.000 2.293 279 F HA 0.024 4.551 4.527 -0.000 0.000 0.300 279 F C 2.658 178.637 175.800 0.298 0.000 1.086 279 F CA 0.737 58.673 58.000 -0.107 0.000 1.375 279 F CB -0.366 38.456 39.000 -0.297 0.000 1.045 279 F HN 0.248 nan 8.300 nan 0.000 0.516 280 A N -0.569 122.448 122.820 0.329 0.000 2.119 280 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 280 A C 2.205 179.875 177.584 0.143 0.000 1.153 280 A CA 1.355 53.528 52.037 0.226 0.000 0.692 280 A CB -0.934 18.153 19.000 0.145 0.000 0.799 280 A HN 0.353 nan 8.150 nan 0.000 0.458 281 S N -1.173 114.612 115.700 0.141 0.000 2.527 281 S HA 0.069 4.539 4.470 -0.000 0.000 0.222 281 S C 0.707 175.030 174.600 -0.462 0.000 0.985 281 S CA 0.024 58.157 58.200 -0.112 0.000 0.921 281 S CB -0.236 62.907 63.200 -0.094 0.000 0.772 281 S HN 0.620 nan 8.310 nan 0.000 0.529 282 H N 0.111 119.195 119.070 0.023 0.000 2.941 282 H HA 0.473 5.029 4.556 -0.000 0.000 0.344 282 H C -1.111 174.133 175.328 -0.141 0.000 1.235 282 H CA -0.826 55.008 56.048 -0.357 0.000 1.149 282 H CB 0.955 29.930 29.762 -1.313 0.000 1.885 282 H HN 0.164 nan 8.280 nan 0.000 0.558 283 D N 0.396 120.751 120.400 -0.075 0.000 2.360 283 D HA 0.038 4.677 4.640 -0.000 0.000 0.242 283 D C 1.503 177.846 176.300 0.072 0.000 1.184 283 D CA -0.204 53.800 54.000 0.008 0.000 0.930 283 D CB 1.385 42.178 40.800 -0.012 0.000 1.161 283 D HN 0.438 nan 8.370 nan 0.000 0.447 284 R N 0.507 121.089 120.500 0.136 0.000 2.070 284 R HA -0.168 4.172 4.340 -0.000 0.000 0.233 284 R C 0.875 177.275 176.300 0.166 0.000 1.137 284 R CA 1.534 57.762 56.100 0.213 0.000 0.945 284 R CB -0.047 30.318 30.300 0.109 0.000 0.845 284 R HN 0.366 nan 8.270 nan 0.000 0.430 285 D N -0.362 120.078 120.400 0.068 0.000 2.133 285 D HA -0.231 4.409 4.640 -0.000 0.000 0.195 285 D C 1.815 178.111 176.300 -0.007 0.000 0.997 285 D CA 1.268 55.286 54.000 0.029 0.000 0.840 285 D CB -0.656 40.141 40.800 -0.006 0.000 0.947 285 D HN 0.409 nan 8.370 nan 0.000 0.452 286 H N -0.627 118.330 119.070 -0.188 0.000 2.319 286 H HA -0.175 4.381 4.556 -0.000 0.000 0.297 286 H C 2.025 177.148 175.328 -0.340 0.000 1.097 286 H CA 1.834 57.651 56.048 -0.385 0.000 1.285 286 H CB -0.498 28.878 29.762 -0.645 0.000 1.368 286 H HN 0.334 nan 8.280 nan 0.000 0.495 287 W N 0.505 121.949 121.300 0.239 0.000 2.408 287 W HA -0.009 4.651 4.660 -0.000 0.000 0.311 287 W C 3.077 179.730 176.519 0.222 0.000 1.190 287 W CA 0.524 58.048 57.345 0.298 0.000 1.321 287 W CB -0.766 29.018 29.460 0.539 0.000 1.143 287 W HN 0.281 nan 8.180 nan 0.000 0.501 288 G N 0.898 109.920 108.800 0.370 0.000 2.597 288 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.222 288 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.222 288 G C 1.559 176.532 174.900 0.122 0.000 1.135 288 G CA 1.926 47.154 45.100 0.213 0.000 0.759 288 G HN 0.370 nan 8.290 nan 0.000 0.595 289 A N -0.677 122.147 122.820 0.007 0.000 2.030 289 A HA 0.379 4.699 4.320 -0.000 0.000 0.215 289 A C 2.527 180.012 177.584 -0.165 0.000 1.164 289 A CA 1.287 53.268 52.037 -0.093 0.000 0.697 289 A CB -0.131 18.772 19.000 -0.162 0.000 0.827 289 A HN 0.254 nan 8.150 nan 0.000 0.457 290 V N -1.312 118.450 119.914 -0.254 0.000 2.358 290 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 290 V C 1.641 177.480 176.094 -0.424 0.000 1.047 290 V CA 1.661 63.702 62.300 -0.432 0.000 1.035 290 V CB -0.742 30.721 31.823 -0.599 0.000 0.658 290 V HN 0.622 nan 8.190 nan 0.000 0.452 291 F N -0.545 119.450 119.950 0.076 0.000 2.647 291 F HA 0.452 4.979 4.527 -0.000 0.000 0.300 291 F C 1.898 177.703 175.800 0.008 0.000 1.106 291 F CA 0.378 58.408 58.000 0.050 0.000 1.313 291 F CB -0.273 38.778 39.000 0.086 0.000 1.007 291 F HN 0.028 nan 8.300 nan 0.000 0.536 292 A N 0.361 123.243 122.820 0.104 0.000 1.978 292 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 292 A C 2.109 179.708 177.584 0.024 0.000 1.170 292 A CA 1.913 53.979 52.037 0.048 0.000 0.636 292 A CB -0.361 18.641 19.000 0.004 0.000 0.810 292 A HN 0.462 nan 8.150 nan 0.000 0.448 293 N N -1.233 117.482 118.700 0.025 0.000 2.257 293 N HA 0.026 4.766 4.740 -0.000 0.000 0.200 293 N C 0.706 176.225 175.510 0.014 0.000 1.163 293 N CA 0.657 53.711 53.050 0.006 0.000 0.891 293 N CB 0.446 38.931 38.487 -0.003 0.000 1.067 293 N HN 0.534 nan 8.380 nan 0.000 0.497 294 S N -0.085 115.647 115.700 0.053 0.000 2.661 294 S HA 0.192 4.662 4.470 -0.000 0.000 0.265 294 S C 0.317 174.927 174.600 0.017 0.000 1.225 294 S CA -0.196 58.043 58.200 0.065 0.000 0.986 294 S CB 1.185 64.471 63.200 0.142 0.000 1.008 294 S HN -0.068 nan 8.310 nan 0.000 0.565 295 D N 0.405 120.806 120.400 0.001 0.000 2.370 295 D HA 0.382 5.022 4.640 -0.000 0.000 0.230 295 D C 1.431 177.644 176.300 -0.145 0.000 1.143 295 D CA 0.301 54.208 54.000 -0.156 0.000 0.834 295 D CB -0.177 40.562 40.800 -0.102 0.000 0.944 295 D HN 0.620 nan 8.370 nan 0.000 0.504 296 A N -0.511 122.302 122.820 -0.012 0.000 2.172 296 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 296 A C 1.462 178.944 177.584 -0.170 0.000 1.154 296 A CA 0.218 52.228 52.037 -0.046 0.000 0.701 296 A CB -0.522 18.454 19.000 -0.041 0.000 0.789 296 A HN 0.422 nan 8.150 nan 0.000 0.465 297 C N -1.324 117.855 119.300 -0.201 0.000 4.350 297 C HA -0.097 4.363 4.460 -0.000 0.000 0.302 297 C C 0.289 175.146 174.990 -0.221 0.000 1.390 297 C CA 0.100 58.999 59.018 -0.198 0.000 2.016 297 C CB -3.339 24.318 27.740 -0.137 0.000 1.271 297 C HN 0.421 nan 8.230 nan 0.000 0.760 298 V N 1.084 120.834 119.914 -0.274 0.000 2.378 298 V HA 0.767 4.887 4.120 -0.000 0.000 0.288 298 V C 0.426 176.456 176.094 -0.107 0.000 1.016 298 V CA 0.386 62.500 62.300 -0.311 0.000 0.840 298 V CB 2.099 33.482 31.823 -0.733 0.000 0.994 298 V HN 0.614 nan 8.190 nan 0.000 0.431 299 T N 3.243 117.741 114.554 -0.094 0.000 2.900 299 T HA 0.646 4.996 4.350 -0.000 0.000 0.295 299 T C -3.109 171.585 174.700 -0.010 0.000 1.044 299 T CA -2.399 59.684 62.100 -0.028 0.000 0.995 299 T CB 2.465 71.300 68.868 -0.056 0.000 1.072 299 T HN 0.404 nan 8.240 nan 0.000 0.473 300 P HA 0.170 nan 4.420 nan 0.000 0.268 300 P C -0.315 176.988 177.300 0.006 0.000 1.204 300 P CA -0.304 62.819 63.100 0.039 0.000 0.768 300 P CB 0.544 32.270 31.700 0.043 0.000 0.842 301 V N 5.585 125.512 119.914 0.022 0.000 2.356 301 V HA 0.078 4.198 4.120 -0.000 0.000 0.258 301 V C 0.836 176.930 176.094 -0.001 0.000 1.065 301 V CA -0.089 62.215 62.300 0.007 0.000 0.935 301 V CB -0.434 31.422 31.823 0.055 0.000 1.061 301 V HN 0.366 nan 8.190 nan 0.000 0.484 302 L N 4.317 125.514 121.223 -0.043 0.000 2.350 302 L HA 0.619 4.959 4.340 -0.000 0.000 0.275 302 L C 0.855 177.654 176.870 -0.118 0.000 1.099 302 L CA -0.203 54.600 54.840 -0.061 0.000 0.808 302 L CB 1.070 43.092 42.059 -0.061 0.000 1.149 302 L HN 0.636 nan 8.230 nan 0.000 0.442 303 A N 2.337 125.099 122.820 -0.097 0.000 2.351 303 A HA 0.316 4.636 4.320 -0.000 0.000 0.257 303 A C 0.870 178.387 177.584 -0.111 0.000 1.087 303 A CA -0.219 51.736 52.037 -0.137 0.000 0.798 303 A CB 0.085 19.062 19.000 -0.039 0.000 1.033 303 A HN 0.724 nan 8.150 nan 0.000 0.488 304 F N 1.430 121.365 119.950 -0.025 0.000 2.085 304 F HA -0.262 4.265 4.527 -0.000 0.000 0.299 304 F C 2.520 178.273 175.800 -0.079 0.000 1.096 304 F CA 1.914 59.877 58.000 -0.061 0.000 1.227 304 F CB -0.328 38.649 39.000 -0.039 0.000 0.983 304 F HN 0.683 nan 8.300 nan 0.000 0.482 305 G N -0.862 108.039 108.800 0.168 0.000 2.509 305 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.218 305 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.218 305 G C 1.318 176.280 174.900 0.104 0.000 1.124 305 G CA 0.536 45.715 45.100 0.132 0.000 0.776 305 G HN 0.377 nan 8.290 nan 0.000 0.547 306 E N -0.277 119.920 120.200 -0.005 0.000 2.385 306 E HA 0.077 4.426 4.350 -0.000 0.000 0.194 306 E C 2.434 178.896 176.600 -0.230 0.000 1.013 306 E CA -0.213 56.113 56.400 -0.124 0.000 0.866 306 E CB 0.332 29.977 29.700 -0.092 0.000 0.832 306 E HN 0.259 nan 8.360 nan 0.000 0.500 307 V N 2.466 122.274 119.914 -0.176 0.000 2.392 307 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 307 V C 2.380 178.276 176.094 -0.330 0.000 1.059 307 V CA 2.108 64.282 62.300 -0.210 0.000 1.051 307 V CB -0.810 30.894 31.823 -0.199 0.000 0.658 307 V HN 0.546 nan 8.190 nan 0.000 0.455 308 H N -0.686 118.056 119.070 -0.546 0.000 2.561 308 H HA -0.023 4.533 4.556 -0.000 0.000 0.278 308 H C 1.497 176.577 175.328 -0.414 0.000 1.014 308 H CA 1.212 56.788 56.048 -0.786 0.000 1.211 308 H CB -0.277 28.589 29.762 -1.493 0.000 1.365 308 H HN 0.387 nan 8.280 nan 0.000 0.594 309 N N 0.759 119.024 118.700 -0.726 0.000 2.373 309 N HA -0.040 4.700 4.740 -0.000 0.000 0.181 309 N C 0.080 175.455 175.510 -0.225 0.000 1.082 309 N CA 0.217 52.984 53.050 -0.473 0.000 0.885 309 N CB 0.325 38.541 38.487 -0.453 0.000 0.977 309 N HN 0.418 nan 8.380 nan 0.000 0.462 310 E N 1.136 121.228 120.200 -0.181 0.000 2.223 310 E HA 0.162 4.512 4.350 -0.000 0.000 0.282 310 E C -1.714 174.870 176.600 -0.027 0.000 1.046 310 E CA -1.981 54.374 56.400 -0.076 0.000 0.857 310 E CB 1.335 31.012 29.700 -0.038 0.000 1.055 310 E HN 0.004 nan 8.360 nan 0.000 0.409 311 P HA -0.197 nan 4.420 nan 0.000 0.215 311 P C 0.687 178.020 177.300 0.056 0.000 1.157 311 P CA 1.393 64.506 63.100 0.022 0.000 0.874 311 P CB 0.039 31.757 31.700 0.030 0.000 0.790 312 H N -0.871 118.194 119.070 -0.007 0.000 2.387 312 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 312 H C 1.802 177.138 175.328 0.014 0.000 1.090 312 H CA 1.301 57.350 56.048 0.002 0.000 1.332 312 H CB -0.600 29.162 29.762 -0.000 0.000 1.386 312 H HN -0.056 nan 8.280 nan 0.000 0.516 313 I N 0.037 120.641 120.570 0.057 0.000 2.202 313 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 313 I C 2.330 178.453 176.117 0.010 0.000 1.091 313 I CA 1.125 62.452 61.300 0.046 0.000 1.368 313 I CB -0.960 37.109 38.000 0.116 0.000 1.058 313 I HN 0.326 nan 8.210 nan 0.000 0.410 314 I N 0.638 121.204 120.570 -0.006 0.000 2.179 314 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 314 I C 2.550 178.671 176.117 0.006 0.000 1.088 314 I CA 1.296 62.600 61.300 0.007 0.000 1.357 314 I CB -0.431 37.569 38.000 -0.001 0.000 1.051 314 I HN 0.236 nan 8.210 nan 0.000 0.409 315 E N 0.723 120.902 120.200 -0.035 0.000 2.110 315 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 315 E C 2.103 178.660 176.600 -0.072 0.000 0.988 315 E CA 1.055 57.426 56.400 -0.048 0.000 0.804 315 E CB -0.022 29.639 29.700 -0.065 0.000 0.745 315 E HN 0.476 nan 8.360 nan 0.000 0.458 316 R N 0.256 120.676 120.500 -0.134 0.000 2.317 316 R HA 0.112 4.452 4.340 -0.000 0.000 0.208 316 R C 0.007 176.272 176.300 -0.059 0.000 0.914 316 R CA -0.055 55.964 56.100 -0.135 0.000 1.060 316 R CB 0.069 30.213 30.300 -0.261 0.000 1.015 316 R HN 0.187 nan 8.270 nan 0.000 0.498 317 N N 1.136 119.834 118.700 -0.002 0.000 2.688 317 N HA -0.169 4.571 4.740 -0.000 0.000 0.258 317 N C -0.025 175.506 175.510 0.035 0.000 1.016 317 N CA 0.494 53.587 53.050 0.072 0.000 0.747 317 N CB -0.556 37.984 38.487 0.090 0.000 0.895 317 N HN 0.214 nan 8.380 nan 0.000 0.543 318 T N -0.754 113.779 114.554 -0.036 0.000 2.915 318 T HA -0.026 4.324 4.350 -0.000 0.000 0.269 318 T C 0.442 174.879 174.700 -0.438 0.000 1.071 318 T CA 1.155 63.103 62.100 -0.253 0.000 1.132 318 T CB 0.031 68.699 68.868 -0.334 0.000 0.878 318 T HN 0.298 nan 8.240 nan 0.000 0.479 319 F N 0.199 120.266 119.950 0.196 0.000 2.577 319 F HA 0.564 5.091 4.527 -0.000 0.000 0.318 319 F C -0.457 175.654 175.800 0.519 0.000 1.065 319 F CA -1.872 56.321 58.000 0.321 0.000 0.929 319 F CB 1.523 40.700 39.000 0.295 0.000 1.237 319 F HN 0.057 nan 8.300 nan 0.000 0.468 320 Y N -1.632 118.980 120.300 0.519 0.000 2.570 320 Y HA 0.666 5.216 4.550 -0.000 0.000 0.345 320 Y C -0.902 175.014 175.900 0.027 0.000 1.014 320 Y CA -1.487 56.782 58.100 0.282 0.000 1.063 320 Y CB 0.882 39.412 38.460 0.116 0.000 1.272 320 Y HN 0.521 nan 8.280 nan 0.000 0.477 321 E N 1.604 121.578 120.200 -0.377 0.000 2.313 321 E HA 0.589 4.939 4.350 -0.000 0.000 0.276 321 E C -0.759 175.650 176.600 -0.318 0.000 1.031 321 E CA -0.390 55.583 56.400 -0.712 0.000 0.857 321 E CB 1.333 30.556 29.700 -0.794 0.000 1.040 321 E HN 0.821 nan 8.360 nan 0.000 0.408 322 A N 3.137 125.746 122.820 -0.352 0.000 2.557 322 A HA 0.447 4.767 4.320 -0.000 0.000 0.292 322 A C -0.163 177.321 177.584 -0.167 0.000 1.139 322 A CA -0.452 51.487 52.037 -0.164 0.000 0.665 322 A CB 0.572 19.546 19.000 -0.043 0.000 1.285 322 A HN 0.868 nan 8.150 nan 0.000 0.433 323 N N -0.701 117.943 118.700 -0.094 0.000 1.067 323 N HA -0.359 4.381 4.740 -0.000 0.000 0.125 323 N C 1.287 176.730 175.510 -0.113 0.000 0.596 323 N CA 1.830 54.831 53.050 -0.082 0.000 0.839 323 N CB -1.020 37.429 38.487 -0.064 0.000 1.300 323 N HN 1.319 nan 8.380 nan 0.000 0.629 324 G N -0.856 107.883 108.800 -0.102 0.000 2.432 324 G HA2 0.292 4.252 3.960 -0.000 0.000 0.219 324 G HA3 0.292 4.252 3.960 -0.000 0.000 0.219 324 G C 0.688 175.498 174.900 -0.150 0.000 1.135 324 G CA 1.555 46.593 45.100 -0.103 0.000 0.767 324 G HN 0.904 nan 8.290 nan 0.000 0.550 325 G N -1.692 106.985 108.800 -0.205 0.000 2.947 325 G HA2 0.378 4.338 3.960 -0.000 0.000 0.115 325 G HA3 0.378 4.338 3.960 -0.000 0.000 0.115 325 G C -1.605 173.028 174.900 -0.445 0.000 1.214 325 G CA -0.798 44.111 45.100 -0.318 0.000 1.324 325 G HN 0.135 nan 8.290 nan 0.000 0.645 326 W N 1.609 122.778 121.300 -0.218 0.000 2.438 326 W HA 0.793 5.453 4.660 -0.000 0.000 0.324 326 W C 0.072 176.456 176.519 -0.225 0.000 1.119 326 W CA -0.259 56.944 57.345 -0.236 0.000 1.221 326 W CB 1.474 30.765 29.460 -0.281 0.000 1.253 326 W HN 0.164 nan 8.180 nan 0.000 0.555 327 Q N 3.316 123.079 119.800 -0.062 0.000 2.389 327 Q HA 0.357 4.696 4.340 -0.000 0.000 0.277 327 Q C -2.502 173.579 176.000 0.134 0.000 1.082 327 Q CA -2.077 53.645 55.803 -0.134 0.000 0.810 327 Q CB 2.544 30.905 28.738 -0.629 0.000 1.374 327 Q HN 0.123 nan 8.270 nan 0.000 0.422 328 P HA 0.131 nan 4.420 nan 0.000 0.276 328 P C -0.250 177.173 177.300 0.206 0.000 1.230 328 P CA -0.298 62.828 63.100 0.043 0.000 0.776 328 P CB 0.635 32.335 31.700 0.001 0.000 0.888 329 M N 3.874 123.552 119.600 0.130 0.000 2.232 329 M HA 0.220 4.700 4.480 -0.000 0.000 0.321 329 M C -1.866 174.460 176.300 0.043 0.000 1.101 329 M CA -1.920 53.470 55.300 0.150 0.000 1.181 329 M CB -1.169 31.470 32.600 0.066 0.000 1.432 329 M HN 0.182 nan 8.290 nan 0.000 0.457 330 P HA 0.080 nan 4.420 nan 0.000 0.264 330 P C -1.260 176.043 177.300 0.005 0.000 1.173 330 P CA 0.319 63.432 63.100 0.022 0.000 0.761 330 P CB 0.385 32.106 31.700 0.035 0.000 0.794 331 A N 4.053 126.874 122.820 0.001 0.000 2.435 331 A HA 0.765 5.085 4.320 -0.000 0.000 0.304 331 A C -2.387 175.188 177.584 -0.016 0.000 1.064 331 A CA -1.244 50.770 52.037 -0.039 0.000 0.727 331 A CB 0.774 19.741 19.000 -0.054 0.000 1.284 331 A HN 0.381 nan 8.150 nan 0.000 0.415 332 P HA 0.474 nan 4.420 nan 0.000 0.312 332 P C -0.844 176.183 177.300 -0.456 0.000 1.308 332 P CA -0.474 62.459 63.100 -0.278 0.000 0.743 332 P CB 0.564 32.051 31.700 -0.356 0.000 1.364 333 R N -0.933 119.257 120.500 -0.517 0.000 2.598 333 R HA 0.611 4.951 4.340 -0.000 0.000 0.279 333 R C -0.733 175.152 176.300 -0.693 0.000 0.984 333 R CA -0.389 55.459 56.100 -0.420 0.000 0.999 333 R CB 0.685 30.875 30.300 -0.183 0.000 1.114 333 R HN 0.374 nan 8.270 nan 0.000 0.493 334 F N -0.164 119.773 119.950 -0.022 0.000 2.518 334 F HA 0.157 4.684 4.527 -0.000 0.000 0.323 334 F C 1.414 177.206 175.800 -0.015 0.000 1.129 334 F CA -0.760 57.229 58.000 -0.018 0.000 0.920 334 F CB 2.115 41.104 39.000 -0.018 0.000 1.160 334 F HN 0.589 nan 8.300 nan 0.000 0.440 335 S N 1.887 117.663 115.700 0.128 0.000 2.406 335 S HA -0.102 4.368 4.470 -0.000 0.000 0.228 335 S C 1.840 176.484 174.600 0.073 0.000 1.020 335 S CA 1.015 59.258 58.200 0.072 0.000 0.965 335 S CB -0.048 63.177 63.200 0.042 0.000 0.798 335 S HN 0.767 nan 8.310 nan 0.000 0.488 336 R N 1.431 121.986 120.500 0.090 0.000 2.102 336 R HA 0.078 4.418 4.340 -0.000 0.000 0.208 336 R C 0.254 176.579 176.300 0.041 0.000 1.131 336 R CA 1.274 57.406 56.100 0.054 0.000 1.054 336 R CB -0.044 30.281 30.300 0.042 0.000 0.954 336 R HN 0.502 nan 8.270 nan 0.000 0.465 337 T N -0.293 114.286 114.554 0.042 0.000 3.281 337 T HA 0.624 4.974 4.350 -0.000 0.000 0.359 337 T C -0.220 174.487 174.700 0.012 0.000 1.459 337 T CA -0.670 61.421 62.100 -0.014 0.000 1.114 337 T CB 1.190 70.001 68.868 -0.095 0.000 1.162 337 T HN 0.274 nan 8.240 nan 0.000 0.665 338 A N 3.020 125.871 122.820 0.051 0.000 2.401 338 A HA 0.592 4.912 4.320 -0.000 0.000 0.259 338 A C 0.799 178.409 177.584 0.042 0.000 1.103 338 A CA -0.595 51.499 52.037 0.094 0.000 0.789 338 A CB 0.106 19.145 19.000 0.066 0.000 1.035 338 A HN 0.757 nan 8.150 nan 0.000 0.491 339 S N 1.291 117.040 115.700 0.081 0.000 2.573 339 S HA 0.254 4.724 4.470 -0.000 0.000 0.277 339 S C 0.836 175.430 174.600 -0.010 0.000 1.346 339 S CA -0.266 57.947 58.200 0.021 0.000 1.034 339 S CB 0.519 63.752 63.200 0.056 0.000 0.879 339 S HN 0.776 nan 8.310 nan 0.000 0.528 340 S N 1.333 117.008 115.700 -0.040 0.000 2.669 340 S HA 0.214 4.684 4.470 -0.000 0.000 0.270 340 S C 0.139 174.670 174.600 -0.114 0.000 1.225 340 S CA -0.714 57.447 58.200 -0.064 0.000 0.991 340 S CB 0.621 63.784 63.200 -0.061 0.000 0.987 340 S HN 0.737 nan 8.310 nan 0.000 0.552 341 Q N 1.352 121.054 119.800 -0.162 0.000 2.300 341 Q HA 0.096 4.436 4.340 -0.000 0.000 0.280 341 Q C -2.387 173.433 176.000 -0.300 0.000 1.033 341 Q CA -1.237 54.373 55.803 -0.322 0.000 0.903 341 Q CB 0.056 28.598 28.738 -0.327 0.000 1.195 341 Q HN 0.202 nan 8.270 nan 0.000 0.386 342 P HA -0.018 nan 4.420 nan 0.000 0.266 342 P C -1.010 176.225 177.300 -0.109 0.000 1.195 342 P CA 0.452 63.445 63.100 -0.177 0.000 0.768 342 P CB 0.456 32.108 31.700 -0.079 0.000 0.838 343 R N 4.428 124.901 120.500 -0.046 0.000 2.389 343 R HA 0.257 4.597 4.340 -0.000 0.000 0.295 343 R C -2.059 174.251 176.300 0.017 0.000 1.075 343 R CA -1.530 54.559 56.100 -0.018 0.000 1.005 343 R CB -0.219 30.072 30.300 -0.014 0.000 0.987 343 R HN 0.395 nan 8.270 nan 0.000 0.452 344 P HA 0.051 nan 4.420 nan 0.000 0.270 344 P C -2.391 174.924 177.300 0.025 0.000 1.223 344 P CA -1.126 61.998 63.100 0.041 0.000 0.785 344 P CB -0.039 31.679 31.700 0.030 0.000 0.923 345 P HA 0.188 nan 4.420 nan 0.000 0.266 345 P C -0.772 176.533 177.300 0.008 0.000 1.195 345 P CA 0.566 63.676 63.100 0.016 0.000 0.768 345 P CB 0.283 31.994 31.700 0.017 0.000 0.838 346 A N 2.405 125.226 122.820 0.002 0.000 2.430 346 A HA 0.769 5.089 4.320 -0.000 0.000 0.300 346 A C -0.306 177.274 177.584 -0.006 0.000 1.124 346 A CA -0.582 51.454 52.037 -0.003 0.000 0.766 346 A CB 1.033 20.029 19.000 -0.006 0.000 1.328 346 A HN 0.565 nan 8.150 nan 0.000 0.424 347 A N 0.256 123.071 122.820 -0.008 0.000 2.583 347 A HA 0.441 4.761 4.320 -0.000 0.000 0.231 347 A C 0.720 178.295 177.584 -0.015 0.000 1.065 347 A CA 0.822 52.853 52.037 -0.010 0.000 0.760 347 A CB -0.651 18.342 19.000 -0.011 0.000 1.001 347 A HN 0.971 nan 8.150 nan 0.000 0.509 348 T N 1.974 116.519 114.554 -0.015 0.000 2.916 348 T HA 0.422 4.772 4.350 -0.000 0.000 0.303 348 T C 0.344 175.027 174.700 -0.027 0.000 1.025 348 T CA 0.584 62.671 62.100 -0.021 0.000 1.142 348 T CB -0.286 68.572 68.868 -0.016 0.000 0.947 348 T HN 0.418 nan 8.240 nan 0.000 0.544 349 I N 0.920 121.467 120.570 -0.039 0.000 2.863 349 I HA 0.449 4.619 4.170 -0.000 0.000 0.311 349 I C 0.187 176.271 176.117 -0.054 0.000 1.026 349 I CA -1.365 59.908 61.300 -0.046 0.000 1.077 349 I CB 1.065 39.032 38.000 -0.056 0.000 1.262 349 I HN 0.344 nan 8.210 nan 0.000 0.461 350 D N 2.230 122.599 120.400 -0.052 0.000 2.383 350 D HA 0.057 4.697 4.640 -0.000 0.000 0.252 350 D C 0.811 177.066 176.300 -0.075 0.000 1.166 350 D CA 0.161 54.130 54.000 -0.053 0.000 0.879 350 D CB 1.068 41.843 40.800 -0.042 0.000 1.164 350 D HN 0.635 nan 8.370 nan 0.000 0.462 351 I N 3.497 124.021 120.570 -0.076 0.000 2.335 351 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 351 I C 1.586 177.640 176.117 -0.105 0.000 1.129 351 I CA 1.307 62.545 61.300 -0.102 0.000 1.402 351 I CB 0.195 38.148 38.000 -0.079 0.000 1.069 351 I HN 0.427 nan 8.210 nan 0.000 0.424 352 E N 1.099 121.256 120.200 -0.071 0.000 2.110 352 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 352 E C 2.279 178.840 176.600 -0.065 0.000 0.988 352 E CA 1.302 57.668 56.400 -0.056 0.000 0.804 352 E CB -0.331 29.348 29.700 -0.035 0.000 0.745 352 E HN 0.692 nan 8.360 nan 0.000 0.458 353 A N 1.235 124.012 122.820 -0.072 0.000 1.902 353 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 353 A C 2.622 180.142 177.584 -0.107 0.000 1.181 353 A CA 1.367 53.362 52.037 -0.071 0.000 0.623 353 A CB -0.720 18.241 19.000 -0.064 0.000 0.818 353 A HN 0.121 nan 8.150 nan 0.000 0.443 354 V N -0.014 119.791 119.914 -0.181 0.000 2.287 354 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 354 V C 2.566 178.474 176.094 -0.310 0.000 1.053 354 V CA 2.007 64.102 62.300 -0.341 0.000 1.027 354 V CB -0.728 30.805 31.823 -0.483 0.000 0.646 354 V HN 0.585 nan 8.190 nan 0.000 0.447 355 L N -0.490 120.624 121.223 -0.181 0.000 2.042 355 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 355 L C 2.644 179.532 176.870 0.031 0.000 1.076 355 L CA 2.154 56.965 54.840 -0.048 0.000 0.749 355 L CB -0.739 41.304 42.059 -0.028 0.000 0.893 355 L HN 0.382 nan 8.230 nan 0.000 0.432 356 T N -1.275 113.281 114.554 0.004 0.000 2.708 356 T HA -0.232 4.118 4.350 -0.000 0.000 0.266 356 T C 1.448 176.184 174.700 0.061 0.000 1.037 356 T CA 1.654 63.771 62.100 0.028 0.000 1.146 356 T CB -0.272 68.600 68.868 0.007 0.000 0.865 356 T HN 0.387 nan 8.240 nan 0.000 0.435 357 D N 0.003 120.431 120.400 0.046 0.000 2.106 357 D HA -0.155 4.485 4.640 -0.000 0.000 0.191 357 D C 1.318 177.770 176.300 0.253 0.000 0.997 357 D CA 1.126 55.187 54.000 0.101 0.000 0.834 357 D CB -0.210 40.611 40.800 0.035 0.000 0.956 357 D HN 0.403 nan 8.370 nan 0.000 0.448 358 W N 0.888 122.183 121.300 -0.008 0.000 3.077 358 W HA 0.166 4.826 4.660 -0.000 0.000 0.245 358 W C 0.450 176.964 176.519 -0.008 0.000 1.316 358 W CA 1.039 58.378 57.345 -0.009 0.000 1.537 358 W CB -0.682 28.773 29.460 -0.009 0.000 1.131 358 W HN 0.218 nan 8.180 nan 0.000 0.695 359 D N -3.391 117.124 120.400 0.192 0.000 2.837 359 D HA -0.182 4.458 4.640 -0.000 0.000 0.195 359 D C 1.193 177.550 176.300 0.095 0.000 1.033 359 D CA 1.399 55.462 54.000 0.106 0.000 1.021 359 D CB -1.524 39.317 40.800 0.068 0.000 1.101 359 D HN 0.232 nan 8.370 nan 0.000 0.431 360 G N 0.000 108.882 108.800 0.136 0.000 5.446 360 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 360 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 360 G CA 0.000 45.166 45.100 0.109 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925