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 3e1t_1_A DATA FIRST_RESID 5 DATA SEQUENCE PEVFDLIVIG GGPGGSTLAS FVAMRGHRVL LLEREAFPRH QIGESLLPAT DATA SEQUENCE VHGICAMLGL TDEMKRAGFP IKRGGTFRWG KEPEPWTFGF TRHPDDPYGF DATA SEQUENCE AYQVERARFD DMLLRNSERK GVDVRERHEV IDVLFEGERA VGVRYRNTEG DATA SEQUENCE VELMAHARFI VDASGNRTRV SQAVGERVYS RFFQNVALYG YFENGKRLPA DATA SEQUENCE PRQGNILSAA FQDGWFWYIP LSDTLTSVGA VVSREAAEAI KDGHEAALLR DATA SEQUENCE YIDRCPIIKE YLAPATRVTT GDYGEIRIRK DYSYCNTSFW KNGMALVGDA DATA SEQUENCE ACFVDPVFSS GVHLATYSAL LVARAINTCL AGEMSEQRCF EEFERRYRRE DATA SEQUENCE YGNFYQFLVA FYDMNQDTDS YFWSARKIIN TEERANEAFV RLIAGRSNLD DATA SEQUENCE EPVFQSXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXNFMQG FTREITELQH LAMFGXXXXX XXXXXXXXLV PSRDGLAWA 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.220 177.300 -0.133 0.000 1.155 5 P CA 0.000 63.036 63.100 -0.106 0.000 0.800 5 P CB 0.000 31.588 31.700 -0.187 0.000 0.726 6 E N 0.346 120.494 120.200 -0.087 0.000 2.398 6 E HA 0.365 4.716 4.350 0.001 0.000 0.263 6 E C -0.369 176.135 176.600 -0.160 0.000 1.046 6 E CA -0.678 55.652 56.400 -0.117 0.000 0.908 6 E CB 1.723 31.430 29.700 0.011 0.000 0.963 6 E HN 0.241 nan 8.360 nan 0.000 0.431 7 V N 4.248 123.964 119.914 -0.329 0.000 2.495 7 V HA 0.516 4.637 4.120 0.001 0.000 0.298 7 V C -1.412 174.404 176.094 -0.464 0.000 1.031 7 V CA -0.368 61.813 62.300 -0.198 0.000 0.871 7 V CB 0.395 32.176 31.823 -0.070 0.000 0.988 7 V HN 0.538 nan 8.190 nan 0.000 0.432 8 F N 3.262 123.231 119.950 0.033 0.000 2.654 8 F HA 0.556 5.084 4.527 0.001 0.000 0.334 8 F C 1.165 176.992 175.800 0.045 0.000 1.078 8 F CA -0.747 57.273 58.000 0.033 0.000 0.986 8 F CB 1.582 40.594 39.000 0.019 0.000 1.362 8 F HN 0.433 nan 8.300 nan 0.000 0.498 9 D N 0.223 120.790 120.400 0.278 0.000 2.213 9 D HA 0.067 4.708 4.640 0.001 0.000 0.205 9 D C -0.209 176.237 176.300 0.243 0.000 0.961 9 D CA 1.321 55.443 54.000 0.204 0.000 0.853 9 D CB 0.658 41.563 40.800 0.176 0.000 0.967 9 D HN 0.113 nan 8.370 nan 0.000 0.496 10 L N 0.416 121.773 121.223 0.223 0.000 2.493 10 L HA 0.402 4.743 4.340 0.001 0.000 0.265 10 L C -1.825 175.063 176.870 0.030 0.000 0.954 10 L CA -0.539 54.398 54.840 0.161 0.000 0.844 10 L CB 2.261 44.388 42.059 0.113 0.000 1.302 10 L HN -0.245 nan 8.230 nan 0.000 0.405 11 I N 5.261 125.832 120.570 0.002 0.000 2.362 11 I HA 0.523 4.694 4.170 0.001 0.000 0.289 11 I C -0.719 175.350 176.117 -0.080 0.000 0.994 11 I CA -0.874 60.356 61.300 -0.116 0.000 1.158 11 I CB 1.914 39.851 38.000 -0.105 0.000 1.315 11 I HN 0.279 nan 8.210 nan 0.000 0.451 12 V N 7.376 127.213 119.914 -0.128 0.000 2.398 12 V HA 0.399 4.520 4.120 0.001 0.000 0.286 12 V C 0.169 176.199 176.094 -0.107 0.000 1.026 12 V CA -0.510 61.733 62.300 -0.095 0.000 0.868 12 V CB 1.695 33.455 31.823 -0.104 0.000 0.982 12 V HN 0.466 nan 8.190 nan 0.000 0.443 13 I N 4.860 125.395 120.570 -0.058 0.000 2.287 13 I HA 0.694 4.865 4.170 0.001 0.000 0.290 13 I C 0.742 176.843 176.117 -0.026 0.000 1.069 13 I CA 0.023 61.297 61.300 -0.043 0.000 1.237 13 I CB 0.682 38.682 38.000 0.000 0.000 1.418 13 I HN 0.863 nan 8.210 nan 0.000 0.481 14 G N 3.527 112.298 108.800 -0.049 0.000 2.885 14 G HA2 0.075 4.036 3.960 0.001 0.000 0.685 14 G HA3 0.075 4.036 3.960 0.001 0.000 0.685 14 G C -0.068 174.804 174.900 -0.047 0.000 1.216 14 G CA -0.485 44.603 45.100 -0.020 0.000 0.790 14 G HN 0.855 nan 8.290 nan 0.000 0.631 15 G N 0.273 109.052 108.800 -0.035 0.000 3.899 15 G HA2 0.674 4.635 3.960 0.001 0.000 0.293 15 G HA3 0.674 4.635 3.960 0.001 0.000 0.293 15 G C 0.909 175.891 174.900 0.137 0.000 1.054 15 G CA 1.037 46.098 45.100 -0.066 0.000 0.846 15 G HN 1.364 nan 8.290 nan 0.000 0.525 16 G N 0.694 109.583 108.800 0.147 0.000 2.570 16 G HA2 0.389 4.350 3.960 0.001 0.000 0.276 16 G HA3 0.389 4.350 3.960 0.001 0.000 0.276 16 G C -0.898 174.036 174.900 0.055 0.000 1.346 16 G CA -0.735 44.446 45.100 0.135 0.000 1.034 16 G HN -0.016 nan 8.290 nan 0.000 0.512 17 P HA -0.066 nan 4.420 nan 0.000 0.216 17 P C 1.998 179.290 177.300 -0.013 0.000 1.150 17 P CA 1.692 64.803 63.100 0.019 0.000 0.837 17 P CB -0.037 31.733 31.700 0.118 0.000 0.786 18 G N -0.122 108.679 108.800 0.001 0.000 2.480 18 G HA2 -0.224 3.737 3.960 0.001 0.000 0.216 18 G HA3 -0.224 3.737 3.960 0.001 0.000 0.216 18 G C 1.816 176.682 174.900 -0.056 0.000 1.200 18 G CA 1.042 46.128 45.100 -0.024 0.000 0.782 18 G HN 0.352 nan 8.290 nan 0.000 0.554 19 G N 0.833 109.607 108.800 -0.043 0.000 2.433 19 G HA2 -0.175 3.786 3.960 0.001 0.000 0.216 19 G HA3 -0.175 3.786 3.960 0.001 0.000 0.216 19 G C 2.278 177.112 174.900 -0.109 0.000 1.186 19 G CA 2.137 47.196 45.100 -0.069 0.000 0.779 19 G HN 0.736 nan 8.290 nan 0.000 0.543 20 S N 0.135 115.768 115.700 -0.112 0.000 2.382 20 S HA -0.132 4.339 4.470 0.001 0.000 0.228 20 S C 2.241 176.709 174.600 -0.220 0.000 1.027 20 S CA 2.126 60.233 58.200 -0.155 0.000 0.991 20 S CB -0.863 62.256 63.200 -0.136 0.000 0.823 20 S HN 0.274 nan 8.310 nan 0.000 0.469 21 T N 2.892 117.305 114.554 -0.234 0.000 2.737 21 T HA 0.030 4.381 4.350 0.001 0.000 0.265 21 T C 1.713 176.167 174.700 -0.409 0.000 1.038 21 T CA 1.371 63.237 62.100 -0.390 0.000 1.144 21 T CB -0.618 68.088 68.868 -0.270 0.000 0.866 21 T HN 0.342 nan 8.240 nan 0.000 0.434 22 L N 1.717 122.826 121.223 -0.189 0.000 2.017 22 L HA 0.066 4.407 4.340 0.001 0.000 0.208 22 L C 2.607 179.420 176.870 -0.095 0.000 1.073 22 L CA 2.091 56.873 54.840 -0.096 0.000 0.745 22 L CB -1.265 40.734 42.059 -0.101 0.000 0.894 22 L HN 0.212 nan 8.230 nan 0.000 0.432 23 A N -0.930 121.815 122.820 -0.125 0.000 1.873 23 A HA -0.250 4.070 4.320 0.001 0.000 0.218 23 A C 2.373 179.898 177.584 -0.098 0.000 1.193 23 A CA 2.409 54.382 52.037 -0.107 0.000 0.629 23 A CB -1.264 17.656 19.000 -0.133 0.000 0.826 23 A HN 0.588 nan 8.150 nan 0.000 0.447 24 S N -0.644 114.952 115.700 -0.173 0.000 2.365 24 S HA -0.160 4.311 4.470 0.001 0.000 0.225 24 S C 1.619 176.185 174.600 -0.057 0.000 1.039 24 S CA 1.677 59.772 58.200 -0.175 0.000 1.033 24 S CB -0.550 62.461 63.200 -0.315 0.000 0.887 24 S HN 0.503 nan 8.310 nan 0.000 0.447 25 F N 1.102 121.006 119.950 -0.076 0.000 2.293 25 F HA 0.007 4.535 4.527 0.001 0.000 0.300 25 F C 2.251 178.013 175.800 -0.064 0.000 1.086 25 F CA -0.162 57.788 58.000 -0.084 0.000 1.375 25 F CB -0.941 37.986 39.000 -0.120 0.000 1.045 25 F HN 0.032 nan 8.300 nan 0.000 0.516 26 V N -0.709 119.288 119.914 0.139 0.000 2.446 26 V HA -0.100 4.021 4.120 0.001 0.000 0.244 26 V C 2.546 178.744 176.094 0.173 0.000 1.039 26 V CA 1.303 63.686 62.300 0.137 0.000 1.045 26 V CB -1.193 30.668 31.823 0.064 0.000 0.681 26 V HN 0.261 nan 8.190 nan 0.000 0.459 27 A N -0.273 122.602 122.820 0.092 0.000 1.933 27 A HA -0.232 4.089 4.320 0.001 0.000 0.218 27 A C 2.209 179.804 177.584 0.019 0.000 1.175 27 A CA 2.034 54.103 52.037 0.054 0.000 0.628 27 A CB -0.564 18.445 19.000 0.016 0.000 0.814 27 A HN 0.485 nan 8.150 nan 0.000 0.444 28 M N -1.550 118.072 119.600 0.035 0.000 2.346 28 M HA -0.122 4.359 4.480 0.001 0.000 0.263 28 M C 1.951 178.242 176.300 -0.016 0.000 1.064 28 M CA 1.123 56.437 55.300 0.024 0.000 1.083 28 M CB -0.057 32.592 32.600 0.081 0.000 1.399 28 M HN 0.173 nan 8.290 nan 0.000 0.435 29 R N 0.036 120.518 120.500 -0.030 0.000 2.334 29 R HA 0.165 4.506 4.340 0.001 0.000 0.216 29 R C 0.465 176.554 176.300 -0.351 0.000 0.905 29 R CA 0.372 56.398 56.100 -0.124 0.000 1.064 29 R CB -0.357 29.939 30.300 -0.007 0.000 1.046 29 R HN 0.415 nan 8.270 nan 0.000 0.508 30 G N 0.748 109.388 108.800 -0.267 0.000 2.325 30 G HA2 -0.241 3.720 3.960 0.001 0.000 0.248 30 G HA3 -0.241 3.720 3.960 0.001 0.000 0.248 30 G C -0.752 173.943 174.900 -0.342 0.000 1.108 30 G CA 0.093 45.037 45.100 -0.260 0.000 0.881 30 G HN 0.537 nan 8.290 nan 0.000 0.494 31 H N -0.951 118.139 119.070 0.033 0.000 2.710 31 H HA 0.677 5.234 4.556 0.001 0.000 0.361 31 H C 0.555 175.927 175.328 0.073 0.000 1.175 31 H CA -1.059 55.022 56.048 0.055 0.000 1.206 31 H CB 0.996 30.796 29.762 0.064 0.000 1.750 31 H HN 0.255 nan 8.280 nan 0.000 0.553 32 R N 1.465 122.115 120.500 0.250 0.000 2.210 32 R HA 0.316 4.657 4.340 0.001 0.000 0.338 32 R C -0.948 175.536 176.300 0.307 0.000 1.062 32 R CA -0.505 55.746 56.100 0.251 0.000 0.902 32 R CB 0.682 31.110 30.300 0.213 0.000 1.050 32 R HN 0.268 nan 8.270 nan 0.000 0.461 33 V N 4.712 124.749 119.914 0.206 0.000 2.656 33 V HA 0.482 4.603 4.120 0.001 0.000 0.307 33 V C -0.889 175.092 176.094 -0.188 0.000 1.051 33 V CA -0.947 61.376 62.300 0.039 0.000 0.893 33 V CB 1.901 33.726 31.823 0.004 0.000 0.999 33 V HN 0.693 nan 8.190 nan 0.000 0.426 34 L N 6.594 127.478 121.223 -0.566 0.000 2.325 34 L HA 0.643 4.984 4.340 0.001 0.000 0.278 34 L C -1.429 175.171 176.870 -0.451 0.000 1.023 34 L CA -0.836 53.543 54.840 -0.769 0.000 0.811 34 L CB 1.703 42.877 42.059 -1.475 0.000 1.249 34 L HN 0.777 nan 8.230 nan 0.000 0.431 35 L N 6.355 127.351 121.223 -0.378 0.000 2.406 35 L HA 0.520 4.861 4.340 0.001 0.000 0.272 35 L C -1.509 175.163 176.870 -0.330 0.000 0.980 35 L CA -0.501 54.160 54.840 -0.298 0.000 0.831 35 L CB 1.525 43.439 42.059 -0.241 0.000 1.253 35 L HN 0.475 nan 8.230 nan 0.000 0.406 36 L N 4.214 125.261 121.223 -0.294 0.000 2.296 36 L HA 0.589 4.930 4.340 0.001 0.000 0.286 36 L C -0.408 176.355 176.870 -0.178 0.000 1.023 36 L CA -0.512 54.163 54.840 -0.275 0.000 0.812 36 L CB 1.785 43.675 42.059 -0.282 0.000 1.223 36 L HN 0.654 nan 8.230 nan 0.000 0.421 37 E N 2.790 122.885 120.200 -0.176 0.000 2.199 37 E HA 0.249 4.600 4.350 0.001 0.000 0.265 37 E C 0.475 177.056 176.600 -0.032 0.000 0.882 37 E CA -0.609 55.712 56.400 -0.132 0.000 0.759 37 E CB 1.600 31.117 29.700 -0.305 0.000 1.148 37 E HN 0.439 nan 8.360 nan 0.000 0.412 38 R N 3.181 123.701 120.500 0.033 0.000 2.096 38 R HA -0.013 4.327 4.340 0.001 0.000 0.235 38 R C 0.005 176.358 176.300 0.088 0.000 1.127 38 R CA 1.032 57.175 56.100 0.071 0.000 0.968 38 R CB 0.252 30.598 30.300 0.077 0.000 0.861 38 R HN 0.588 nan 8.270 nan 0.000 0.440 39 E N -0.212 120.060 120.200 0.121 0.000 2.280 39 E HA 0.326 4.677 4.350 0.001 0.000 0.261 39 E C -1.141 175.560 176.600 0.169 0.000 1.088 39 E CA -0.331 56.169 56.400 0.166 0.000 0.915 39 E CB 1.613 31.459 29.700 0.243 0.000 1.141 39 E HN 0.295 nan 8.360 nan 0.000 0.433 40 A N 1.879 124.806 122.820 0.178 0.000 2.274 40 A HA 0.421 4.742 4.320 0.001 0.000 0.309 40 A C -0.735 177.047 177.584 0.330 0.000 1.226 40 A CA -0.460 51.683 52.037 0.176 0.000 0.853 40 A CB -0.019 19.045 19.000 0.106 0.000 1.146 40 A HN 0.318 nan 8.150 nan 0.000 0.518 41 F N 3.108 123.056 119.950 -0.004 0.000 2.410 41 F HA 0.431 4.959 4.527 0.001 0.000 0.334 41 F C -1.356 174.444 175.800 0.000 0.000 1.134 41 F CA -2.168 55.829 58.000 -0.005 0.000 1.227 41 F CB 0.326 39.315 39.000 -0.020 0.000 1.194 41 F HN 0.413 nan 8.300 nan 0.000 0.571 42 P HA 0.441 nan 4.420 nan 0.000 0.277 42 P C -1.337 175.879 177.300 -0.140 0.000 1.240 42 P CA -0.591 62.458 63.100 -0.084 0.000 0.798 42 P CB 1.365 33.037 31.700 -0.046 0.000 0.979 43 R N -0.663 119.635 120.500 -0.338 0.000 2.698 43 R HA 0.418 4.759 4.340 0.001 0.000 0.275 43 R C -0.241 175.950 176.300 -0.181 0.000 1.001 43 R CA -0.850 55.134 56.100 -0.192 0.000 0.896 43 R CB 0.426 30.652 30.300 -0.123 0.000 1.218 43 R HN 0.477 nan 8.270 nan 0.000 0.462 44 H N 1.871 120.836 119.070 -0.176 0.000 2.848 44 H HA 0.197 4.754 4.556 0.001 0.000 0.341 44 H C -1.157 174.131 175.328 -0.068 0.000 1.060 44 H CA 0.545 56.498 56.048 -0.158 0.000 1.444 44 H CB 1.270 30.905 29.762 -0.211 0.000 1.446 44 H HN 0.649 nan 8.280 nan 0.000 0.583 45 Q N 4.417 123.785 119.800 -0.720 0.000 2.340 45 Q HA 0.291 4.632 4.340 0.001 0.000 0.276 45 Q C -1.677 173.989 176.000 -0.556 0.000 1.048 45 Q CA -0.825 54.680 55.803 -0.496 0.000 0.832 45 Q CB 1.570 30.178 28.738 -0.216 0.000 1.373 45 Q HN 0.650 nan 8.270 nan 0.000 0.409 46 I N 2.025 122.420 120.570 -0.290 0.000 2.823 46 I HA 0.636 4.807 4.170 0.001 0.000 0.290 46 I C 0.472 176.433 176.117 -0.259 0.000 1.091 46 I CA 1.199 62.353 61.300 -0.244 0.000 1.365 46 I CB 1.156 38.962 38.000 -0.323 0.000 1.427 46 I HN 0.784 nan 8.210 nan 0.000 0.583 47 G N 5.271 113.894 108.800 -0.294 0.000 2.857 47 G HA2 -0.101 3.860 3.960 0.001 0.000 0.166 47 G HA3 -0.101 3.860 3.960 0.001 0.000 0.166 47 G C 0.037 174.805 174.900 -0.220 0.000 1.060 47 G CA 0.003 44.946 45.100 -0.263 0.000 0.976 47 G HN 0.692 nan 8.290 nan 0.000 0.549 48 E N -0.116 119.946 120.200 -0.231 0.000 2.340 48 E HA 0.196 4.547 4.350 0.001 0.000 0.198 48 E C 1.269 177.749 176.600 -0.200 0.000 0.961 48 E CA 0.468 56.754 56.400 -0.190 0.000 0.905 48 E CB 0.620 30.273 29.700 -0.077 0.000 0.884 48 E HN 0.314 nan 8.360 nan 0.000 0.491 49 S N 1.061 116.660 115.700 -0.168 0.000 2.452 49 S HA 0.346 4.817 4.470 0.001 0.000 0.284 49 S C -0.321 174.235 174.600 -0.073 0.000 1.171 49 S CA -0.488 57.659 58.200 -0.089 0.000 1.064 49 S CB 0.134 63.308 63.200 -0.044 0.000 0.967 49 S HN 0.085 nan 8.310 nan 0.000 0.484 50 L N 4.614 125.798 121.223 -0.065 0.000 2.331 50 L HA 0.649 4.990 4.340 0.001 0.000 0.268 50 L C -0.370 176.492 176.870 -0.014 0.000 1.015 50 L CA -1.069 53.726 54.840 -0.075 0.000 0.807 50 L CB 1.033 42.989 42.059 -0.172 0.000 1.293 50 L HN 0.407 nan 8.230 nan 0.000 0.451 51 L N 0.419 121.600 121.223 -0.071 0.000 2.322 51 L HA 0.382 4.723 4.340 0.001 0.000 0.269 51 L C -1.808 174.904 176.870 -0.264 0.000 1.012 51 L CA -1.652 53.063 54.840 -0.208 0.000 0.815 51 L CB 1.780 43.727 42.059 -0.187 0.000 1.295 51 L HN 0.277 nan 8.230 nan 0.000 0.438 52 P HA -0.139 nan 4.420 nan 0.000 0.218 52 P C 1.222 178.541 177.300 0.032 0.000 1.148 52 P CA 1.179 64.149 63.100 -0.217 0.000 0.822 52 P CB 0.268 31.737 31.700 -0.384 0.000 0.784 53 A N -0.976 121.793 122.820 -0.085 0.000 1.972 53 A HA -0.160 4.161 4.320 0.001 0.000 0.219 53 A C 2.099 179.771 177.584 0.146 0.000 1.169 53 A CA 2.268 54.312 52.037 0.011 0.000 0.635 53 A CB -1.685 17.218 19.000 -0.161 0.000 0.810 53 A HN 0.184 nan 8.150 nan 0.000 0.446 54 T N -0.958 113.667 114.554 0.118 0.000 2.852 54 T HA -0.024 4.327 4.350 0.001 0.000 0.256 54 T C 1.879 176.652 174.700 0.122 0.000 1.038 54 T CA 1.243 63.438 62.100 0.159 0.000 1.141 54 T CB -0.380 68.581 68.868 0.156 0.000 0.869 54 T HN 0.115 nan 8.240 nan 0.000 0.439 55 V N 1.392 121.330 119.914 0.041 0.000 2.307 55 V HA -0.160 3.961 4.120 0.001 0.000 0.245 55 V C 2.307 178.279 176.094 -0.203 0.000 1.045 55 V CA 1.587 63.850 62.300 -0.063 0.000 1.024 55 V CB -0.538 31.141 31.823 -0.240 0.000 0.651 55 V HN 0.614 nan 8.190 nan 0.000 0.449 56 H N -1.217 117.792 119.070 -0.101 0.000 2.582 56 H HA 0.189 4.746 4.556 0.002 0.000 0.269 56 H C 2.083 177.392 175.328 -0.033 0.000 0.962 56 H CA 0.937 56.882 56.048 -0.173 0.000 1.230 56 H CB 0.493 29.987 29.762 -0.447 0.000 1.445 56 H HN 0.489 nan 8.280 nan 0.000 0.528 57 G N 1.376 110.331 108.800 0.259 0.000 2.664 57 G HA2 -0.037 3.924 3.960 0.001 0.000 0.216 57 G HA3 -0.037 3.924 3.960 0.001 0.000 0.216 57 G C 1.565 176.583 174.900 0.198 0.000 1.243 57 G CA -0.047 45.216 45.100 0.271 0.000 0.859 57 G HN 0.009 nan 8.290 nan 0.000 0.574 58 I N 1.322 122.020 120.570 0.212 0.000 2.142 58 I HA -0.132 4.039 4.170 0.001 0.000 0.240 58 I C 2.924 179.155 176.117 0.190 0.000 1.078 58 I CA 0.847 62.295 61.300 0.246 0.000 1.343 58 I CB -1.364 36.776 38.000 0.232 0.000 1.046 58 I HN 0.163 nan 8.210 nan 0.000 0.405 59 C N 0.947 120.327 119.300 0.134 0.000 2.419 59 C HA -0.011 4.450 4.460 0.001 0.000 0.283 59 C C 3.067 178.100 174.990 0.072 0.000 1.373 59 C CA 0.657 59.730 59.018 0.092 0.000 1.781 59 C CB -1.348 26.466 27.740 0.124 0.000 1.886 59 C HN 0.587 nan 8.230 nan 0.000 0.520 60 A N -0.125 122.740 122.820 0.075 0.000 1.874 60 A HA -0.111 4.209 4.320 0.001 0.000 0.214 60 A C 2.062 179.696 177.584 0.084 0.000 1.189 60 A CA 1.545 53.617 52.037 0.057 0.000 0.615 60 A CB -0.572 18.450 19.000 0.036 0.000 0.830 60 A HN 0.471 nan 8.150 nan 0.000 0.443 61 M N -0.326 119.355 119.600 0.135 0.000 2.213 61 M HA -0.019 4.461 4.480 0.001 0.000 0.263 61 M C 1.542 177.994 176.300 0.252 0.000 1.062 61 M CA 1.398 56.809 55.300 0.186 0.000 1.105 61 M CB -0.380 32.356 32.600 0.228 0.000 1.385 61 M HN 0.358 nan 8.290 nan 0.000 0.417 62 L N -0.775 120.559 121.223 0.186 0.000 2.478 62 L HA 0.161 4.502 4.340 0.001 0.000 0.223 62 L C 1.152 178.032 176.870 0.018 0.000 1.140 62 L CA 0.396 55.260 54.840 0.040 0.000 0.842 62 L CB -0.730 41.257 42.059 -0.120 0.000 0.953 62 L HN 0.598 nan 8.230 nan 0.000 0.452 63 G N 0.547 109.370 108.800 0.039 0.000 2.256 63 G HA2 -0.263 3.698 3.960 0.001 0.000 0.272 63 G HA3 -0.263 3.698 3.960 0.001 0.000 0.272 63 G C 0.384 175.289 174.900 0.009 0.000 1.076 63 G CA 0.061 45.174 45.100 0.022 0.000 0.882 63 G HN 0.332 nan 8.290 nan 0.000 0.497 64 L N -0.262 120.971 121.223 0.016 0.000 2.858 64 L HA 0.114 4.455 4.340 0.001 0.000 0.251 64 L C 2.572 179.468 176.870 0.044 0.000 1.149 64 L CA 0.653 55.503 54.840 0.017 0.000 0.955 64 L CB -0.070 41.991 42.059 0.004 0.000 1.289 64 L HN 0.303 nan 8.230 nan 0.000 0.542 65 T N 0.097 114.678 114.554 0.045 0.000 2.592 65 T HA -0.242 4.108 4.350 0.001 0.000 0.267 65 T C 1.253 175.996 174.700 0.072 0.000 1.060 65 T CA 2.179 64.314 62.100 0.059 0.000 1.167 65 T CB -0.173 68.719 68.868 0.040 0.000 0.863 65 T HN 0.332 nan 8.240 nan 0.000 0.431 66 D N 0.623 121.050 120.400 0.045 0.000 2.117 66 D HA -0.071 4.570 4.640 0.001 0.000 0.197 66 D C 2.104 178.412 176.300 0.014 0.000 0.987 66 D CA 0.930 54.951 54.000 0.034 0.000 0.829 66 D CB -0.463 40.348 40.800 0.019 0.000 0.961 66 D HN 0.512 nan 8.370 nan 0.000 0.460 67 E N -0.312 119.890 120.200 0.004 0.000 2.150 67 E HA -0.122 4.229 4.350 0.001 0.000 0.193 67 E C 2.024 178.597 176.600 -0.045 0.000 0.985 67 E CA 0.565 56.950 56.400 -0.024 0.000 0.814 67 E CB 0.114 29.802 29.700 -0.020 0.000 0.752 67 E HN 0.118 nan 8.360 nan 0.000 0.466 68 M N 0.421 120.027 119.600 0.010 0.000 2.086 68 M HA -0.163 4.317 4.480 0.001 0.000 0.261 68 M C 2.057 178.249 176.300 -0.181 0.000 1.067 68 M CA 1.477 56.770 55.300 -0.011 0.000 1.116 68 M CB -0.649 32.046 32.600 0.159 0.000 1.348 68 M HN 0.013 nan 8.290 nan 0.000 0.407 69 K N 0.060 120.455 120.400 -0.010 0.000 2.063 69 K HA -0.140 4.181 4.320 0.001 0.000 0.208 69 K C 1.962 178.513 176.600 -0.083 0.000 1.048 69 K CA 1.219 57.525 56.287 0.032 0.000 0.928 69 K CB -0.192 32.364 32.500 0.095 0.000 0.713 69 K HN 0.383 nan 8.250 nan 0.000 0.442 70 R N 0.036 120.467 120.500 -0.114 0.000 2.299 70 R HA 0.091 4.432 4.340 0.001 0.000 0.197 70 R C 2.003 178.168 176.300 -0.225 0.000 0.971 70 R CA 0.503 56.527 56.100 -0.128 0.000 1.030 70 R CB 0.066 30.312 30.300 -0.089 0.000 0.932 70 R HN 0.142 nan 8.270 nan 0.000 0.477 71 A N 0.825 123.408 122.820 -0.395 0.000 2.016 71 A HA 0.113 4.434 4.320 0.001 0.000 0.217 71 A C 1.543 178.740 177.584 -0.645 0.000 1.162 71 A CA 1.034 52.668 52.037 -0.670 0.000 0.662 71 A CB -0.232 17.985 19.000 -1.304 0.000 0.812 71 A HN 0.405 nan 8.150 nan 0.000 0.450 72 G N -1.762 106.766 108.800 -0.453 0.000 2.182 72 G HA2 -0.201 3.760 3.960 0.001 0.000 0.248 72 G HA3 -0.201 3.760 3.960 0.001 0.000 0.248 72 G C -0.243 174.576 174.900 -0.134 0.000 1.042 72 G CA -0.007 44.957 45.100 -0.227 0.000 0.775 72 G HN 0.265 nan 8.290 nan 0.000 0.501 73 F N 0.616 120.516 119.950 -0.083 0.000 2.427 73 F HA 0.451 4.979 4.527 0.001 0.000 0.352 73 F C -1.236 174.644 175.800 0.132 0.000 1.100 73 F CA -2.880 55.105 58.000 -0.025 0.000 1.191 73 F CB 0.491 39.389 39.000 -0.170 0.000 1.128 73 F HN -0.106 nan 8.300 nan 0.000 0.533 74 P HA -0.016 nan 4.420 nan 0.000 0.265 74 P C -0.480 177.031 177.300 0.351 0.000 1.187 74 P CA 0.219 63.473 63.100 0.258 0.000 0.766 74 P CB 0.379 32.186 31.700 0.180 0.000 0.820 75 I N 3.061 123.781 120.570 0.249 0.000 2.325 75 I HA 0.179 4.350 4.170 0.001 0.000 0.291 75 I C 0.990 177.195 176.117 0.147 0.000 1.019 75 I CA 0.056 61.469 61.300 0.189 0.000 1.302 75 I CB 0.370 38.361 38.000 -0.015 0.000 1.401 75 I HN 0.141 nan 8.210 nan 0.000 0.485 76 K N 6.783 127.303 120.400 0.200 0.000 2.264 76 K HA 0.363 4.683 4.320 0.001 0.000 0.277 76 K C 0.501 177.272 176.600 0.285 0.000 1.067 76 K CA -0.546 55.860 56.287 0.198 0.000 0.900 76 K CB 0.681 33.315 32.500 0.223 0.000 1.124 76 K HN 0.494 nan 8.250 nan 0.000 0.469 77 R N 2.414 122.990 120.500 0.127 0.000 2.280 77 R HA 0.167 4.508 4.340 0.001 0.000 0.195 77 R C 0.746 176.921 176.300 -0.208 0.000 0.935 77 R CA 0.517 56.684 56.100 0.111 0.000 1.033 77 R CB 0.868 31.181 30.300 0.023 0.000 0.964 77 R HN 0.901 nan 8.270 nan 0.000 0.489 78 G N -1.064 107.436 108.800 -0.500 0.000 2.455 78 G HA2 0.319 4.280 3.960 0.001 0.000 0.223 78 G HA3 0.319 4.280 3.960 0.001 0.000 0.223 78 G C -1.288 172.956 174.900 -1.093 0.000 1.226 78 G CA -0.295 44.057 45.100 -1.247 0.000 0.948 78 G HN 0.303 nan 8.290 nan 0.000 0.478 79 G N -1.500 106.241 108.800 -1.765 0.000 2.690 79 G HA2 0.682 4.643 3.960 0.001 0.000 0.291 79 G HA3 0.682 4.643 3.960 0.001 0.000 0.291 79 G C -1.231 173.278 174.900 -0.652 0.000 1.403 79 G CA 0.175 44.718 45.100 -0.928 0.000 0.864 79 G HN 0.919 nan 8.290 nan 0.000 0.480 80 T N 0.504 114.754 114.554 -0.507 0.000 2.823 80 T HA 0.640 4.991 4.350 0.001 0.000 0.279 80 T C -1.294 173.010 174.700 -0.660 0.000 0.998 80 T CA -0.064 61.783 62.100 -0.421 0.000 0.994 80 T CB 1.113 69.814 68.868 -0.278 0.000 0.960 80 T HN 0.263 nan 8.240 nan 0.000 0.448 81 F N 1.946 121.502 119.950 -0.657 0.000 2.529 81 F HA 0.567 5.094 4.527 0.001 0.000 0.320 81 F C 0.299 175.824 175.800 -0.458 0.000 1.118 81 F CA -1.202 56.409 58.000 -0.648 0.000 0.915 81 F CB 1.828 40.142 39.000 -1.143 0.000 1.161 81 F HN 0.325 nan 8.300 nan 0.000 0.445 82 R N 4.084 124.620 120.500 0.060 0.000 2.280 82 R HA 0.342 4.683 4.340 0.001 0.000 0.326 82 R C -2.002 174.466 176.300 0.280 0.000 1.080 82 R CA -0.297 55.878 56.100 0.125 0.000 1.002 82 R CB 0.362 30.687 30.300 0.043 0.000 1.136 82 R HN 0.680 nan 8.270 nan 0.000 0.509 83 W N 4.850 126.195 121.300 0.076 0.000 3.901 83 W HA 0.418 5.079 4.660 0.002 0.000 0.274 83 W C -0.554 175.999 176.519 0.057 0.000 1.278 83 W CA 0.585 57.920 57.345 -0.017 0.000 1.235 83 W CB 1.523 30.987 29.460 0.006 0.000 1.261 83 W HN 0.881 nan 8.180 nan 0.000 0.546 84 G N 3.568 112.360 108.800 -0.013 0.000 2.418 84 G HA2 -0.254 3.707 3.960 0.001 0.000 0.206 84 G HA3 -0.254 3.707 3.960 0.001 0.000 0.206 84 G C 0.469 175.319 174.900 -0.083 0.000 1.202 84 G CA 0.193 45.284 45.100 -0.016 0.000 1.061 84 G HN 0.559 nan 8.290 nan 0.000 0.563 85 K N 0.405 120.781 120.400 -0.040 0.000 2.007 85 K HA 0.079 4.400 4.320 0.001 0.000 0.206 85 K C 1.216 177.807 176.600 -0.014 0.000 1.047 85 K CA 1.214 57.475 56.287 -0.044 0.000 0.937 85 K CB -0.105 32.372 32.500 -0.039 0.000 0.718 85 K HN 0.485 nan 8.250 nan 0.000 0.438 86 E N 0.077 120.295 120.200 0.029 0.000 2.343 86 E HA 0.042 4.393 4.350 0.001 0.000 0.269 86 E C -2.071 174.571 176.600 0.070 0.000 1.047 86 E CA -1.934 54.497 56.400 0.051 0.000 0.874 86 E CB 1.349 31.094 29.700 0.075 0.000 1.033 86 E HN 0.019 nan 8.360 nan 0.000 0.409 87 P HA -0.022 nan 4.420 nan 0.000 0.222 87 P C -0.655 176.685 177.300 0.066 0.000 1.153 87 P CA 0.717 63.843 63.100 0.043 0.000 0.798 87 P CB 0.292 32.006 31.700 0.024 0.000 0.796 88 E N 0.982 121.234 120.200 0.087 0.000 2.344 88 E HA 0.145 4.496 4.350 0.001 0.000 0.270 88 E C -2.165 174.528 176.600 0.154 0.000 1.021 88 E CA -1.960 54.498 56.400 0.096 0.000 0.887 88 E CB -0.065 29.689 29.700 0.090 0.000 0.997 88 E HN 0.148 nan 8.360 nan 0.000 0.429 89 P HA -0.021 nan 4.420 nan 0.000 0.268 89 P C -0.757 176.648 177.300 0.174 0.000 1.204 89 P CA 0.015 63.159 63.100 0.072 0.000 0.768 89 P CB 0.276 31.962 31.700 -0.022 0.000 0.842 90 W N 1.207 122.595 121.300 0.146 0.000 2.655 90 W HA 0.691 5.352 4.660 0.001 0.000 0.358 90 W C -1.293 175.339 176.519 0.189 0.000 1.100 90 W CA -0.819 56.616 57.345 0.150 0.000 1.195 90 W CB 0.346 29.902 29.460 0.159 0.000 1.403 90 W HN 0.118 nan 8.180 nan 0.000 0.589 91 T N 2.029 116.853 114.554 0.451 0.000 2.907 91 T HA 0.634 4.985 4.350 0.001 0.000 0.292 91 T C -1.185 173.784 174.700 0.448 0.000 1.043 91 T CA -0.390 61.846 62.100 0.227 0.000 1.003 91 T CB 1.934 70.826 68.868 0.039 0.000 1.084 91 T HN 0.366 nan 8.240 nan 0.000 0.483 92 F N -0.839 119.238 119.950 0.213 0.000 2.593 92 F HA 0.934 5.461 4.527 0.001 0.000 0.320 92 F C -0.109 175.670 175.800 -0.035 0.000 1.060 92 F CA -1.180 56.919 58.000 0.165 0.000 0.940 92 F CB 1.276 40.440 39.000 0.272 0.000 1.268 92 F HN 0.733 nan 8.300 nan 0.000 0.475 93 G N 0.940 109.770 108.800 0.049 0.000 2.524 93 G HA2 0.478 4.439 3.960 0.001 0.000 0.310 93 G HA3 0.478 4.439 3.960 0.001 0.000 0.310 93 G C -0.797 174.140 174.900 0.062 0.000 1.279 93 G CA -0.773 44.258 45.100 -0.114 0.000 0.974 93 G HN 0.627 nan 8.290 nan 0.000 0.484 94 F N 0.643 120.706 119.950 0.188 0.000 2.186 94 F HA 0.118 4.645 4.527 0.001 0.000 0.299 94 F C 1.986 177.847 175.800 0.103 0.000 1.090 94 F CA 1.259 59.361 58.000 0.170 0.000 1.307 94 F CB -0.125 38.957 39.000 0.136 0.000 1.019 94 F HN 0.484 nan 8.300 nan 0.000 0.489 95 T N -3.791 110.915 114.554 0.253 0.000 2.900 95 T HA 0.481 4.832 4.350 0.001 0.000 0.303 95 T C 0.496 175.260 174.700 0.106 0.000 1.142 95 T CA -0.948 61.253 62.100 0.168 0.000 1.007 95 T CB 2.375 71.346 68.868 0.171 0.000 1.156 95 T HN -0.241 nan 8.240 nan 0.000 0.490 96 R N 0.123 120.665 120.500 0.070 0.000 2.105 96 R HA 0.059 4.399 4.340 0.001 0.000 0.239 96 R C 0.899 177.089 176.300 -0.185 0.000 1.135 96 R CA 1.439 57.509 56.100 -0.050 0.000 0.967 96 R CB -0.420 29.845 30.300 -0.057 0.000 0.861 96 R HN 0.659 nan 8.270 nan 0.000 0.442 97 H N -0.918 118.185 119.070 0.056 0.000 2.533 97 H HA 0.170 4.726 4.556 0.001 0.000 0.343 97 H C -1.658 173.710 175.328 0.066 0.000 1.160 97 H CA -2.178 53.901 56.048 0.051 0.000 1.218 97 H CB 1.733 31.520 29.762 0.042 0.000 1.566 97 H HN -0.098 nan 8.280 nan 0.000 0.522 98 P HA -0.107 nan 4.420 nan 0.000 0.217 98 P C 0.469 177.862 177.300 0.157 0.000 1.150 98 P CA 1.311 64.489 63.100 0.130 0.000 0.832 98 P CB 0.625 32.372 31.700 0.078 0.000 0.787 99 D N -0.352 120.135 120.400 0.143 0.000 2.431 99 D HA 0.023 4.664 4.640 0.001 0.000 0.213 99 D C 0.449 176.809 176.300 0.099 0.000 1.130 99 D CA 0.053 54.132 54.000 0.131 0.000 0.834 99 D CB 0.401 41.254 40.800 0.088 0.000 0.985 99 D HN 0.370 nan 8.370 nan 0.000 0.504 100 D N 1.054 121.512 120.400 0.096 0.000 2.358 100 D HA 0.130 4.770 4.640 0.001 0.000 0.244 100 D C -2.454 173.854 176.300 0.013 0.000 1.163 100 D CA -1.415 52.616 54.000 0.052 0.000 0.945 100 D CB 0.318 41.156 40.800 0.065 0.000 1.152 100 D HN -0.187 nan 8.370 nan 0.000 0.451 101 P HA -0.076 nan 4.420 nan 0.000 0.264 101 P C -0.615 176.626 177.300 -0.099 0.000 1.183 101 P CA 0.364 63.386 63.100 -0.129 0.000 0.763 101 P CB -0.254 31.443 31.700 -0.005 0.000 0.807 102 Y N 0.036 120.049 120.300 -0.478 0.000 3.589 102 Y HA -0.218 4.332 4.550 0.001 0.000 0.218 102 Y C 1.749 177.367 175.900 -0.470 0.000 1.234 102 Y CA 0.771 58.484 58.100 -0.645 0.000 1.576 102 Y CB -2.416 35.854 38.460 -0.316 0.000 1.487 102 Y HN 0.582 nan 8.280 nan 0.000 0.616 103 G N -0.619 107.985 108.800 -0.326 0.000 2.464 103 G HA2 0.233 4.194 3.960 0.001 0.000 0.217 103 G HA3 0.233 4.194 3.960 0.001 0.000 0.217 103 G C 0.224 175.305 174.900 0.303 0.000 1.138 103 G CA 1.041 46.194 45.100 0.088 0.000 0.793 103 G HN 0.550 nan 8.290 nan 0.000 0.539 104 F N -2.314 117.670 119.950 0.057 0.000 2.745 104 F HA 0.856 5.384 4.527 0.001 0.000 0.316 104 F C -0.315 175.512 175.800 0.045 0.000 1.155 104 F CA -1.263 56.833 58.000 0.159 0.000 0.937 104 F CB 1.078 40.132 39.000 0.090 0.000 1.361 104 F HN 0.151 nan 8.300 nan 0.000 0.472 105 A N -0.095 122.794 122.820 0.114 0.000 2.701 105 A HA 0.869 5.190 4.320 0.001 0.000 0.290 105 A C -2.295 175.207 177.584 -0.136 0.000 1.267 105 A CA -0.803 51.135 52.037 -0.165 0.000 0.709 105 A CB 0.807 19.748 19.000 -0.099 0.000 1.352 105 A HN 0.803 nan 8.150 nan 0.000 0.519 106 Y N -0.130 120.241 120.300 0.118 0.000 2.570 106 Y HA 0.534 5.085 4.550 0.002 0.000 0.345 106 Y C -0.207 175.657 175.900 -0.060 0.000 1.014 106 Y CA -0.745 57.406 58.100 0.085 0.000 1.063 106 Y CB 1.687 40.184 38.460 0.063 0.000 1.272 106 Y HN 0.454 nan 8.280 nan 0.000 0.477 107 Q N 2.602 122.492 119.800 0.149 0.000 2.368 107 Q HA 0.499 4.840 4.340 0.001 0.000 0.256 107 Q C -0.761 175.153 176.000 -0.144 0.000 0.980 107 Q CA -0.666 55.138 55.803 0.001 0.000 0.887 107 Q CB 1.887 30.668 28.738 0.072 0.000 1.221 107 Q HN 0.588 nan 8.270 nan 0.000 0.458 108 V N -0.307 119.387 119.914 -0.368 0.000 2.628 108 V HA 0.484 4.605 4.120 0.001 0.000 0.306 108 V C -0.082 175.861 176.094 -0.252 0.000 1.045 108 V CA -1.040 60.860 62.300 -0.666 0.000 0.905 108 V CB 1.963 33.041 31.823 -1.243 0.000 0.997 108 V HN 0.621 nan 8.190 nan 0.000 0.436 109 E N 2.513 122.682 120.200 -0.051 0.000 2.265 109 E HA 0.192 4.543 4.350 0.001 0.000 0.272 109 E C 0.625 177.274 176.600 0.081 0.000 1.067 109 E CA -0.176 56.295 56.400 0.118 0.000 0.900 109 E CB 1.166 31.006 29.700 0.233 0.000 1.017 109 E HN 0.673 nan 8.360 nan 0.000 0.431 110 R N 3.622 124.143 120.500 0.034 0.000 2.096 110 R HA -0.155 4.186 4.340 0.001 0.000 0.235 110 R C 1.869 178.163 176.300 -0.010 0.000 1.127 110 R CA 1.733 57.837 56.100 0.007 0.000 0.968 110 R CB -0.450 29.793 30.300 -0.095 0.000 0.861 110 R HN 0.650 nan 8.270 nan 0.000 0.440 111 A N 0.805 123.601 122.820 -0.040 0.000 1.884 111 A HA -0.275 4.046 4.320 0.001 0.000 0.219 111 A C 2.136 179.693 177.584 -0.044 0.000 1.197 111 A CA 2.141 54.118 52.037 -0.100 0.000 0.637 111 A CB -0.549 18.431 19.000 -0.035 0.000 0.827 111 A HN 0.412 nan 8.150 nan 0.000 0.450 112 R N -2.383 118.177 120.500 0.099 0.000 2.090 112 R HA -0.008 4.333 4.340 0.001 0.000 0.228 112 R C 2.055 178.489 176.300 0.223 0.000 1.110 112 R CA 1.360 57.560 56.100 0.167 0.000 0.973 112 R CB -0.448 30.018 30.300 0.278 0.000 0.869 112 R HN 0.578 nan 8.270 nan 0.000 0.440 113 F N 2.360 122.355 119.950 0.075 0.000 2.128 113 F HA -0.122 4.405 4.527 0.001 0.000 0.295 113 F C 1.496 177.303 175.800 0.012 0.000 1.100 113 F CA 1.556 59.581 58.000 0.042 0.000 1.260 113 F CB -0.107 38.805 39.000 -0.146 0.000 1.009 113 F HN -0.123 nan 8.300 nan 0.000 0.476 114 D N 0.196 120.565 120.400 -0.051 0.000 2.097 114 D HA -0.195 4.446 4.640 0.001 0.000 0.195 114 D C 1.871 178.178 176.300 0.011 0.000 0.989 114 D CA 1.680 55.616 54.000 -0.106 0.000 0.827 114 D CB -0.739 39.964 40.800 -0.160 0.000 0.966 114 D HN 0.350 nan 8.370 nan 0.000 0.456 115 D N 0.030 120.425 120.400 -0.007 0.000 2.092 115 D HA -0.184 4.457 4.640 0.001 0.000 0.193 115 D C 2.108 178.452 176.300 0.074 0.000 0.994 115 D CA 0.986 55.092 54.000 0.176 0.000 0.828 115 D CB -0.213 40.639 40.800 0.086 0.000 0.963 115 D HN 0.119 nan 8.370 nan 0.000 0.450 116 M N -0.358 119.240 119.600 -0.004 0.000 2.082 116 M HA -0.216 4.264 4.480 0.001 0.000 0.258 116 M C 1.996 178.222 176.300 -0.123 0.000 1.069 116 M CA 1.523 56.793 55.300 -0.051 0.000 1.102 116 M CB -0.159 32.425 32.600 -0.027 0.000 1.336 116 M HN 0.137 nan 8.290 nan 0.000 0.404 117 L N -0.204 120.881 121.223 -0.230 0.000 2.083 117 L HA -0.206 4.135 4.340 0.001 0.000 0.209 117 L C 2.443 179.228 176.870 -0.141 0.000 1.083 117 L CA 0.679 55.369 54.840 -0.251 0.000 0.752 117 L CB -0.673 41.161 42.059 -0.374 0.000 0.899 117 L HN 0.395 nan 8.230 nan 0.000 0.433 118 L N -0.376 120.815 121.223 -0.053 0.000 2.109 118 L HA -0.105 4.236 4.340 0.001 0.000 0.207 118 L C 2.613 179.427 176.870 -0.093 0.000 1.086 118 L CA 1.446 56.239 54.840 -0.077 0.000 0.760 118 L CB -0.426 41.581 42.059 -0.086 0.000 0.910 118 L HN 0.007 nan 8.230 nan 0.000 0.437 119 R N -0.162 120.307 120.500 -0.052 0.000 2.105 119 R HA -0.173 4.167 4.340 0.001 0.000 0.239 119 R C 2.124 178.381 176.300 -0.070 0.000 1.135 119 R CA 1.487 57.555 56.100 -0.054 0.000 0.967 119 R CB -1.055 29.228 30.300 -0.028 0.000 0.861 119 R HN 0.468 nan 8.270 nan 0.000 0.442 120 N N -0.271 118.378 118.700 -0.085 0.000 2.244 120 N HA -0.080 4.661 4.740 0.001 0.000 0.183 120 N C 1.316 176.765 175.510 -0.103 0.000 1.016 120 N CA 1.451 54.446 53.050 -0.091 0.000 0.866 120 N CB -0.065 38.356 38.487 -0.110 0.000 0.980 120 N HN 0.048 nan 8.380 nan 0.000 0.430 121 S N 0.358 115.985 115.700 -0.122 0.000 2.353 121 S HA -0.142 4.329 4.470 0.001 0.000 0.222 121 S C 1.594 176.133 174.600 -0.102 0.000 1.035 121 S CA 1.224 59.347 58.200 -0.128 0.000 1.025 121 S CB -0.358 62.753 63.200 -0.149 0.000 0.902 121 S HN 0.466 nan 8.310 nan 0.000 0.440 122 E N 0.889 121.031 120.200 -0.098 0.000 2.033 122 E HA -0.178 4.172 4.350 0.001 0.000 0.199 122 E C 2.320 178.884 176.600 -0.060 0.000 1.011 122 E CA 1.138 57.490 56.400 -0.081 0.000 0.815 122 E CB -0.203 29.450 29.700 -0.079 0.000 0.755 122 E HN 0.374 nan 8.360 nan 0.000 0.451 123 R N 0.568 121.035 120.500 -0.056 0.000 2.200 123 R HA -0.087 4.254 4.340 0.001 0.000 0.234 123 R C 1.843 178.118 176.300 -0.041 0.000 1.127 123 R CA 0.736 56.810 56.100 -0.044 0.000 0.989 123 R CB -0.050 30.225 30.300 -0.042 0.000 0.869 123 R HN -0.013 nan 8.270 nan 0.000 0.459 124 K N -0.616 119.754 120.400 -0.050 0.000 2.459 124 K HA 0.061 4.382 4.320 0.001 0.000 0.193 124 K C 1.034 177.615 176.600 -0.032 0.000 1.030 124 K CA 0.828 57.090 56.287 -0.041 0.000 1.026 124 K CB 0.891 33.359 32.500 -0.054 0.000 0.809 124 K HN 0.438 nan 8.250 nan 0.000 0.504 125 G N 0.694 109.474 108.800 -0.035 0.000 2.159 125 G HA2 -0.188 3.773 3.960 0.001 0.000 0.170 125 G HA3 -0.188 3.773 3.960 0.001 0.000 0.170 125 G C -0.084 174.804 174.900 -0.020 0.000 1.007 125 G CA -0.184 44.903 45.100 -0.021 0.000 0.672 125 G HN 0.051 nan 8.290 nan 0.000 0.507 126 V N 1.370 121.256 119.914 -0.047 0.000 2.498 126 V HA 0.397 4.517 4.120 0.001 0.000 0.279 126 V C 0.449 176.495 176.094 -0.081 0.000 1.048 126 V CA -0.396 61.865 62.300 -0.066 0.000 0.967 126 V CB 1.762 33.523 31.823 -0.103 0.000 0.988 126 V HN 0.298 nan 8.190 nan 0.000 0.473 127 D N 4.217 124.568 120.400 -0.083 0.000 2.498 127 D HA 0.115 4.756 4.640 0.001 0.000 0.229 127 D C -0.156 176.023 176.300 -0.202 0.000 1.188 127 D CA 0.081 54.019 54.000 -0.103 0.000 1.028 127 D CB 0.796 41.575 40.800 -0.035 0.000 1.087 127 D HN 0.432 nan 8.370 nan 0.000 0.510 128 V N 2.741 122.536 119.914 -0.198 0.000 2.481 128 V HA 0.627 4.748 4.120 0.001 0.000 0.286 128 V C -0.477 175.438 176.094 -0.298 0.000 1.042 128 V CA -0.634 61.509 62.300 -0.261 0.000 0.928 128 V CB 1.325 32.996 31.823 -0.252 0.000 0.986 128 V HN 0.301 nan 8.190 nan 0.000 0.462 129 R N 4.112 124.373 120.500 -0.398 0.000 2.500 129 R HA 0.472 4.813 4.340 0.001 0.000 0.299 129 R C -0.420 175.597 176.300 -0.472 0.000 1.038 129 R CA -0.351 55.432 56.100 -0.528 0.000 0.903 129 R CB 1.893 31.658 30.300 -0.892 0.000 1.177 129 R HN 0.914 nan 8.270 nan 0.000 0.455 130 E N 1.405 121.433 120.200 -0.287 0.000 2.376 130 E HA 0.221 4.571 4.350 0.001 0.000 0.254 130 E C 0.105 176.745 176.600 0.065 0.000 1.213 130 E CA -0.729 55.580 56.400 -0.152 0.000 0.945 130 E CB 0.494 30.110 29.700 -0.139 0.000 1.057 130 E HN 0.242 nan 8.360 nan 0.000 0.479 131 R N 0.508 121.067 120.500 0.099 0.000 3.863 131 R HA -0.185 4.156 4.340 0.001 0.000 0.313 131 R C -0.988 175.439 176.300 0.212 0.000 1.202 131 R CA 0.938 57.129 56.100 0.152 0.000 0.852 131 R CB -2.759 27.619 30.300 0.130 0.000 1.292 131 R HN 0.586 nan 8.270 nan 0.000 0.519 132 H N 0.106 119.169 119.070 -0.011 0.000 2.638 132 H HA 0.288 4.845 4.556 0.002 0.000 0.317 132 H C -0.109 175.228 175.328 0.016 0.000 1.006 132 H CA -0.563 55.493 56.048 0.014 0.000 1.222 132 H CB 1.560 31.264 29.762 -0.096 0.000 1.419 132 H HN 0.100 nan 8.280 nan 0.000 0.489 133 E N 4.180 124.462 120.200 0.137 0.000 2.109 133 E HA 0.212 4.563 4.350 0.001 0.000 0.278 133 E C -0.613 176.072 176.600 0.142 0.000 0.954 133 E CA -0.755 55.710 56.400 0.109 0.000 0.779 133 E CB 1.054 30.802 29.700 0.080 0.000 1.093 133 E HN 0.288 nan 8.360 nan 0.000 0.401 134 V N 6.708 126.691 119.914 0.115 0.000 2.572 134 V HA -0.031 4.090 4.120 0.001 0.000 0.291 134 V C 1.122 177.280 176.094 0.106 0.000 1.039 134 V CA 0.060 62.438 62.300 0.129 0.000 1.055 134 V CB 0.909 32.780 31.823 0.080 0.000 0.969 134 V HN 0.796 nan 8.190 nan 0.000 0.482 135 I N 1.635 122.270 120.570 0.110 0.000 3.300 135 I HA 0.298 4.469 4.170 0.001 0.000 0.279 135 I C 0.438 176.604 176.117 0.082 0.000 1.172 135 I CA 0.906 62.255 61.300 0.082 0.000 1.431 135 I CB -0.005 38.033 38.000 0.063 0.000 1.240 135 I HN 0.582 nan 8.210 nan 0.000 0.453 136 D N 0.260 120.715 120.400 0.092 0.000 2.736 136 D HA 0.329 4.970 4.640 0.001 0.000 0.223 136 D C -0.923 175.436 176.300 0.098 0.000 1.231 136 D CA -0.191 53.869 54.000 0.100 0.000 0.818 136 D CB 3.783 44.640 40.800 0.096 0.000 1.587 136 D HN -0.338 nan 8.370 nan 0.000 0.463 137 V N 1.743 121.721 119.914 0.107 0.000 2.509 137 V HA 0.366 4.487 4.120 0.001 0.000 0.284 137 V C 0.280 176.379 176.094 0.009 0.000 1.047 137 V CA -0.533 61.783 62.300 0.026 0.000 0.952 137 V CB 1.261 33.081 31.823 -0.004 0.000 0.988 137 V HN 0.293 nan 8.190 nan 0.000 0.469 138 L N 4.849 126.006 121.223 -0.111 0.000 2.309 138 L HA 0.608 4.949 4.340 0.001 0.000 0.282 138 L C -0.842 175.865 176.870 -0.271 0.000 1.036 138 L CA -0.169 54.644 54.840 -0.044 0.000 0.806 138 L CB 1.207 43.280 42.059 0.024 0.000 1.220 138 L HN 0.443 nan 8.230 nan 0.000 0.429 139 F N 1.115 121.073 119.950 0.014 0.000 2.508 139 F HA 0.581 5.109 4.527 0.001 0.000 0.325 139 F C 0.037 175.826 175.800 -0.018 0.000 1.090 139 F CA -0.610 57.388 58.000 -0.003 0.000 0.945 139 F CB 2.155 41.154 39.000 -0.002 0.000 1.156 139 F HN 0.367 nan 8.300 nan 0.000 0.463 140 E N 0.338 120.617 120.200 0.132 0.000 2.352 140 E HA 0.515 4.865 4.350 0.001 0.000 0.280 140 E C 0.063 176.697 176.600 0.057 0.000 0.930 140 E CA -0.225 56.212 56.400 0.061 0.000 0.765 140 E CB 1.798 31.490 29.700 -0.013 0.000 1.219 140 E HN 0.800 nan 8.360 nan 0.000 0.434 141 G N 3.364 112.189 108.800 0.042 0.000 2.283 141 G HA2 -0.353 3.608 3.960 0.001 0.000 0.280 141 G HA3 -0.353 3.608 3.960 0.001 0.000 0.280 141 G C 0.126 175.055 174.900 0.049 0.000 1.029 141 G CA 0.876 45.994 45.100 0.030 0.000 0.840 141 G HN 0.772 nan 8.290 nan 0.000 0.505 142 E N -2.522 117.725 120.200 0.078 0.000 2.971 142 E HA -0.260 4.091 4.350 0.001 0.000 0.278 142 E C 0.668 177.369 176.600 0.168 0.000 1.009 142 E CA 1.349 57.800 56.400 0.085 0.000 0.862 142 E CB -0.609 29.105 29.700 0.023 0.000 1.436 142 E HN 0.874 nan 8.360 nan 0.000 0.434 143 R N 0.175 120.804 120.500 0.216 0.000 2.686 143 R HA 0.664 5.005 4.340 0.001 0.000 0.286 143 R C -0.787 175.569 176.300 0.092 0.000 0.969 143 R CA -0.069 56.132 56.100 0.168 0.000 0.898 143 R CB 1.369 31.689 30.300 0.033 0.000 1.183 143 R HN 0.074 nan 8.270 nan 0.000 0.456 144 A N 2.670 125.406 122.820 -0.140 0.000 2.492 144 A HA 0.256 4.577 4.320 0.001 0.000 0.254 144 A C 0.822 178.206 177.584 -0.333 0.000 1.091 144 A CA -0.157 51.471 52.037 -0.681 0.000 0.768 144 A CB 0.291 18.970 19.000 -0.535 0.000 1.028 144 A HN 0.671 nan 8.150 nan 0.000 0.498 145 V N 0.202 119.927 119.914 -0.315 0.000 3.485 145 V HA 0.652 4.773 4.120 0.001 0.000 0.280 145 V C 0.686 176.747 176.094 -0.055 0.000 1.495 145 V CA 0.637 62.840 62.300 -0.162 0.000 1.018 145 V CB -0.535 31.194 31.823 -0.157 0.000 0.818 145 V HN 1.600 nan 8.190 nan 0.000 0.436 146 G N 0.154 108.926 108.800 -0.047 0.000 2.427 146 G HA2 0.589 4.550 3.960 0.001 0.000 0.306 146 G HA3 0.589 4.550 3.960 0.001 0.000 0.306 146 G C -1.557 173.376 174.900 0.055 0.000 1.280 146 G CA 0.161 45.330 45.100 0.115 0.000 0.837 146 G HN 1.185 nan 8.290 nan 0.000 0.482 147 V N -2.386 117.604 119.914 0.127 0.000 3.007 147 V HA 0.922 5.043 4.120 0.001 0.000 0.311 147 V C -0.419 175.780 176.094 0.175 0.000 1.120 147 V CA -1.151 61.223 62.300 0.122 0.000 0.980 147 V CB 1.837 33.727 31.823 0.113 0.000 1.033 147 V HN 1.140 nan 8.190 nan 0.000 0.429 148 R N 2.396 122.981 120.500 0.141 0.000 2.346 148 R HA 0.724 5.065 4.340 0.001 0.000 0.311 148 R C -1.336 175.063 176.300 0.165 0.000 0.983 148 R CA -0.433 55.726 56.100 0.098 0.000 0.880 148 R CB 1.469 31.796 30.300 0.044 0.000 1.100 148 R HN 1.015 nan 8.270 nan 0.000 0.453 149 Y N -0.029 120.278 120.300 0.012 0.000 2.638 149 Y HA 0.584 5.135 4.550 0.002 0.000 0.339 149 Y C -1.268 174.614 175.900 -0.030 0.000 1.084 149 Y CA -1.544 56.557 58.100 0.003 0.000 1.068 149 Y CB 1.285 39.758 38.460 0.022 0.000 1.294 149 Y HN 0.430 nan 8.280 nan 0.000 0.480 150 R N 2.153 122.698 120.500 0.075 0.000 2.393 150 R HA 0.332 4.673 4.340 0.001 0.000 0.310 150 R C -0.516 175.759 176.300 -0.042 0.000 0.968 150 R CA -0.942 55.126 56.100 -0.053 0.000 0.867 150 R CB 1.005 31.285 30.300 -0.033 0.000 1.124 150 R HN 0.883 nan 8.270 nan 0.000 0.450 151 N N 0.861 119.435 118.700 -0.210 0.000 2.381 151 N HA 0.047 4.788 4.740 0.001 0.000 0.289 151 N C 0.545 175.837 175.510 -0.363 0.000 1.288 151 N CA -0.292 52.395 53.050 -0.604 0.000 0.960 151 N CB -0.248 38.010 38.487 -0.383 0.000 1.116 151 N HN 0.323 nan 8.380 nan 0.000 0.557 152 T N -0.547 113.847 114.554 -0.266 0.000 2.720 152 T HA -0.149 4.201 4.350 0.001 0.000 0.268 152 T C 0.662 175.343 174.700 -0.031 0.000 1.037 152 T CA 1.591 63.666 62.100 -0.042 0.000 1.144 152 T CB -0.510 68.392 68.868 0.058 0.000 0.864 152 T HN 0.679 nan 8.240 nan 0.000 0.444 153 E N 0.949 121.125 120.200 -0.040 0.000 2.385 153 E HA 0.262 4.613 4.350 0.001 0.000 0.254 153 E C 1.386 177.959 176.600 -0.046 0.000 1.228 153 E CA -0.199 56.183 56.400 -0.030 0.000 0.956 153 E CB 0.070 29.757 29.700 -0.022 0.000 1.116 153 E HN 0.214 nan 8.360 nan 0.000 0.507 154 G N -0.014 108.766 108.800 -0.034 0.000 2.916 154 G HA2 0.050 4.011 3.960 0.001 0.000 0.205 154 G HA3 0.050 4.011 3.960 0.001 0.000 0.205 154 G C 0.282 175.149 174.900 -0.055 0.000 1.163 154 G CA -0.192 44.886 45.100 -0.036 0.000 0.821 154 G HN 0.184 nan 8.290 nan 0.000 0.515 155 V N 0.604 120.473 119.914 -0.074 0.000 2.508 155 V HA 0.142 4.262 4.120 0.001 0.000 0.281 155 V C 0.346 176.349 176.094 -0.151 0.000 1.041 155 V CA -0.573 61.670 62.300 -0.095 0.000 1.016 155 V CB 1.456 33.228 31.823 -0.085 0.000 0.984 155 V HN 0.400 nan 8.190 nan 0.000 0.478 156 E N 5.477 125.588 120.200 -0.148 0.000 2.130 156 E HA 0.526 4.877 4.350 0.001 0.000 0.284 156 E C -0.966 175.466 176.600 -0.279 0.000 1.018 156 E CA -0.269 56.012 56.400 -0.199 0.000 0.817 156 E CB 0.683 30.312 29.700 -0.118 0.000 1.078 156 E HN 0.582 nan 8.360 nan 0.000 0.396 157 L N 3.492 124.398 121.223 -0.528 0.000 2.183 157 L HA 0.644 4.984 4.340 0.001 0.000 0.253 157 L C -0.208 176.335 176.870 -0.545 0.000 1.048 157 L CA -1.307 53.194 54.840 -0.565 0.000 0.890 157 L CB 1.826 43.479 42.059 -0.677 0.000 1.476 157 L HN 0.561 nan 8.230 nan 0.000 0.455 158 M N 0.082 119.515 119.600 -0.280 0.000 2.593 158 M HA 0.744 5.225 4.480 0.001 0.000 0.290 158 M C -1.265 175.056 176.300 0.035 0.000 1.244 158 M CA -0.504 54.763 55.300 -0.057 0.000 0.857 158 M CB 2.720 35.312 32.600 -0.013 0.000 1.738 158 M HN 0.629 nan 8.290 nan 0.000 0.461 159 A N 0.714 123.571 122.820 0.061 0.000 2.572 159 A HA 0.850 5.171 4.320 0.001 0.000 0.295 159 A C -1.917 175.652 177.584 -0.025 0.000 1.072 159 A CA -0.617 51.412 52.037 -0.013 0.000 0.691 159 A CB 1.233 20.377 19.000 0.241 0.000 1.291 159 A HN 0.992 nan 8.150 nan 0.000 0.404 160 H N -0.404 118.781 119.070 0.192 0.000 2.747 160 H HA 0.850 5.407 4.556 0.001 0.000 0.371 160 H C -0.048 175.365 175.328 0.142 0.000 1.161 160 H CA -0.332 55.781 56.048 0.108 0.000 1.167 160 H CB 2.189 31.981 29.762 0.049 0.000 1.732 160 H HN 1.149 nan 8.280 nan 0.000 0.544 161 A N 0.979 123.917 122.820 0.198 0.000 2.601 161 A HA 0.323 4.644 4.320 0.001 0.000 0.291 161 A C 0.382 177.960 177.584 -0.011 0.000 1.075 161 A CA -0.842 51.274 52.037 0.131 0.000 0.671 161 A CB 1.534 20.637 19.000 0.171 0.000 1.277 161 A HN 0.838 nan 8.150 nan 0.000 0.417 162 R N -0.832 119.611 120.500 -0.095 0.000 2.115 162 R HA 0.096 4.437 4.340 0.001 0.000 0.226 162 R C -0.799 175.117 176.300 -0.640 0.000 1.100 162 R CA 1.409 57.270 56.100 -0.397 0.000 0.980 162 R CB -0.093 29.897 30.300 -0.516 0.000 0.875 162 R HN 0.554 nan 8.270 nan 0.000 0.445 163 F N 0.339 120.300 119.950 0.018 0.000 2.547 163 F HA 0.454 4.982 4.527 0.002 0.000 0.316 163 F C -0.387 175.414 175.800 0.001 0.000 1.121 163 F CA -1.175 56.831 58.000 0.011 0.000 0.911 163 F CB 1.801 40.831 39.000 0.050 0.000 1.179 163 F HN -0.243 nan 8.300 nan 0.000 0.443 164 I N 4.060 124.731 120.570 0.168 0.000 2.436 164 I HA 0.514 4.685 4.170 0.001 0.000 0.289 164 I C -0.732 175.447 176.117 0.104 0.000 1.010 164 I CA -0.885 60.464 61.300 0.082 0.000 1.098 164 I CB 1.530 39.527 38.000 -0.004 0.000 1.266 164 I HN 0.216 nan 8.210 nan 0.000 0.434 165 V N 4.511 124.468 119.914 0.072 0.000 2.487 165 V HA 0.264 4.385 4.120 0.001 0.000 0.298 165 V C -0.354 175.773 176.094 0.055 0.000 1.028 165 V CA -0.646 61.697 62.300 0.072 0.000 0.860 165 V CB 2.283 34.125 31.823 0.032 0.000 0.991 165 V HN 0.648 nan 8.190 nan 0.000 0.427 166 D N 4.275 124.728 120.400 0.088 0.000 2.352 166 D HA 0.488 5.129 4.640 0.001 0.000 0.245 166 D C 0.390 176.735 176.300 0.075 0.000 1.224 166 D CA -0.004 54.045 54.000 0.083 0.000 0.879 166 D CB 1.559 42.427 40.800 0.112 0.000 1.057 166 D HN 0.686 nan 8.370 nan 0.000 0.491 167 A N 2.894 125.741 122.820 0.046 0.000 2.749 167 A HA 0.188 4.509 4.320 0.001 0.000 0.299 167 A C 0.984 178.596 177.584 0.047 0.000 1.105 167 A CA -0.269 51.792 52.037 0.040 0.000 0.987 167 A CB -0.193 18.809 19.000 0.004 0.000 1.180 167 A HN 0.407 nan 8.150 nan 0.000 0.528 168 S N -0.825 114.912 115.700 0.061 0.000 2.660 168 S HA 0.470 4.941 4.470 0.001 0.000 0.227 168 S C 1.107 175.754 174.600 0.078 0.000 0.948 168 S CA 0.546 58.785 58.200 0.063 0.000 0.948 168 S CB -0.685 62.552 63.200 0.061 0.000 0.779 168 S HN 2.056 nan 8.310 nan 0.000 0.487 169 G N 3.266 112.118 108.800 0.087 0.000 2.698 169 G HA2 -0.349 3.612 3.960 0.001 0.000 0.233 169 G HA3 -0.349 3.612 3.960 0.001 0.000 0.233 169 G C 0.475 175.450 174.900 0.125 0.000 1.352 169 G CA -0.076 45.081 45.100 0.095 0.000 0.879 169 G HN 0.572 nan 8.290 nan 0.000 0.567 170 N N 0.093 118.877 118.700 0.140 0.000 2.309 170 N HA -0.104 4.637 4.740 0.001 0.000 0.182 170 N C 1.437 177.028 175.510 0.135 0.000 1.018 170 N CA 1.286 54.459 53.050 0.205 0.000 0.876 170 N CB -0.073 38.565 38.487 0.252 0.000 0.972 170 N HN 0.532 nan 8.380 nan 0.000 0.434 171 R N 1.191 121.758 120.500 0.112 0.000 2.449 171 R HA 0.081 4.422 4.340 0.001 0.000 0.262 171 R C 0.283 176.630 176.300 0.078 0.000 1.006 171 R CA -0.079 56.078 56.100 0.094 0.000 1.104 171 R CB -0.809 29.548 30.300 0.095 0.000 1.206 171 R HN 0.225 nan 8.270 nan 0.000 0.538 172 T N 1.503 116.102 114.554 0.074 0.000 2.923 172 T HA -0.069 4.282 4.350 0.001 0.000 0.304 172 T C 1.349 176.086 174.700 0.062 0.000 1.044 172 T CA 0.239 62.381 62.100 0.069 0.000 1.141 172 T CB 0.565 69.477 68.868 0.073 0.000 1.023 172 T HN 0.475 nan 8.240 nan 0.000 0.533 173 R N 3.154 123.694 120.500 0.067 0.000 2.397 173 R HA 0.257 4.598 4.340 0.001 0.000 0.241 173 R C 1.108 177.452 176.300 0.072 0.000 0.914 173 R CA 0.498 56.636 56.100 0.065 0.000 1.071 173 R CB -0.059 30.279 30.300 0.064 0.000 1.116 173 R HN 0.527 nan 8.270 nan 0.000 0.524 174 V N -2.576 117.387 119.914 0.081 0.000 3.502 174 V HA 0.160 4.281 4.120 0.001 0.000 0.288 174 V C 1.910 178.071 176.094 0.110 0.000 1.461 174 V CA 0.438 62.799 62.300 0.102 0.000 1.029 174 V CB 0.765 32.654 31.823 0.110 0.000 0.843 174 V HN 0.263 nan 8.190 nan 0.000 0.438 175 S N 1.886 117.641 115.700 0.091 0.000 2.419 175 S HA -0.269 4.202 4.470 0.001 0.000 0.233 175 S C 1.930 176.580 174.600 0.083 0.000 1.016 175 S CA 1.543 59.802 58.200 0.098 0.000 0.974 175 S CB -0.629 62.617 63.200 0.078 0.000 0.786 175 S HN 0.841 nan 8.310 nan 0.000 0.492 176 Q N 1.724 121.559 119.800 0.059 0.000 2.439 176 Q HA 0.103 4.444 4.340 0.001 0.000 0.211 176 Q C 1.916 177.933 176.000 0.028 0.000 0.978 176 Q CA 1.413 57.237 55.803 0.035 0.000 0.897 176 Q CB -0.868 27.884 28.738 0.024 0.000 0.956 176 Q HN 0.678 nan 8.270 nan 0.000 0.483 177 A N 0.647 123.509 122.820 0.070 0.000 2.067 177 A HA 0.027 4.348 4.320 0.001 0.000 0.219 177 A C 2.129 179.748 177.584 0.059 0.000 1.158 177 A CA 1.229 53.305 52.037 0.065 0.000 0.661 177 A CB -0.113 19.044 19.000 0.262 0.000 0.801 177 A HN 0.224 nan 8.150 nan 0.000 0.452 178 V N -1.794 118.176 119.914 0.093 0.000 2.690 178 V HA 0.393 4.514 4.120 0.001 0.000 0.240 178 V C 1.269 177.371 176.094 0.013 0.000 1.078 178 V CA 1.183 63.531 62.300 0.080 0.000 1.102 178 V CB 0.095 32.019 31.823 0.167 0.000 0.800 178 V HN 0.668 nan 8.190 nan 0.000 0.479 179 G N -0.909 107.905 108.800 0.024 0.000 2.600 179 G HA2 0.469 4.430 3.960 0.001 0.000 0.293 179 G HA3 0.469 4.430 3.960 0.001 0.000 0.293 179 G C -1.730 173.165 174.900 -0.009 0.000 1.408 179 G CA -0.404 44.688 45.100 -0.012 0.000 0.782 179 G HN 0.021 nan 8.290 nan 0.000 0.482 180 E N 0.109 120.293 120.200 -0.026 0.000 2.227 180 E HA 0.359 4.710 4.350 0.001 0.000 0.282 180 E C 0.026 176.607 176.600 -0.031 0.000 1.015 180 E CA -0.667 55.721 56.400 -0.020 0.000 0.823 180 E CB 1.084 30.776 29.700 -0.014 0.000 1.081 180 E HN 0.475 nan 8.360 nan 0.000 0.396 181 R N 3.683 124.144 120.500 -0.065 0.000 2.298 181 R HA 0.239 4.580 4.340 0.001 0.000 0.310 181 R C -1.300 174.909 176.300 -0.151 0.000 1.068 181 R CA -0.335 55.671 56.100 -0.157 0.000 0.957 181 R CB 0.749 30.835 30.300 -0.356 0.000 1.003 181 R HN 0.274 nan 8.270 nan 0.000 0.454 182 V N 6.447 126.333 119.914 -0.047 0.000 2.378 182 V HA 0.256 4.377 4.120 0.001 0.000 0.288 182 V C -0.878 175.364 176.094 0.247 0.000 1.016 182 V CA -0.759 61.620 62.300 0.132 0.000 0.840 182 V CB 1.105 33.066 31.823 0.231 0.000 0.994 182 V HN 0.662 nan 8.190 nan 0.000 0.431 183 Y N 2.196 122.681 120.300 0.308 0.000 2.359 183 Y HA 0.286 4.837 4.550 0.001 0.000 0.330 183 Y C 1.160 177.042 175.900 -0.030 0.000 1.143 183 Y CA 0.272 58.518 58.100 0.242 0.000 1.318 183 Y CB 1.156 39.712 38.460 0.160 0.000 1.234 183 Y HN 0.618 nan 8.280 nan 0.000 0.522 184 S N 2.963 118.623 115.700 -0.067 0.000 2.531 184 S HA 0.148 4.618 4.470 0.001 0.000 0.279 184 S C 1.075 175.614 174.600 -0.102 0.000 1.305 184 S CA -0.613 57.325 58.200 -0.437 0.000 1.058 184 S CB 0.489 63.657 63.200 -0.053 0.000 0.899 184 S HN 0.790 nan 8.310 nan 0.000 0.493 185 R N 2.799 123.218 120.500 -0.136 0.000 2.240 185 R HA 0.038 4.379 4.340 0.001 0.000 0.203 185 R C 1.422 177.640 176.300 -0.136 0.000 1.011 185 R CA 0.740 56.790 56.100 -0.084 0.000 1.007 185 R CB -0.174 30.093 30.300 -0.056 0.000 0.911 185 R HN 0.760 nan 8.270 nan 0.000 0.468 186 F N 0.559 120.324 119.950 -0.308 0.000 2.098 186 F HA -0.038 4.490 4.527 0.002 0.000 0.294 186 F C 0.696 176.082 175.800 -0.690 0.000 1.107 186 F CA 1.119 58.783 58.000 -0.560 0.000 1.234 186 F CB 0.117 38.641 39.000 -0.794 0.000 1.002 186 F HN -0.194 nan 8.300 nan 0.000 0.472 187 F N 1.512 121.394 119.950 -0.113 0.000 2.833 187 F HA 0.226 4.754 4.527 0.001 0.000 0.327 187 F C 0.699 176.367 175.800 -0.219 0.000 1.184 187 F CA -0.113 57.775 58.000 -0.186 0.000 1.328 187 F CB -0.923 38.070 39.000 -0.012 0.000 1.440 187 F HN 0.003 nan 8.300 nan 0.000 0.569 188 Q N 1.863 121.542 119.800 -0.201 0.000 3.181 188 Q HA 0.211 4.552 4.340 0.001 0.000 0.293 188 Q C -0.727 175.170 176.000 -0.171 0.000 1.406 188 Q CA 0.002 55.696 55.803 -0.182 0.000 1.026 188 Q CB -0.249 28.370 28.738 -0.198 0.000 1.630 188 Q HN 0.561 nan 8.270 nan 0.000 0.553 189 N N -0.369 118.243 118.700 -0.148 0.000 2.328 189 N HA 0.583 5.324 4.740 0.001 0.000 0.299 189 N C -1.446 174.064 175.510 0.000 0.000 1.179 189 N CA -0.954 52.106 53.050 0.017 0.000 0.793 189 N CB 2.120 40.781 38.487 0.289 0.000 1.366 189 N HN 0.091 nan 8.380 nan 0.000 0.493 190 V N -1.818 118.175 119.914 0.131 0.000 2.604 190 V HA 0.915 5.036 4.120 0.001 0.000 0.305 190 V C -0.468 175.759 176.094 0.221 0.000 1.043 190 V CA -0.907 61.508 62.300 0.191 0.000 0.888 190 V CB 1.078 32.962 31.823 0.103 0.000 0.995 190 V HN 0.761 nan 8.190 nan 0.000 0.429 191 A N 4.785 127.809 122.820 0.339 0.000 2.305 191 A HA 0.890 5.211 4.320 0.001 0.000 0.322 191 A C -0.867 176.827 177.584 0.184 0.000 1.187 191 A CA -0.605 51.578 52.037 0.243 0.000 0.825 191 A CB 1.271 20.525 19.000 0.423 0.000 1.164 191 A HN 1.454 nan 8.150 nan 0.000 0.498 192 L N 3.496 124.726 121.223 0.011 0.000 2.372 192 L HA 0.728 5.069 4.340 0.001 0.000 0.274 192 L C -1.232 175.606 176.870 -0.053 0.000 0.988 192 L CA -0.377 54.432 54.840 -0.051 0.000 0.833 192 L CB 1.191 43.184 42.059 -0.110 0.000 1.236 192 L HN 0.709 nan 8.230 nan 0.000 0.410 193 Y N 2.737 122.979 120.300 -0.096 0.000 2.534 193 Y HA 0.982 5.533 4.550 0.002 0.000 0.345 193 Y C -0.232 175.636 175.900 -0.053 0.000 1.031 193 Y CA -0.541 57.475 58.100 -0.140 0.000 1.022 193 Y CB 1.490 39.907 38.460 -0.071 0.000 1.292 193 Y HN 0.679 nan 8.280 nan 0.000 0.459 194 G N 1.030 109.840 108.800 0.017 0.000 2.975 194 G HA2 0.598 4.559 3.960 0.001 0.000 0.291 194 G HA3 0.598 4.559 3.960 0.001 0.000 0.291 194 G C -2.462 172.296 174.900 -0.237 0.000 1.334 194 G CA -1.191 43.868 45.100 -0.069 0.000 0.843 194 G HN 0.601 nan 8.290 nan 0.000 0.548 195 Y N -1.094 119.188 120.300 -0.030 0.000 2.442 195 Y HA 0.681 5.232 4.550 0.001 0.000 0.344 195 Y C -0.856 174.890 175.900 -0.257 0.000 0.976 195 Y CA -0.555 57.570 58.100 0.042 0.000 1.040 195 Y CB 2.536 41.078 38.460 0.137 0.000 1.228 195 Y HN 0.364 nan 8.280 nan 0.000 0.451 196 F N 0.904 120.935 119.950 0.134 0.000 2.551 196 F HA 0.492 5.020 4.527 0.002 0.000 0.316 196 F C -0.221 175.606 175.800 0.046 0.000 1.089 196 F CA -0.988 57.053 58.000 0.069 0.000 0.915 196 F CB 1.937 40.957 39.000 0.032 0.000 1.186 196 F HN 0.355 nan 8.300 nan 0.000 0.456 197 E N 0.955 121.268 120.200 0.189 0.000 2.179 197 E HA 0.360 4.710 4.350 0.001 0.000 0.275 197 E C -0.690 175.979 176.600 0.115 0.000 0.945 197 E CA -0.612 55.853 56.400 0.110 0.000 0.792 197 E CB 1.038 30.774 29.700 0.059 0.000 1.125 197 E HN 0.709 nan 8.360 nan 0.000 0.397 198 N N 0.543 119.292 118.700 0.083 0.000 2.869 198 N HA -0.154 4.587 4.740 0.001 0.000 0.249 198 N C -0.104 175.450 175.510 0.073 0.000 1.104 198 N CA 0.270 53.358 53.050 0.064 0.000 0.760 198 N CB -0.872 37.644 38.487 0.049 0.000 1.108 198 N HN 0.563 nan 8.380 nan 0.000 0.555 199 G N 0.134 108.999 108.800 0.109 0.000 2.537 199 G HA2 0.386 4.347 3.960 0.001 0.000 0.273 199 G HA3 0.386 4.347 3.960 0.001 0.000 0.273 199 G C 0.241 175.213 174.900 0.120 0.000 1.189 199 G CA -0.512 44.674 45.100 0.144 0.000 0.881 199 G HN 0.070 nan 8.290 nan 0.000 0.535 200 K N -0.005 120.421 120.400 0.042 0.000 2.132 200 K HA 0.336 4.657 4.320 0.001 0.000 0.240 200 K C 0.116 176.700 176.600 -0.027 0.000 1.036 200 K CA -0.093 56.094 56.287 -0.166 0.000 0.888 200 K CB 0.486 32.635 32.500 -0.585 0.000 1.071 200 K HN 0.333 nan 8.250 nan 0.000 0.502 201 R N 0.488 120.910 120.500 -0.131 0.000 2.888 201 R HA 0.389 4.730 4.340 0.001 0.000 0.266 201 R C -0.112 176.223 176.300 0.058 0.000 1.020 201 R CA -1.001 55.148 56.100 0.082 0.000 0.963 201 R CB 0.787 31.131 30.300 0.072 0.000 1.197 201 R HN 0.432 nan 8.270 nan 0.000 0.481 202 L N 2.629 123.978 121.223 0.210 0.000 2.483 202 L HA 0.155 4.496 4.340 0.001 0.000 0.275 202 L C -1.704 175.200 176.870 0.056 0.000 1.220 202 L CA -1.277 53.659 54.840 0.159 0.000 0.833 202 L CB 0.015 42.133 42.059 0.099 0.000 1.102 202 L HN 0.243 nan 8.230 nan 0.000 0.490 203 P HA 0.241 nan 4.420 nan 0.000 0.293 203 P C -0.071 177.232 177.300 0.005 0.000 1.298 203 P CA 0.245 63.351 63.100 0.009 0.000 0.757 203 P CB 0.426 32.133 31.700 0.012 0.000 1.262 204 A N -0.576 122.244 122.820 -0.000 0.000 5.700 204 A HA -0.170 4.151 4.320 0.001 0.000 0.288 204 A C -1.560 176.022 177.584 -0.003 0.000 2.009 204 A CA 1.144 53.180 52.037 -0.002 0.000 0.716 204 A CB -3.033 15.966 19.000 -0.002 0.000 1.208 204 A HN 0.581 nan 8.150 nan 0.000 0.371 205 P HA 0.290 nan 4.420 nan 0.000 0.254 205 P C 0.391 177.686 177.300 -0.009 0.000 1.494 205 P CA 0.369 63.466 63.100 -0.006 0.000 0.961 205 P CB -0.042 31.654 31.700 -0.008 0.000 1.493 206 R N -0.149 120.345 120.500 -0.009 0.000 2.466 206 R HA 0.169 4.510 4.340 0.001 0.000 0.279 206 R C 1.372 177.675 176.300 0.006 0.000 0.976 206 R CA 0.035 56.123 56.100 -0.020 0.000 1.081 206 R CB 0.032 30.308 30.300 -0.040 0.000 1.215 206 R HN 0.083 nan 8.270 nan 0.000 0.546 207 Q N -0.569 119.245 119.800 0.023 0.000 2.234 207 Q HA -0.096 4.244 4.340 0.001 0.000 0.206 207 Q C 1.800 177.842 176.000 0.071 0.000 0.980 207 Q CA 1.681 57.515 55.803 0.051 0.000 0.869 207 Q CB -0.003 28.761 28.738 0.042 0.000 0.912 207 Q HN 0.409 nan 8.270 nan 0.000 0.436 208 G N -0.800 108.033 108.800 0.055 0.000 3.088 208 G HA2 0.016 3.977 3.960 0.001 0.000 0.217 208 G HA3 0.016 3.977 3.960 0.001 0.000 0.217 208 G C 0.028 174.962 174.900 0.058 0.000 1.159 208 G CA -0.424 44.720 45.100 0.073 0.000 0.760 208 G HN 0.136 nan 8.290 nan 0.000 0.550 209 N N 0.418 119.125 118.700 0.011 0.000 2.453 209 N HA 0.154 4.894 4.740 0.001 0.000 0.253 209 N C -0.040 175.458 175.510 -0.020 0.000 1.252 209 N CA -0.342 52.675 53.050 -0.055 0.000 0.917 209 N CB 1.425 39.823 38.487 -0.149 0.000 1.117 209 N HN 0.173 nan 8.380 nan 0.000 0.442 210 I N 1.425 121.960 120.570 -0.059 0.000 2.575 210 I HA 0.157 4.328 4.170 0.001 0.000 0.285 210 I C -0.690 175.344 176.117 -0.138 0.000 1.085 210 I CA -0.547 60.734 61.300 -0.031 0.000 1.403 210 I CB 0.531 38.519 38.000 -0.020 0.000 1.409 210 I HN 0.318 nan 8.210 nan 0.000 0.557 211 L N 7.200 128.399 121.223 -0.041 0.000 2.313 211 L HA 0.516 4.856 4.340 0.001 0.000 0.283 211 L C -0.974 175.850 176.870 -0.076 0.000 1.013 211 L CA 0.279 55.021 54.840 -0.163 0.000 0.816 211 L CB 1.703 43.661 42.059 -0.167 0.000 1.236 211 L HN 0.556 nan 8.230 nan 0.000 0.419 212 S N 3.979 119.516 115.700 -0.272 0.000 2.502 212 S HA 0.928 5.399 4.470 0.001 0.000 0.304 212 S C -0.752 173.985 174.600 0.227 0.000 1.097 212 S CA -0.442 57.808 58.200 0.084 0.000 1.045 212 S CB 1.718 64.858 63.200 -0.100 0.000 1.019 212 S HN 0.925 nan 8.310 nan 0.000 0.481 213 A N 1.992 125.096 122.820 0.473 0.000 2.385 213 A HA 0.812 5.133 4.320 0.001 0.000 0.290 213 A C -0.154 177.738 177.584 0.512 0.000 1.094 213 A CA -0.725 51.535 52.037 0.372 0.000 0.729 213 A CB 0.759 19.836 19.000 0.127 0.000 1.194 213 A HN 1.046 nan 8.150 nan 0.000 0.442 214 A N 2.197 125.199 122.820 0.305 0.000 2.425 214 A HA 0.751 5.071 4.320 0.001 0.000 0.249 214 A C -0.060 177.700 177.584 0.293 0.000 1.084 214 A CA 0.067 52.196 52.037 0.152 0.000 0.781 214 A CB -0.280 18.320 19.000 -0.666 0.000 1.019 214 A HN 1.794 nan 8.150 nan 0.000 0.490 215 F N -0.902 119.136 119.950 0.146 0.000 2.922 215 F HA 0.552 5.080 4.527 0.001 0.000 0.345 215 F C 0.979 176.889 175.800 0.183 0.000 1.209 215 F CA -0.838 57.230 58.000 0.113 0.000 1.018 215 F CB 1.010 40.090 39.000 0.134 0.000 1.472 215 F HN 0.499 nan 8.300 nan 0.000 0.521 216 Q N -0.240 119.552 119.800 -0.012 0.000 2.167 216 Q HA -0.102 4.239 4.340 0.001 0.000 0.202 216 Q C 0.266 176.101 176.000 -0.276 0.000 0.970 216 Q CA 2.036 57.818 55.803 -0.035 0.000 0.855 216 Q CB -0.110 28.683 28.738 0.092 0.000 0.911 216 Q HN 0.674 nan 8.270 nan 0.000 0.438 217 D N -1.136 118.721 120.400 -0.904 0.000 2.395 217 D HA 0.265 4.905 4.640 0.001 0.000 0.213 217 D C 0.166 175.562 176.300 -1.507 0.000 1.110 217 D CA 0.746 54.240 54.000 -0.844 0.000 0.835 217 D CB 1.186 41.753 40.800 -0.388 0.000 0.965 217 D HN 0.382 nan 8.370 nan 0.000 0.505 218 G N -0.124 107.577 108.800 -1.831 0.000 2.384 218 G HA2 0.148 4.109 3.960 0.001 0.000 0.150 218 G HA3 0.148 4.109 3.960 0.001 0.000 0.150 218 G C -1.712 172.860 174.900 -0.548 0.000 1.269 218 G CA -0.379 43.541 45.100 -1.967 0.000 1.094 218 G HN 0.050 nan 8.290 nan 0.000 0.467 219 W N -0.834 120.295 121.300 -0.286 0.000 3.137 219 W HA 0.797 5.458 4.660 0.002 0.000 0.324 219 W C -2.339 174.273 176.519 0.154 0.000 1.253 219 W CA -1.898 55.590 57.345 0.237 0.000 1.183 219 W CB 0.566 30.256 29.460 0.383 0.000 1.424 219 W HN 0.430 nan 8.180 nan 0.000 0.566 220 F N 2.000 122.195 119.950 0.409 0.000 2.492 220 F HA 0.515 5.043 4.527 0.001 0.000 0.327 220 F C -0.060 175.966 175.800 0.376 0.000 1.079 220 F CA -0.442 57.601 58.000 0.072 0.000 0.967 220 F CB 1.258 40.218 39.000 -0.066 0.000 1.169 220 F HN 0.401 nan 8.300 nan 0.000 0.472 221 W N 3.554 125.053 121.300 0.331 0.000 2.509 221 W HA 0.636 5.297 4.660 0.001 0.000 0.351 221 W C -2.074 174.619 176.519 0.289 0.000 1.107 221 W CA -1.952 55.594 57.345 0.336 0.000 1.264 221 W CB 0.423 30.037 29.460 0.256 0.000 1.312 221 W HN 0.488 nan 8.180 nan 0.000 0.608 222 Y N 4.100 124.607 120.300 0.346 0.000 2.359 222 Y HA 0.484 5.035 4.550 0.001 0.000 0.336 222 Y C -1.459 174.563 175.900 0.204 0.000 1.098 222 Y CA -1.199 56.998 58.100 0.162 0.000 1.272 222 Y CB 0.553 39.001 38.460 -0.020 0.000 1.112 222 Y HN 0.478 nan 8.280 nan 0.000 0.481 223 I N 8.629 129.278 120.570 0.132 0.000 2.382 223 I HA 0.403 4.574 4.170 0.001 0.000 0.286 223 I C -2.433 173.683 176.117 -0.001 0.000 1.002 223 I CA -2.238 59.130 61.300 0.114 0.000 1.135 223 I CB 1.927 40.019 38.000 0.153 0.000 1.288 223 I HN 0.375 nan 8.210 nan 0.000 0.448 224 P HA 0.203 nan 4.420 nan 0.000 0.282 224 P C 0.138 177.476 177.300 0.063 0.000 1.262 224 P CA -0.148 62.967 63.100 0.024 0.000 0.773 224 P CB 1.457 33.203 31.700 0.078 0.000 0.879 225 L N 1.790 123.048 121.223 0.058 0.000 2.425 225 L HA 0.107 4.448 4.340 0.001 0.000 0.215 225 L C 1.421 178.338 176.870 0.078 0.000 1.065 225 L CA 0.688 55.573 54.840 0.075 0.000 0.842 225 L CB -0.048 42.046 42.059 0.058 0.000 1.033 225 L HN 0.493 nan 8.230 nan 0.000 0.474 226 S N -3.072 112.657 115.700 0.048 0.000 2.880 226 S HA 0.248 4.719 4.470 0.001 0.000 0.308 226 S C 0.164 174.787 174.600 0.039 0.000 1.195 226 S CA -0.704 57.523 58.200 0.045 0.000 0.866 226 S CB 1.079 64.291 63.200 0.019 0.000 1.254 226 S HN -0.073 nan 8.310 nan 0.000 0.571 227 D N 1.386 121.804 120.400 0.031 0.000 2.178 227 D HA -0.027 4.613 4.640 0.001 0.000 0.201 227 D C 1.794 178.110 176.300 0.027 0.000 0.980 227 D CA 2.225 56.242 54.000 0.029 0.000 0.842 227 D CB -0.288 40.525 40.800 0.020 0.000 0.948 227 D HN 0.781 nan 8.370 nan 0.000 0.472 228 T N -1.478 113.087 114.554 0.018 0.000 3.040 228 T HA 0.110 4.461 4.350 0.001 0.000 0.252 228 T C 0.791 175.505 174.700 0.022 0.000 1.064 228 T CA -0.317 61.795 62.100 0.020 0.000 1.110 228 T CB 0.370 69.243 68.868 0.009 0.000 0.921 228 T HN -0.108 nan 8.240 nan 0.000 0.480 229 L N 2.612 123.837 121.223 0.004 0.000 2.295 229 L HA 0.613 4.954 4.340 0.001 0.000 0.285 229 L C -1.017 175.867 176.870 0.023 0.000 1.035 229 L CA -0.002 54.837 54.840 -0.002 0.000 0.806 229 L CB 1.579 43.576 42.059 -0.103 0.000 1.214 229 L HN 0.071 nan 8.230 nan 0.000 0.426 230 T N 2.666 117.254 114.554 0.057 0.000 2.841 230 T HA 0.320 4.671 4.350 0.001 0.000 0.285 230 T C -0.522 174.240 174.700 0.104 0.000 0.991 230 T CA -0.514 61.564 62.100 -0.035 0.000 0.966 230 T CB 1.427 70.080 68.868 -0.358 0.000 0.962 230 T HN 0.589 nan 8.240 nan 0.000 0.438 231 S N 2.513 118.281 115.700 0.113 0.000 2.499 231 S HA 0.570 5.041 4.470 0.001 0.000 0.275 231 S C -0.452 174.178 174.600 0.049 0.000 1.257 231 S CA -0.441 57.799 58.200 0.068 0.000 1.050 231 S CB 0.006 63.383 63.200 0.295 0.000 0.937 231 S HN 0.519 nan 8.310 nan 0.000 0.490 232 V N 4.216 124.087 119.914 -0.073 0.000 2.569 232 V HA 0.771 4.892 4.120 0.001 0.000 0.301 232 V C 0.428 176.217 176.094 -0.508 0.000 1.044 232 V CA -0.479 61.682 62.300 -0.231 0.000 0.874 232 V CB 1.638 33.425 31.823 -0.061 0.000 1.002 232 V HN 1.021 nan 8.190 nan 0.000 0.424 233 G N 2.711 110.712 108.800 -1.331 0.000 2.662 233 G HA2 0.747 4.708 3.960 0.001 0.000 0.302 233 G HA3 0.747 4.708 3.960 0.001 0.000 0.302 233 G C -0.902 173.242 174.900 -1.259 0.000 1.389 233 G CA -0.317 43.799 45.100 -1.639 0.000 0.998 233 G HN 1.076 nan 8.290 nan 0.000 0.502 234 A N 1.274 123.480 122.820 -1.023 0.000 2.276 234 A HA 0.683 5.004 4.320 0.001 0.000 0.316 234 A C -0.354 176.759 177.584 -0.785 0.000 1.229 234 A CA -0.510 50.770 52.037 -1.262 0.000 0.851 234 A CB 1.297 19.518 19.000 -1.298 0.000 1.165 234 A HN 0.951 nan 8.150 nan 0.000 0.513 235 V N 4.728 124.137 119.914 -0.841 0.000 2.328 235 V HA 0.475 4.596 4.120 0.001 0.000 0.278 235 V C 0.321 176.073 176.094 -0.570 0.000 1.021 235 V CA -0.156 61.804 62.300 -0.567 0.000 0.838 235 V CB 0.531 31.878 31.823 -0.794 0.000 0.999 235 V HN 0.924 nan 8.190 nan 0.000 0.447 236 V N 2.233 121.937 119.914 -0.350 0.000 3.145 236 V HA 0.814 4.935 4.120 0.001 0.000 0.311 236 V C 0.287 176.437 176.094 0.094 0.000 1.238 236 V CA -0.752 61.318 62.300 -0.384 0.000 1.066 236 V CB 1.984 33.498 31.823 -0.514 0.000 1.144 236 V HN 0.774 nan 8.190 nan 0.000 0.465 237 S N 0.129 115.935 115.700 0.176 0.000 2.562 237 S HA 0.239 4.710 4.470 0.001 0.000 0.281 237 S C 1.032 175.665 174.600 0.055 0.000 1.333 237 S CA 0.399 58.676 58.200 0.127 0.000 1.052 237 S CB 0.593 63.840 63.200 0.079 0.000 0.884 237 S HN 0.988 nan 8.310 nan 0.000 0.506 238 R N 1.270 121.773 120.500 0.006 0.000 2.117 238 R HA -0.175 4.166 4.340 0.001 0.000 0.243 238 R C 1.487 177.804 176.300 0.028 0.000 1.143 238 R CA 2.136 58.237 56.100 0.002 0.000 0.968 238 R CB -0.357 29.918 30.300 -0.042 0.000 0.863 238 R HN 0.820 nan 8.270 nan 0.000 0.444 239 E N -0.049 120.177 120.200 0.044 0.000 2.106 239 E HA -0.113 4.238 4.350 0.001 0.000 0.192 239 E C 1.764 178.413 176.600 0.083 0.000 0.984 239 E CA 1.353 57.794 56.400 0.068 0.000 0.806 239 E CB -0.215 29.552 29.700 0.112 0.000 0.750 239 E HN 0.451 nan 8.360 nan 0.000 0.458 240 A N 0.942 123.824 122.820 0.104 0.000 1.972 240 A HA -0.055 4.266 4.320 0.001 0.000 0.219 240 A C 2.349 179.999 177.584 0.111 0.000 1.169 240 A CA 1.661 53.773 52.037 0.124 0.000 0.635 240 A CB -0.738 18.358 19.000 0.160 0.000 0.810 240 A HN 0.278 nan 8.150 nan 0.000 0.446 241 A N 0.321 123.194 122.820 0.088 0.000 1.940 241 A HA -0.178 4.143 4.320 0.001 0.000 0.219 241 A C 1.661 179.289 177.584 0.074 0.000 1.176 241 A CA 1.499 53.583 52.037 0.079 0.000 0.631 241 A CB -0.552 18.487 19.000 0.065 0.000 0.814 241 A HN 0.649 nan 8.150 nan 0.000 0.446 242 E N -0.736 119.501 120.200 0.062 0.000 2.520 242 E HA 0.193 4.544 4.350 0.001 0.000 0.201 242 E C 0.783 177.414 176.600 0.050 0.000 1.122 242 E CA 0.330 56.761 56.400 0.052 0.000 0.896 242 E CB -0.144 29.579 29.700 0.038 0.000 0.891 242 E HN 0.596 nan 8.360 nan 0.000 0.533 243 A N 0.470 123.325 122.820 0.059 0.000 2.665 243 A HA 0.171 4.492 4.320 0.001 0.000 0.268 243 A C 1.324 178.940 177.584 0.053 0.000 1.044 243 A CA -0.365 51.702 52.037 0.050 0.000 0.993 243 A CB -0.230 18.796 19.000 0.042 0.000 1.229 243 A HN 0.282 nan 8.150 nan 0.000 0.576 244 I N -4.170 116.444 120.570 0.073 0.000 3.860 244 I HA 0.368 4.539 4.170 0.001 0.000 0.319 244 I C 0.508 176.702 176.117 0.129 0.000 1.279 244 I CA -0.056 61.289 61.300 0.074 0.000 1.220 244 I CB 0.176 38.220 38.000 0.073 0.000 1.027 244 I HN -0.182 nan 8.210 nan 0.000 0.428 245 K N 2.355 122.832 120.400 0.129 0.000 2.319 245 K HA 0.009 4.330 4.320 0.001 0.000 0.265 245 K C -0.086 176.568 176.600 0.089 0.000 1.000 245 K CA 0.378 56.753 56.287 0.147 0.000 0.943 245 K CB 0.142 32.701 32.500 0.098 0.000 0.950 245 K HN 0.282 nan 8.250 nan 0.000 0.485 246 D N 0.896 121.328 120.400 0.054 0.000 2.812 246 D HA -0.181 4.460 4.640 0.001 0.000 0.237 246 D C 0.059 176.382 176.300 0.038 0.000 1.162 246 D CA 1.723 55.735 54.000 0.019 0.000 0.740 246 D CB -0.948 39.858 40.800 0.010 0.000 1.000 246 D HN 0.820 nan 8.370 nan 0.000 0.416 247 G N -0.381 108.461 108.800 0.070 0.000 2.761 247 G HA2 -0.094 3.866 3.960 0.001 0.000 0.230 247 G HA3 -0.094 3.866 3.960 0.001 0.000 0.230 247 G C 0.638 175.621 174.900 0.137 0.000 1.659 247 G CA -0.064 45.080 45.100 0.073 0.000 0.998 247 G HN 0.501 nan 8.290 nan 0.000 0.506 248 H N -0.115 118.954 119.070 -0.000 0.000 2.267 248 H HA -0.109 4.448 4.556 0.002 0.000 0.297 248 H C 2.307 177.641 175.328 0.009 0.000 1.080 248 H CA 1.820 57.871 56.048 0.005 0.000 1.278 248 H CB 0.410 30.167 29.762 -0.008 0.000 1.365 248 H HN 0.568 nan 8.280 nan 0.000 0.489 249 E N 0.595 120.877 120.200 0.136 0.000 2.077 249 E HA -0.157 4.193 4.350 0.001 0.000 0.193 249 E C 2.358 178.991 176.600 0.056 0.000 0.989 249 E CA 0.863 57.308 56.400 0.076 0.000 0.800 249 E CB -0.028 29.701 29.700 0.048 0.000 0.746 249 E HN 0.428 nan 8.360 nan 0.000 0.452 250 A N 1.025 123.867 122.820 0.037 0.000 1.969 250 A HA -0.047 4.273 4.320 0.001 0.000 0.218 250 A C 2.347 179.907 177.584 -0.040 0.000 1.169 250 A CA 1.604 53.643 52.037 0.004 0.000 0.635 250 A CB -0.630 18.369 19.000 -0.002 0.000 0.810 250 A HN 0.418 nan 8.150 nan 0.000 0.445 251 A N -0.455 122.335 122.820 -0.049 0.000 1.877 251 A HA -0.013 4.307 4.320 0.001 0.000 0.216 251 A C 2.131 179.629 177.584 -0.143 0.000 1.186 251 A CA 1.716 53.654 52.037 -0.164 0.000 0.620 251 A CB -0.597 18.357 19.000 -0.077 0.000 0.822 251 A HN 0.635 nan 8.150 nan 0.000 0.443 252 L N -0.976 120.283 121.223 0.060 0.000 2.056 252 L HA -0.046 4.295 4.340 0.001 0.000 0.207 252 L C 2.141 179.127 176.870 0.192 0.000 1.078 252 L CA 1.431 56.395 54.840 0.207 0.000 0.749 252 L CB -0.560 41.607 42.059 0.180 0.000 0.901 252 L HN 0.241 nan 8.230 nan 0.000 0.433 253 L N -0.278 121.014 121.223 0.114 0.000 2.012 253 L HA -0.194 4.147 4.340 0.001 0.000 0.210 253 L C 2.777 179.666 176.870 0.031 0.000 1.073 253 L CA 1.683 56.575 54.840 0.087 0.000 0.748 253 L CB -1.199 40.903 42.059 0.071 0.000 0.891 253 L HN 0.328 nan 8.230 nan 0.000 0.431 254 R N -1.410 119.073 120.500 -0.027 0.000 2.096 254 R HA -0.193 4.148 4.340 0.001 0.000 0.235 254 R C 2.187 178.475 176.300 -0.020 0.000 1.127 254 R CA 1.430 57.488 56.100 -0.070 0.000 0.968 254 R CB -0.711 29.497 30.300 -0.154 0.000 0.861 254 R HN 0.298 nan 8.270 nan 0.000 0.440 255 Y N 0.008 120.350 120.300 0.070 0.000 2.242 255 Y HA -0.043 4.508 4.550 0.002 0.000 0.291 255 Y C 2.112 178.007 175.900 -0.008 0.000 1.137 255 Y CA 0.998 59.143 58.100 0.075 0.000 1.181 255 Y CB -0.405 38.115 38.460 0.101 0.000 0.989 255 Y HN -0.006 nan 8.280 nan 0.000 0.527 256 I N -0.080 120.585 120.570 0.158 0.000 2.163 256 I HA -0.334 3.837 4.170 0.001 0.000 0.243 256 I C 1.867 177.835 176.117 -0.248 0.000 1.085 256 I CA 1.679 62.823 61.300 -0.260 0.000 1.347 256 I CB -0.387 37.462 38.000 -0.251 0.000 1.044 256 I HN 0.097 nan 8.210 nan 0.000 0.408 257 D N 0.681 121.016 120.400 -0.109 0.000 2.228 257 D HA -0.170 4.471 4.640 0.001 0.000 0.203 257 D C 2.047 178.307 176.300 -0.067 0.000 0.988 257 D CA 1.158 55.110 54.000 -0.081 0.000 0.864 257 D CB -0.212 40.567 40.800 -0.035 0.000 0.928 257 D HN 0.332 nan 8.370 nan 0.000 0.469 258 R N -0.988 119.483 120.500 -0.047 0.000 2.317 258 R HA 0.182 4.523 4.340 0.001 0.000 0.208 258 R C 0.049 176.328 176.300 -0.035 0.000 0.914 258 R CA -0.100 56.018 56.100 0.030 0.000 1.060 258 R CB 0.347 30.770 30.300 0.204 0.000 1.015 258 R HN 0.033 nan 8.270 nan 0.000 0.498 259 C N 1.442 120.609 119.300 -0.222 0.000 2.409 259 C HA 0.395 4.856 4.460 0.001 0.000 0.297 259 C C -1.608 173.252 174.990 -0.217 0.000 1.083 259 C CA -2.753 56.122 59.018 -0.238 0.000 1.515 259 C CB 0.795 28.254 27.740 -0.468 0.000 1.869 259 C HN 0.204 nan 8.230 nan 0.000 0.413 260 P HA -0.237 nan 4.420 nan 0.000 0.216 260 P C 1.595 178.806 177.300 -0.149 0.000 1.167 260 P CA 1.829 64.868 63.100 -0.102 0.000 0.933 260 P CB 0.025 31.694 31.700 -0.052 0.000 0.793 261 I N -1.669 118.790 120.570 -0.185 0.000 2.264 261 I HA -0.221 3.949 4.170 0.001 0.000 0.248 261 I C 1.732 177.604 176.117 -0.408 0.000 1.111 261 I CA 1.581 62.714 61.300 -0.278 0.000 1.382 261 I CB -0.215 37.564 38.000 -0.368 0.000 1.060 261 I HN -0.179 nan 8.210 nan 0.000 0.418 262 I N 0.846 121.131 120.570 -0.475 0.000 2.286 262 I HA -0.247 3.924 4.170 0.001 0.000 0.245 262 I C 2.420 178.284 176.117 -0.423 0.000 1.104 262 I CA 1.330 62.274 61.300 -0.593 0.000 1.397 262 I CB -1.536 35.880 38.000 -0.974 0.000 1.072 262 I HN 0.310 nan 8.210 nan 0.000 0.417 263 K N 1.542 121.737 120.400 -0.342 0.000 2.044 263 K HA -0.253 4.068 4.320 0.001 0.000 0.210 263 K C 2.072 178.590 176.600 -0.136 0.000 1.049 263 K CA 2.221 58.374 56.287 -0.222 0.000 0.927 263 K CB -0.016 32.387 32.500 -0.163 0.000 0.713 263 K HN 0.530 nan 8.250 nan 0.000 0.443 264 E N -0.979 119.169 120.200 -0.087 0.000 2.072 264 E HA -0.210 4.141 4.350 0.001 0.000 0.190 264 E C 1.739 178.342 176.600 0.005 0.000 0.982 264 E CA 1.058 57.444 56.400 -0.023 0.000 0.803 264 E CB -0.499 29.209 29.700 0.012 0.000 0.755 264 E HN 0.320 nan 8.360 nan 0.000 0.453 265 Y N 0.745 120.889 120.300 -0.259 0.000 2.403 265 Y HA 0.031 4.582 4.550 0.001 0.000 0.291 265 Y C 1.844 177.668 175.900 -0.127 0.000 1.143 265 Y CA 0.788 58.731 58.100 -0.262 0.000 1.257 265 Y CB 0.103 38.195 38.460 -0.612 0.000 0.984 265 Y HN 0.091 nan 8.280 nan 0.000 0.550 266 L N -1.778 119.426 121.223 -0.031 0.000 2.616 266 L HA 0.192 4.533 4.340 0.001 0.000 0.229 266 L C 2.343 179.187 176.870 -0.045 0.000 1.110 266 L CA 0.398 55.193 54.840 -0.075 0.000 0.884 266 L CB -0.392 41.481 42.059 -0.309 0.000 1.115 266 L HN 0.070 nan 8.230 nan 0.000 0.481 267 A N 1.644 124.436 122.820 -0.047 0.000 1.892 267 A HA -0.153 4.168 4.320 0.001 0.000 0.218 267 A C -0.083 177.497 177.584 -0.006 0.000 1.188 267 A CA 1.798 53.818 52.037 -0.029 0.000 0.631 267 A CB -1.746 17.231 19.000 -0.038 0.000 0.822 267 A HN 0.319 nan 8.150 nan 0.000 0.447 268 P HA 0.235 nan 4.420 nan 0.000 0.237 268 P C 0.216 177.540 177.300 0.040 0.000 1.178 268 P CA 0.962 64.066 63.100 0.007 0.000 0.766 268 P CB -0.068 31.626 31.700 -0.011 0.000 0.876 269 A N -0.722 122.138 122.820 0.067 0.000 2.295 269 A HA 0.575 4.895 4.320 0.001 0.000 0.318 269 A C -0.038 177.648 177.584 0.170 0.000 1.134 269 A CA -0.215 51.901 52.037 0.132 0.000 0.827 269 A CB 0.534 19.645 19.000 0.184 0.000 1.136 269 A HN 0.045 nan 8.150 nan 0.000 0.493 270 T N 0.811 115.466 114.554 0.169 0.000 2.829 270 T HA 0.448 4.799 4.350 0.001 0.000 0.280 270 T C -0.034 174.739 174.700 0.121 0.000 0.999 270 T CA -0.631 61.551 62.100 0.137 0.000 0.983 270 T CB 0.465 69.374 68.868 0.068 0.000 0.968 270 T HN 0.683 nan 8.240 nan 0.000 0.446 271 R N 3.236 123.744 120.500 0.013 0.000 2.490 271 R HA 0.397 4.738 4.340 0.001 0.000 0.280 271 R C -0.338 175.866 176.300 -0.161 0.000 1.077 271 R CA -0.487 55.427 56.100 -0.309 0.000 1.065 271 R CB 0.586 30.596 30.300 -0.483 0.000 1.003 271 R HN 0.537 nan 8.270 nan 0.000 0.470 272 V N 3.693 123.515 119.914 -0.154 0.000 2.585 272 V HA -0.030 4.091 4.120 0.001 0.000 0.296 272 V C 1.409 177.471 176.094 -0.054 0.000 1.035 272 V CA 0.599 62.870 62.300 -0.048 0.000 1.084 272 V CB 1.170 33.008 31.823 0.026 0.000 0.953 272 V HN 1.033 nan 8.190 nan 0.000 0.483 273 T N -0.655 113.881 114.554 -0.030 0.000 2.985 273 T HA 0.167 4.517 4.350 0.001 0.000 0.254 273 T C 0.586 175.275 174.700 -0.019 0.000 1.021 273 T CA 0.442 62.525 62.100 -0.029 0.000 0.957 273 T CB 0.284 69.137 68.868 -0.024 0.000 1.047 273 T HN 0.775 nan 8.240 nan 0.000 0.511 274 T N -1.423 113.126 114.554 -0.008 0.000 2.916 274 T HA 0.699 5.049 4.350 0.001 0.000 0.292 274 T C 0.618 175.316 174.700 -0.004 0.000 1.064 274 T CA -0.139 61.956 62.100 -0.009 0.000 1.011 274 T CB 1.506 70.372 68.868 -0.004 0.000 1.152 274 T HN 1.134 nan 8.240 nan 0.000 0.510 275 G N 1.199 109.987 108.800 -0.020 0.000 2.693 275 G HA2 -0.201 3.760 3.960 0.001 0.000 0.226 275 G HA3 -0.201 3.760 3.960 0.001 0.000 0.226 275 G C 0.205 175.042 174.900 -0.105 0.000 1.354 275 G CA 0.299 45.377 45.100 -0.037 0.000 0.873 275 G HN 0.780 nan 8.290 nan 0.000 0.562 276 D N -0.818 119.457 120.400 -0.208 0.000 2.219 276 D HA -0.013 4.628 4.640 0.001 0.000 0.205 276 D C 1.815 177.766 176.300 -0.582 0.000 0.970 276 D CA 1.481 55.228 54.000 -0.421 0.000 0.851 276 D CB -0.013 40.449 40.800 -0.564 0.000 0.943 276 D HN 0.434 nan 8.370 nan 0.000 0.488 277 Y N -0.554 119.589 120.300 -0.262 0.000 2.468 277 Y HA 0.281 4.832 4.550 0.001 0.000 0.268 277 Y C 2.204 178.065 175.900 -0.065 0.000 1.177 277 Y CA -0.099 57.808 58.100 -0.322 0.000 1.265 277 Y CB 0.400 38.572 38.460 -0.480 0.000 1.103 277 Y HN -0.110 nan 8.280 nan 0.000 0.522 278 G N -0.777 108.033 108.800 0.016 0.000 3.042 278 G HA2 0.019 3.980 3.960 0.001 0.000 0.212 278 G HA3 0.019 3.980 3.960 0.001 0.000 0.212 278 G C 0.202 175.088 174.900 -0.024 0.000 1.166 278 G CA 0.037 45.136 45.100 -0.001 0.000 0.767 278 G HN 0.138 nan 8.290 nan 0.000 0.546 279 E N -0.077 120.103 120.200 -0.034 0.000 2.248 279 E HA 0.565 4.916 4.350 0.001 0.000 0.272 279 E C -0.352 176.221 176.600 -0.044 0.000 1.008 279 E CA -0.801 55.569 56.400 -0.050 0.000 0.856 279 E CB 1.767 31.416 29.700 -0.086 0.000 1.120 279 E HN 0.213 nan 8.360 nan 0.000 0.397 280 I N 1.606 122.150 120.570 -0.044 0.000 2.362 280 I HA 0.539 4.710 4.170 0.001 0.000 0.289 280 I C -0.747 175.309 176.117 -0.101 0.000 0.994 280 I CA -0.779 60.462 61.300 -0.099 0.000 1.158 280 I CB 0.713 38.686 38.000 -0.044 0.000 1.315 280 I HN 0.224 nan 8.210 nan 0.000 0.451 281 R N 6.617 126.863 120.500 -0.425 0.000 2.674 281 R HA 0.623 4.964 4.340 0.001 0.000 0.266 281 R C -0.878 175.283 176.300 -0.231 0.000 1.016 281 R CA -0.950 54.964 56.100 -0.310 0.000 1.062 281 R CB 2.001 32.058 30.300 -0.404 0.000 1.142 281 R HN 0.807 nan 8.270 nan 0.000 0.517 282 I N 0.789 121.378 120.570 0.033 0.000 2.569 282 I HA 0.384 4.555 4.170 0.001 0.000 0.296 282 I C -0.684 175.576 176.117 0.237 0.000 1.028 282 I CA -0.902 60.460 61.300 0.104 0.000 1.082 282 I CB 1.379 39.422 38.000 0.072 0.000 1.264 282 I HN 0.215 nan 8.210 nan 0.000 0.429 283 R N 6.245 126.936 120.500 0.318 0.000 2.561 283 R HA 0.522 4.863 4.340 0.001 0.000 0.297 283 R C -1.352 175.191 176.300 0.405 0.000 0.969 283 R CA -0.801 55.520 56.100 0.368 0.000 0.879 283 R CB 2.193 32.733 30.300 0.400 0.000 1.178 283 R HN 0.612 nan 8.270 nan 0.000 0.445 284 K N 0.939 121.538 120.400 0.332 0.000 2.482 284 K HA 0.229 4.550 4.320 0.001 0.000 0.257 284 K C -0.920 175.784 176.600 0.172 0.000 0.969 284 K CA -0.439 55.966 56.287 0.197 0.000 0.842 284 K CB 1.239 33.814 32.500 0.125 0.000 1.359 284 K HN 0.447 nan 8.250 nan 0.000 0.441 285 D N 2.446 122.853 120.400 0.012 0.000 2.701 285 D HA -0.202 4.439 4.640 0.001 0.000 0.235 285 D C 0.182 176.742 176.300 0.433 0.000 1.155 285 D CA 1.271 55.324 54.000 0.088 0.000 0.649 285 D CB -1.020 39.756 40.800 -0.041 0.000 1.050 285 D HN 0.594 nan 8.370 nan 0.000 0.425 286 Y N -1.721 118.860 120.300 0.468 0.000 2.500 286 Y HA 0.331 4.882 4.550 0.001 0.000 0.270 286 Y C 1.157 177.324 175.900 0.443 0.000 1.134 286 Y CA -0.350 58.053 58.100 0.504 0.000 1.293 286 Y CB 0.029 38.702 38.460 0.356 0.000 1.063 286 Y HN 0.005 nan 8.280 nan 0.000 0.534 287 S N 1.545 117.528 115.700 0.472 0.000 2.422 287 S HA 0.612 5.083 4.470 0.001 0.000 0.298 287 S C -1.251 173.602 174.600 0.421 0.000 1.118 287 S CA -0.448 57.980 58.200 0.379 0.000 1.083 287 S CB -0.416 62.995 63.200 0.353 0.000 0.971 287 S HN 0.425 nan 8.310 nan 0.000 0.478 288 Y N 0.476 121.064 120.300 0.480 0.000 2.741 288 Y HA 0.715 5.266 4.550 0.002 0.000 0.339 288 Y C -0.873 175.240 175.900 0.355 0.000 1.226 288 Y CA -1.586 56.717 58.100 0.339 0.000 1.072 288 Y CB 0.237 38.630 38.460 -0.111 0.000 1.331 288 Y HN 0.571 nan 8.280 nan 0.000 0.453 289 C N 1.994 121.582 119.300 0.480 0.000 2.888 289 C HA 0.573 5.034 4.460 0.001 0.000 0.308 289 C C -1.201 173.840 174.990 0.086 0.000 1.213 289 C CA -0.485 58.591 59.018 0.097 0.000 1.461 289 C CB 1.493 29.036 27.740 -0.328 0.000 1.934 289 C HN 0.939 nan 8.230 nan 0.000 0.474 290 N N 1.663 120.443 118.700 0.134 0.000 2.524 290 N HA 0.193 4.934 4.740 0.001 0.000 0.283 290 N C 1.119 176.546 175.510 -0.139 0.000 1.142 290 N CA 0.426 53.516 53.050 0.067 0.000 0.984 290 N CB 1.882 40.501 38.487 0.220 0.000 1.155 290 N HN 0.884 nan 8.380 nan 0.000 0.467 291 T N -2.130 112.344 114.554 -0.134 0.000 3.007 291 T HA -0.052 4.299 4.350 0.001 0.000 0.270 291 T C 0.877 175.413 174.700 -0.274 0.000 1.107 291 T CA 0.516 62.495 62.100 -0.201 0.000 1.118 291 T CB 0.161 68.952 68.868 -0.129 0.000 0.889 291 T HN 0.311 nan 8.240 nan 0.000 0.506 292 S N -0.965 114.595 115.700 -0.232 0.000 2.537 292 S HA 0.581 5.052 4.470 0.001 0.000 0.270 292 S C -1.055 173.561 174.600 0.027 0.000 1.142 292 S CA -0.847 57.214 58.200 -0.232 0.000 0.870 292 S CB 0.831 63.925 63.200 -0.177 0.000 1.112 292 S HN 0.061 nan 8.310 nan 0.000 0.466 293 F N 2.544 122.557 119.950 0.104 0.000 2.704 293 F HA 0.473 5.001 4.527 0.001 0.000 0.304 293 F C 0.536 176.689 175.800 0.587 0.000 1.094 293 F CA -0.781 57.389 58.000 0.285 0.000 1.275 293 F CB 0.368 39.470 39.000 0.170 0.000 1.073 293 F HN 0.615 nan 8.300 nan 0.000 0.586 294 W N 1.300 122.832 121.300 0.386 0.000 3.074 294 W HA 0.429 5.090 4.660 0.002 0.000 0.332 294 W C -0.478 176.134 176.519 0.155 0.000 1.253 294 W CA -1.075 56.456 57.345 0.311 0.000 1.180 294 W CB 1.058 30.769 29.460 0.418 0.000 1.445 294 W HN -0.021 nan 8.180 nan 0.000 0.573 295 K N 0.863 121.275 120.400 0.020 0.000 2.572 295 K HA 0.410 4.731 4.320 0.001 0.000 0.234 295 K C -0.304 176.193 176.600 -0.173 0.000 1.374 295 K CA -0.232 55.877 56.287 -0.298 0.000 0.771 295 K CB 0.152 32.594 32.500 -0.096 0.000 1.738 295 K HN 0.165 nan 8.250 nan 0.000 0.388 296 N N -0.341 118.419 118.700 0.101 0.000 2.655 296 N HA 0.259 5.000 4.740 0.001 0.000 0.277 296 N C -0.702 174.880 175.510 0.119 0.000 1.177 296 N CA 0.459 53.600 53.050 0.152 0.000 0.882 296 N CB 1.802 40.347 38.487 0.097 0.000 1.481 296 N HN 0.764 nan 8.380 nan 0.000 0.547 297 G N 1.524 110.365 108.800 0.069 0.000 2.179 297 G HA2 -0.281 3.680 3.960 0.001 0.000 0.260 297 G HA3 -0.281 3.680 3.960 0.001 0.000 0.260 297 G C 0.086 175.041 174.900 0.092 0.000 0.977 297 G CA 0.672 45.784 45.100 0.019 0.000 0.641 297 G HN 0.504 nan 8.290 nan 0.000 0.533 298 M N 0.239 119.917 119.600 0.131 0.000 2.518 298 M HA 0.726 5.207 4.480 0.001 0.000 0.300 298 M C -0.692 175.766 176.300 0.262 0.000 1.175 298 M CA -0.053 55.350 55.300 0.173 0.000 0.890 298 M CB 2.047 34.754 32.600 0.179 0.000 1.710 298 M HN 0.906 nan 8.290 nan 0.000 0.453 299 A N 3.653 126.643 122.820 0.282 0.000 2.556 299 A HA 0.866 5.187 4.320 0.001 0.000 0.294 299 A C -2.066 175.712 177.584 0.324 0.000 1.091 299 A CA -0.757 51.524 52.037 0.407 0.000 0.704 299 A CB 1.659 20.888 19.000 0.382 0.000 1.300 299 A HN 0.826 nan 8.150 nan 0.000 0.406 300 L N 1.187 122.664 121.223 0.424 0.000 2.341 300 L HA 0.767 5.108 4.340 0.001 0.000 0.278 300 L C -0.330 176.723 176.870 0.306 0.000 1.005 300 L CA -1.078 53.945 54.840 0.304 0.000 0.818 300 L CB 1.717 43.950 42.059 0.290 0.000 1.259 300 L HN 0.686 nan 8.230 nan 0.000 0.418 301 V N -0.537 119.481 119.914 0.174 0.000 2.914 301 V HA 1.035 5.156 4.120 0.001 0.000 0.314 301 V C 0.443 176.605 176.094 0.114 0.000 1.084 301 V CA 0.181 62.547 62.300 0.110 0.000 0.963 301 V CB 1.113 32.915 31.823 -0.035 0.000 1.025 301 V HN 1.018 nan 8.190 nan 0.000 0.432 302 G N 2.683 111.557 108.800 0.123 0.000 2.547 302 G HA2 -0.270 3.691 3.960 0.001 0.000 0.271 302 G HA3 -0.270 3.691 3.960 0.001 0.000 0.271 302 G C 0.206 175.226 174.900 0.201 0.000 1.209 302 G CA 0.812 46.001 45.100 0.148 0.000 0.959 302 G HN 0.987 nan 8.290 nan 0.000 0.563 303 D N 0.818 121.318 120.400 0.167 0.000 2.264 303 D HA 0.206 4.847 4.640 0.001 0.000 0.208 303 D C 2.661 179.146 176.300 0.309 0.000 0.966 303 D CA 1.891 56.022 54.000 0.217 0.000 0.864 303 D CB -0.599 40.270 40.800 0.115 0.000 0.933 303 D HN 0.835 nan 8.370 nan 0.000 0.499 304 A N 0.607 123.553 122.820 0.209 0.000 1.933 304 A HA -0.038 4.282 4.320 0.001 0.000 0.218 304 A C 2.223 179.927 177.584 0.201 0.000 1.175 304 A CA 2.023 54.169 52.037 0.181 0.000 0.628 304 A CB -0.459 18.624 19.000 0.137 0.000 0.814 304 A HN 0.254 nan 8.150 nan 0.000 0.444 305 A N -1.455 121.468 122.820 0.172 0.000 1.861 305 A HA 0.322 4.643 4.320 0.001 0.000 0.212 305 A C 1.207 178.848 177.584 0.095 0.000 1.199 305 A CA 1.423 53.483 52.037 0.038 0.000 0.613 305 A CB -0.877 17.919 19.000 -0.340 0.000 0.846 305 A HN 1.460 nan 8.150 nan 0.000 0.446 306 C N -4.945 114.395 119.300 0.067 0.000 3.303 306 C HA 0.772 5.233 4.460 0.001 0.000 0.340 306 C C -1.302 173.720 174.990 0.053 0.000 1.274 306 C CA -1.291 57.709 59.018 -0.029 0.000 1.234 306 C CB 0.541 27.927 27.740 -0.590 0.000 1.532 306 C HN 0.786 nan 8.230 nan 0.000 0.483 307 F N 0.877 120.684 119.950 -0.239 0.000 2.650 307 F HA 0.647 5.174 4.527 0.002 0.000 0.310 307 F C -0.018 175.853 175.800 0.118 0.000 1.112 307 F CA -0.606 57.342 58.000 -0.087 0.000 0.986 307 F CB 1.485 40.334 39.000 -0.252 0.000 1.285 307 F HN 0.598 nan 8.300 nan 0.000 0.440 308 V N 1.599 121.039 119.914 -0.790 0.000 2.523 308 V HA 0.268 4.389 4.120 0.001 0.000 0.226 308 V C -0.451 175.072 176.094 -0.951 0.000 1.107 308 V CA 1.103 62.978 62.300 -0.707 0.000 1.121 308 V CB -0.114 31.337 31.823 -0.620 0.000 0.753 308 V HN 0.794 nan 8.190 nan 0.000 0.497 309 D N -2.404 117.357 120.400 -1.064 0.000 2.720 309 D HA 0.280 4.921 4.640 0.001 0.000 0.239 309 D C -2.649 173.584 176.300 -0.112 0.000 1.218 309 D CA -0.757 53.049 54.000 -0.324 0.000 0.748 309 D CB 1.870 42.537 40.800 -0.222 0.000 1.387 309 D HN -0.032 nan 8.370 nan 0.000 0.438 310 P HA 0.038 nan 4.420 nan 0.000 0.230 310 P C 0.326 177.848 177.300 0.371 0.000 1.158 310 P CA 0.117 63.372 63.100 0.259 0.000 0.769 310 P CB 0.176 31.967 31.700 0.151 0.000 0.807 311 V N 0.122 120.308 119.914 0.453 0.000 2.637 311 V HA 0.103 4.224 4.120 0.001 0.000 0.296 311 V C 0.564 176.745 176.094 0.145 0.000 1.046 311 V CA 0.198 62.555 62.300 0.096 0.000 1.066 311 V CB -1.084 30.554 31.823 -0.308 0.000 0.968 311 V HN 0.242 nan 8.190 nan 0.000 0.483 312 F N 2.684 122.677 119.950 0.072 0.000 2.871 312 F HA -0.257 4.270 4.527 0.002 0.000 0.326 312 F C 1.231 177.101 175.800 0.116 0.000 0.675 312 F CA 0.720 58.785 58.000 0.108 0.000 1.188 312 F CB -1.914 37.134 39.000 0.079 0.000 1.567 312 F HN 0.744 nan 8.300 nan 0.000 0.325 313 S N -0.566 115.237 115.700 0.171 0.000 3.608 313 S HA -0.220 4.251 4.470 0.001 0.000 0.382 313 S C 0.976 175.584 174.600 0.015 0.000 0.945 313 S CA 0.726 58.973 58.200 0.078 0.000 1.256 313 S CB -1.212 62.043 63.200 0.092 0.000 0.913 313 S HN 0.915 nan 8.310 nan 0.000 0.518 314 S N -0.678 114.950 115.700 -0.120 0.000 2.540 314 S HA 0.311 4.782 4.470 0.001 0.000 0.218 314 S C 1.927 176.454 174.600 -0.121 0.000 0.977 314 S CA 0.426 58.410 58.200 -0.360 0.000 0.918 314 S CB 0.317 62.760 63.200 -1.261 0.000 0.806 314 S HN 0.802 nan 8.310 nan 0.000 0.496 315 G N 2.274 111.115 108.800 0.068 0.000 2.433 315 G HA2 -0.139 3.822 3.960 0.001 0.000 0.216 315 G HA3 -0.139 3.822 3.960 0.001 0.000 0.216 315 G C 1.322 176.294 174.900 0.120 0.000 1.186 315 G CA 1.206 46.447 45.100 0.234 0.000 0.779 315 G HN 0.442 nan 8.290 nan 0.000 0.543 316 V N 0.773 120.729 119.914 0.070 0.000 2.515 316 V HA -0.151 3.970 4.120 0.001 0.000 0.250 316 V C 2.401 178.562 176.094 0.112 0.000 1.058 316 V CA 2.221 64.567 62.300 0.075 0.000 1.064 316 V CB -0.571 31.280 31.823 0.047 0.000 0.675 316 V HN 0.652 nan 8.190 nan 0.000 0.461 317 H N 0.296 119.377 119.070 0.018 0.000 2.321 317 H HA -0.135 4.422 4.556 0.002 0.000 0.300 317 H C 2.026 177.413 175.328 0.098 0.000 1.087 317 H CA 1.991 58.060 56.048 0.035 0.000 1.319 317 H CB -0.295 29.452 29.762 -0.025 0.000 1.379 317 H HN 0.326 nan 8.280 nan 0.000 0.501 318 L N -0.206 120.947 121.223 -0.116 0.000 2.046 318 L HA -0.145 4.196 4.340 0.001 0.000 0.208 318 L C 2.884 179.747 176.870 -0.011 0.000 1.077 318 L CA 1.066 55.888 54.840 -0.031 0.000 0.747 318 L CB -0.764 41.404 42.059 0.181 0.000 0.896 318 L HN 0.493 nan 8.230 nan 0.000 0.432 319 A N 0.148 122.989 122.820 0.034 0.000 1.908 319 A HA -0.241 4.080 4.320 0.001 0.000 0.218 319 A C 2.415 179.976 177.584 -0.038 0.000 1.181 319 A CA 2.485 54.527 52.037 0.008 0.000 0.627 319 A CB -0.984 18.045 19.000 0.048 0.000 0.818 319 A HN 0.541 nan 8.150 nan 0.000 0.445 320 T N -4.312 110.247 114.554 0.008 0.000 2.942 320 T HA -0.121 4.230 4.350 0.001 0.000 0.265 320 T C 1.854 176.596 174.700 0.070 0.000 1.062 320 T CA 1.369 63.495 62.100 0.044 0.000 1.139 320 T CB -0.464 68.469 68.868 0.108 0.000 0.883 320 T HN 0.406 nan 8.240 nan 0.000 0.468 321 Y N 3.323 123.533 120.300 -0.150 0.000 2.200 321 Y HA -0.045 4.506 4.550 0.002 0.000 0.290 321 Y C 2.771 178.558 175.900 -0.189 0.000 1.137 321 Y CA 1.187 59.191 58.100 -0.160 0.000 1.163 321 Y CB -0.686 37.596 38.460 -0.297 0.000 0.988 321 Y HN 0.402 nan 8.280 nan 0.000 0.518 322 S N 0.333 115.770 115.700 -0.439 0.000 2.399 322 S HA -0.163 4.308 4.470 0.001 0.000 0.231 322 S C 2.274 176.651 174.600 -0.372 0.000 1.022 322 S CA 0.925 58.735 58.200 -0.651 0.000 0.983 322 S CB -1.122 61.301 63.200 -1.294 0.000 0.803 322 S HN 0.504 nan 8.310 nan 0.000 0.480 323 A N 2.323 125.003 122.820 -0.233 0.000 1.865 323 A HA 0.003 4.323 4.320 0.001 0.000 0.217 323 A C 2.259 179.792 177.584 -0.086 0.000 1.191 323 A CA 1.724 53.677 52.037 -0.141 0.000 0.623 323 A CB -1.114 17.846 19.000 -0.067 0.000 0.826 323 A HN 0.554 nan 8.150 nan 0.000 0.444 324 L N -0.203 121.020 121.223 -0.001 0.000 2.043 324 L HA -0.173 4.167 4.340 0.001 0.000 0.212 324 L C 2.314 178.998 176.870 -0.310 0.000 1.075 324 L CA 1.851 56.637 54.840 -0.089 0.000 0.752 324 L CB -0.414 41.601 42.059 -0.072 0.000 0.891 324 L HN 0.432 nan 8.230 nan 0.000 0.432 325 L N -2.036 118.985 121.223 -0.335 0.000 2.093 325 L HA -0.175 4.165 4.340 0.001 0.000 0.208 325 L C 2.386 179.030 176.870 -0.377 0.000 1.085 325 L CA 0.852 55.537 54.840 -0.258 0.000 0.755 325 L CB -0.571 41.424 42.059 -0.106 0.000 0.904 325 L HN 0.116 nan 8.230 nan 0.000 0.435 326 V N -0.067 119.499 119.914 -0.580 0.000 2.379 326 V HA -0.207 3.914 4.120 0.001 0.000 0.245 326 V C 2.747 178.512 176.094 -0.548 0.000 1.044 326 V CA 1.575 63.404 62.300 -0.784 0.000 1.036 326 V CB -0.647 30.716 31.823 -0.766 0.000 0.664 326 V HN 0.446 nan 8.190 nan 0.000 0.453 327 A N 0.117 122.717 122.820 -0.367 0.000 1.917 327 A HA -0.274 4.046 4.320 0.001 0.000 0.219 327 A C 2.359 179.718 177.584 -0.375 0.000 1.182 327 A CA 2.083 53.956 52.037 -0.272 0.000 0.633 327 A CB -0.522 18.429 19.000 -0.081 0.000 0.819 327 A HN 0.514 nan 8.150 nan 0.000 0.448 328 R N -0.767 119.435 120.500 -0.496 0.000 2.092 328 R HA -0.044 4.297 4.340 0.001 0.000 0.231 328 R C 2.498 178.521 176.300 -0.462 0.000 1.119 328 R CA 1.104 56.811 56.100 -0.654 0.000 0.970 328 R CB -0.430 29.127 30.300 -1.239 0.000 0.864 328 R HN 0.534 nan 8.270 nan 0.000 0.440 329 A N 1.239 123.797 122.820 -0.437 0.000 1.877 329 A HA -0.136 4.185 4.320 0.001 0.000 0.216 329 A C 2.134 179.386 177.584 -0.552 0.000 1.186 329 A CA 1.195 52.900 52.037 -0.553 0.000 0.620 329 A CB -0.439 17.744 19.000 -1.361 0.000 0.822 329 A HN 0.164 nan 8.150 nan 0.000 0.443 330 I N 0.019 120.207 120.570 -0.638 0.000 2.202 330 I HA -0.239 3.932 4.170 0.001 0.000 0.242 330 I C 1.965 177.860 176.117 -0.370 0.000 1.091 330 I CA 1.181 62.092 61.300 -0.648 0.000 1.368 330 I CB -0.451 37.173 38.000 -0.627 0.000 1.058 330 I HN 0.281 nan 8.210 nan 0.000 0.410 331 N N 0.276 118.813 118.700 -0.271 0.000 2.309 331 N HA -0.112 4.628 4.740 0.001 0.000 0.182 331 N C 1.772 177.249 175.510 -0.056 0.000 1.018 331 N CA 1.488 54.469 53.050 -0.115 0.000 0.876 331 N CB -0.403 38.039 38.487 -0.076 0.000 0.972 331 N HN 0.328 nan 8.380 nan 0.000 0.434 332 T N -0.459 114.043 114.554 -0.087 0.000 2.978 332 T HA 0.014 4.365 4.350 0.001 0.000 0.262 332 T C 2.121 176.845 174.700 0.042 0.000 1.063 332 T CA 0.460 62.563 62.100 0.004 0.000 1.140 332 T CB -0.132 68.781 68.868 0.075 0.000 0.886 332 T HN 0.299 nan 8.240 nan 0.000 0.470 333 C N 0.986 120.306 119.300 0.034 0.000 2.475 333 C HA 0.262 4.723 4.460 0.001 0.000 0.279 333 C C 2.499 177.582 174.990 0.155 0.000 1.322 333 C CA 0.026 59.127 59.018 0.140 0.000 1.734 333 C CB -1.142 26.769 27.740 0.284 0.000 2.005 333 C HN 0.499 nan 8.230 nan 0.000 0.495 334 L N 0.843 122.121 121.223 0.092 0.000 2.551 334 L HA -0.021 4.320 4.340 0.001 0.000 0.228 334 L C 2.220 179.159 176.870 0.116 0.000 1.153 334 L CA 0.892 55.768 54.840 0.060 0.000 0.851 334 L CB -0.387 41.521 42.059 -0.252 0.000 0.959 334 L HN 0.322 nan 8.230 nan 0.000 0.451 335 A N -0.782 122.103 122.820 0.110 0.000 2.387 335 A HA 0.425 4.746 4.320 0.001 0.000 0.234 335 A C 1.672 179.306 177.584 0.084 0.000 1.253 335 A CA 0.465 52.568 52.037 0.110 0.000 0.894 335 A CB -0.085 18.973 19.000 0.097 0.000 0.963 335 A HN 0.417 nan 8.150 nan 0.000 0.508 336 G N 0.421 109.273 108.800 0.087 0.000 2.166 336 G HA2 -0.303 3.658 3.960 0.001 0.000 0.260 336 G HA3 -0.303 3.658 3.960 0.001 0.000 0.260 336 G C -0.070 174.870 174.900 0.068 0.000 0.986 336 G CA 0.651 45.796 45.100 0.076 0.000 0.683 336 G HN 0.876 nan 8.290 nan 0.000 0.527 337 E N -0.041 120.200 120.200 0.070 0.000 2.248 337 E HA 0.768 5.119 4.350 0.001 0.000 0.272 337 E C 1.339 177.980 176.600 0.068 0.000 1.008 337 E CA -0.618 55.819 56.400 0.062 0.000 0.856 337 E CB 0.966 30.702 29.700 0.059 0.000 1.120 337 E HN 0.438 nan 8.360 nan 0.000 0.397 338 M N 0.096 119.730 119.600 0.056 0.000 7.319 338 M HA -0.276 4.205 4.480 0.001 0.000 0.114 338 M C -0.164 176.173 176.300 0.062 0.000 0.480 338 M CA 1.425 56.754 55.300 0.048 0.000 1.311 338 M CB -2.125 30.498 32.600 0.039 0.000 0.421 338 M HN 0.897 nan 8.290 nan 0.000 0.204 339 S N -1.214 114.526 115.700 0.066 0.000 2.588 339 S HA 0.518 4.989 4.470 0.001 0.000 0.275 339 S C 0.099 174.775 174.600 0.127 0.000 1.130 339 S CA -0.531 57.726 58.200 0.095 0.000 0.855 339 S CB 2.637 65.888 63.200 0.086 0.000 1.116 339 S HN 0.669 nan 8.310 nan 0.000 0.472 340 E N 0.610 120.920 120.200 0.183 0.000 2.085 340 E HA -0.259 4.092 4.350 0.001 0.000 0.194 340 E C 1.859 178.547 176.600 0.148 0.000 0.994 340 E CA 1.616 58.175 56.400 0.265 0.000 0.801 340 E CB -0.152 29.708 29.700 0.267 0.000 0.743 340 E HN 0.766 nan 8.360 nan 0.000 0.453 341 Q N 0.854 120.739 119.800 0.142 0.000 2.050 341 Q HA -0.217 4.124 4.340 0.001 0.000 0.202 341 Q C 2.257 178.283 176.000 0.043 0.000 0.980 341 Q CA 1.614 57.508 55.803 0.153 0.000 0.840 341 Q CB -0.020 28.873 28.738 0.258 0.000 0.898 341 Q HN 0.058 nan 8.270 nan 0.000 0.424 342 R N -0.768 119.751 120.500 0.031 0.000 2.081 342 R HA -0.151 4.189 4.340 0.001 0.000 0.235 342 R C 2.166 178.392 176.300 -0.123 0.000 1.131 342 R CA 1.829 57.909 56.100 -0.033 0.000 0.960 342 R CB -0.450 29.829 30.300 -0.036 0.000 0.856 342 R HN 0.390 nan 8.270 nan 0.000 0.436 343 C N -0.423 118.808 119.300 -0.114 0.000 2.457 343 C HA 0.056 4.517 4.460 0.001 0.000 0.278 343 C C 2.210 177.007 174.990 -0.321 0.000 1.309 343 C CA 0.268 59.160 59.018 -0.211 0.000 1.735 343 C CB -0.856 26.798 27.740 -0.143 0.000 1.992 343 C HN 0.479 nan 8.230 nan 0.000 0.493 344 F N 0.949 120.647 119.950 -0.421 0.000 2.416 344 F HA -0.001 4.527 4.527 0.002 0.000 0.296 344 F C 2.366 177.829 175.800 -0.563 0.000 1.099 344 F CA 0.959 58.562 58.000 -0.662 0.000 1.427 344 F CB -0.452 37.644 39.000 -1.507 0.000 1.079 344 F HN 0.285 nan 8.300 nan 0.000 0.536 345 E N 0.073 120.154 120.200 -0.198 0.000 2.106 345 E HA -0.236 4.115 4.350 0.001 0.000 0.192 345 E C 1.928 178.526 176.600 -0.004 0.000 0.984 345 E CA 1.198 57.637 56.400 0.065 0.000 0.806 345 E CB -0.060 29.714 29.700 0.124 0.000 0.750 345 E HN 0.265 nan 8.360 nan 0.000 0.458 346 E N 0.562 120.703 120.200 -0.099 0.000 2.072 346 E HA -0.188 4.162 4.350 0.001 0.000 0.191 346 E C 1.671 178.260 176.600 -0.019 0.000 0.985 346 E CA 0.848 57.154 56.400 -0.158 0.000 0.801 346 E CB -0.307 29.128 29.700 -0.442 0.000 0.750 346 E HN 0.233 nan 8.360 nan 0.000 0.452 347 F N 1.707 121.597 119.950 -0.101 0.000 2.043 347 F HA -0.208 4.319 4.527 0.001 0.000 0.297 347 F C 2.134 178.034 175.800 0.167 0.000 1.121 347 F CA 2.391 60.385 58.000 -0.010 0.000 1.199 347 F CB -0.907 38.019 39.000 -0.122 0.000 0.968 347 F HN 0.150 nan 8.300 nan 0.000 0.478 348 E N 0.055 120.007 120.200 -0.413 0.000 2.077 348 E HA -0.260 4.091 4.350 0.001 0.000 0.193 348 E C 2.583 179.158 176.600 -0.040 0.000 0.989 348 E CA 1.286 57.523 56.400 -0.270 0.000 0.800 348 E CB -0.330 29.359 29.700 -0.019 0.000 0.746 348 E HN 0.470 nan 8.360 nan 0.000 0.452 349 R N 0.134 120.628 120.500 -0.009 0.000 2.080 349 R HA -0.174 4.167 4.340 0.001 0.000 0.236 349 R C 2.375 178.729 176.300 0.090 0.000 1.137 349 R CA 1.749 57.861 56.100 0.021 0.000 0.943 349 R CB -0.072 30.233 30.300 0.008 0.000 0.846 349 R HN -0.015 nan 8.270 nan 0.000 0.431 350 R N -0.623 119.946 120.500 0.115 0.000 2.081 350 R HA -0.164 4.177 4.340 0.001 0.000 0.235 350 R C 2.162 178.670 176.300 0.346 0.000 1.131 350 R CA 1.624 57.854 56.100 0.218 0.000 0.960 350 R CB -0.822 29.599 30.300 0.200 0.000 0.856 350 R HN 0.330 nan 8.270 nan 0.000 0.436 351 Y N 1.112 121.469 120.300 0.094 0.000 2.145 351 Y HA -0.125 4.425 4.550 0.001 0.000 0.286 351 Y C 1.834 177.896 175.900 0.269 0.000 1.145 351 Y CA 1.524 59.705 58.100 0.136 0.000 1.148 351 Y CB -0.262 38.152 38.460 -0.076 0.000 0.981 351 Y HN -0.027 nan 8.280 nan 0.000 0.507 352 R N -0.277 120.409 120.500 0.310 0.000 2.120 352 R HA -0.150 4.191 4.340 0.001 0.000 0.234 352 R C 2.383 178.842 176.300 0.266 0.000 1.123 352 R CA 1.375 57.611 56.100 0.226 0.000 0.975 352 R CB -0.186 30.145 30.300 0.052 0.000 0.866 352 R HN 0.325 nan 8.270 nan 0.000 0.446 353 R N 0.166 120.815 120.500 0.247 0.000 2.073 353 R HA -0.160 4.181 4.340 0.001 0.000 0.234 353 R C 2.199 178.656 176.300 0.262 0.000 1.134 353 R CA 1.561 57.793 56.100 0.219 0.000 0.952 353 R CB -0.137 30.277 30.300 0.190 0.000 0.850 353 R HN 0.104 nan 8.270 nan 0.000 0.433 354 E N -0.008 120.416 120.200 0.374 0.000 2.072 354 E HA -0.196 4.155 4.350 0.001 0.000 0.190 354 E C 1.694 178.582 176.600 0.480 0.000 0.982 354 E CA 1.074 57.717 56.400 0.406 0.000 0.803 354 E CB -0.265 29.724 29.700 0.481 0.000 0.755 354 E HN 0.362 nan 8.360 nan 0.000 0.453 355 Y N 0.110 120.610 120.300 0.333 0.000 2.128 355 Y HA -0.106 4.445 4.550 0.002 0.000 0.284 355 Y C 2.075 178.124 175.900 0.248 0.000 1.154 355 Y CA 2.276 60.526 58.100 0.250 0.000 1.149 355 Y CB -0.767 37.741 38.460 0.080 0.000 0.976 355 Y HN 0.096 nan 8.280 nan 0.000 0.505 356 G N 0.315 109.203 108.800 0.148 0.000 2.418 356 G HA2 -0.321 3.640 3.960 0.001 0.000 0.217 356 G HA3 -0.321 3.640 3.960 0.001 0.000 0.217 356 G C 1.498 176.436 174.900 0.063 0.000 1.158 356 G CA 1.051 46.165 45.100 0.023 0.000 0.771 356 G HN 0.394 nan 8.290 nan 0.000 0.545 357 N N 0.425 119.182 118.700 0.095 0.000 2.069 357 N HA -0.079 4.662 4.740 0.001 0.000 0.191 357 N C 1.850 177.327 175.510 -0.055 0.000 1.031 357 N CA 0.913 53.962 53.050 -0.002 0.000 0.852 357 N CB -0.511 37.927 38.487 -0.081 0.000 1.018 357 N HN 0.353 nan 8.380 nan 0.000 0.423 358 F N -0.306 119.648 119.950 0.007 0.000 2.146 358 F HA -0.090 4.438 4.527 0.002 0.000 0.298 358 F C 2.278 178.068 175.800 -0.017 0.000 1.096 358 F CA 0.751 58.753 58.000 0.002 0.000 1.275 358 F CB -0.700 38.287 39.000 -0.022 0.000 1.008 358 F HN 0.056 nan 8.300 nan 0.000 0.480 359 Y N 0.921 121.181 120.300 -0.067 0.000 2.097 359 Y HA -0.322 4.229 4.550 0.001 0.000 0.282 359 Y C 2.651 178.558 175.900 0.012 0.000 1.152 359 Y CA 1.858 59.883 58.100 -0.125 0.000 1.136 359 Y CB -0.356 37.895 38.460 -0.349 0.000 0.975 359 Y HN -0.030 nan 8.280 nan 0.000 0.498 360 Q N -0.784 119.134 119.800 0.196 0.000 2.061 360 Q HA -0.231 4.109 4.340 0.001 0.000 0.204 360 Q C 2.266 178.326 176.000 0.100 0.000 0.984 360 Q CA 1.939 57.824 55.803 0.137 0.000 0.846 360 Q CB -0.912 27.910 28.738 0.141 0.000 0.902 360 Q HN 0.603 nan 8.270 nan 0.000 0.421 361 F N 1.004 120.928 119.950 -0.043 0.000 2.186 361 F HA -0.108 4.420 4.527 0.002 0.000 0.299 361 F C 1.948 177.777 175.800 0.048 0.000 1.090 361 F CA 0.870 58.825 58.000 -0.074 0.000 1.307 361 F CB -0.144 38.708 39.000 -0.248 0.000 1.019 361 F HN -0.041 nan 8.300 nan 0.000 0.489 362 L N -0.919 120.317 121.223 0.022 0.000 2.109 362 L HA -0.158 4.183 4.340 0.001 0.000 0.207 362 L C 2.374 179.425 176.870 0.302 0.000 1.086 362 L CA 0.744 55.698 54.840 0.190 0.000 0.760 362 L CB -0.879 41.364 42.059 0.306 0.000 0.910 362 L HN 0.011 nan 8.230 nan 0.000 0.437 363 V N 0.565 120.460 119.914 -0.031 0.000 2.255 363 V HA -0.326 3.795 4.120 0.001 0.000 0.247 363 V C 2.818 178.838 176.094 -0.124 0.000 1.051 363 V CA 2.032 64.040 62.300 -0.487 0.000 1.018 363 V CB -0.910 30.446 31.823 -0.778 0.000 0.641 363 V HN 0.493 nan 8.190 nan 0.000 0.445 364 A N -0.976 121.792 122.820 -0.088 0.000 1.933 364 A HA -0.231 4.090 4.320 0.001 0.000 0.218 364 A C 2.101 179.690 177.584 0.008 0.000 1.175 364 A CA 1.967 53.981 52.037 -0.039 0.000 0.628 364 A CB -0.683 18.287 19.000 -0.050 0.000 0.814 364 A HN 0.513 nan 8.150 nan 0.000 0.444 365 F N -1.024 118.785 119.950 -0.236 0.000 2.146 365 F HA -0.104 4.424 4.527 0.001 0.000 0.298 365 F C 2.086 178.072 175.800 0.309 0.000 1.096 365 F CA 1.424 59.313 58.000 -0.185 0.000 1.275 365 F CB -0.447 38.253 39.000 -0.500 0.000 1.008 365 F HN 0.303 nan 8.300 nan 0.000 0.480 366 Y N 0.484 121.051 120.300 0.445 0.000 2.165 366 Y HA -0.292 4.259 4.550 0.001 0.000 0.286 366 Y C 2.661 178.830 175.900 0.447 0.000 1.155 366 Y CA 2.149 60.651 58.100 0.670 0.000 1.164 366 Y CB -0.837 38.047 38.460 0.706 0.000 0.978 366 Y HN 0.167 nan 8.280 nan 0.000 0.513 367 D N 0.486 121.146 120.400 0.434 0.000 2.182 367 D HA -0.214 4.427 4.640 0.001 0.000 0.201 367 D C 1.988 178.356 176.300 0.113 0.000 0.986 367 D CA 1.748 55.895 54.000 0.244 0.000 0.847 367 D CB -0.014 40.876 40.800 0.149 0.000 0.942 367 D HN 0.526 nan 8.370 nan 0.000 0.467 368 M N -0.004 119.626 119.600 0.049 0.000 2.492 368 M HA 0.024 4.505 4.480 0.001 0.000 0.262 368 M C 0.466 176.696 176.300 -0.116 0.000 1.090 368 M CA 0.417 55.691 55.300 -0.043 0.000 1.110 368 M CB -0.348 32.197 32.600 -0.091 0.000 1.407 368 M HN -0.289 nan 8.290 nan 0.000 0.470 369 N N 2.777 121.339 118.700 -0.230 0.000 2.452 369 N HA -0.016 4.725 4.740 0.001 0.000 0.266 369 N C -0.983 174.277 175.510 -0.417 0.000 1.209 369 N CA 0.165 52.847 53.050 -0.614 0.000 0.929 369 N CB 0.510 38.014 38.487 -1.638 0.000 1.063 369 N HN 0.479 nan 8.380 nan 0.000 0.472 370 Q N 2.971 122.568 119.800 -0.338 0.000 2.322 370 Q HA 0.178 4.519 4.340 0.001 0.000 0.256 370 Q C -1.493 174.358 176.000 -0.247 0.000 0.960 370 Q CA -0.263 55.416 55.803 -0.206 0.000 0.934 370 Q CB 0.542 29.204 28.738 -0.127 0.000 1.200 370 Q HN 0.543 nan 8.270 nan 0.000 0.435 371 D N 3.133 123.436 120.400 -0.161 0.000 2.445 371 D HA 0.033 4.674 4.640 0.001 0.000 0.236 371 D C 0.603 176.918 176.300 0.024 0.000 1.315 371 D CA -0.059 53.884 54.000 -0.095 0.000 0.924 371 D CB 0.850 41.549 40.800 -0.168 0.000 1.447 371 D HN 0.655 nan 8.370 nan 0.000 0.532 372 T N -1.164 113.399 114.554 0.016 0.000 3.007 372 T HA -0.131 4.220 4.350 0.001 0.000 0.270 372 T C 0.937 175.673 174.700 0.060 0.000 1.107 372 T CA 0.943 63.066 62.100 0.038 0.000 1.118 372 T CB 0.073 68.955 68.868 0.022 0.000 0.889 372 T HN 0.280 nan 8.240 nan 0.000 0.506 373 D N 0.656 121.095 120.400 0.065 0.000 2.368 373 D HA 0.170 4.811 4.640 0.001 0.000 0.218 373 D C 0.263 176.631 176.300 0.112 0.000 1.112 373 D CA -0.334 53.713 54.000 0.078 0.000 0.834 373 D CB -0.100 40.736 40.800 0.060 0.000 0.953 373 D HN 0.332 nan 8.370 nan 0.000 0.505 374 S N 0.028 115.816 115.700 0.147 0.000 2.438 374 S HA 0.163 4.634 4.470 0.001 0.000 0.293 374 S C 0.417 175.139 174.600 0.202 0.000 1.141 374 S CA -0.728 57.591 58.200 0.199 0.000 1.080 374 S CB 0.438 63.840 63.200 0.338 0.000 0.978 374 S HN 0.212 nan 8.310 nan 0.000 0.479 375 Y N 6.648 126.989 120.300 0.068 0.000 2.181 375 Y HA -0.108 4.443 4.550 0.002 0.000 0.288 375 Y C 1.377 177.271 175.900 -0.010 0.000 1.146 375 Y CA 1.864 59.978 58.100 0.024 0.000 1.164 375 Y CB -0.720 37.744 38.460 0.008 0.000 0.982 375 Y HN 0.844 nan 8.280 nan 0.000 0.515 376 F N -0.541 119.135 119.950 -0.457 0.000 2.046 376 F HA -0.262 4.266 4.527 0.001 0.000 0.297 376 F C 1.704 177.117 175.800 -0.645 0.000 1.123 376 F CA 2.343 59.919 58.000 -0.706 0.000 1.199 376 F CB -0.713 37.853 39.000 -0.722 0.000 0.972 376 F HN 0.092 nan 8.300 nan 0.000 0.474 377 W N 0.526 121.846 121.300 0.033 0.000 2.388 377 W HA -0.110 4.551 4.660 0.002 0.000 0.294 377 W C 3.006 179.451 176.519 -0.124 0.000 1.212 377 W CA 1.384 58.704 57.345 -0.040 0.000 1.271 377 W CB -1.083 28.371 29.460 -0.009 0.000 1.126 377 W HN 0.154 nan 8.180 nan 0.000 0.535 378 S N 0.376 116.125 115.700 0.082 0.000 2.399 378 S HA -0.112 4.359 4.470 0.001 0.000 0.231 378 S C 1.810 176.370 174.600 -0.067 0.000 1.022 378 S CA 1.171 59.393 58.200 0.037 0.000 0.983 378 S CB -0.717 62.529 63.200 0.077 0.000 0.803 378 S HN 0.138 nan 8.310 nan 0.000 0.480 379 A N 0.947 123.618 122.820 -0.248 0.000 2.218 379 A HA 0.348 4.669 4.320 0.001 0.000 0.209 379 A C 1.461 178.772 177.584 -0.456 0.000 1.168 379 A CA -0.177 51.656 52.037 -0.340 0.000 0.804 379 A CB -0.125 18.557 19.000 -0.529 0.000 0.834 379 A HN 0.498 nan 8.150 nan 0.000 0.482 380 R N 0.632 120.864 120.500 -0.446 0.000 3.194 380 R HA 0.270 4.611 4.340 0.001 0.000 0.306 380 R C -0.906 175.436 176.300 0.071 0.000 1.347 380 R CA -0.182 55.587 56.100 -0.552 0.000 1.540 380 R CB 0.532 30.348 30.300 -0.807 0.000 1.352 380 R HN 0.029 nan 8.270 nan 0.000 0.621 381 K N 0.920 121.408 120.400 0.146 0.000 2.328 381 K HA 0.397 4.718 4.320 0.001 0.000 0.246 381 K C 0.065 176.791 176.600 0.210 0.000 0.955 381 K CA -0.945 55.461 56.287 0.197 0.000 0.817 381 K CB 2.278 34.840 32.500 0.103 0.000 1.208 381 K HN 0.159 nan 8.250 nan 0.000 0.432 382 I N 2.488 123.134 120.570 0.127 0.000 2.683 382 I HA -0.015 4.156 4.170 0.001 0.000 0.286 382 I C 0.440 176.593 176.117 0.061 0.000 1.175 382 I CA 0.185 61.519 61.300 0.057 0.000 1.429 382 I CB 0.214 38.230 38.000 0.026 0.000 1.371 382 I HN 0.289 nan 8.210 nan 0.000 0.569 383 I N 7.782 128.385 120.570 0.054 0.000 2.291 383 I HA 0.088 4.259 4.170 0.001 0.000 0.292 383 I C 1.063 177.208 176.117 0.046 0.000 1.064 383 I CA 0.044 61.374 61.300 0.051 0.000 1.269 383 I CB 0.048 38.080 38.000 0.053 0.000 1.418 383 I HN 0.725 nan 8.210 nan 0.000 0.485 384 N N 3.221 121.947 118.700 0.043 0.000 2.349 384 N HA 0.089 4.830 4.740 0.001 0.000 0.216 384 N C 0.676 176.209 175.510 0.039 0.000 1.025 384 N CA 0.481 53.556 53.050 0.041 0.000 1.074 384 N CB -0.033 38.478 38.487 0.039 0.000 1.323 384 N HN 0.452 nan 8.380 nan 0.000 0.560 385 T N 0.027 114.602 114.554 0.035 0.000 13.097 385 T HA -0.325 4.026 4.350 0.001 0.000 0.418 385 T C 1.249 175.968 174.700 0.032 0.000 1.446 385 T CA 1.993 64.112 62.100 0.032 0.000 2.371 385 T CB -1.547 67.339 68.868 0.029 0.000 2.810 385 T HN 0.488 nan 8.240 nan 0.000 0.655 386 E N 1.414 121.633 120.200 0.031 0.000 2.150 386 E HA -0.039 4.312 4.350 0.001 0.000 0.193 386 E C 2.013 178.633 176.600 0.034 0.000 0.985 386 E CA 2.000 58.416 56.400 0.027 0.000 0.814 386 E CB -0.138 29.577 29.700 0.025 0.000 0.752 386 E HN 0.714 nan 8.360 nan 0.000 0.466 387 E N -0.202 120.021 120.200 0.038 0.000 2.107 387 E HA -0.154 4.197 4.350 0.001 0.000 0.191 387 E C 1.952 178.580 176.600 0.048 0.000 0.982 387 E CA 0.695 57.121 56.400 0.043 0.000 0.809 387 E CB 0.095 29.819 29.700 0.040 0.000 0.756 387 E HN 0.160 nan 8.360 nan 0.000 0.459 388 R N 0.019 120.544 120.500 0.043 0.000 2.092 388 R HA -0.037 4.304 4.340 0.001 0.000 0.231 388 R C 2.377 178.709 176.300 0.052 0.000 1.119 388 R CA 0.910 57.036 56.100 0.043 0.000 0.970 388 R CB -0.213 30.109 30.300 0.037 0.000 0.864 388 R HN 0.123 nan 8.270 nan 0.000 0.440 389 A N 1.774 124.624 122.820 0.051 0.000 1.877 389 A HA -0.176 4.145 4.320 0.001 0.000 0.216 389 A C 1.861 179.503 177.584 0.098 0.000 1.186 389 A CA 1.327 53.399 52.037 0.058 0.000 0.620 389 A CB -0.502 18.518 19.000 0.033 0.000 0.822 389 A HN 0.249 nan 8.150 nan 0.000 0.443 390 N N -0.194 118.562 118.700 0.094 0.000 2.104 390 N HA -0.170 4.571 4.740 0.001 0.000 0.190 390 N C 1.704 177.324 175.510 0.184 0.000 1.024 390 N CA 1.712 54.855 53.050 0.156 0.000 0.853 390 N CB -0.285 38.267 38.487 0.107 0.000 1.008 390 N HN 0.665 nan 8.380 nan 0.000 0.424 391 E N 0.587 120.850 120.200 0.104 0.000 2.106 391 E HA -0.062 4.289 4.350 0.001 0.000 0.192 391 E C 1.974 178.606 176.600 0.053 0.000 0.984 391 E CA 0.904 57.343 56.400 0.065 0.000 0.806 391 E CB -0.030 29.696 29.700 0.043 0.000 0.750 391 E HN 0.336 nan 8.360 nan 0.000 0.458 392 A N 1.007 123.873 122.820 0.077 0.000 1.898 392 A HA -0.174 4.147 4.320 0.001 0.000 0.216 392 A C 1.968 179.603 177.584 0.086 0.000 1.181 392 A CA 1.004 53.081 52.037 0.066 0.000 0.620 392 A CB -0.679 18.363 19.000 0.071 0.000 0.819 392 A HN 0.373 nan 8.150 nan 0.000 0.442 393 F N 0.916 120.864 119.950 -0.002 0.000 2.095 393 F HA -0.160 4.368 4.527 0.001 0.000 0.298 393 F C 2.077 177.870 175.800 -0.012 0.000 1.104 393 F CA 2.113 60.109 58.000 -0.006 0.000 1.232 393 F CB -0.550 38.447 39.000 -0.005 0.000 0.987 393 F HN 0.011 nan 8.300 nan 0.000 0.475 394 V N 1.136 120.866 119.914 -0.306 0.000 2.453 394 V HA -0.201 3.920 4.120 0.001 0.000 0.247 394 V C 2.599 178.526 176.094 -0.278 0.000 1.048 394 V CA 1.864 63.909 62.300 -0.425 0.000 1.049 394 V CB -0.663 31.067 31.823 -0.154 0.000 0.672 394 V HN 0.288 nan 8.190 nan 0.000 0.457 395 R N -0.520 119.889 120.500 -0.153 0.000 2.073 395 R HA -0.182 4.159 4.340 0.001 0.000 0.234 395 R C 2.291 178.504 176.300 -0.144 0.000 1.134 395 R CA 1.781 57.812 56.100 -0.114 0.000 0.952 395 R CB -0.659 29.611 30.300 -0.049 0.000 0.850 395 R HN 0.393 nan 8.270 nan 0.000 0.433 396 L N 1.658 122.797 121.223 -0.140 0.000 1.990 396 L HA -0.185 4.156 4.340 0.001 0.000 0.213 396 L C 1.953 178.714 176.870 -0.182 0.000 1.072 396 L CA 1.815 56.580 54.840 -0.124 0.000 0.755 396 L CB -0.417 41.603 42.059 -0.065 0.000 0.889 396 L HN 0.249 nan 8.230 nan 0.000 0.432 397 I N -2.418 117.975 120.570 -0.295 0.000 3.564 397 I HA 0.262 4.432 4.170 0.001 0.000 0.294 397 I C 1.866 177.840 176.117 -0.240 0.000 1.289 397 I CA 1.026 62.158 61.300 -0.280 0.000 1.325 397 I CB -1.106 36.659 38.000 -0.391 0.000 1.039 397 I HN 0.143 nan 8.210 nan 0.000 0.474 398 A N 1.062 123.740 122.820 -0.237 0.000 2.238 398 A HA 0.579 4.900 4.320 0.001 0.000 0.210 398 A C 1.924 179.354 177.584 -0.257 0.000 1.179 398 A CA 0.374 52.285 52.037 -0.209 0.000 0.827 398 A CB -0.764 18.128 19.000 -0.181 0.000 0.856 398 A HN 0.903 nan 8.150 nan 0.000 0.488 399 G N -0.596 108.043 108.800 -0.270 0.000 2.131 399 G HA2 -0.226 3.735 3.960 0.001 0.000 0.223 399 G HA3 -0.226 3.735 3.960 0.001 0.000 0.223 399 G C 0.547 175.156 174.900 -0.484 0.000 0.990 399 G CA 0.319 45.190 45.100 -0.381 0.000 0.671 399 G HN 0.508 nan 8.290 nan 0.000 0.521 400 R N 0.262 120.604 120.500 -0.264 0.000 2.577 400 R HA 0.236 4.577 4.340 0.001 0.000 0.344 400 R C 2.263 178.556 176.300 -0.013 0.000 1.037 400 R CA 0.611 56.633 56.100 -0.129 0.000 1.102 400 R CB 0.288 30.533 30.300 -0.092 0.000 1.313 400 R HN 0.444 nan 8.270 nan 0.000 0.561 401 S N 0.354 116.040 115.700 -0.023 0.000 2.442 401 S HA -0.128 4.343 4.470 0.001 0.000 0.236 401 S C 1.081 175.712 174.600 0.053 0.000 1.007 401 S CA 0.673 58.880 58.200 0.011 0.000 0.965 401 S CB -0.255 62.946 63.200 0.001 0.000 0.773 401 S HN 0.179 nan 8.310 nan 0.000 0.504 402 N N 1.472 120.235 118.700 0.105 0.000 2.448 402 N HA 0.251 4.992 4.740 0.001 0.000 0.250 402 N C 0.400 175.974 175.510 0.106 0.000 1.136 402 N CA -0.214 52.904 53.050 0.114 0.000 0.953 402 N CB 0.005 38.581 38.487 0.149 0.000 1.251 402 N HN 0.322 nan 8.380 nan 0.000 0.502 403 L N 1.392 122.653 121.223 0.064 0.000 2.456 403 L HA -0.017 4.324 4.340 0.001 0.000 0.224 403 L C 0.798 177.688 176.870 0.035 0.000 1.148 403 L CA 0.759 55.629 54.840 0.050 0.000 0.825 403 L CB 0.069 42.149 42.059 0.035 0.000 0.937 403 L HN 0.455 nan 8.230 nan 0.000 0.450 404 D N -0.387 120.029 120.400 0.027 0.000 2.340 404 D HA -0.035 4.606 4.640 0.001 0.000 0.220 404 D C 0.387 176.676 176.300 -0.018 0.000 1.039 404 D CA 0.345 54.348 54.000 0.005 0.000 0.866 404 D CB 0.354 41.155 40.800 0.002 0.000 0.913 404 D HN 0.129 nan 8.370 nan 0.000 0.523 405 E N 1.898 122.089 120.200 -0.015 0.000 2.028 405 E HA 0.130 4.481 4.350 0.001 0.000 0.266 405 E C -1.731 174.807 176.600 -0.103 0.000 0.962 405 E CA -2.219 54.117 56.400 -0.107 0.000 0.784 405 E CB 1.385 30.974 29.700 -0.185 0.000 1.114 405 E HN -0.107 nan 8.360 nan 0.000 0.414 406 P HA -0.156 nan 4.420 nan 0.000 0.220 406 P C 1.117 178.374 177.300 -0.073 0.000 1.148 406 P CA 0.612 63.675 63.100 -0.062 0.000 0.803 406 P CB 0.324 31.989 31.700 -0.058 0.000 0.782 407 V N -1.194 118.611 119.914 -0.180 0.000 2.594 407 V HA -0.165 3.956 4.120 0.001 0.000 0.253 407 V C 1.938 178.041 176.094 0.016 0.000 1.069 407 V CA 1.572 63.767 62.300 -0.175 0.000 1.082 407 V CB -1.308 30.305 31.823 -0.350 0.000 0.680 407 V HN -0.037 nan 8.190 nan 0.000 0.469 408 F N -1.119 118.824 119.950 -0.011 0.000 2.704 408 F HA 0.317 4.845 4.527 0.001 0.000 0.304 408 F C 1.548 177.340 175.800 -0.014 0.000 1.094 408 F CA -0.380 57.612 58.000 -0.014 0.000 1.275 408 F CB 0.073 39.063 39.000 -0.016 0.000 1.073 408 F HN 0.175 nan 8.300 nan 0.000 0.586 409 Q N -0.311 119.575 119.800 0.143 0.000 2.129 409 Q HA 0.320 4.661 4.340 0.001 0.000 0.274 409 Q C 0.142 176.168 176.000 0.045 0.000 0.854 409 Q CA 0.046 55.898 55.803 0.081 0.000 1.123 409 Q CB 1.073 29.848 28.738 0.062 0.000 1.226 409 Q HN 0.028 nan 8.270 nan 0.000 0.454 461 F N 2.610 122.599 119.950 0.063 0.000 2.585 461 F HA 0.456 4.984 4.527 0.001 0.000 0.319 461 F C -0.333 175.525 175.800 0.096 0.000 1.165 461 F CA -0.553 57.495 58.000 0.080 0.000 0.949 461 F CB 1.057 40.111 39.000 0.090 0.000 1.218 461 F HN 0.250 nan 8.300 nan 0.000 0.453 462 M N 3.735 123.047 119.600 -0.479 0.000 2.302 462 M HA -0.274 4.207 4.480 0.001 0.000 0.200 462 M C 0.092 176.427 176.300 0.057 0.000 0.366 462 M CA 0.827 55.913 55.300 -0.357 0.000 0.440 462 M CB -2.320 29.919 32.600 -0.602 0.000 1.475 462 M HN 0.844 nan 8.290 nan 0.000 0.905 463 Q N 0.258 120.130 119.800 0.121 0.000 2.269 463 Q HA 0.290 4.631 4.340 0.001 0.000 0.300 463 Q C 1.400 177.481 176.000 0.134 0.000 1.070 463 Q CA 1.642 57.493 55.803 0.080 0.000 0.957 463 Q CB 0.175 28.877 28.738 -0.060 0.000 1.131 463 Q HN 0.749 nan 8.270 nan 0.000 0.377 464 G N 3.077 111.931 108.800 0.090 0.000 2.184 464 G HA2 -0.230 3.731 3.960 0.001 0.000 0.206 464 G HA3 -0.230 3.731 3.960 0.001 0.000 0.206 464 G C -0.556 174.272 174.900 -0.120 0.000 0.995 464 G CA -0.346 44.762 45.100 0.013 0.000 0.651 464 G HN 0.516 nan 8.290 nan 0.000 0.511 465 F N 1.197 121.189 119.950 0.069 0.000 2.458 465 F HA 0.738 5.266 4.527 0.001 0.000 0.330 465 F C 1.091 176.905 175.800 0.023 0.000 1.082 465 F CA -0.102 57.916 58.000 0.029 0.000 0.995 465 F CB 1.851 40.809 39.000 -0.071 0.000 1.170 465 F HN 0.001 nan 8.300 nan 0.000 0.478 466 T N 1.401 116.139 114.554 0.307 0.000 2.663 466 T HA 0.038 4.389 4.350 0.001 0.000 0.325 466 T C 1.590 176.361 174.700 0.118 0.000 1.059 466 T CA -0.013 62.189 62.100 0.170 0.000 1.039 466 T CB 0.509 69.469 68.868 0.152 0.000 0.996 466 T HN 0.766 nan 8.240 nan 0.000 0.539 467 R N 1.159 121.700 120.500 0.069 0.000 2.115 467 R HA 0.001 4.342 4.340 0.001 0.000 0.230 467 R C 2.205 178.510 176.300 0.008 0.000 1.111 467 R CA 2.054 58.178 56.100 0.040 0.000 0.976 467 R CB -0.412 29.902 30.300 0.024 0.000 0.870 467 R HN 0.798 nan 8.270 nan 0.000 0.445 468 E N 0.740 120.936 120.200 -0.007 0.000 2.031 468 E HA -0.158 4.193 4.350 0.001 0.000 0.193 468 E C 1.825 178.364 176.600 -0.101 0.000 0.994 468 E CA 1.411 57.782 56.400 -0.049 0.000 0.800 468 E CB 0.079 29.751 29.700 -0.047 0.000 0.752 468 E HN 0.340 nan 8.360 nan 0.000 0.447 469 I N 1.286 121.773 120.570 -0.138 0.000 2.226 469 I HA -0.224 3.947 4.170 0.001 0.000 0.245 469 I C 2.376 178.348 176.117 -0.242 0.000 1.100 469 I CA 1.452 62.566 61.300 -0.309 0.000 1.374 469 I CB -1.592 36.027 38.000 -0.635 0.000 1.057 469 I HN 0.221 nan 8.210 nan 0.000 0.413 470 T N 0.599 115.089 114.554 -0.108 0.000 2.720 470 T HA -0.163 4.188 4.350 0.001 0.000 0.268 470 T C 1.824 176.604 174.700 0.133 0.000 1.037 470 T CA 1.191 63.303 62.100 0.019 0.000 1.144 470 T CB -0.113 68.821 68.868 0.110 0.000 0.864 470 T HN 0.265 nan 8.240 nan 0.000 0.444 471 E N 1.043 121.268 120.200 0.041 0.000 2.047 471 E HA 0.002 4.353 4.350 0.001 0.000 0.191 471 E C 2.373 178.973 176.600 -0.000 0.000 0.987 471 E CA 0.719 57.132 56.400 0.022 0.000 0.799 471 E CB -0.514 29.167 29.700 -0.031 0.000 0.752 471 E HN 0.461 nan 8.360 nan 0.000 0.449 472 L N 1.036 122.217 121.223 -0.070 0.000 2.042 472 L HA -0.248 4.093 4.340 0.001 0.000 0.210 472 L C 2.618 179.434 176.870 -0.090 0.000 1.076 472 L CA 1.225 55.990 54.840 -0.124 0.000 0.749 472 L CB -0.437 41.492 42.059 -0.217 0.000 0.893 472 L HN 0.083 nan 8.230 nan 0.000 0.432 473 Q N -1.097 118.684 119.800 -0.032 0.000 2.119 473 Q HA -0.207 4.133 4.340 0.001 0.000 0.201 473 Q C 2.191 178.341 176.000 0.249 0.000 0.972 473 Q CA 1.333 57.179 55.803 0.071 0.000 0.847 473 Q CB -0.509 28.207 28.738 -0.036 0.000 0.903 473 Q HN 0.581 nan 8.270 nan 0.000 0.433 474 H N 0.409 119.610 119.070 0.218 0.000 2.321 474 H HA -0.106 4.451 4.556 0.002 0.000 0.300 474 H C 1.997 177.114 175.328 -0.350 0.000 1.087 474 H CA 1.153 57.153 56.048 -0.080 0.000 1.319 474 H CB 0.061 29.738 29.762 -0.141 0.000 1.379 474 H HN 0.115 nan 8.280 nan 0.000 0.501 475 L N 1.075 122.166 121.223 -0.220 0.000 2.042 475 L HA -0.127 4.213 4.340 0.001 0.000 0.210 475 L C 2.816 179.266 176.870 -0.699 0.000 1.076 475 L CA 2.006 56.492 54.840 -0.591 0.000 0.749 475 L CB -1.219 40.666 42.059 -0.289 0.000 0.893 475 L HN 0.349 nan 8.230 nan 0.000 0.432 476 A N -1.385 121.247 122.820 -0.312 0.000 1.898 476 A HA -0.180 4.141 4.320 0.001 0.000 0.216 476 A C 2.190 179.709 177.584 -0.109 0.000 1.181 476 A CA 1.978 53.918 52.037 -0.162 0.000 0.620 476 A CB -0.378 18.588 19.000 -0.057 0.000 0.819 476 A HN 0.486 nan 8.150 nan 0.000 0.442 477 M N -3.571 115.961 119.600 -0.113 0.000 2.486 477 M HA 0.259 4.740 4.480 0.001 0.000 0.264 477 M C -0.161 176.112 176.300 -0.046 0.000 1.125 477 M CA 0.181 55.468 55.300 -0.022 0.000 1.144 477 M CB 0.261 32.909 32.600 0.080 0.000 1.353 477 M HN 0.205 nan 8.290 nan 0.000 0.466 478 F N 1.567 121.354 119.950 -0.271 0.000 3.074 478 F HA -0.139 4.389 4.527 0.001 0.000 0.287 478 F C 0.999 176.440 175.800 -0.598 0.000 0.932 478 F CA 1.076 58.811 58.000 -0.442 0.000 0.995 478 F CB -2.220 36.662 39.000 -0.196 0.000 0.966 478 F HN 0.465 nan 8.300 nan 0.000 0.721 494 V N -0.591 119.442 119.914 0.199 0.000 2.914 494 V HA 0.769 4.890 4.120 0.001 0.000 0.314 494 V C -2.733 173.594 176.094 0.388 0.000 1.084 494 V CA -2.423 60.045 62.300 0.280 0.000 0.963 494 V CB 1.860 33.765 31.823 0.136 0.000 1.025 494 V HN 0.499 nan 8.190 nan 0.000 0.432 495 P HA 0.257 nan 4.420 nan 0.000 0.272 495 P C 0.114 177.415 177.300 0.002 0.000 1.223 495 P CA 0.068 63.167 63.100 -0.002 0.000 0.784 495 P CB 0.508 32.125 31.700 -0.137 0.000 0.923 496 S N 1.959 117.627 115.700 -0.055 0.000 2.569 496 S HA 0.011 4.482 4.470 0.001 0.000 0.274 496 S C 1.461 176.030 174.600 -0.053 0.000 1.353 496 S CA -0.373 57.802 58.200 -0.042 0.000 1.023 496 S CB 0.296 63.456 63.200 -0.066 0.000 0.876 496 S HN 0.522 nan 8.310 nan 0.000 0.540 497 R N 0.593 121.074 120.500 -0.032 0.000 2.153 497 R HA -0.238 4.103 4.340 0.001 0.000 0.252 497 R C 1.477 177.746 176.300 -0.050 0.000 1.158 497 R CA 2.220 58.302 56.100 -0.030 0.000 0.975 497 R CB -0.659 29.630 30.300 -0.019 0.000 0.871 497 R HN 0.850 nan 8.270 nan 0.000 0.450 498 D N -1.157 119.202 120.400 -0.068 0.000 2.219 498 D HA -0.064 4.577 4.640 0.001 0.000 0.205 498 D C 1.127 177.345 176.300 -0.137 0.000 0.970 498 D CA 1.614 55.562 54.000 -0.088 0.000 0.851 498 D CB -0.130 40.614 40.800 -0.092 0.000 0.943 498 D HN 0.544 nan 8.370 nan 0.000 0.488 499 G N -0.121 108.577 108.800 -0.171 0.000 2.162 499 G HA2 -0.278 3.683 3.960 0.001 0.000 0.260 499 G HA3 -0.278 3.683 3.960 0.001 0.000 0.260 499 G C 0.988 175.646 174.900 -0.403 0.000 0.976 499 G CA 0.601 45.549 45.100 -0.253 0.000 0.655 499 G HN 0.443 nan 8.290 nan 0.000 0.533 500 L N -0.612 120.396 121.223 -0.358 0.000 2.616 500 L HA 0.628 4.969 4.340 0.001 0.000 0.229 500 L C 1.358 177.981 176.870 -0.410 0.000 1.110 500 L CA 0.803 55.397 54.840 -0.411 0.000 0.884 500 L CB 0.093 41.999 42.059 -0.255 0.000 1.115 500 L HN 0.580 nan 8.230 nan 0.000 0.481 501 A N -1.482 121.093 122.820 -0.409 0.000 2.533 501 A HA 0.594 4.915 4.320 0.001 0.000 0.293 501 A C -2.259 175.053 177.584 -0.455 0.000 1.228 501 A CA -0.556 51.231 52.037 -0.418 0.000 0.689 501 A CB 0.492 19.384 19.000 -0.180 0.000 1.303 501 A HN 0.107 nan 8.150 nan 0.000 0.444 502 W N 0.019 121.258 121.300 -0.102 0.000 2.438 502 W HA 0.604 5.265 4.660 0.001 0.000 0.324 502 W C 0.583 177.070 176.519 -0.053 0.000 1.119 502 W CA 0.137 57.434 57.345 -0.080 0.000 1.221 502 W CB 1.719 31.126 29.460 -0.089 0.000 1.253 502 W HN 0.953 nan 8.180 nan 0.000 0.555 503 A N 0.000 122.970 122.820 0.250 0.000 2.254 503 A HA 0.000 4.321 4.320 0.001 0.000 0.244 503 A CA 0.000 52.113 52.037 0.127 0.000 0.836 503 A CB 0.000 19.058 19.000 0.096 0.000 0.831 503 A HN 0.000 nan 8.150 nan 0.000 0.486