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 1t0l_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSKKISGGSV VEMQGDEMTR IIWELIKEKL IFPYVELDLH SYDLGIENRD DATA SEQUENCE ATNDQVTKDA AEAIKKHNVG VKCATITPDE KRVEEFKLKQ MWKSPNGTIR DATA SEQUENCE NILGGTVFRE AIICKNIPRL VSGWVKPIII GRHAYGDQYR ATDFVVPGPG DATA SEQUENCE KVEITYTPSD GTQKVTYLVH NFEEGGGVAM GMYNQDKSIE DFAHSSFQMA DATA SEQUENCE LSKGWPLYLS TKNTILKKYD GRFKDIFQEI YDKQYKSQFE AQKIWYEHRL DATA SEQUENCE IDDMVAQAMK SEGGFIWACK NYDGDVQSDS VAQGYGSLGM MTSVLVCPDG DATA SEQUENCE KTVEAEAAHG TVTRHYRMYQ KGQETSTNPI ASIFAWTRGL AHRAKLDNNK DATA SEQUENCE ELAFFANALE EVSIETIEAG FMTKDLAACI KGLPNVQRSD YLNTFEFMDK DATA SEQUENCE LGENLKIKLA QAKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.219 176.300 -0.136 0.000 1.140 1 M CA 0.000 55.210 55.300 -0.150 0.000 0.988 1 M CB 0.000 32.571 32.600 -0.049 0.000 1.302 2 S N 2.594 118.231 115.700 -0.106 0.000 2.400 2 S HA 0.667 5.136 4.470 -0.001 0.000 0.295 2 S C -0.528 173.988 174.600 -0.140 0.000 1.113 2 S CA -0.425 57.706 58.200 -0.115 0.000 1.064 2 S CB 0.179 63.311 63.200 -0.112 0.000 0.990 2 S HN 0.371 nan 8.310 nan 0.000 0.502 3 K N 1.865 122.188 120.400 -0.128 0.000 2.433 3 K HA 0.580 4.899 4.320 -0.001 0.000 0.252 3 K C -0.042 176.503 176.600 -0.091 0.000 1.015 3 K CA -1.155 55.058 56.287 -0.123 0.000 0.860 3 K CB 1.378 33.798 32.500 -0.133 0.000 1.359 3 K HN 0.215 nan 8.250 nan 0.000 0.452 4 K N 0.181 120.538 120.400 -0.072 0.000 2.665 4 K HA 0.340 4.660 4.320 -0.001 0.000 0.197 4 K C 0.296 176.871 176.600 -0.041 0.000 1.463 4 K CA 0.292 56.553 56.287 -0.044 0.000 1.107 4 K CB 0.676 33.169 32.500 -0.012 0.000 1.584 4 K HN 0.537 nan 8.250 nan 0.000 0.558 5 I N 2.273 122.810 120.570 -0.055 0.000 2.428 5 I HA 0.090 4.259 4.170 -0.001 0.000 0.289 5 I C 0.015 176.101 176.117 -0.051 0.000 1.019 5 I CA -0.167 61.102 61.300 -0.051 0.000 1.351 5 I CB 1.514 39.470 38.000 -0.073 0.000 1.412 5 I HN -0.101 nan 8.210 nan 0.000 0.513 6 S N 4.445 120.128 115.700 -0.028 0.000 2.430 6 S HA 0.157 4.626 4.470 -0.001 0.000 0.282 6 S C 1.077 175.674 174.600 -0.005 0.000 1.186 6 S CA -0.371 57.818 58.200 -0.019 0.000 1.060 6 S CB 1.123 64.317 63.200 -0.010 0.000 0.966 6 S HN 0.906 nan 8.310 nan 0.000 0.501 7 G N 2.144 110.945 108.800 0.000 0.000 2.459 7 G HA2 0.492 4.451 3.960 -0.001 0.000 0.213 7 G HA3 0.492 4.451 3.960 -0.001 0.000 0.213 7 G C 0.745 175.674 174.900 0.048 0.000 1.155 7 G CA 0.305 45.423 45.100 0.030 0.000 0.811 7 G HN 1.189 nan 8.290 nan 0.000 0.534 8 G N -0.755 108.071 108.800 0.043 0.000 2.582 8 G HA2 0.015 3.974 3.960 -0.001 0.000 0.222 8 G HA3 0.015 3.974 3.960 -0.001 0.000 0.222 8 G C -0.294 174.651 174.900 0.076 0.000 1.311 8 G CA -0.191 44.942 45.100 0.056 0.000 0.915 8 G HN 0.799 nan 8.290 nan 0.000 0.528 9 S N -0.488 115.265 115.700 0.087 0.000 2.474 9 S HA 0.581 5.050 4.470 -0.001 0.000 0.276 9 S C 0.137 174.777 174.600 0.067 0.000 1.227 9 S CA -0.228 58.021 58.200 0.081 0.000 1.050 9 S CB 1.369 64.616 63.200 0.077 0.000 0.939 9 S HN 1.247 nan 8.310 nan 0.000 0.490 10 V N 3.854 123.820 119.914 0.088 0.000 2.760 10 V HA 0.360 4.479 4.120 -0.001 0.000 0.309 10 V C -0.442 175.716 176.094 0.107 0.000 1.077 10 V CA -0.839 61.514 62.300 0.088 0.000 0.910 10 V CB 2.171 34.062 31.823 0.114 0.000 1.008 10 V HN 0.624 nan 8.190 nan 0.000 0.424 11 V N 3.831 123.791 119.914 0.077 0.000 2.383 11 V HA 0.390 4.509 4.120 -0.001 0.000 0.275 11 V C 0.178 176.345 176.094 0.121 0.000 1.036 11 V CA -0.256 62.128 62.300 0.140 0.000 0.889 11 V CB 1.339 33.221 31.823 0.099 0.000 0.985 11 V HN 0.949 nan 8.190 nan 0.000 0.459 12 E N 5.490 125.820 120.200 0.217 0.000 2.191 12 E HA 0.625 4.974 4.350 -0.001 0.000 0.274 12 E C -1.239 175.505 176.600 0.241 0.000 0.948 12 E CA -0.814 55.721 56.400 0.224 0.000 0.802 12 E CB 1.569 31.490 29.700 0.369 0.000 1.137 12 E HN 0.645 nan 8.360 nan 0.000 0.397 13 M N 3.701 123.376 119.600 0.124 0.000 2.053 13 M HA 0.228 4.707 4.480 -0.001 0.000 0.297 13 M C -0.766 175.393 176.300 -0.235 0.000 0.921 13 M CA -0.461 54.834 55.300 -0.008 0.000 0.918 13 M CB 2.042 34.589 32.600 -0.089 0.000 1.499 13 M HN 0.399 nan 8.290 nan 0.000 0.422 14 Q N 0.885 120.594 119.800 -0.152 0.000 2.394 14 Q HA 0.583 4.922 4.340 -0.001 0.000 0.248 14 Q C 0.564 176.357 176.000 -0.344 0.000 0.992 14 Q CA -0.116 55.496 55.803 -0.317 0.000 0.888 14 Q CB 1.202 29.908 28.738 -0.053 0.000 1.257 14 Q HN 0.865 nan 8.270 nan 0.000 0.462 15 G N 0.623 109.185 108.800 -0.395 0.000 3.234 15 G HA2 0.337 4.296 3.960 -0.001 0.000 0.159 15 G HA3 0.337 4.296 3.960 -0.001 0.000 0.159 15 G C -0.976 173.811 174.900 -0.188 0.000 1.175 15 G CA -0.408 44.520 45.100 -0.285 0.000 0.900 15 G HN 0.560 nan 8.290 nan 0.000 0.621 16 D N -0.446 119.850 120.400 -0.173 0.000 2.450 16 D HA 0.385 5.024 4.640 -0.001 0.000 0.238 16 D C 0.188 176.364 176.300 -0.206 0.000 1.020 16 D CA -0.263 53.636 54.000 -0.168 0.000 1.010 16 D CB 2.131 42.831 40.800 -0.167 0.000 1.342 16 D HN 0.577 nan 8.370 nan 0.000 0.530 17 E N -0.443 119.545 120.200 -0.353 0.000 3.574 17 E HA -0.356 3.993 4.350 -0.001 0.000 0.379 17 E C 1.174 177.515 176.600 -0.432 0.000 1.582 17 E CA 1.219 57.155 56.400 -0.773 0.000 1.849 17 E CB -0.634 28.606 29.700 -0.767 0.000 1.717 17 E HN 0.348 nan 8.360 nan 0.000 0.433 18 M N 0.943 120.401 119.600 -0.236 0.000 2.144 18 M HA -0.156 4.323 4.480 -0.001 0.000 0.260 18 M C 2.311 178.615 176.300 0.007 0.000 1.067 18 M CA 2.835 58.140 55.300 0.008 0.000 1.095 18 M CB -0.512 32.149 32.600 0.102 0.000 1.365 18 M HN 0.599 nan 8.290 nan 0.000 0.406 19 T N -2.321 112.240 114.554 0.011 0.000 2.915 19 T HA -0.137 4.213 4.350 -0.001 0.000 0.269 19 T C 1.893 176.659 174.700 0.110 0.000 1.071 19 T CA 1.338 63.493 62.100 0.091 0.000 1.132 19 T CB -0.562 68.364 68.868 0.097 0.000 0.878 19 T HN 0.515 nan 8.240 nan 0.000 0.479 20 R N 0.788 121.301 120.500 0.022 0.000 2.075 20 R HA -0.038 4.302 4.340 -0.001 0.000 0.232 20 R C 2.146 178.532 176.300 0.144 0.000 1.126 20 R CA 1.098 57.233 56.100 0.058 0.000 0.963 20 R CB -0.332 29.959 30.300 -0.015 0.000 0.858 20 R HN 0.283 nan 8.270 nan 0.000 0.435 21 I N 1.340 121.965 120.570 0.092 0.000 2.142 21 I HA -0.285 3.884 4.170 -0.001 0.000 0.240 21 I C 2.447 178.636 176.117 0.119 0.000 1.078 21 I CA 1.447 62.810 61.300 0.104 0.000 1.343 21 I CB -1.046 36.976 38.000 0.037 0.000 1.046 21 I HN 0.263 nan 8.210 nan 0.000 0.405 22 I N -0.520 120.109 120.570 0.098 0.000 2.286 22 I HA -0.335 3.834 4.170 -0.001 0.000 0.248 22 I C 2.646 178.861 176.117 0.164 0.000 1.115 22 I CA 1.339 62.695 61.300 0.093 0.000 1.392 22 I CB -0.430 37.632 38.000 0.103 0.000 1.065 22 I HN 0.430 nan 8.210 nan 0.000 0.418 23 W N 2.264 123.589 121.300 0.042 0.000 2.318 23 W HA -0.233 4.426 4.660 -0.001 0.000 0.313 23 W C 2.334 178.845 176.519 -0.014 0.000 1.221 23 W CA 1.602 58.992 57.345 0.074 0.000 1.266 23 W CB -0.047 29.489 29.460 0.127 0.000 1.150 23 W HN 0.166 nan 8.180 nan 0.000 0.496 24 E N 0.475 120.782 120.200 0.178 0.000 2.106 24 E HA -0.169 4.181 4.350 -0.001 0.000 0.192 24 E C 2.275 178.808 176.600 -0.111 0.000 0.984 24 E CA 1.119 57.531 56.400 0.020 0.000 0.806 24 E CB -0.852 28.910 29.700 0.104 0.000 0.750 24 E HN 0.428 nan 8.360 nan 0.000 0.458 25 L N 0.437 121.630 121.223 -0.050 0.000 2.083 25 L HA -0.141 4.198 4.340 -0.001 0.000 0.209 25 L C 2.478 179.229 176.870 -0.198 0.000 1.083 25 L CA 0.785 55.583 54.840 -0.070 0.000 0.752 25 L CB -0.370 41.692 42.059 0.005 0.000 0.899 25 L HN 0.100 nan 8.230 nan 0.000 0.433 26 I N -0.223 120.169 120.570 -0.296 0.000 2.202 26 I HA -0.287 3.882 4.170 -0.001 0.000 0.242 26 I C 2.523 178.215 176.117 -0.708 0.000 1.091 26 I CA 1.402 62.419 61.300 -0.472 0.000 1.368 26 I CB -0.269 37.370 38.000 -0.602 0.000 1.058 26 I HN 0.217 nan 8.210 nan 0.000 0.410 27 K N 0.399 120.242 120.400 -0.928 0.000 2.057 27 K HA -0.221 4.099 4.320 -0.001 0.000 0.206 27 K C 2.085 178.066 176.600 -1.032 0.000 1.050 27 K CA 1.463 56.965 56.287 -1.310 0.000 0.935 27 K CB -0.169 31.434 32.500 -1.494 0.000 0.715 27 K HN 0.124 nan 8.250 nan 0.000 0.439 28 E N 1.229 121.076 120.200 -0.588 0.000 2.106 28 E HA -0.129 4.220 4.350 -0.001 0.000 0.192 28 E C 1.319 177.814 176.600 -0.175 0.000 0.984 28 E CA 1.495 57.732 56.400 -0.273 0.000 0.806 28 E CB 0.268 29.889 29.700 -0.131 0.000 0.750 28 E HN 0.193 nan 8.360 nan 0.000 0.458 29 K N -1.060 119.234 120.400 -0.178 0.000 2.335 29 K HA 0.207 4.526 4.320 -0.001 0.000 0.195 29 K C 1.678 178.266 176.600 -0.019 0.000 1.058 29 K CA 0.315 56.550 56.287 -0.086 0.000 0.988 29 K CB 0.587 33.049 32.500 -0.063 0.000 0.880 29 K HN 0.098 nan 8.250 nan 0.000 0.513 30 L N 0.173 121.343 121.223 -0.089 0.000 2.537 30 L HA 0.163 4.503 4.340 -0.001 0.000 0.224 30 L C 1.586 178.562 176.870 0.177 0.000 1.065 30 L CA 0.027 54.889 54.840 0.037 0.000 0.860 30 L CB 0.097 42.091 42.059 -0.108 0.000 1.086 30 L HN 0.037 nan 8.230 nan 0.000 0.482 31 I N -0.615 119.900 120.570 -0.091 0.000 3.098 31 I HA -0.009 4.160 4.170 -0.001 0.000 0.241 31 I C 2.413 178.567 176.117 0.061 0.000 1.081 31 I CA 1.008 62.284 61.300 -0.041 0.000 1.487 31 I CB -1.219 36.536 38.000 -0.409 0.000 1.366 31 I HN 0.064 nan 8.210 nan 0.000 0.463 32 F N 1.825 121.661 119.950 -0.191 0.000 2.115 32 F HA -0.210 4.316 4.527 -0.001 0.000 0.300 32 F C -0.168 175.490 175.800 -0.237 0.000 1.092 32 F CA 1.173 59.063 58.000 -0.184 0.000 1.245 32 F CB -1.908 36.993 39.000 -0.165 0.000 0.995 32 F HN 0.149 nan 8.300 nan 0.000 0.481 33 P HA -0.182 nan 4.420 nan 0.000 0.219 33 P C 0.312 177.205 177.300 -0.678 0.000 1.146 33 P CA 1.764 64.553 63.100 -0.519 0.000 0.808 33 P CB -0.196 30.998 31.700 -0.843 0.000 0.779 34 Y N -3.345 116.908 120.300 -0.078 0.000 2.426 34 Y HA 0.261 4.811 4.550 -0.001 0.000 0.249 34 Y C 0.594 176.323 175.900 -0.284 0.000 1.103 34 Y CA -0.294 57.710 58.100 -0.161 0.000 1.256 34 Y CB 0.442 38.816 38.460 -0.143 0.000 1.208 34 Y HN -0.357 nan 8.280 nan 0.000 0.519 35 V N 0.900 120.718 119.914 -0.161 0.000 2.531 35 V HA 0.350 4.469 4.120 -0.001 0.000 0.301 35 V C -0.856 175.184 176.094 -0.091 0.000 1.034 35 V CA -1.036 61.154 62.300 -0.183 0.000 0.865 35 V CB 2.113 33.759 31.823 -0.295 0.000 0.995 35 V HN -0.067 nan 8.190 nan 0.000 0.424 36 E N 4.209 124.356 120.200 -0.089 0.000 2.167 36 E HA 0.630 4.979 4.350 -0.001 0.000 0.284 36 E C -1.254 175.311 176.600 -0.060 0.000 1.016 36 E CA -0.004 56.338 56.400 -0.096 0.000 0.817 36 E CB 0.880 30.527 29.700 -0.087 0.000 1.080 36 E HN 0.600 nan 8.360 nan 0.000 0.397 37 L N 3.010 124.194 121.223 -0.066 0.000 2.341 37 L HA 0.419 4.758 4.340 -0.001 0.000 0.267 37 L C -0.381 176.469 176.870 -0.034 0.000 1.009 37 L CA -1.132 53.706 54.840 -0.004 0.000 0.819 37 L CB 1.862 43.976 42.059 0.092 0.000 1.323 37 L HN 0.477 nan 8.230 nan 0.000 0.425 38 D N 2.673 123.075 120.400 0.002 0.000 2.563 38 D HA 0.227 4.866 4.640 -0.001 0.000 0.222 38 D C -0.533 175.753 176.300 -0.022 0.000 1.145 38 D CA -0.109 53.874 54.000 -0.028 0.000 1.001 38 D CB 0.116 40.940 40.800 0.041 0.000 1.049 38 D HN 0.246 nan 8.370 nan 0.000 0.515 39 L N 2.782 123.964 121.223 -0.069 0.000 2.331 39 L HA 0.229 4.568 4.340 -0.001 0.000 0.278 39 L C -0.302 176.458 176.870 -0.183 0.000 1.106 39 L CA -0.347 54.494 54.840 0.001 0.000 0.824 39 L CB 0.558 42.669 42.059 0.086 0.000 1.142 39 L HN 0.425 nan 8.230 nan 0.000 0.443 40 H N 1.530 120.601 119.070 0.003 0.000 2.718 40 H HA 0.301 4.856 4.556 -0.001 0.000 0.295 40 H C -0.441 174.933 175.328 0.075 0.000 1.051 40 H CA -0.331 55.715 56.048 -0.002 0.000 1.260 40 H CB 1.119 30.892 29.762 0.018 0.000 1.403 40 H HN 0.409 nan 8.280 nan 0.000 0.488 41 S N 2.583 118.295 115.700 0.020 0.000 2.554 41 S HA 0.417 4.886 4.470 -0.001 0.000 0.278 41 S C -0.859 173.623 174.600 -0.197 0.000 1.242 41 S CA -0.587 57.649 58.200 0.060 0.000 1.051 41 S CB 0.553 63.807 63.200 0.090 0.000 0.986 41 S HN 0.440 nan 8.310 nan 0.000 0.502 42 Y N 0.747 121.089 120.300 0.071 0.000 2.331 42 Y HA 0.252 4.801 4.550 -0.001 0.000 0.326 42 Y C -0.253 175.645 175.900 -0.003 0.000 1.020 42 Y CA -1.134 56.982 58.100 0.026 0.000 1.136 42 Y CB 1.121 39.587 38.460 0.010 0.000 1.157 42 Y HN 0.516 nan 8.280 nan 0.000 0.444 43 D N 4.393 124.842 120.400 0.082 0.000 2.352 43 D HA 0.145 4.785 4.640 -0.001 0.000 0.245 43 D C 0.176 176.468 176.300 -0.013 0.000 1.224 43 D CA 0.266 54.280 54.000 0.024 0.000 0.879 43 D CB 0.809 41.614 40.800 0.008 0.000 1.057 43 D HN 0.678 nan 8.370 nan 0.000 0.491 44 L N 3.293 124.483 121.223 -0.055 0.000 2.688 44 L HA 0.269 4.608 4.340 -0.001 0.000 0.234 44 L C 1.447 178.237 176.870 -0.132 0.000 1.192 44 L CA -0.525 54.256 54.840 -0.099 0.000 0.984 44 L CB -0.032 41.957 42.059 -0.117 0.000 1.232 44 L HN 0.324 nan 8.230 nan 0.000 0.465 45 G N 0.001 108.731 108.800 -0.117 0.000 2.554 45 G HA2 0.065 4.024 3.960 -0.001 0.000 0.238 45 G HA3 0.065 4.024 3.960 -0.001 0.000 0.238 45 G C 0.899 175.699 174.900 -0.165 0.000 1.259 45 G CA -0.388 44.633 45.100 -0.132 0.000 0.843 45 G HN 0.117 nan 8.290 nan 0.000 0.582 46 I N 0.652 121.084 120.570 -0.231 0.000 2.335 46 I HA -0.146 4.023 4.170 -0.001 0.000 0.251 46 I C 2.359 178.337 176.117 -0.233 0.000 1.129 46 I CA 1.678 62.800 61.300 -0.297 0.000 1.402 46 I CB -0.117 37.538 38.000 -0.574 0.000 1.069 46 I HN 0.670 nan 8.210 nan 0.000 0.424 47 E N -0.079 120.020 120.200 -0.169 0.000 2.072 47 E HA -0.201 4.149 4.350 -0.001 0.000 0.191 47 E C 2.011 178.576 176.600 -0.058 0.000 0.985 47 E CA 1.335 57.701 56.400 -0.057 0.000 0.801 47 E CB -0.383 29.330 29.700 0.020 0.000 0.750 47 E HN 0.501 nan 8.360 nan 0.000 0.452 48 N N 0.291 118.944 118.700 -0.078 0.000 2.331 48 N HA -0.055 4.684 4.740 -0.001 0.000 0.180 48 N C 1.468 176.890 175.510 -0.145 0.000 1.019 48 N CA 0.761 53.764 53.050 -0.079 0.000 0.881 48 N CB 0.194 38.648 38.487 -0.056 0.000 0.972 48 N HN -0.015 nan 8.380 nan 0.000 0.435 49 R N -0.335 120.036 120.500 -0.215 0.000 2.073 49 R HA -0.072 4.268 4.340 -0.001 0.000 0.229 49 R C 1.399 177.358 176.300 -0.569 0.000 1.120 49 R CA 1.457 57.332 56.100 -0.374 0.000 0.967 49 R CB -0.271 29.790 30.300 -0.398 0.000 0.862 49 R HN 0.319 nan 8.270 nan 0.000 0.436 50 D N 0.317 120.493 120.400 -0.375 0.000 2.117 50 D HA -0.110 4.530 4.640 -0.001 0.000 0.197 50 D C 1.771 178.029 176.300 -0.070 0.000 0.987 50 D CA 1.438 55.351 54.000 -0.144 0.000 0.829 50 D CB 0.036 40.947 40.800 0.185 0.000 0.961 50 D HN 0.218 nan 8.370 nan 0.000 0.460 51 A N -0.458 122.324 122.820 -0.064 0.000 1.908 51 A HA -0.139 4.181 4.320 -0.001 0.000 0.218 51 A C 2.234 179.786 177.584 -0.054 0.000 1.181 51 A CA 2.406 54.429 52.037 -0.024 0.000 0.627 51 A CB -1.097 17.893 19.000 -0.017 0.000 0.818 51 A HN 0.441 nan 8.150 nan 0.000 0.445 52 T N -3.741 110.736 114.554 -0.127 0.000 3.188 52 T HA 0.135 4.485 4.350 -0.001 0.000 0.250 52 T C 0.361 174.949 174.700 -0.187 0.000 1.077 52 T CA 0.270 62.298 62.100 -0.120 0.000 0.967 52 T CB -0.455 68.348 68.868 -0.108 0.000 1.006 52 T HN 0.463 nan 8.240 nan 0.000 0.552 53 N N 2.129 120.654 118.700 -0.293 0.000 2.740 53 N HA -0.205 4.535 4.740 -0.001 0.000 0.248 53 N C 0.103 175.226 175.510 -0.645 0.000 1.062 53 N CA 1.258 54.056 53.050 -0.420 0.000 0.704 53 N CB -1.588 36.898 38.487 -0.002 0.000 0.968 53 N HN 0.691 nan 8.380 nan 0.000 0.547 54 D N -1.454 118.460 120.400 -0.811 0.000 3.079 54 D HA -0.237 4.403 4.640 -0.001 0.000 0.214 54 D C 1.127 177.275 176.300 -0.253 0.000 1.145 54 D CA 1.866 55.528 54.000 -0.563 0.000 0.958 54 D CB -0.635 39.840 40.800 -0.541 0.000 1.117 54 D HN 0.593 nan 8.370 nan 0.000 0.416 55 Q N 0.077 119.766 119.800 -0.185 0.000 2.167 55 Q HA 0.012 4.351 4.340 -0.001 0.000 0.202 55 Q C 2.079 178.046 176.000 -0.055 0.000 0.970 55 Q CA 1.870 57.622 55.803 -0.084 0.000 0.855 55 Q CB -0.357 28.352 28.738 -0.048 0.000 0.911 55 Q HN 0.428 nan 8.270 nan 0.000 0.438 56 V N -0.094 119.785 119.914 -0.060 0.000 2.469 56 V HA -0.271 3.848 4.120 -0.001 0.000 0.251 56 V C 1.688 177.770 176.094 -0.020 0.000 1.064 56 V CA 2.504 64.816 62.300 0.019 0.000 1.066 56 V CB -0.604 31.229 31.823 0.016 0.000 0.667 56 V HN 0.554 nan 8.190 nan 0.000 0.461 57 T N -0.331 114.171 114.554 -0.088 0.000 2.777 57 T HA -0.176 4.173 4.350 -0.001 0.000 0.266 57 T C 1.873 176.505 174.700 -0.113 0.000 1.040 57 T CA 1.805 63.842 62.100 -0.106 0.000 1.141 57 T CB -0.194 68.608 68.868 -0.109 0.000 0.868 57 T HN 0.511 nan 8.240 nan 0.000 0.444 58 K N 0.678 121.027 120.400 -0.085 0.000 2.103 58 K HA -0.066 4.253 4.320 -0.001 0.000 0.204 58 K C 2.012 178.554 176.600 -0.097 0.000 1.052 58 K CA 1.123 57.366 56.287 -0.073 0.000 0.945 58 K CB -0.045 32.433 32.500 -0.038 0.000 0.722 58 K HN 0.241 nan 8.250 nan 0.000 0.443 59 D N 0.832 121.180 120.400 -0.086 0.000 2.144 59 D HA -0.130 4.509 4.640 -0.001 0.000 0.199 59 D C 1.812 177.876 176.300 -0.393 0.000 0.984 59 D CA 1.159 55.109 54.000 -0.083 0.000 0.834 59 D CB -0.095 40.783 40.800 0.129 0.000 0.955 59 D HN 0.183 nan 8.370 nan 0.000 0.465 60 A N 1.263 123.707 122.820 -0.626 0.000 1.873 60 A HA -0.034 4.285 4.320 -0.001 0.000 0.215 60 A C 2.358 179.673 177.584 -0.448 0.000 1.186 60 A CA 2.185 53.656 52.037 -0.944 0.000 0.616 60 A CB -0.768 17.868 19.000 -0.607 0.000 0.823 60 A HN 0.227 nan 8.150 nan 0.000 0.442 61 A N -0.447 122.215 122.820 -0.263 0.000 1.883 61 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 61 A C 1.961 179.465 177.584 -0.132 0.000 1.186 61 A CA 2.237 54.180 52.037 -0.157 0.000 0.624 61 A CB -0.558 18.381 19.000 -0.103 0.000 0.822 61 A HN 0.478 nan 8.150 nan 0.000 0.444 62 E N -0.263 119.859 120.200 -0.130 0.000 2.153 62 E HA -0.020 4.329 4.350 -0.001 0.000 0.194 62 E C 2.104 178.646 176.600 -0.097 0.000 0.988 62 E CA 1.233 57.578 56.400 -0.091 0.000 0.811 62 E CB -0.416 29.247 29.700 -0.062 0.000 0.746 62 E HN 0.537 nan 8.360 nan 0.000 0.466 63 A N 0.222 122.964 122.820 -0.130 0.000 1.969 63 A HA -0.132 4.187 4.320 -0.001 0.000 0.218 63 A C 2.196 179.778 177.584 -0.003 0.000 1.169 63 A CA 1.143 53.160 52.037 -0.035 0.000 0.635 63 A CB -0.560 18.421 19.000 -0.032 0.000 0.810 63 A HN 0.285 nan 8.150 nan 0.000 0.445 64 I N -0.637 119.897 120.570 -0.060 0.000 2.315 64 I HA -0.245 3.924 4.170 -0.001 0.000 0.248 64 I C 2.370 178.466 176.117 -0.035 0.000 1.117 64 I CA 1.318 62.602 61.300 -0.027 0.000 1.404 64 I CB -0.284 37.682 38.000 -0.056 0.000 1.071 64 I HN 0.294 nan 8.210 nan 0.000 0.419 65 K N 0.865 121.227 120.400 -0.062 0.000 2.097 65 K HA -0.224 4.095 4.320 -0.001 0.000 0.206 65 K C 2.190 178.734 176.600 -0.093 0.000 1.049 65 K CA 1.324 57.573 56.287 -0.062 0.000 0.933 65 K CB -0.104 32.360 32.500 -0.061 0.000 0.717 65 K HN 0.231 nan 8.250 nan 0.000 0.442 66 K N 0.181 120.481 120.400 -0.167 0.000 2.044 66 K HA -0.105 4.214 4.320 -0.001 0.000 0.204 66 K C 1.711 178.084 176.600 -0.378 0.000 1.049 66 K CA 1.113 57.213 56.287 -0.311 0.000 0.945 66 K CB 0.140 32.353 32.500 -0.478 0.000 0.724 66 K HN 0.246 nan 8.250 nan 0.000 0.440 67 H N 0.137 119.163 119.070 -0.072 0.000 2.563 67 H HA 0.143 4.699 4.556 -0.001 0.000 0.264 67 H C 0.339 175.659 175.328 -0.013 0.000 0.957 67 H CA 0.478 56.487 56.048 -0.064 0.000 1.173 67 H CB 0.518 30.205 29.762 -0.125 0.000 1.420 67 H HN 0.351 nan 8.280 nan 0.000 0.551 68 N N -0.149 118.592 118.700 0.070 0.000 2.936 68 N HA -0.177 4.562 4.740 -0.001 0.000 0.236 68 N C -0.002 175.571 175.510 0.105 0.000 0.930 68 N CA 1.022 54.119 53.050 0.077 0.000 0.966 68 N CB -1.058 37.485 38.487 0.093 0.000 1.090 68 N HN 0.282 nan 8.380 nan 0.000 0.592 69 V N -0.524 119.452 119.914 0.102 0.000 2.777 69 V HA 0.836 4.956 4.120 -0.001 0.000 0.306 69 V C -0.373 175.745 176.094 0.039 0.000 1.112 69 V CA 0.214 62.565 62.300 0.085 0.000 0.917 69 V CB 1.643 33.543 31.823 0.129 0.000 1.018 69 V HN 0.291 nan 8.190 nan 0.000 0.426 70 G N 4.263 113.060 108.800 -0.004 0.000 2.612 70 G HA2 0.725 4.684 3.960 -0.001 0.000 0.298 70 G HA3 0.725 4.684 3.960 -0.001 0.000 0.298 70 G C -1.214 173.638 174.900 -0.080 0.000 1.336 70 G CA -0.159 44.920 45.100 -0.035 0.000 0.953 70 G HN 1.688 nan 8.290 nan 0.000 0.482 71 V N -1.274 118.567 119.914 -0.122 0.000 2.525 71 V HA 0.833 4.952 4.120 -0.001 0.000 0.299 71 V C -0.613 175.457 176.094 -0.039 0.000 1.034 71 V CA -1.191 61.010 62.300 -0.164 0.000 0.863 71 V CB 1.434 32.923 31.823 -0.557 0.000 0.999 71 V HN 0.849 nan 8.190 nan 0.000 0.423 72 K N 3.615 123.981 120.400 -0.056 0.000 2.316 72 K HA 0.702 5.021 4.320 -0.001 0.000 0.251 72 K C -0.908 175.419 176.600 -0.454 0.000 0.934 72 K CA -0.483 55.659 56.287 -0.242 0.000 0.802 72 K CB 2.095 34.481 32.500 -0.189 0.000 1.171 72 K HN 1.006 nan 8.250 nan 0.000 0.426 73 C N 3.269 122.016 119.300 -0.922 0.000 2.405 73 C HA 0.682 5.141 4.460 -0.001 0.000 0.365 73 C C 0.610 175.354 174.990 -0.410 0.000 1.233 73 C CA -0.449 58.036 59.018 -0.888 0.000 2.230 73 C CB -0.120 26.791 27.740 -1.381 0.000 2.443 73 C HN 0.912 nan 8.230 nan 0.000 0.556 74 A N 4.358 127.035 122.820 -0.237 0.000 2.520 74 A HA 0.502 4.821 4.320 -0.001 0.000 0.235 74 A C 0.589 178.077 177.584 -0.159 0.000 1.065 74 A CA 0.858 52.801 52.037 -0.156 0.000 0.764 74 A CB -0.076 18.890 19.000 -0.056 0.000 1.002 74 A HN 1.264 nan 8.150 nan 0.000 0.502 75 T N -0.408 114.069 114.554 -0.129 0.000 2.901 75 T HA 0.675 5.025 4.350 -0.001 0.000 0.293 75 T C -0.258 174.392 174.700 -0.084 0.000 1.084 75 T CA -0.657 61.368 62.100 -0.125 0.000 1.008 75 T CB 0.883 69.671 68.868 -0.133 0.000 1.170 75 T HN 0.435 nan 8.240 nan 0.000 0.509 76 I N 1.626 122.141 120.570 -0.092 0.000 2.428 76 I HA 0.306 4.475 4.170 -0.001 0.000 0.289 76 I C 0.184 176.282 176.117 -0.033 0.000 1.019 76 I CA -0.413 60.852 61.300 -0.058 0.000 1.351 76 I CB 1.389 39.335 38.000 -0.089 0.000 1.412 76 I HN 0.688 nan 8.210 nan 0.000 0.513 77 T N 7.206 121.762 114.554 0.003 0.000 2.821 77 T HA 0.330 4.679 4.350 -0.001 0.000 0.307 77 T C -2.329 172.397 174.700 0.043 0.000 1.034 77 T CA -1.227 60.890 62.100 0.028 0.000 0.953 77 T CB 0.941 69.826 68.868 0.029 0.000 0.968 77 T HN 0.293 nan 8.240 nan 0.000 0.462 78 P HA 0.208 nan 4.420 nan 0.000 0.267 78 P C -0.499 176.824 177.300 0.039 0.000 1.205 78 P CA -0.246 62.894 63.100 0.067 0.000 0.765 78 P CB 0.569 32.321 31.700 0.087 0.000 0.828 79 D N 0.917 121.343 120.400 0.042 0.000 2.687 79 D HA 0.169 4.809 4.640 -0.001 0.000 0.264 79 D C 0.711 177.025 176.300 0.023 0.000 1.091 79 D CA -0.614 53.398 54.000 0.020 0.000 1.123 79 D CB 0.417 41.230 40.800 0.022 0.000 1.407 79 D HN 0.058 nan 8.370 nan 0.000 0.591 80 E N 0.002 120.207 120.200 0.009 0.000 2.070 80 E HA -0.216 4.133 4.350 -0.001 0.000 0.197 80 E C 1.764 178.382 176.600 0.030 0.000 1.004 80 E CA 1.785 58.191 56.400 0.009 0.000 0.805 80 E CB -0.141 29.559 29.700 0.001 0.000 0.744 80 E HN 0.529 nan 8.360 nan 0.000 0.451 81 K N 0.227 120.650 120.400 0.038 0.000 2.097 81 K HA -0.146 4.173 4.320 -0.001 0.000 0.206 81 K C 1.934 178.584 176.600 0.083 0.000 1.049 81 K CA 0.945 57.261 56.287 0.048 0.000 0.933 81 K CB 0.169 32.696 32.500 0.045 0.000 0.717 81 K HN -0.064 nan 8.250 nan 0.000 0.442 82 R N 0.240 120.813 120.500 0.122 0.000 2.090 82 R HA -0.036 4.303 4.340 -0.001 0.000 0.228 82 R C 2.266 178.721 176.300 0.259 0.000 1.110 82 R CA 0.722 56.963 56.100 0.235 0.000 0.973 82 R CB -0.728 29.706 30.300 0.223 0.000 0.869 82 R HN 0.106 nan 8.270 nan 0.000 0.440 83 V N 1.403 121.400 119.914 0.138 0.000 2.343 83 V HA -0.226 3.893 4.120 -0.001 0.000 0.247 83 V C 2.429 178.587 176.094 0.107 0.000 1.051 83 V CA 2.005 64.368 62.300 0.104 0.000 1.036 83 V CB -0.424 31.409 31.823 0.017 0.000 0.654 83 V HN 0.402 nan 8.190 nan 0.000 0.451 84 E N -0.190 120.054 120.200 0.074 0.000 2.152 84 E HA -0.238 4.111 4.350 -0.001 0.000 0.192 84 E C 2.228 178.842 176.600 0.024 0.000 0.983 84 E CA 1.147 57.572 56.400 0.043 0.000 0.818 84 E CB -0.027 29.687 29.700 0.022 0.000 0.758 84 E HN 0.716 nan 8.360 nan 0.000 0.467 85 E N -0.609 119.602 120.200 0.019 0.000 2.047 85 E HA -0.151 4.198 4.350 -0.001 0.000 0.191 85 E C 0.978 177.413 176.600 -0.275 0.000 0.987 85 E CA 1.050 57.355 56.400 -0.158 0.000 0.799 85 E CB 0.012 29.570 29.700 -0.238 0.000 0.752 85 E HN 0.313 nan 8.360 nan 0.000 0.449 86 F N 0.270 120.258 119.950 0.064 0.000 2.695 86 F HA 0.260 4.787 4.527 -0.001 0.000 0.303 86 F C 0.042 175.884 175.800 0.070 0.000 1.091 86 F CA -0.296 57.748 58.000 0.073 0.000 1.300 86 F CB 0.736 39.789 39.000 0.088 0.000 1.071 86 F HN -0.238 nan 8.300 nan 0.000 0.578 87 K N 1.502 122.017 120.400 0.191 0.000 3.393 87 K HA -0.175 4.144 4.320 -0.001 0.000 0.272 87 K C -0.482 176.211 176.600 0.155 0.000 1.004 87 K CA 0.337 56.703 56.287 0.132 0.000 0.764 87 K CB -2.064 30.497 32.500 0.100 0.000 1.373 87 K HN 0.386 nan 8.250 nan 0.000 0.458 88 L N 0.478 121.800 121.223 0.165 0.000 2.436 88 L HA 0.122 4.462 4.340 -0.001 0.000 0.265 88 L C 1.992 178.898 176.870 0.059 0.000 1.168 88 L CA -0.269 54.670 54.840 0.164 0.000 0.815 88 L CB 0.407 42.558 42.059 0.153 0.000 1.109 88 L HN 0.151 nan 8.230 nan 0.000 0.462 89 K N 0.578 121.032 120.400 0.090 0.000 2.103 89 K HA -0.014 4.306 4.320 -0.001 0.000 0.204 89 K C 0.068 176.509 176.600 -0.265 0.000 1.052 89 K CA 1.053 57.335 56.287 -0.008 0.000 0.945 89 K CB 0.112 32.702 32.500 0.151 0.000 0.722 89 K HN 0.562 nan 8.250 nan 0.000 0.443 90 Q N -0.811 118.587 119.800 -0.670 0.000 2.615 90 Q HA 0.344 4.684 4.340 -0.001 0.000 0.298 90 Q C -1.078 174.378 176.000 -0.907 0.000 1.023 90 Q CA -0.654 54.629 55.803 -0.866 0.000 0.768 90 Q CB 1.802 29.802 28.738 -1.230 0.000 1.500 90 Q HN -0.028 nan 8.270 nan 0.000 0.441 91 M N 1.954 121.221 119.600 -0.555 0.000 3.213 91 M HA 0.208 4.687 4.480 -0.001 0.000 0.275 91 M C -1.357 174.789 176.300 -0.257 0.000 1.424 91 M CA -0.115 54.999 55.300 -0.310 0.000 1.561 91 M CB 0.074 32.580 32.600 -0.156 0.000 1.109 91 M HN 0.432 nan 8.290 nan 0.000 0.552 92 W N 3.291 124.587 121.300 -0.007 0.000 2.274 92 W HA -0.008 4.651 4.660 -0.002 0.000 0.345 92 W C 0.581 177.090 176.519 -0.016 0.000 1.265 92 W CA -0.332 57.005 57.345 -0.014 0.000 1.293 92 W CB 0.190 29.634 29.460 -0.027 0.000 1.175 92 W HN 0.353 nan 8.180 nan 0.000 0.577 93 K N 1.527 122.082 120.400 0.259 0.000 2.168 93 K HA 0.182 4.501 4.320 -0.001 0.000 0.258 93 K C 0.401 177.066 176.600 0.108 0.000 1.010 93 K CA -0.728 55.639 56.287 0.134 0.000 0.929 93 K CB 0.936 33.500 32.500 0.108 0.000 0.998 93 K HN 0.396 nan 8.250 nan 0.000 0.479 94 S N 2.472 118.213 115.700 0.068 0.000 2.544 94 S HA 0.023 4.492 4.470 -0.001 0.000 0.290 94 S C -1.327 173.287 174.600 0.024 0.000 1.276 94 S CA -1.225 57.002 58.200 0.046 0.000 1.075 94 S CB 0.355 63.590 63.200 0.059 0.000 0.849 94 S HN 0.397 nan 8.310 nan 0.000 0.494 95 P HA -0.062 nan 4.420 nan 0.000 0.223 95 P C 0.773 178.046 177.300 -0.046 0.000 1.151 95 P CA 0.798 63.875 63.100 -0.039 0.000 0.787 95 P CB 0.045 31.702 31.700 -0.072 0.000 0.788 96 N N 0.421 119.096 118.700 -0.042 0.000 2.216 96 N HA -0.079 4.661 4.740 -0.001 0.000 0.183 96 N C 2.170 177.654 175.510 -0.044 0.000 1.017 96 N CA 1.588 54.604 53.050 -0.057 0.000 0.861 96 N CB -1.024 37.425 38.487 -0.064 0.000 0.986 96 N HN 0.199 nan 8.380 nan 0.000 0.428 97 G N 0.538 109.338 108.800 -0.001 0.000 2.418 97 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.217 97 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.217 97 G C 1.611 176.512 174.900 0.002 0.000 1.158 97 G CA 1.289 46.399 45.100 0.017 0.000 0.771 97 G HN 0.247 nan 8.290 nan 0.000 0.545 98 T N 1.372 115.927 114.554 0.003 0.000 2.708 98 T HA -0.054 4.295 4.350 -0.001 0.000 0.266 98 T C 2.400 177.093 174.700 -0.012 0.000 1.037 98 T CA 1.069 63.170 62.100 0.002 0.000 1.146 98 T CB -0.171 68.695 68.868 -0.005 0.000 0.865 98 T HN 0.241 nan 8.240 nan 0.000 0.435 99 I N 0.666 121.215 120.570 -0.036 0.000 2.179 99 I HA -0.193 3.976 4.170 -0.001 0.000 0.242 99 I C 2.806 178.904 176.117 -0.032 0.000 1.088 99 I CA 1.431 62.701 61.300 -0.049 0.000 1.357 99 I CB -0.332 37.624 38.000 -0.073 0.000 1.051 99 I HN 0.122 nan 8.210 nan 0.000 0.409 100 R N 0.525 121.003 120.500 -0.037 0.000 2.096 100 R HA -0.171 4.169 4.340 -0.001 0.000 0.235 100 R C 2.219 178.542 176.300 0.038 0.000 1.127 100 R CA 1.483 57.566 56.100 -0.030 0.000 0.968 100 R CB -0.565 29.686 30.300 -0.082 0.000 0.861 100 R HN 0.449 nan 8.270 nan 0.000 0.440 101 N N 1.201 119.932 118.700 0.052 0.000 2.223 101 N HA -0.138 4.601 4.740 -0.001 0.000 0.185 101 N C 1.614 177.228 175.510 0.173 0.000 1.016 101 N CA 1.179 54.320 53.050 0.152 0.000 0.863 101 N CB 0.133 38.661 38.487 0.067 0.000 0.983 101 N HN 0.235 nan 8.380 nan 0.000 0.429 102 I N 0.065 120.682 120.570 0.079 0.000 2.400 102 I HA -0.175 3.994 4.170 -0.001 0.000 0.248 102 I C 1.701 177.835 176.117 0.028 0.000 1.109 102 I CA 0.407 61.738 61.300 0.050 0.000 1.425 102 I CB 0.059 38.066 38.000 0.012 0.000 1.094 102 I HN 0.078 nan 8.210 nan 0.000 0.425 103 L N 0.292 121.523 121.223 0.013 0.000 2.127 103 L HA 0.260 4.600 4.340 -0.001 0.000 0.203 103 L C 1.219 178.088 176.870 -0.001 0.000 1.080 103 L CA 1.168 56.005 54.840 -0.005 0.000 0.768 103 L CB -1.322 40.724 42.059 -0.021 0.000 0.924 103 L HN 0.356 nan 8.230 nan 0.000 0.444 104 G N -1.574 107.237 108.800 0.019 0.000 2.846 104 G HA2 0.319 4.278 3.960 -0.001 0.000 0.660 104 G HA3 0.319 4.278 3.960 -0.001 0.000 0.660 104 G C 0.255 175.158 174.900 0.006 0.000 1.464 104 G CA -0.263 44.842 45.100 0.008 0.000 0.891 104 G HN 1.054 nan 8.290 nan 0.000 0.552 105 G N -1.938 106.880 108.800 0.030 0.000 2.306 105 G HA2 0.567 4.526 3.960 -0.001 0.000 0.262 105 G HA3 0.567 4.526 3.960 -0.001 0.000 0.262 105 G C -0.384 174.538 174.900 0.038 0.000 1.263 105 G CA 0.472 45.598 45.100 0.043 0.000 1.088 105 G HN 2.150 nan 8.290 nan 0.000 0.489 106 T N -0.014 114.528 114.554 -0.020 0.000 2.861 106 T HA 0.589 4.938 4.350 -0.001 0.000 0.287 106 T C -0.336 174.183 174.700 -0.302 0.000 1.003 106 T CA -0.332 61.661 62.100 -0.179 0.000 0.977 106 T CB 1.986 70.695 68.868 -0.266 0.000 0.996 106 T HN 1.023 nan 8.240 nan 0.000 0.448 107 V N 4.011 123.722 119.914 -0.338 0.000 2.333 107 V HA 0.403 4.523 4.120 -0.001 0.000 0.274 107 V C -0.711 175.195 176.094 -0.314 0.000 1.028 107 V CA -0.689 61.462 62.300 -0.248 0.000 0.851 107 V CB -0.202 31.505 31.823 -0.193 0.000 1.000 107 V HN 0.748 nan 8.190 nan 0.000 0.456 108 F N 5.337 125.277 119.950 -0.018 0.000 2.404 108 F HA 0.557 5.083 4.527 -0.001 0.000 0.358 108 F C 0.932 176.714 175.800 -0.031 0.000 1.120 108 F CA -0.366 57.627 58.000 -0.012 0.000 1.144 108 F CB 0.799 39.797 39.000 -0.005 0.000 1.133 108 F HN 0.324 nan 8.300 nan 0.000 0.495 109 R N 3.047 123.614 120.500 0.111 0.000 2.562 109 R HA 0.581 4.920 4.340 -0.001 0.000 0.298 109 R C -0.909 175.411 176.300 0.032 0.000 0.961 109 R CA -0.817 55.305 56.100 0.036 0.000 0.881 109 R CB 2.649 32.930 30.300 -0.032 0.000 1.159 109 R HN 0.684 nan 8.270 nan 0.000 0.450 110 E N 1.095 121.293 120.200 -0.004 0.000 2.372 110 E HA 0.489 4.838 4.350 -0.001 0.000 0.279 110 E C -1.379 175.150 176.600 -0.118 0.000 0.946 110 E CA -0.648 55.718 56.400 -0.057 0.000 0.769 110 E CB 2.379 32.059 29.700 -0.033 0.000 1.230 110 E HN 0.692 nan 8.360 nan 0.000 0.442 111 A N 3.323 126.002 122.820 -0.236 0.000 2.366 111 A HA 0.465 4.784 4.320 -0.001 0.000 0.249 111 A C -0.177 177.253 177.584 -0.256 0.000 1.084 111 A CA -0.189 51.682 52.037 -0.275 0.000 0.794 111 A CB 0.232 18.910 19.000 -0.538 0.000 1.034 111 A HN 0.547 nan 8.150 nan 0.000 0.491 112 I N 2.709 123.141 120.570 -0.230 0.000 2.328 112 I HA 0.216 4.386 4.170 -0.001 0.000 0.287 112 I C -0.655 175.363 176.117 -0.165 0.000 1.012 112 I CA -0.347 60.798 61.300 -0.257 0.000 1.195 112 I CB 0.902 38.627 38.000 -0.458 0.000 1.350 112 I HN 0.369 nan 8.210 nan 0.000 0.464 113 I N 5.540 126.040 120.570 -0.116 0.000 2.392 113 I HA 0.319 4.488 4.170 -0.001 0.000 0.295 113 I C -0.126 175.991 176.117 -0.000 0.000 0.985 113 I CA -0.460 60.813 61.300 -0.045 0.000 1.221 113 I CB 1.454 39.434 38.000 -0.033 0.000 1.366 113 I HN 0.535 nan 8.210 nan 0.000 0.467 114 C N 5.479 124.794 119.300 0.026 0.000 2.408 114 C HA 0.301 4.760 4.460 -0.001 0.000 0.321 114 C C 1.704 176.724 174.990 0.049 0.000 1.245 114 C CA -0.853 58.190 59.018 0.041 0.000 1.523 114 C CB 1.803 29.570 27.740 0.045 0.000 2.178 114 C HN 0.805 nan 8.230 nan 0.000 0.488 115 K N 1.839 122.268 120.400 0.049 0.000 2.211 115 K HA -0.140 4.180 4.320 -0.001 0.000 0.204 115 K C 1.393 178.019 176.600 0.043 0.000 1.047 115 K CA 1.449 57.764 56.287 0.047 0.000 0.935 115 K CB 0.024 32.550 32.500 0.043 0.000 0.728 115 K HN 0.752 nan 8.250 nan 0.000 0.452 116 N N 0.673 119.397 118.700 0.041 0.000 2.322 116 N HA -0.033 4.706 4.740 -0.001 0.000 0.194 116 N C -0.177 175.350 175.510 0.028 0.000 1.126 116 N CA 0.246 53.316 53.050 0.032 0.000 0.845 116 N CB 0.329 38.834 38.487 0.030 0.000 0.976 116 N HN -0.001 nan 8.380 nan 0.000 0.475 117 I N 2.262 122.853 120.570 0.036 0.000 2.328 117 I HA 0.397 4.567 4.170 -0.001 0.000 0.287 117 I C -2.273 173.866 176.117 0.037 0.000 1.012 117 I CA -2.435 58.885 61.300 0.032 0.000 1.195 117 I CB 0.830 38.852 38.000 0.037 0.000 1.350 117 I HN -0.239 nan 8.210 nan 0.000 0.464 118 P HA 0.303 nan 4.420 nan 0.000 0.271 118 P C -0.191 177.111 177.300 0.003 0.000 1.218 118 P CA -0.281 62.824 63.100 0.007 0.000 0.780 118 P CB 0.732 32.426 31.700 -0.009 0.000 0.901 119 R N 1.316 121.806 120.500 -0.016 0.000 2.549 119 R HA 0.395 4.734 4.340 -0.001 0.000 0.267 119 R C 1.161 177.388 176.300 -0.123 0.000 1.045 119 R CA -0.779 55.288 56.100 -0.055 0.000 1.115 119 R CB 0.520 30.762 30.300 -0.098 0.000 1.121 119 R HN 0.418 nan 8.270 nan 0.000 0.543 120 L N 0.569 121.687 121.223 -0.175 0.000 2.307 120 L HA 0.115 4.454 4.340 -0.001 0.000 0.211 120 L C 0.214 176.898 176.870 -0.310 0.000 1.099 120 L CA 0.457 55.180 54.840 -0.195 0.000 0.816 120 L CB 0.421 42.382 42.059 -0.163 0.000 0.952 120 L HN 0.245 nan 8.230 nan 0.000 0.455 121 V N 0.364 119.969 119.914 -0.514 0.000 2.350 121 V HA 0.065 4.184 4.120 -0.001 0.000 0.276 121 V C 1.284 177.031 176.094 -0.579 0.000 1.028 121 V CA 0.116 61.963 62.300 -0.755 0.000 0.860 121 V CB 1.371 32.194 31.823 -1.667 0.000 0.990 121 V HN 0.317 nan 8.190 nan 0.000 0.453 122 S N 4.056 119.532 115.700 -0.373 0.000 2.370 122 S HA -0.120 4.349 4.470 -0.001 0.000 0.226 122 S C 1.834 176.337 174.600 -0.162 0.000 1.033 122 S CA 1.388 59.456 58.200 -0.220 0.000 1.011 122 S CB -0.388 62.722 63.200 -0.149 0.000 0.852 122 S HN 0.889 nan 8.310 nan 0.000 0.457 123 G N -0.439 108.254 108.800 -0.178 0.000 2.880 123 G HA2 0.083 4.042 3.960 -0.001 0.000 0.209 123 G HA3 0.083 4.042 3.960 -0.001 0.000 0.209 123 G C -0.070 174.930 174.900 0.167 0.000 1.157 123 G CA -0.509 44.587 45.100 -0.006 0.000 0.779 123 G HN 0.497 nan 8.290 nan 0.000 0.539 124 W N 2.527 123.768 121.300 -0.098 0.000 1.839 124 W HA 0.329 4.988 4.660 -0.001 0.000 0.489 124 W C 1.188 177.721 176.519 0.024 0.000 0.789 124 W CA -1.298 55.992 57.345 -0.091 0.000 1.900 124 W CB -0.875 28.370 29.460 -0.358 0.000 1.773 124 W HN 0.044 nan 8.180 nan 0.000 0.251 125 V N -0.680 119.363 119.914 0.216 0.000 3.406 125 V HA 0.135 4.254 4.120 -0.001 0.000 0.263 125 V C 0.731 176.899 176.094 0.123 0.000 1.172 125 V CA 0.629 63.020 62.300 0.152 0.000 1.140 125 V CB -0.445 31.433 31.823 0.092 0.000 0.784 125 V HN 0.071 nan 8.190 nan 0.000 0.467 126 K N 0.641 121.091 120.400 0.083 0.000 2.340 126 K HA 0.594 4.914 4.320 -0.001 0.000 0.244 126 K C -2.919 173.640 176.600 -0.067 0.000 0.973 126 K CA -2.266 53.995 56.287 -0.043 0.000 0.828 126 K CB 1.955 34.324 32.500 -0.219 0.000 1.226 126 K HN -0.006 nan 8.250 nan 0.000 0.437 127 P HA 0.142 nan 4.420 nan 0.000 0.271 127 P C -0.818 176.290 177.300 -0.320 0.000 1.218 127 P CA 0.028 63.032 63.100 -0.159 0.000 0.780 127 P CB 0.498 32.223 31.700 0.042 0.000 0.901 128 I N 3.663 124.055 120.570 -0.297 0.000 2.362 128 I HA 0.357 4.526 4.170 -0.001 0.000 0.289 128 I C -0.027 175.987 176.117 -0.172 0.000 0.994 128 I CA -0.519 60.501 61.300 -0.466 0.000 1.158 128 I CB 0.981 38.639 38.000 -0.571 0.000 1.315 128 I HN 0.117 nan 8.210 nan 0.000 0.451 129 I N 7.331 127.879 120.570 -0.038 0.000 2.362 129 I HA 0.408 4.577 4.170 -0.001 0.000 0.289 129 I C -0.226 176.011 176.117 0.200 0.000 0.994 129 I CA -0.493 60.876 61.300 0.115 0.000 1.158 129 I CB 1.612 39.725 38.000 0.188 0.000 1.315 129 I HN 0.380 nan 8.210 nan 0.000 0.451 130 I N 5.137 125.796 120.570 0.148 0.000 2.336 130 I HA 0.346 4.515 4.170 -0.001 0.000 0.292 130 I C 0.674 176.844 176.117 0.088 0.000 0.991 130 I CA -0.263 61.091 61.300 0.089 0.000 1.227 130 I CB 1.619 39.544 38.000 -0.125 0.000 1.366 130 I HN 0.640 nan 8.210 nan 0.000 0.466 131 G N 6.287 115.132 108.800 0.076 0.000 2.655 131 G HA2 0.324 4.284 3.960 -0.001 0.000 0.334 131 G HA3 0.324 4.284 3.960 -0.001 0.000 0.334 131 G C -0.299 174.558 174.900 -0.072 0.000 1.099 131 G CA -0.559 44.446 45.100 -0.159 0.000 1.075 131 G HN 0.614 nan 8.290 nan 0.000 0.463 132 R N 2.374 122.733 120.500 -0.234 0.000 2.216 132 R HA 0.153 4.492 4.340 -0.001 0.000 0.332 132 R C -0.246 175.866 176.300 -0.313 0.000 1.056 132 R CA -0.655 55.300 56.100 -0.243 0.000 0.901 132 R CB 0.177 30.310 30.300 -0.277 0.000 1.039 132 R HN 0.695 nan 8.270 nan 0.000 0.456 133 H N 3.370 122.025 119.070 -0.692 0.000 3.145 133 H HA -0.007 4.548 4.556 -0.001 0.000 0.288 133 H C 0.395 175.442 175.328 -0.468 0.000 0.969 133 H CA 0.313 55.794 56.048 -0.944 0.000 1.444 133 H CB 1.021 29.968 29.762 -1.360 0.000 1.500 133 H HN 0.815 nan 8.280 nan 0.000 0.552 134 A N 5.524 128.180 122.820 -0.274 0.000 2.278 134 A HA 0.001 4.320 4.320 -0.001 0.000 0.212 134 A C -0.255 177.167 177.584 -0.270 0.000 1.213 134 A CA 0.040 51.907 52.037 -0.283 0.000 0.840 134 A CB -0.157 18.746 19.000 -0.163 0.000 0.866 134 A HN 0.694 nan 8.150 nan 0.000 0.489 135 Y N -0.901 119.008 120.300 -0.653 0.000 2.485 135 Y HA 0.485 5.034 4.550 -0.002 0.000 0.345 135 Y C 0.812 176.427 175.900 -0.476 0.000 0.998 135 Y CA -0.000 57.806 58.100 -0.489 0.000 1.059 135 Y CB 1.210 39.467 38.460 -0.338 0.000 1.234 135 Y HN 0.680 nan 8.280 nan 0.000 0.461 136 G N 3.659 111.893 108.800 -0.944 0.000 2.601 136 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.252 136 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.252 136 G C -0.291 174.428 174.900 -0.301 0.000 1.294 136 G CA 0.187 44.826 45.100 -0.769 0.000 0.912 136 G HN 1.089 nan 8.290 nan 0.000 0.574 137 D N -2.476 117.784 120.400 -0.234 0.000 3.497 137 D HA -0.196 4.443 4.640 -0.001 0.000 0.178 137 D C 1.730 177.980 176.300 -0.084 0.000 1.185 137 D CA 2.006 55.986 54.000 -0.032 0.000 1.091 137 D CB -1.221 39.627 40.800 0.080 0.000 0.574 137 D HN 0.836 nan 8.370 nan 0.000 0.650 138 Q N -1.054 118.690 119.800 -0.093 0.000 2.364 138 Q HA -0.068 4.271 4.340 -0.001 0.000 0.209 138 Q C 1.337 177.089 176.000 -0.413 0.000 0.977 138 Q CA 1.205 56.831 55.803 -0.295 0.000 0.885 138 Q CB -0.183 28.285 28.738 -0.450 0.000 0.941 138 Q HN 0.513 nan 8.270 nan 0.000 0.464 139 Y N -1.218 119.007 120.300 -0.125 0.000 2.462 139 Y HA 0.247 4.796 4.550 -0.001 0.000 0.293 139 Y C 0.796 176.618 175.900 -0.129 0.000 1.195 139 Y CA 0.117 58.148 58.100 -0.115 0.000 1.276 139 Y CB 0.476 38.858 38.460 -0.130 0.000 1.082 139 Y HN -0.143 nan 8.280 nan 0.000 0.514 140 R N -0.023 120.443 120.500 -0.057 0.000 2.490 140 R HA 0.490 4.829 4.340 -0.001 0.000 0.410 140 R C -0.557 175.772 176.300 0.048 0.000 0.876 140 R CA 0.024 56.109 56.100 -0.024 0.000 1.061 140 R CB -0.344 29.883 30.300 -0.121 0.000 1.553 140 R HN 0.093 nan 8.270 nan 0.000 0.593 141 A N -0.605 122.216 122.820 0.002 0.000 2.239 141 A HA 0.764 5.083 4.320 -0.001 0.000 0.303 141 A C -0.550 177.072 177.584 0.063 0.000 1.114 141 A CA -0.256 51.805 52.037 0.040 0.000 0.871 141 A CB 0.756 19.731 19.000 -0.043 0.000 1.201 141 A HN 0.200 nan 8.150 nan 0.000 0.506 142 T N 1.762 116.366 114.554 0.084 0.000 2.847 142 T HA 0.531 4.880 4.350 -0.001 0.000 0.291 142 T C -1.498 173.268 174.700 0.111 0.000 0.998 142 T CA -0.600 61.567 62.100 0.112 0.000 0.967 142 T CB 0.745 69.705 68.868 0.154 0.000 0.954 142 T HN 0.732 nan 8.240 nan 0.000 0.441 143 D N 2.353 122.803 120.400 0.084 0.000 2.671 143 D HA 0.665 5.304 4.640 -0.001 0.000 0.232 143 D C -0.734 175.617 176.300 0.086 0.000 1.114 143 D CA -0.722 53.268 54.000 -0.016 0.000 0.858 143 D CB 1.959 42.698 40.800 -0.103 0.000 1.544 143 D HN 0.459 nan 8.370 nan 0.000 0.471 144 F N -1.391 118.545 119.950 -0.024 0.000 2.685 144 F HA 0.656 5.183 4.527 -0.001 0.000 0.315 144 F C -1.444 174.330 175.800 -0.043 0.000 1.126 144 F CA -1.338 56.642 58.000 -0.033 0.000 0.950 144 F CB 0.974 39.954 39.000 -0.032 0.000 1.360 144 F HN 0.125 nan 8.300 nan 0.000 0.469 145 V N 2.067 122.072 119.914 0.152 0.000 2.509 145 V HA 0.430 4.549 4.120 -0.001 0.000 0.284 145 V C -0.325 175.837 176.094 0.114 0.000 1.047 145 V CA -0.842 61.482 62.300 0.039 0.000 0.952 145 V CB 1.478 33.314 31.823 0.023 0.000 0.988 145 V HN 0.667 nan 8.190 nan 0.000 0.469 146 V N 8.103 127.985 119.914 -0.053 0.000 2.334 146 V HA 0.214 4.333 4.120 -0.001 0.000 0.267 146 V C -0.859 175.141 176.094 -0.156 0.000 1.040 146 V CA -0.944 61.255 62.300 -0.168 0.000 0.866 146 V CB 1.360 32.791 31.823 -0.652 0.000 1.019 146 V HN 0.845 nan 8.190 nan 0.000 0.468 147 P HA 0.035 nan 4.420 nan 0.000 0.220 147 P C 0.649 177.911 177.300 -0.063 0.000 1.148 147 P CA 1.265 64.328 63.100 -0.060 0.000 0.803 147 P CB 0.720 32.397 31.700 -0.040 0.000 0.782 148 G N -1.296 107.448 108.800 -0.094 0.000 2.428 148 G HA2 0.378 4.337 3.960 -0.001 0.000 0.304 148 G HA3 0.378 4.337 3.960 -0.001 0.000 0.304 148 G C -3.334 171.542 174.900 -0.040 0.000 1.303 148 G CA -0.910 44.161 45.100 -0.047 0.000 0.825 148 G HN -0.259 nan 8.290 nan 0.000 0.484 149 P HA 0.423 nan 4.420 nan 0.000 0.263 149 P C 0.471 177.803 177.300 0.054 0.000 1.175 149 P CA 1.600 64.747 63.100 0.079 0.000 0.761 149 P CB 0.923 32.660 31.700 0.060 0.000 0.794 150 G N 1.226 110.091 108.800 0.109 0.000 2.320 150 G HA2 0.259 4.218 3.960 -0.001 0.000 0.297 150 G HA3 0.259 4.218 3.960 -0.001 0.000 0.297 150 G C -1.867 173.130 174.900 0.161 0.000 1.344 150 G CA -0.778 44.371 45.100 0.083 0.000 0.851 150 G HN 0.440 nan 8.290 nan 0.000 0.567 151 K N -0.260 120.211 120.400 0.119 0.000 2.159 151 K HA 0.688 5.007 4.320 -0.001 0.000 0.266 151 K C -0.818 175.891 176.600 0.181 0.000 0.975 151 K CA -0.595 55.778 56.287 0.144 0.000 0.865 151 K CB 1.884 34.433 32.500 0.082 0.000 1.087 151 K HN 0.304 nan 8.250 nan 0.000 0.446 152 V N 4.031 124.102 119.914 0.261 0.000 2.448 152 V HA 0.347 4.466 4.120 -0.001 0.000 0.295 152 V C -0.754 175.478 176.094 0.230 0.000 1.025 152 V CA -0.653 61.820 62.300 0.288 0.000 0.859 152 V CB 1.593 33.676 31.823 0.433 0.000 0.988 152 V HN 0.841 nan 8.190 nan 0.000 0.431 153 E N 3.678 123.995 120.200 0.196 0.000 2.369 153 E HA 0.650 4.999 4.350 -0.001 0.000 0.270 153 E C -1.207 175.505 176.600 0.187 0.000 0.909 153 E CA -0.806 55.700 56.400 0.175 0.000 0.775 153 E CB 3.436 33.212 29.700 0.126 0.000 1.270 153 E HN 0.596 nan 8.360 nan 0.000 0.445 154 I N 1.518 122.216 120.570 0.214 0.000 2.498 154 I HA 0.447 4.616 4.170 -0.001 0.000 0.290 154 I C -1.047 175.223 176.117 0.255 0.000 1.032 154 I CA -0.167 61.272 61.300 0.232 0.000 1.073 154 I CB 1.499 39.645 38.000 0.244 0.000 1.251 154 I HN 0.699 nan 8.210 nan 0.000 0.426 155 T N 3.304 117.977 114.554 0.198 0.000 2.916 155 T HA 0.519 4.868 4.350 -0.001 0.000 0.292 155 T C -1.332 173.510 174.700 0.236 0.000 1.064 155 T CA -0.595 61.599 62.100 0.156 0.000 1.011 155 T CB 1.817 70.727 68.868 0.070 0.000 1.152 155 T HN 0.484 nan 8.240 nan 0.000 0.510 156 Y N 0.514 120.839 120.300 0.042 0.000 2.373 156 Y HA 0.589 5.139 4.550 -0.000 0.000 0.336 156 Y C -1.054 174.856 175.900 0.016 0.000 0.979 156 Y CA -0.848 57.284 58.100 0.053 0.000 1.080 156 Y CB 2.099 40.620 38.460 0.102 0.000 1.190 156 Y HN 0.868 nan 8.280 nan 0.000 0.446 157 T N 9.000 123.305 114.554 -0.417 0.000 2.893 157 T HA 0.379 4.728 4.350 -0.001 0.000 0.324 157 T C -2.731 171.564 174.700 -0.675 0.000 1.082 157 T CA -1.296 60.535 62.100 -0.447 0.000 0.983 157 T CB 0.735 69.489 68.868 -0.189 0.000 1.005 157 T HN 0.410 nan 8.240 nan 0.000 0.475 158 P HA 0.268 nan 4.420 nan 0.000 0.271 158 P C 0.561 177.733 177.300 -0.213 0.000 1.216 158 P CA -0.232 62.550 63.100 -0.530 0.000 0.776 158 P CB 0.686 32.188 31.700 -0.329 0.000 0.881 159 S N 1.053 116.696 115.700 -0.095 0.000 2.481 159 S HA -0.117 4.353 4.470 -0.001 0.000 0.231 159 S C 1.155 175.735 174.600 -0.033 0.000 0.996 159 S CA 1.151 59.324 58.200 -0.045 0.000 0.942 159 S CB -0.645 62.553 63.200 -0.003 0.000 0.768 159 S HN 0.705 nan 8.310 nan 0.000 0.520 160 D N 0.808 121.192 120.400 -0.028 0.000 2.378 160 D HA 0.117 4.757 4.640 -0.001 0.000 0.227 160 D C 1.315 177.599 176.300 -0.027 0.000 1.012 160 D CA 0.787 54.779 54.000 -0.013 0.000 0.905 160 D CB -0.843 39.961 40.800 0.007 0.000 0.895 160 D HN 0.328 nan 8.370 nan 0.000 0.532 161 G N -0.188 108.582 108.800 -0.050 0.000 2.184 161 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.264 161 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.264 161 G C 0.617 175.488 174.900 -0.049 0.000 0.975 161 G CA 0.896 45.967 45.100 -0.048 0.000 0.642 161 G HN 0.806 nan 8.290 nan 0.000 0.536 162 T N -2.107 112.417 114.554 -0.050 0.000 2.732 162 T HA 0.515 4.864 4.350 -0.001 0.000 0.287 162 T C 0.486 175.149 174.700 -0.062 0.000 0.993 162 T CA 0.411 62.487 62.100 -0.040 0.000 0.966 162 T CB 1.155 70.012 68.868 -0.019 0.000 1.047 162 T HN 0.591 nan 8.240 nan 0.000 0.527 163 Q N 1.019 120.791 119.800 -0.047 0.000 2.337 163 Q HA 0.127 4.466 4.340 -0.001 0.000 0.270 163 Q C 0.223 176.176 176.000 -0.079 0.000 1.002 163 Q CA -0.604 55.166 55.803 -0.056 0.000 0.888 163 Q CB 0.450 29.166 28.738 -0.038 0.000 1.222 163 Q HN 0.685 nan 8.270 nan 0.000 0.400 164 K N 1.145 121.488 120.400 -0.095 0.000 2.355 164 K HA 0.205 4.524 4.320 -0.001 0.000 0.270 164 K C -0.986 175.561 176.600 -0.089 0.000 1.003 164 K CA -0.563 55.655 56.287 -0.115 0.000 0.957 164 K CB 0.710 33.149 32.500 -0.102 0.000 0.939 164 K HN 0.275 nan 8.250 nan 0.000 0.482 165 V N 2.610 122.474 119.914 -0.084 0.000 2.435 165 V HA 0.232 4.351 4.120 -0.001 0.000 0.290 165 V C -0.322 175.589 176.094 -0.305 0.000 1.030 165 V CA -0.730 61.456 62.300 -0.191 0.000 0.881 165 V CB 1.605 33.317 31.823 -0.185 0.000 0.983 165 V HN 0.910 nan 8.190 nan 0.000 0.445 166 T N 4.808 119.152 114.554 -0.350 0.000 2.792 166 T HA 0.652 5.001 4.350 -0.001 0.000 0.280 166 T C -1.041 173.482 174.700 -0.296 0.000 0.990 166 T CA -0.217 61.733 62.100 -0.249 0.000 0.960 166 T CB 0.650 69.466 68.868 -0.086 0.000 0.939 166 T HN 0.462 nan 8.240 nan 0.000 0.439 167 Y N 1.694 122.042 120.300 0.081 0.000 2.393 167 Y HA 0.597 5.146 4.550 -0.001 0.000 0.341 167 Y C -0.084 175.862 175.900 0.077 0.000 0.988 167 Y CA -1.427 56.718 58.100 0.075 0.000 1.078 167 Y CB 1.247 39.754 38.460 0.079 0.000 1.203 167 Y HN 0.429 nan 8.280 nan 0.000 0.453 168 L N 3.206 124.564 121.223 0.226 0.000 2.319 168 L HA 0.294 4.633 4.340 -0.001 0.000 0.280 168 L C -0.000 176.967 176.870 0.163 0.000 1.099 168 L CA 0.290 55.226 54.840 0.160 0.000 0.828 168 L CB 0.960 43.085 42.059 0.110 0.000 1.150 168 L HN 0.738 nan 8.230 nan 0.000 0.442 169 V N 3.751 123.769 119.914 0.172 0.000 2.575 169 V HA 0.154 4.274 4.120 -0.001 0.000 0.242 169 V C -0.038 176.173 176.094 0.195 0.000 1.045 169 V CA 0.782 63.180 62.300 0.164 0.000 1.065 169 V CB -0.571 31.361 31.823 0.182 0.000 0.717 169 V HN 0.953 nan 8.190 nan 0.000 0.467 170 H N -1.017 118.089 119.070 0.059 0.000 3.057 170 H HA 0.310 4.865 4.556 -0.001 0.000 0.308 170 H C -1.075 174.250 175.328 -0.005 0.000 1.276 170 H CA -0.879 55.133 56.048 -0.060 0.000 1.325 170 H CB 0.767 30.370 29.762 -0.264 0.000 1.963 170 H HN 0.156 nan 8.280 nan 0.000 0.524 171 N N 3.959 122.167 118.700 -0.820 0.000 2.527 171 N HA 0.201 4.940 4.740 -0.001 0.000 0.236 171 N C -1.034 174.046 175.510 -0.717 0.000 0.999 171 N CA -0.390 52.364 53.050 -0.495 0.000 0.935 171 N CB 0.552 38.870 38.487 -0.281 0.000 1.132 171 N HN 0.164 nan 8.380 nan 0.000 0.511 172 F N 1.889 121.648 119.950 -0.318 0.000 2.464 172 F HA 0.124 4.650 4.527 -0.001 0.000 0.353 172 F C 1.631 177.389 175.800 -0.070 0.000 1.191 172 F CA -0.249 57.681 58.000 -0.117 0.000 1.147 172 F CB 0.470 39.484 39.000 0.023 0.000 1.294 172 F HN 0.483 nan 8.300 nan 0.000 0.583 173 E N 1.936 122.158 120.200 0.036 0.000 2.112 173 E HA -0.091 4.258 4.350 -0.001 0.000 0.190 173 E C 0.208 176.849 176.600 0.069 0.000 0.979 173 E CA 0.797 57.219 56.400 0.036 0.000 0.814 173 E CB 0.203 29.904 29.700 0.001 0.000 0.762 173 E HN 0.649 nan 8.360 nan 0.000 0.460 174 E N -0.220 120.038 120.200 0.097 0.000 2.274 174 E HA 0.482 4.831 4.350 -0.001 0.000 0.269 174 E C -0.039 176.635 176.600 0.124 0.000 0.891 174 E CA -0.510 55.943 56.400 0.089 0.000 0.784 174 E CB 1.861 31.595 29.700 0.058 0.000 1.225 174 E HN 0.118 nan 8.360 nan 0.000 0.412 175 G N 1.530 110.393 108.800 0.106 0.000 2.728 175 G HA2 0.120 4.079 3.960 -0.001 0.000 0.294 175 G HA3 0.120 4.079 3.960 -0.001 0.000 0.294 175 G C 0.033 175.016 174.900 0.139 0.000 1.342 175 G CA -0.389 44.774 45.100 0.105 0.000 0.866 175 G HN 0.988 nan 8.290 nan 0.000 0.534 176 G N -2.021 106.834 108.800 0.091 0.000 3.119 176 G HA2 1.136 5.096 3.960 -0.001 0.000 0.206 176 G HA3 1.136 5.096 3.960 -0.001 0.000 0.206 176 G C 0.556 175.516 174.900 0.100 0.000 1.313 176 G CA 0.758 45.859 45.100 0.001 0.000 1.010 176 G HN 2.384 nan 8.290 nan 0.000 0.578 177 G N -2.221 106.567 108.800 -0.020 0.000 2.593 177 G HA2 0.579 4.539 3.960 -0.001 0.000 0.103 177 G HA3 0.579 4.539 3.960 -0.001 0.000 0.103 177 G C -1.103 173.780 174.900 -0.027 0.000 1.103 177 G CA 0.882 46.033 45.100 0.085 0.000 1.109 177 G HN 1.929 nan 8.290 nan 0.000 0.516 178 V N -2.829 117.084 119.914 -0.002 0.000 3.188 178 V HA 1.033 5.153 4.120 -0.001 0.000 0.305 178 V C -0.257 175.727 176.094 -0.183 0.000 1.232 178 V CA -0.099 62.117 62.300 -0.141 0.000 1.043 178 V CB 1.133 32.879 31.823 -0.128 0.000 1.068 178 V HN 2.610 nan 8.190 nan 0.000 0.439 179 A N 3.332 125.854 122.820 -0.496 0.000 2.609 179 A HA 1.051 5.370 4.320 -0.001 0.000 0.291 179 A C -0.825 176.372 177.584 -0.645 0.000 1.096 179 A CA -0.167 51.557 52.037 -0.521 0.000 0.684 179 A CB 2.222 20.896 19.000 -0.544 0.000 1.282 179 A HN 2.474 nan 8.150 nan 0.000 0.412 180 M N -0.113 119.291 119.600 -0.326 0.000 2.732 180 M HA 0.780 5.259 4.480 -0.001 0.000 0.272 180 M C -0.602 175.679 176.300 -0.033 0.000 1.203 180 M CA -0.164 55.031 55.300 -0.175 0.000 0.841 180 M CB 1.733 34.237 32.600 -0.160 0.000 1.685 180 M HN 1.609 nan 8.290 nan 0.000 0.492 181 G N 2.066 110.891 108.800 0.042 0.000 2.682 181 G HA2 0.784 4.744 3.960 -0.001 0.000 0.300 181 G HA3 0.784 4.744 3.960 -0.001 0.000 0.300 181 G C -1.288 173.682 174.900 0.118 0.000 1.391 181 G CA -0.936 44.221 45.100 0.094 0.000 0.990 181 G HN 1.136 nan 8.290 nan 0.000 0.501 182 M N 0.722 120.410 119.600 0.147 0.000 2.716 182 M HA 0.914 5.394 4.480 -0.001 0.000 0.278 182 M C -1.250 175.286 176.300 0.393 0.000 1.281 182 M CA -1.175 54.244 55.300 0.198 0.000 0.814 182 M CB 2.506 35.118 32.600 0.021 0.000 1.719 182 M HN 0.896 nan 8.290 nan 0.000 0.457 183 Y N -2.404 118.046 120.300 0.250 0.000 2.788 183 Y HA 0.786 5.336 4.550 -0.001 0.000 0.335 183 Y C -2.070 173.950 175.900 0.201 0.000 1.287 183 Y CA -0.975 57.279 58.100 0.257 0.000 1.068 183 Y CB 1.351 39.894 38.460 0.138 0.000 1.340 183 Y HN 0.913 nan 8.280 nan 0.000 0.449 184 N N 0.094 118.812 118.700 0.030 0.000 2.823 184 N HA 0.285 5.024 4.740 -0.001 0.000 0.251 184 N C -2.121 173.530 175.510 0.235 0.000 1.392 184 N CA -0.615 52.476 53.050 0.068 0.000 0.864 184 N CB 2.937 41.495 38.487 0.118 0.000 1.481 184 N HN 0.846 nan 8.380 nan 0.000 0.508 185 Q N 0.378 120.349 119.800 0.286 0.000 2.306 185 Q HA 0.341 4.681 4.340 -0.001 0.000 0.265 185 Q C -0.114 175.901 176.000 0.025 0.000 1.022 185 Q CA -0.827 55.073 55.803 0.161 0.000 0.853 185 Q CB 1.754 30.599 28.738 0.179 0.000 1.327 185 Q HN 0.459 nan 8.270 nan 0.000 0.449 186 D N 1.340 121.733 120.400 -0.012 0.000 2.104 186 D HA -0.183 4.456 4.640 -0.001 0.000 0.194 186 D C 1.546 177.827 176.300 -0.031 0.000 0.994 186 D CA 1.494 55.466 54.000 -0.047 0.000 0.830 186 D CB 0.197 40.981 40.800 -0.028 0.000 0.959 186 D HN 0.348 nan 8.370 nan 0.000 0.452 187 K N 0.914 121.305 120.400 -0.015 0.000 2.032 187 K HA -0.115 4.204 4.320 -0.001 0.000 0.209 187 K C 2.070 178.659 176.600 -0.020 0.000 1.048 187 K CA 1.539 57.817 56.287 -0.015 0.000 0.927 187 K CB -0.771 31.714 32.500 -0.025 0.000 0.712 187 K HN -0.022 nan 8.250 nan 0.000 0.441 188 S N -0.403 115.269 115.700 -0.046 0.000 2.383 188 S HA -0.027 4.442 4.470 -0.001 0.000 0.227 188 S C 1.900 176.553 174.600 0.088 0.000 1.026 188 S CA 1.243 59.436 58.200 -0.012 0.000 0.981 188 S CB -0.304 62.808 63.200 -0.146 0.000 0.818 188 S HN 0.388 nan 8.310 nan 0.000 0.472 189 I N 1.010 121.589 120.570 0.016 0.000 2.394 189 I HA -0.126 4.043 4.170 -0.001 0.000 0.251 189 I C 2.533 178.632 176.117 -0.031 0.000 1.136 189 I CA 1.215 62.472 61.300 -0.072 0.000 1.425 189 I CB -0.344 37.478 38.000 -0.297 0.000 1.079 189 I HN 0.376 nan 8.210 nan 0.000 0.425 190 E N 0.820 121.002 120.200 -0.029 0.000 2.072 190 E HA -0.217 4.132 4.350 -0.001 0.000 0.191 190 E C 1.705 178.347 176.600 0.070 0.000 0.985 190 E CA 1.286 57.676 56.400 -0.016 0.000 0.801 190 E CB 0.018 29.749 29.700 0.052 0.000 0.750 190 E HN 0.424 nan 8.360 nan 0.000 0.452 191 D N 0.197 120.659 120.400 0.104 0.000 2.144 191 D HA -0.158 4.481 4.640 -0.001 0.000 0.199 191 D C 1.676 178.054 176.300 0.131 0.000 0.984 191 D CA 0.657 54.742 54.000 0.141 0.000 0.834 191 D CB -0.252 40.603 40.800 0.092 0.000 0.955 191 D HN 0.104 nan 8.370 nan 0.000 0.465 192 F N 2.021 121.895 119.950 -0.126 0.000 2.134 192 F HA -0.118 4.408 4.527 -0.001 0.000 0.299 192 F C 2.157 177.798 175.800 -0.266 0.000 1.097 192 F CA 1.225 59.116 58.000 -0.182 0.000 1.264 192 F CB -0.619 38.128 39.000 -0.421 0.000 1.001 192 F HN -0.069 nan 8.300 nan 0.000 0.479 193 A N -0.404 121.974 122.820 -0.737 0.000 1.873 193 A HA -0.205 4.114 4.320 -0.001 0.000 0.215 193 A C 2.027 179.100 177.584 -0.852 0.000 1.186 193 A CA 1.860 52.948 52.037 -1.581 0.000 0.616 193 A CB -1.435 16.614 19.000 -1.586 0.000 0.823 193 A HN 0.596 nan 8.150 nan 0.000 0.442 194 H N 0.395 119.315 119.070 -0.251 0.000 2.352 194 H HA -0.130 4.425 4.556 -0.001 0.000 0.299 194 H C 2.721 178.011 175.328 -0.063 0.000 1.097 194 H CA 2.265 58.309 56.048 -0.007 0.000 1.311 194 H CB 0.010 29.831 29.762 0.099 0.000 1.377 194 H HN 0.678 nan 8.280 nan 0.000 0.504 195 S N -0.600 115.152 115.700 0.087 0.000 2.402 195 S HA -0.146 4.324 4.470 -0.001 0.000 0.229 195 S C 2.199 176.893 174.600 0.156 0.000 1.021 195 S CA 1.242 59.544 58.200 0.171 0.000 0.974 195 S CB -0.199 63.163 63.200 0.270 0.000 0.800 195 S HN 0.242 nan 8.310 nan 0.000 0.484 196 S N 1.449 117.090 115.700 -0.099 0.000 2.357 196 S HA 0.130 4.599 4.470 -0.001 0.000 0.221 196 S C 1.425 175.915 174.600 -0.184 0.000 1.031 196 S CA 1.149 59.260 58.200 -0.148 0.000 0.982 196 S CB -0.581 62.349 63.200 -0.450 0.000 0.853 196 S HN 0.552 nan 8.310 nan 0.000 0.458 197 F N 2.114 121.917 119.950 -0.245 0.000 2.171 197 F HA -0.073 4.453 4.527 -0.001 0.000 0.300 197 F C 2.614 178.299 175.800 -0.192 0.000 1.090 197 F CA 0.853 58.686 58.000 -0.279 0.000 1.293 197 F CB -0.877 37.510 39.000 -1.023 0.000 1.013 197 F HN 0.219 nan 8.300 nan 0.000 0.486 198 Q N -1.022 118.755 119.800 -0.039 0.000 2.119 198 Q HA -0.220 4.119 4.340 -0.001 0.000 0.201 198 Q C 2.203 178.172 176.000 -0.050 0.000 0.972 198 Q CA 1.564 57.370 55.803 0.005 0.000 0.847 198 Q CB -0.337 28.436 28.738 0.059 0.000 0.903 198 Q HN 0.332 nan 8.270 nan 0.000 0.433 199 M N 0.614 120.175 119.600 -0.065 0.000 2.132 199 M HA -0.053 4.426 4.480 -0.001 0.000 0.263 199 M C 1.930 178.131 176.300 -0.166 0.000 1.065 199 M CA 1.738 56.926 55.300 -0.186 0.000 1.122 199 M CB -0.417 32.040 32.600 -0.238 0.000 1.365 199 M HN 0.135 nan 8.290 nan 0.000 0.411 200 A N -0.113 122.666 122.820 -0.068 0.000 1.933 200 A HA -0.091 4.228 4.320 -0.001 0.000 0.218 200 A C 2.190 179.602 177.584 -0.286 0.000 1.175 200 A CA 1.673 53.644 52.037 -0.111 0.000 0.628 200 A CB -1.059 17.957 19.000 0.027 0.000 0.814 200 A HN 0.576 nan 8.150 nan 0.000 0.444 201 L N 0.316 121.378 121.223 -0.268 0.000 2.156 201 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 201 L C 2.931 179.670 176.870 -0.219 0.000 1.095 201 L CA 1.432 56.109 54.840 -0.271 0.000 0.770 201 L CB -0.325 41.659 42.059 -0.126 0.000 0.914 201 L HN 0.604 nan 8.230 nan 0.000 0.439 202 S N -1.130 114.443 115.700 -0.211 0.000 2.428 202 S HA -0.065 4.404 4.470 -0.001 0.000 0.230 202 S C 1.880 176.289 174.600 -0.318 0.000 1.014 202 S CA 0.428 58.497 58.200 -0.219 0.000 0.957 202 S CB -0.035 63.043 63.200 -0.204 0.000 0.784 202 S HN 0.266 nan 8.310 nan 0.000 0.499 203 K N 0.772 120.906 120.400 -0.443 0.000 2.284 203 K HA 0.257 4.576 4.320 -0.001 0.000 0.198 203 K C 1.373 177.529 176.600 -0.741 0.000 1.048 203 K CA 0.747 56.581 56.287 -0.754 0.000 0.987 203 K CB -0.445 31.383 32.500 -1.119 0.000 0.800 203 K HN 0.577 nan 8.250 nan 0.000 0.486 204 G N 1.582 110.118 108.800 -0.440 0.000 2.171 204 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.238 204 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.238 204 G C -0.650 174.246 174.900 -0.007 0.000 1.039 204 G CA -0.049 44.911 45.100 -0.233 0.000 0.759 204 G HN 0.033 nan 8.290 nan 0.000 0.501 205 W N -1.074 120.100 121.300 -0.209 0.000 2.799 205 W HA 0.609 5.268 4.660 -0.001 0.000 0.349 205 W C -2.246 174.087 176.519 -0.310 0.000 1.100 205 W CA -3.191 54.029 57.345 -0.209 0.000 1.174 205 W CB 0.331 29.729 29.460 -0.104 0.000 1.427 205 W HN -0.027 nan 8.180 nan 0.000 0.547 206 P HA 0.134 nan 4.420 nan 0.000 0.272 206 P C -0.770 176.376 177.300 -0.255 0.000 1.230 206 P CA -0.152 62.579 63.100 -0.616 0.000 0.788 206 P CB 0.649 31.534 31.700 -1.359 0.000 0.949 207 L N 2.810 123.892 121.223 -0.234 0.000 2.365 207 L HA 0.569 4.909 4.340 -0.001 0.000 0.273 207 L C -1.657 175.063 176.870 -0.251 0.000 1.000 207 L CA -0.602 54.239 54.840 0.003 0.000 0.819 207 L CB 0.977 43.225 42.059 0.315 0.000 1.284 207 L HN 0.241 nan 8.230 nan 0.000 0.418 208 Y N 4.657 125.075 120.300 0.197 0.000 2.477 208 Y HA 0.686 5.236 4.550 -0.001 0.000 0.347 208 Y C -0.851 175.129 175.900 0.134 0.000 0.981 208 Y CA -0.793 57.327 58.100 0.033 0.000 1.033 208 Y CB 2.104 40.427 38.460 -0.228 0.000 1.245 208 Y HN 0.579 nan 8.280 nan 0.000 0.455 209 L N 3.143 124.482 121.223 0.193 0.000 2.365 209 L HA 0.848 5.187 4.340 -0.001 0.000 0.273 209 L C -0.599 176.218 176.870 -0.088 0.000 1.000 209 L CA -0.403 54.474 54.840 0.061 0.000 0.819 209 L CB 1.785 43.766 42.059 -0.130 0.000 1.284 209 L HN 0.610 nan 8.230 nan 0.000 0.418 210 S N 2.154 117.868 115.700 0.024 0.000 2.503 210 S HA 0.980 5.449 4.470 -0.001 0.000 0.301 210 S C -0.280 174.302 174.600 -0.030 0.000 1.087 210 S CA 0.078 58.240 58.200 -0.064 0.000 1.042 210 S CB 1.646 64.955 63.200 0.181 0.000 1.043 210 S HN 1.025 nan 8.310 nan 0.000 0.489 211 T N -1.130 113.404 114.554 -0.035 0.000 2.671 211 T HA 0.660 5.009 4.350 -0.001 0.000 0.300 211 T C -1.042 173.711 174.700 0.089 0.000 1.238 211 T CA -0.805 61.339 62.100 0.073 0.000 1.020 211 T CB 1.521 70.518 68.868 0.215 0.000 1.503 211 T HN 0.532 nan 8.240 nan 0.000 0.497 212 K N 1.179 121.630 120.400 0.084 0.000 3.202 212 K HA 0.306 4.625 4.320 -0.001 0.000 0.206 212 K C 1.327 177.975 176.600 0.081 0.000 1.142 212 K CA -0.337 55.989 56.287 0.066 0.000 0.979 212 K CB -0.536 31.978 32.500 0.023 0.000 0.863 212 K HN 0.592 nan 8.250 nan 0.000 0.479 213 N N -0.425 118.351 118.700 0.127 0.000 2.430 213 N HA -0.181 4.559 4.740 -0.001 0.000 0.186 213 N C 0.833 176.383 175.510 0.066 0.000 1.032 213 N CA 1.831 54.943 53.050 0.103 0.000 0.893 213 N CB -0.203 38.334 38.487 0.084 0.000 0.957 213 N HN 0.352 nan 8.380 nan 0.000 0.442 214 T N -1.835 112.755 114.554 0.059 0.000 2.995 214 T HA 0.077 4.426 4.350 -0.001 0.000 0.269 214 T C 1.859 176.573 174.700 0.025 0.000 1.091 214 T CA 0.414 62.536 62.100 0.037 0.000 1.128 214 T CB 0.055 68.943 68.868 0.033 0.000 0.891 214 T HN 0.047 nan 8.240 nan 0.000 0.492 215 I N 0.534 121.118 120.570 0.023 0.000 2.899 215 I HA 0.329 4.499 4.170 -0.001 0.000 0.257 215 I C 1.190 177.311 176.117 0.006 0.000 1.115 215 I CA 0.354 61.656 61.300 0.004 0.000 1.451 215 I CB -0.621 37.372 38.000 -0.010 0.000 1.251 215 I HN 0.249 nan 8.210 nan 0.000 0.456 216 L N 2.040 123.276 121.223 0.021 0.000 2.512 216 L HA 0.210 4.549 4.340 -0.001 0.000 0.247 216 L C 1.412 178.337 176.870 0.091 0.000 1.204 216 L CA -0.152 54.714 54.840 0.043 0.000 1.153 216 L CB 0.065 42.142 42.059 0.030 0.000 1.415 216 L HN 0.126 nan 8.230 nan 0.000 0.406 217 K N 0.130 120.567 120.400 0.063 0.000 2.113 217 K HA -0.175 4.144 4.320 -0.001 0.000 0.208 217 K C 1.601 178.251 176.600 0.084 0.000 1.047 217 K CA 1.246 57.571 56.287 0.064 0.000 0.928 217 K CB 0.111 32.633 32.500 0.038 0.000 0.716 217 K HN 0.348 nan 8.250 nan 0.000 0.446 218 K N -0.131 120.326 120.400 0.095 0.000 2.099 218 K HA -0.043 4.276 4.320 -0.001 0.000 0.203 218 K C 2.101 178.796 176.600 0.158 0.000 1.047 218 K CA 0.992 57.337 56.287 0.097 0.000 0.963 218 K CB -0.616 31.919 32.500 0.058 0.000 0.759 218 K HN 0.127 nan 8.250 nan 0.000 0.451 219 Y N 2.879 123.228 120.300 0.083 0.000 2.070 219 Y HA -0.228 4.321 4.550 -0.001 0.000 0.279 219 Y C 1.746 177.808 175.900 0.269 0.000 1.134 219 Y CA 1.988 60.180 58.100 0.152 0.000 1.113 219 Y CB -0.161 38.362 38.460 0.106 0.000 0.981 219 Y HN 0.083 nan 8.280 nan 0.000 0.487 220 D N -0.959 119.715 120.400 0.457 0.000 2.224 220 D HA -0.044 4.596 4.640 -0.001 0.000 0.205 220 D C 2.296 178.783 176.300 0.313 0.000 0.965 220 D CA 1.129 55.353 54.000 0.373 0.000 0.852 220 D CB -0.762 40.162 40.800 0.205 0.000 0.947 220 D HN 0.512 nan 8.370 nan 0.000 0.494 221 G N 0.650 109.577 108.800 0.212 0.000 2.442 221 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.219 221 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.219 221 G C 1.795 176.784 174.900 0.148 0.000 1.141 221 G CA 0.730 45.910 45.100 0.133 0.000 0.763 221 G HN 0.195 nan 8.290 nan 0.000 0.554 222 R N -0.455 120.143 120.500 0.163 0.000 2.096 222 R HA 0.026 4.365 4.340 -0.001 0.000 0.235 222 R C 2.220 178.591 176.300 0.120 0.000 1.127 222 R CA 1.145 57.298 56.100 0.089 0.000 0.968 222 R CB -0.550 29.743 30.300 -0.013 0.000 0.861 222 R HN 0.373 nan 8.270 nan 0.000 0.440 223 F N 0.697 120.725 119.950 0.129 0.000 2.102 223 F HA -0.111 4.415 4.527 -0.001 0.000 0.298 223 F C 2.348 178.271 175.800 0.204 0.000 1.105 223 F CA 1.792 59.912 58.000 0.200 0.000 1.239 223 F CB -0.423 38.684 39.000 0.178 0.000 0.991 223 F HN 0.029 nan 8.300 nan 0.000 0.474 224 K N 0.282 120.875 120.400 0.320 0.000 2.063 224 K HA -0.200 4.119 4.320 -0.001 0.000 0.208 224 K C 1.655 178.376 176.600 0.201 0.000 1.048 224 K CA 2.001 58.396 56.287 0.180 0.000 0.928 224 K CB -0.216 32.235 32.500 -0.082 0.000 0.713 224 K HN 0.132 nan 8.250 nan 0.000 0.442 225 D N 0.647 121.140 120.400 0.155 0.000 2.144 225 D HA -0.121 4.519 4.640 -0.001 0.000 0.200 225 D C 1.974 178.366 176.300 0.154 0.000 0.978 225 D CA 1.040 55.117 54.000 0.129 0.000 0.833 225 D CB -0.081 40.768 40.800 0.081 0.000 0.961 225 D HN 0.311 nan 8.370 nan 0.000 0.470 226 I N 0.041 120.710 120.570 0.165 0.000 2.315 226 I HA -0.239 3.931 4.170 -0.001 0.000 0.248 226 I C 2.096 178.309 176.117 0.160 0.000 1.117 226 I CA 0.628 62.000 61.300 0.120 0.000 1.404 226 I CB -0.130 37.906 38.000 0.060 0.000 1.071 226 I HN -0.131 nan 8.210 nan 0.000 0.419 227 F N 1.046 121.039 119.950 0.073 0.000 2.075 227 F HA -0.269 4.257 4.527 -0.001 0.000 0.297 227 F C 2.776 178.693 175.800 0.196 0.000 1.113 227 F CA 1.800 59.856 58.000 0.092 0.000 1.218 227 F CB -0.732 38.293 39.000 0.041 0.000 0.984 227 F HN 0.023 nan 8.300 nan 0.000 0.472 228 Q N 0.624 120.681 119.800 0.428 0.000 2.096 228 Q HA -0.242 4.097 4.340 -0.001 0.000 0.204 228 Q C 2.121 178.257 176.000 0.226 0.000 0.982 228 Q CA 2.112 58.138 55.803 0.371 0.000 0.850 228 Q CB -0.445 28.463 28.738 0.283 0.000 0.901 228 Q HN 0.519 nan 8.270 nan 0.000 0.422 229 E N -0.616 119.671 120.200 0.144 0.000 2.031 229 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 229 E C 1.903 178.502 176.600 -0.002 0.000 0.994 229 E CA 1.452 57.888 56.400 0.060 0.000 0.800 229 E CB -0.201 29.527 29.700 0.046 0.000 0.752 229 E HN 0.487 nan 8.360 nan 0.000 0.447 230 I N 0.244 120.801 120.570 -0.023 0.000 2.394 230 I HA -0.238 3.931 4.170 -0.001 0.000 0.251 230 I C 2.232 178.215 176.117 -0.223 0.000 1.136 230 I CA 0.694 61.925 61.300 -0.116 0.000 1.425 230 I CB -0.251 37.645 38.000 -0.173 0.000 1.079 230 I HN 0.258 nan 8.210 nan 0.000 0.425 231 Y N 2.088 122.126 120.300 -0.436 0.000 2.109 231 Y HA -0.279 4.270 4.550 -0.001 0.000 0.285 231 Y C 2.245 177.944 175.900 -0.335 0.000 1.131 231 Y CA 1.660 59.348 58.100 -0.687 0.000 1.121 231 Y CB -0.433 37.710 38.460 -0.529 0.000 0.987 231 Y HN 0.157 nan 8.280 nan 0.000 0.495 232 D N 0.153 120.433 120.400 -0.201 0.000 2.149 232 D HA -0.174 4.465 4.640 -0.001 0.000 0.198 232 D C 1.837 177.991 176.300 -0.243 0.000 0.990 232 D CA 1.757 55.618 54.000 -0.231 0.000 0.839 232 D CB -0.143 40.626 40.800 -0.051 0.000 0.948 232 D HN 0.458 nan 8.370 nan 0.000 0.460 233 K N -0.282 119.996 120.400 -0.204 0.000 2.361 233 K HA 0.085 4.405 4.320 -0.001 0.000 0.196 233 K C 1.636 178.082 176.600 -0.257 0.000 1.039 233 K CA 0.484 56.660 56.287 -0.186 0.000 1.001 233 K CB 0.407 32.833 32.500 -0.123 0.000 0.795 233 K HN 0.132 nan 8.250 nan 0.000 0.495 234 Q N -1.862 117.708 119.800 -0.382 0.000 2.171 234 Q HA 0.134 4.473 4.340 -0.001 0.000 0.250 234 Q C 0.354 175.871 176.000 -0.805 0.000 0.791 234 Q CA 0.125 55.581 55.803 -0.578 0.000 0.950 234 Q CB 0.745 29.072 28.738 -0.685 0.000 1.151 234 Q HN 0.230 nan 8.270 nan 0.000 0.480 235 Y N -0.201 119.850 120.300 -0.415 0.000 2.441 235 Y HA 0.229 4.779 4.550 -0.001 0.000 0.266 235 Y C 1.911 177.556 175.900 -0.425 0.000 1.093 235 Y CA -0.311 57.581 58.100 -0.346 0.000 1.246 235 Y CB 0.511 38.704 38.460 -0.444 0.000 1.262 235 Y HN -0.139 nan 8.280 nan 0.000 0.518 236 K N 1.181 121.093 120.400 -0.813 0.000 2.077 236 K HA -0.260 4.059 4.320 -0.001 0.000 0.213 236 K C 2.132 178.622 176.600 -0.184 0.000 1.051 236 K CA 2.427 58.192 56.287 -0.869 0.000 0.929 236 K CB -0.167 31.820 32.500 -0.854 0.000 0.715 236 K HN 0.392 nan 8.250 nan 0.000 0.451 237 S N 0.328 115.949 115.700 -0.132 0.000 2.382 237 S HA -0.199 4.270 4.470 -0.001 0.000 0.228 237 S C 1.939 176.583 174.600 0.074 0.000 1.027 237 S CA 1.181 59.370 58.200 -0.018 0.000 0.991 237 S CB -0.387 62.784 63.200 -0.049 0.000 0.823 237 S HN 0.445 nan 8.310 nan 0.000 0.469 238 Q N -0.171 119.700 119.800 0.118 0.000 2.119 238 Q HA 0.007 4.346 4.340 -0.001 0.000 0.201 238 Q C 1.787 177.930 176.000 0.239 0.000 0.972 238 Q CA 1.263 57.169 55.803 0.173 0.000 0.847 238 Q CB -0.365 28.507 28.738 0.224 0.000 0.903 238 Q HN 0.551 nan 8.270 nan 0.000 0.433 239 F N 1.627 121.645 119.950 0.113 0.000 2.113 239 F HA -0.143 4.384 4.527 -0.001 0.000 0.297 239 F C 2.105 178.000 175.800 0.159 0.000 1.103 239 F CA 1.294 59.399 58.000 0.176 0.000 1.248 239 F CB -0.227 38.967 39.000 0.322 0.000 0.999 239 F HN 0.075 nan 8.300 nan 0.000 0.475 240 E N -0.153 120.243 120.200 0.327 0.000 2.118 240 E HA -0.215 4.134 4.350 -0.001 0.000 0.195 240 E C 2.376 179.067 176.600 0.152 0.000 0.992 240 E CA 1.016 57.552 56.400 0.226 0.000 0.804 240 E CB -0.396 29.401 29.700 0.162 0.000 0.741 240 E HN 0.376 nan 8.360 nan 0.000 0.458 241 A N 1.344 124.235 122.820 0.117 0.000 1.902 241 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 241 A C 1.923 179.546 177.584 0.065 0.000 1.181 241 A CA 1.326 53.409 52.037 0.075 0.000 0.623 241 A CB -0.295 18.738 19.000 0.055 0.000 0.818 241 A HN 0.176 nan 8.150 nan 0.000 0.443 242 Q N -1.084 118.749 119.800 0.055 0.000 2.280 242 Q HA 0.116 4.455 4.340 -0.001 0.000 0.202 242 Q C -0.503 175.537 176.000 0.068 0.000 0.903 242 Q CA 0.046 55.864 55.803 0.026 0.000 0.948 242 Q CB 0.143 28.851 28.738 -0.049 0.000 1.058 242 Q HN 0.616 nan 8.270 nan 0.000 0.493 243 K N 0.315 120.792 120.400 0.128 0.000 3.088 243 K HA -0.209 4.110 4.320 -0.001 0.000 0.273 243 K C 0.150 176.922 176.600 0.286 0.000 1.111 243 K CA 0.713 57.120 56.287 0.200 0.000 0.803 243 K CB -2.080 30.522 32.500 0.169 0.000 1.226 243 K HN 0.440 nan 8.250 nan 0.000 0.485 244 I N -2.993 117.712 120.570 0.225 0.000 3.474 244 I HA 0.815 4.984 4.170 -0.001 0.000 0.294 244 I C 0.214 176.641 176.117 0.516 0.000 1.185 244 I CA -0.951 60.428 61.300 0.131 0.000 1.003 244 I CB 0.932 38.812 38.000 -0.200 0.000 1.327 244 I HN 0.133 nan 8.210 nan 0.000 0.541 245 W N 0.151 121.704 121.300 0.422 0.000 2.959 245 W HA 0.655 5.314 4.660 -0.001 0.000 0.358 245 W C -2.346 174.368 176.519 0.324 0.000 1.228 245 W CA -1.203 56.410 57.345 0.447 0.000 1.183 245 W CB 0.376 29.947 29.460 0.185 0.000 1.467 245 W HN 0.632 nan 8.180 nan 0.000 0.578 246 Y N 1.419 121.777 120.300 0.097 0.000 2.391 246 Y HA 0.691 5.240 4.550 -0.001 0.000 0.341 246 Y C -0.916 174.921 175.900 -0.104 0.000 0.965 246 Y CA -1.295 56.642 58.100 -0.271 0.000 1.067 246 Y CB 1.834 39.732 38.460 -0.937 0.000 1.199 246 Y HN 0.646 nan 8.280 nan 0.000 0.450 247 E N 4.219 123.864 120.200 -0.926 0.000 2.356 247 E HA 0.163 4.512 4.350 -0.001 0.000 0.275 247 E C -1.786 174.457 176.600 -0.595 0.000 0.904 247 E CA -1.079 54.929 56.400 -0.653 0.000 0.757 247 E CB 2.096 31.763 29.700 -0.054 0.000 1.232 247 E HN 0.651 nan 8.360 nan 0.000 0.442 248 H N 2.885 121.687 119.070 -0.448 0.000 2.458 248 H HA 0.500 5.056 4.556 -0.001 0.000 0.330 248 H C -0.903 174.373 175.328 -0.088 0.000 1.111 248 H CA -0.148 55.786 56.048 -0.190 0.000 1.245 248 H CB 0.989 30.698 29.762 -0.088 0.000 1.456 248 H HN 0.505 nan 8.280 nan 0.000 0.488 249 R N 3.642 123.747 120.500 -0.658 0.000 2.771 249 R HA 0.368 4.708 4.340 -0.001 0.000 0.274 249 R C -0.476 175.556 176.300 -0.446 0.000 0.987 249 R CA -1.021 54.852 56.100 -0.379 0.000 0.908 249 R CB 2.340 32.467 30.300 -0.287 0.000 1.213 249 R HN 0.466 nan 8.270 nan 0.000 0.468 250 L N 2.504 123.629 121.223 -0.164 0.000 2.426 250 L HA 0.068 4.407 4.340 -0.001 0.000 0.271 250 L C 1.742 178.564 176.870 -0.080 0.000 1.169 250 L CA 0.003 54.803 54.840 -0.067 0.000 0.836 250 L CB 0.466 42.526 42.059 0.001 0.000 1.112 250 L HN 0.677 nan 8.230 nan 0.000 0.465 251 I N 1.796 122.352 120.570 -0.023 0.000 2.300 251 I HA -0.307 3.862 4.170 -0.001 0.000 0.252 251 I C 1.589 177.718 176.117 0.020 0.000 1.119 251 I CA 1.821 63.140 61.300 0.031 0.000 1.384 251 I CB -0.269 37.773 38.000 0.071 0.000 1.062 251 I HN 0.717 nan 8.210 nan 0.000 0.426 252 D N 0.152 120.551 120.400 -0.001 0.000 2.088 252 D HA -0.238 4.401 4.640 -0.001 0.000 0.191 252 D C 1.947 178.222 176.300 -0.043 0.000 0.992 252 D CA 1.700 55.695 54.000 -0.009 0.000 0.831 252 D CB -0.535 40.258 40.800 -0.012 0.000 0.973 252 D HN 0.434 nan 8.370 nan 0.000 0.447 253 D N -0.410 119.947 120.400 -0.072 0.000 2.104 253 D HA -0.186 4.453 4.640 -0.001 0.000 0.194 253 D C 1.897 178.084 176.300 -0.188 0.000 0.994 253 D CA 0.880 54.809 54.000 -0.117 0.000 0.830 253 D CB -0.199 40.528 40.800 -0.122 0.000 0.959 253 D HN 0.012 nan 8.370 nan 0.000 0.452 254 M N 0.326 119.793 119.600 -0.221 0.000 2.065 254 M HA -0.139 4.340 4.480 -0.001 0.000 0.259 254 M C 2.280 178.357 176.300 -0.373 0.000 1.069 254 M CA 1.879 56.949 55.300 -0.383 0.000 1.110 254 M CB -0.771 31.622 32.600 -0.346 0.000 1.328 254 M HN 0.100 nan 8.290 nan 0.000 0.405 255 V N -1.402 118.438 119.914 -0.122 0.000 2.490 255 V HA -0.076 4.044 4.120 -0.001 0.000 0.250 255 V C 2.250 178.330 176.094 -0.024 0.000 1.061 255 V CA 1.679 63.983 62.300 0.006 0.000 1.064 255 V CB -2.275 29.638 31.823 0.151 0.000 0.670 255 V HN 0.488 nan 8.190 nan 0.000 0.461 256 A N -0.524 122.257 122.820 -0.065 0.000 1.897 256 A HA -0.090 4.229 4.320 -0.001 0.000 0.215 256 A C 2.255 179.787 177.584 -0.087 0.000 1.181 256 A CA 1.405 53.410 52.037 -0.052 0.000 0.620 256 A CB -0.528 18.438 19.000 -0.057 0.000 0.821 256 A HN 0.540 nan 8.150 nan 0.000 0.443 257 Q N -0.227 119.462 119.800 -0.184 0.000 2.096 257 Q HA -0.163 4.177 4.340 -0.001 0.000 0.204 257 Q C 2.441 178.317 176.000 -0.207 0.000 0.982 257 Q CA 1.691 57.347 55.803 -0.245 0.000 0.850 257 Q CB -0.738 27.745 28.738 -0.424 0.000 0.901 257 Q HN 0.644 nan 8.270 nan 0.000 0.422 258 A N 0.836 123.509 122.820 -0.244 0.000 1.902 258 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 258 A C 2.149 179.907 177.584 0.290 0.000 1.181 258 A CA 1.904 53.913 52.037 -0.047 0.000 0.623 258 A CB -0.527 18.386 19.000 -0.146 0.000 0.818 258 A HN 0.357 nan 8.150 nan 0.000 0.443 259 M N 0.802 120.552 119.600 0.250 0.000 2.149 259 M HA -0.171 4.308 4.480 -0.001 0.000 0.261 259 M C 1.785 178.202 176.300 0.196 0.000 1.064 259 M CA 2.455 57.926 55.300 0.285 0.000 1.102 259 M CB -0.364 32.300 32.600 0.107 0.000 1.369 259 M HN 0.520 nan 8.290 nan 0.000 0.408 260 K N -0.655 119.818 120.400 0.122 0.000 2.374 260 K HA 0.199 4.518 4.320 -0.001 0.000 0.196 260 K C 0.543 177.213 176.600 0.117 0.000 1.023 260 K CA 0.386 56.713 56.287 0.068 0.000 1.103 260 K CB -0.266 32.237 32.500 0.005 0.000 0.848 260 K HN 0.376 nan 8.250 nan 0.000 0.528 261 S N 1.491 117.313 115.700 0.204 0.000 2.640 261 S HA 0.005 4.474 4.470 -0.001 0.000 0.262 261 S C 0.710 175.487 174.600 0.296 0.000 1.232 261 S CA -0.325 57.990 58.200 0.192 0.000 0.988 261 S CB 0.888 64.192 63.200 0.173 0.000 1.034 261 S HN 0.472 nan 8.310 nan 0.000 0.569 262 E N -0.695 119.631 120.200 0.211 0.000 2.548 262 E HA 0.482 4.831 4.350 -0.001 0.000 0.206 262 E C 0.903 177.567 176.600 0.107 0.000 1.005 262 E CA -0.377 56.140 56.400 0.195 0.000 0.951 262 E CB -0.566 29.199 29.700 0.107 0.000 1.035 262 E HN 1.150 nan 8.360 nan 0.000 0.470 263 G N 0.597 109.422 108.800 0.042 0.000 2.693 263 G HA2 0.019 3.979 3.960 -0.001 0.000 0.226 263 G HA3 0.019 3.979 3.960 -0.001 0.000 0.226 263 G C 0.615 175.349 174.900 -0.276 0.000 1.354 263 G CA -0.208 44.741 45.100 -0.251 0.000 0.873 263 G HN 1.206 nan 8.290 nan 0.000 0.562 264 G N -2.223 106.156 108.800 -0.703 0.000 2.325 264 G HA2 0.441 4.401 3.960 -0.001 0.000 0.248 264 G HA3 0.441 4.401 3.960 -0.001 0.000 0.248 264 G C 0.076 174.508 174.900 -0.779 0.000 1.108 264 G CA 0.957 45.360 45.100 -1.162 0.000 0.881 264 G HN 2.457 nan 8.290 nan 0.000 0.494 265 F N -1.970 117.736 119.950 -0.406 0.000 2.741 265 F HA 0.795 5.321 4.527 -0.001 0.000 0.311 265 F C -0.810 175.148 175.800 0.262 0.000 1.149 265 F CA -2.467 55.551 58.000 0.031 0.000 0.930 265 F CB 0.776 39.833 39.000 0.094 0.000 1.312 265 F HN 0.023 nan 8.300 nan 0.000 0.450 266 I N 2.112 123.006 120.570 0.539 0.000 2.353 266 I HA 0.158 4.327 4.170 -0.001 0.000 0.293 266 I C -1.201 175.303 176.117 0.645 0.000 0.992 266 I CA -0.425 61.154 61.300 0.465 0.000 1.268 266 I CB 1.283 39.483 38.000 0.334 0.000 1.387 266 I HN 0.799 nan 8.210 nan 0.000 0.478 267 W N 7.297 128.813 121.300 0.361 0.000 2.338 267 W HA 0.656 5.315 4.660 -0.001 0.000 0.315 267 W C -0.611 176.044 176.519 0.226 0.000 1.005 267 W CA -1.821 55.732 57.345 0.346 0.000 1.380 267 W CB 1.247 30.915 29.460 0.346 0.000 1.235 267 W HN 0.569 nan 8.180 nan 0.000 0.409 268 A N 5.038 128.179 122.820 0.536 0.000 2.396 268 A HA 0.545 4.864 4.320 -0.001 0.000 0.279 268 A C -0.503 177.279 177.584 0.330 0.000 1.165 268 A CA 0.096 52.327 52.037 0.322 0.000 0.824 268 A CB -0.123 18.902 19.000 0.042 0.000 1.100 268 A HN 0.556 nan 8.150 nan 0.000 0.516 269 C N 2.979 122.419 119.300 0.234 0.000 2.507 269 C HA 0.465 4.925 4.460 -0.001 0.000 0.319 269 C C 0.680 175.701 174.990 0.053 0.000 1.208 269 C CA -0.900 58.129 59.018 0.018 0.000 1.619 269 C CB 1.366 28.887 27.740 -0.364 0.000 2.230 269 C HN 0.947 nan 8.230 nan 0.000 0.492 270 K N 1.717 122.112 120.400 -0.009 0.000 2.276 270 K HA 0.016 4.336 4.320 -0.001 0.000 0.259 270 K C 1.278 177.803 176.600 -0.126 0.000 1.001 270 K CA -0.142 56.087 56.287 -0.096 0.000 0.927 270 K CB 0.410 32.795 32.500 -0.192 0.000 0.969 270 K HN 0.604 nan 8.250 nan 0.000 0.490 271 N N 1.190 119.801 118.700 -0.149 0.000 2.058 271 N HA -0.285 4.454 4.740 -0.001 0.000 0.200 271 N C 1.685 177.126 175.510 -0.115 0.000 1.033 271 N CA 1.923 54.830 53.050 -0.239 0.000 0.880 271 N CB -0.387 37.946 38.487 -0.256 0.000 1.069 271 N HN 0.570 nan 8.380 nan 0.000 0.461 272 Y N 1.872 122.196 120.300 0.040 0.000 2.097 272 Y HA -0.179 4.371 4.550 -0.001 0.000 0.282 272 Y C 2.113 178.000 175.900 -0.021 0.000 1.152 272 Y CA 1.992 60.164 58.100 0.120 0.000 1.136 272 Y CB -0.575 37.927 38.460 0.069 0.000 0.975 272 Y HN 0.149 nan 8.280 nan 0.000 0.498 273 D N -0.623 119.722 120.400 -0.092 0.000 2.117 273 D HA -0.156 4.484 4.640 -0.001 0.000 0.197 273 D C 2.322 178.416 176.300 -0.344 0.000 0.987 273 D CA 1.527 55.399 54.000 -0.213 0.000 0.829 273 D CB -0.791 39.955 40.800 -0.090 0.000 0.961 273 D HN 0.544 nan 8.370 nan 0.000 0.460 274 G N 0.753 109.361 108.800 -0.321 0.000 2.432 274 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.219 274 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.219 274 G C 1.437 176.143 174.900 -0.323 0.000 1.135 274 G CA 0.897 45.778 45.100 -0.365 0.000 0.767 274 G HN 0.176 nan 8.290 nan 0.000 0.550 275 D N 0.356 120.572 120.400 -0.307 0.000 2.078 275 D HA -0.109 4.530 4.640 -0.001 0.000 0.193 275 D C 2.689 178.832 176.300 -0.261 0.000 0.990 275 D CA 1.188 55.034 54.000 -0.258 0.000 0.827 275 D CB -0.413 40.281 40.800 -0.176 0.000 0.975 275 D HN 0.149 nan 8.370 nan 0.000 0.451 276 V N 0.823 120.513 119.914 -0.373 0.000 2.307 276 V HA -0.180 3.939 4.120 -0.001 0.000 0.245 276 V C 2.524 178.497 176.094 -0.202 0.000 1.045 276 V CA 1.498 63.613 62.300 -0.309 0.000 1.024 276 V CB -0.570 30.994 31.823 -0.432 0.000 0.651 276 V HN 0.259 nan 8.190 nan 0.000 0.449 277 Q N 0.559 120.210 119.800 -0.248 0.000 2.224 277 Q HA -0.109 4.231 4.340 -0.001 0.000 0.203 277 Q C 2.508 178.411 176.000 -0.162 0.000 0.970 277 Q CA 1.709 57.388 55.803 -0.207 0.000 0.865 277 Q CB -0.670 27.805 28.738 -0.439 0.000 0.922 277 Q HN 0.826 nan 8.270 nan 0.000 0.445 278 S N 0.530 116.113 115.700 -0.195 0.000 2.423 278 S HA -0.123 4.346 4.470 -0.001 0.000 0.231 278 S C 1.273 175.853 174.600 -0.033 0.000 1.014 278 S CA 1.176 59.307 58.200 -0.116 0.000 0.965 278 S CB -0.043 63.075 63.200 -0.137 0.000 0.785 278 S HN 0.141 nan 8.310 nan 0.000 0.495 279 D N 1.418 121.795 120.400 -0.039 0.000 2.137 279 D HA 0.037 4.676 4.640 -0.001 0.000 0.202 279 D C 2.140 178.467 176.300 0.045 0.000 0.970 279 D CA 1.189 55.191 54.000 0.003 0.000 0.837 279 D CB -0.482 40.308 40.800 -0.017 0.000 0.981 279 D HN 0.425 nan 8.370 nan 0.000 0.475 280 S N -0.544 115.185 115.700 0.049 0.000 2.368 280 S HA -0.106 4.363 4.470 -0.001 0.000 0.225 280 S C 2.040 176.762 174.600 0.202 0.000 1.030 280 S CA 0.854 59.117 58.200 0.105 0.000 0.999 280 S CB -0.249 63.018 63.200 0.112 0.000 0.844 280 S HN 0.033 nan 8.310 nan 0.000 0.459 281 V N 1.998 122.044 119.914 0.220 0.000 2.358 281 V HA -0.091 4.028 4.120 -0.001 0.000 0.246 281 V C 2.821 179.148 176.094 0.388 0.000 1.047 281 V CA 1.672 64.171 62.300 0.331 0.000 1.035 281 V CB -1.254 30.675 31.823 0.176 0.000 0.658 281 V HN 0.602 nan 8.190 nan 0.000 0.452 282 A N -0.499 122.458 122.820 0.228 0.000 1.902 282 A HA -0.287 4.032 4.320 -0.001 0.000 0.217 282 A C 2.166 179.871 177.584 0.202 0.000 1.181 282 A CA 2.112 54.269 52.037 0.199 0.000 0.623 282 A CB -0.528 18.532 19.000 0.099 0.000 0.818 282 A HN 0.520 nan 8.150 nan 0.000 0.443 283 Q N -0.048 119.841 119.800 0.149 0.000 2.167 283 Q HA -0.002 4.337 4.340 -0.001 0.000 0.202 283 Q C 1.887 177.946 176.000 0.099 0.000 0.970 283 Q CA 1.848 57.709 55.803 0.096 0.000 0.855 283 Q CB -0.920 27.851 28.738 0.056 0.000 0.911 283 Q HN 0.511 nan 8.270 nan 0.000 0.438 284 G N -1.049 107.846 108.800 0.160 0.000 2.418 284 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.217 284 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.217 284 G C 0.907 175.808 174.900 0.001 0.000 1.158 284 G CA 0.851 45.967 45.100 0.026 0.000 0.771 284 G HN 0.464 nan 8.290 nan 0.000 0.545 285 Y N 0.334 120.771 120.300 0.228 0.000 2.516 285 Y HA 0.257 4.806 4.550 -0.001 0.000 0.291 285 Y C 2.313 178.253 175.900 0.068 0.000 1.131 285 Y CA 0.829 59.033 58.100 0.172 0.000 1.281 285 Y CB 0.560 39.125 38.460 0.176 0.000 1.013 285 Y HN 0.357 nan 8.280 nan 0.000 0.554 286 G N -1.943 106.963 108.800 0.176 0.000 4.205 286 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.200 286 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.200 286 G C -0.212 174.717 174.900 0.048 0.000 1.190 286 G CA 0.122 45.273 45.100 0.085 0.000 0.861 286 G HN 0.180 nan 8.290 nan 0.000 0.326 287 S N -0.832 114.901 115.700 0.056 0.000 2.537 287 S HA 0.530 4.999 4.470 -0.001 0.000 0.271 287 S C 0.723 175.341 174.600 0.029 0.000 1.148 287 S CA -0.345 57.867 58.200 0.019 0.000 0.868 287 S CB 1.049 64.239 63.200 -0.017 0.000 1.115 287 S HN 0.481 nan 8.310 nan 0.000 0.461 288 L N 3.009 124.240 121.223 0.014 0.000 2.353 288 L HA 0.079 4.418 4.340 -0.001 0.000 0.220 288 L C 2.370 179.290 176.870 0.084 0.000 1.133 288 L CA 1.442 56.308 54.840 0.043 0.000 0.798 288 L CB -0.594 41.474 42.059 0.015 0.000 0.922 288 L HN 0.890 nan 8.230 nan 0.000 0.445 289 G N -0.879 107.927 108.800 0.010 0.000 2.744 289 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.211 289 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.211 289 G C 0.937 175.864 174.900 0.044 0.000 1.143 289 G CA -0.006 45.117 45.100 0.038 0.000 0.788 289 G HN 0.100 nan 8.290 nan 0.000 0.534 290 M N 0.846 120.449 119.600 0.005 0.000 2.561 290 M HA 0.559 5.039 4.480 -0.001 0.000 0.266 290 M C -0.553 175.699 176.300 -0.079 0.000 1.080 290 M CA -0.063 55.197 55.300 -0.067 0.000 0.993 290 M CB 0.351 32.915 32.600 -0.061 0.000 1.303 290 M HN 0.178 nan 8.290 nan 0.000 0.462 291 M N 1.588 121.138 119.600 -0.084 0.000 2.426 291 M HA 0.461 4.940 4.480 -0.001 0.000 0.289 291 M C -1.121 175.142 176.300 -0.061 0.000 1.168 291 M CA -0.192 55.063 55.300 -0.074 0.000 0.933 291 M CB 2.435 35.024 32.600 -0.018 0.000 1.750 291 M HN 0.483 nan 8.290 nan 0.000 0.494 292 T N 0.215 114.742 114.554 -0.044 0.000 2.929 292 T HA 0.753 5.102 4.350 -0.001 0.000 0.284 292 T C -0.492 174.220 174.700 0.019 0.000 1.014 292 T CA -0.756 61.358 62.100 0.023 0.000 1.051 292 T CB 1.662 70.576 68.868 0.075 0.000 1.028 292 T HN 0.618 nan 8.240 nan 0.000 0.485 293 S N 0.990 116.707 115.700 0.028 0.000 2.750 293 S HA 0.554 5.024 4.470 -0.001 0.000 0.276 293 S C -1.467 173.143 174.600 0.016 0.000 1.165 293 S CA -0.663 57.541 58.200 0.007 0.000 1.047 293 S CB 0.544 63.720 63.200 -0.040 0.000 1.056 293 S HN 0.746 nan 8.310 nan 0.000 0.481 294 V N 5.362 125.302 119.914 0.044 0.000 2.525 294 V HA 0.524 4.643 4.120 -0.001 0.000 0.299 294 V C -0.450 175.667 176.094 0.039 0.000 1.034 294 V CA -0.837 61.484 62.300 0.036 0.000 0.863 294 V CB 1.603 33.457 31.823 0.051 0.000 0.999 294 V HN 0.817 nan 8.190 nan 0.000 0.423 295 L N 6.798 128.013 121.223 -0.013 0.000 2.315 295 L HA 0.538 4.877 4.340 -0.001 0.000 0.283 295 L C -0.335 176.533 176.870 -0.004 0.000 1.089 295 L CA 0.488 55.312 54.840 -0.027 0.000 0.833 295 L CB 1.159 43.184 42.059 -0.056 0.000 1.170 295 L HN 0.464 nan 8.230 nan 0.000 0.442 296 V N 5.653 125.598 119.914 0.051 0.000 2.328 296 V HA 0.287 4.406 4.120 -0.001 0.000 0.278 296 V C 0.154 176.278 176.094 0.050 0.000 1.021 296 V CA -0.625 61.715 62.300 0.066 0.000 0.838 296 V CB 0.845 32.791 31.823 0.205 0.000 0.999 296 V HN 0.917 nan 8.190 nan 0.000 0.447 297 C N 6.638 125.946 119.300 0.013 0.000 2.595 297 C HA 0.252 4.712 4.460 -0.001 0.000 0.384 297 C C -0.455 174.554 174.990 0.031 0.000 1.289 297 C CA -0.821 58.206 59.018 0.015 0.000 2.372 297 C CB 0.612 28.350 27.740 -0.003 0.000 2.593 297 C HN 0.688 nan 8.230 nan 0.000 0.639 298 P HA -0.114 nan 4.420 nan 0.000 0.229 298 P C 0.874 178.184 177.300 0.016 0.000 1.150 298 P CA 1.294 64.410 63.100 0.028 0.000 0.765 298 P CB -0.075 31.633 31.700 0.013 0.000 0.783 299 D N -1.549 118.859 120.400 0.014 0.000 2.289 299 D HA 0.014 4.653 4.640 -0.001 0.000 0.207 299 D C 1.452 177.768 176.300 0.025 0.000 0.966 299 D CA 0.968 54.975 54.000 0.013 0.000 0.868 299 D CB -1.128 39.678 40.800 0.010 0.000 0.943 299 D HN 0.145 nan 8.370 nan 0.000 0.514 300 G N 1.184 110.005 108.800 0.036 0.000 2.176 300 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.252 300 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.252 300 G C 0.685 175.636 174.900 0.084 0.000 1.024 300 G CA 0.800 45.931 45.100 0.052 0.000 0.755 300 G HN 0.596 nan 8.290 nan 0.000 0.507 301 K N -1.604 118.850 120.400 0.089 0.000 2.620 301 K HA 0.159 4.478 4.320 -0.001 0.000 0.208 301 K C 0.457 177.174 176.600 0.196 0.000 1.582 301 K CA 0.726 57.107 56.287 0.156 0.000 1.083 301 K CB 0.648 33.200 32.500 0.086 0.000 1.420 301 K HN 0.260 nan 8.250 nan 0.000 0.582 302 T N 1.142 115.735 114.554 0.065 0.000 2.867 302 T HA 0.539 4.888 4.350 -0.001 0.000 0.282 302 T C -1.013 173.635 174.700 -0.087 0.000 1.000 302 T CA -0.466 61.643 62.100 0.016 0.000 1.042 302 T CB 2.159 71.030 68.868 0.004 0.000 0.973 302 T HN -0.099 nan 8.240 nan 0.000 0.465 303 V N 1.983 121.828 119.914 -0.116 0.000 3.012 303 V HA 0.508 4.628 4.120 -0.001 0.000 0.307 303 V C -0.947 175.096 176.094 -0.086 0.000 1.166 303 V CA -0.851 61.348 62.300 -0.168 0.000 0.974 303 V CB 2.369 33.944 31.823 -0.413 0.000 1.040 303 V HN 0.913 nan 8.190 nan 0.000 0.428 304 E N 2.775 122.931 120.200 -0.073 0.000 2.279 304 E HA 0.687 5.036 4.350 -0.001 0.000 0.252 304 E C -0.760 175.808 176.600 -0.053 0.000 0.894 304 E CA -0.468 55.896 56.400 -0.060 0.000 0.785 304 E CB 1.833 31.495 29.700 -0.064 0.000 1.237 304 E HN 0.887 nan 8.360 nan 0.000 0.418 305 A N 4.303 127.095 122.820 -0.047 0.000 2.316 305 A HA 0.588 4.907 4.320 -0.001 0.000 0.284 305 A C -0.127 177.441 177.584 -0.026 0.000 1.115 305 A CA -0.224 51.799 52.037 -0.024 0.000 0.812 305 A CB 0.658 19.653 19.000 -0.008 0.000 1.064 305 A HN 0.812 nan 8.150 nan 0.000 0.489 306 E N -0.228 119.966 120.200 -0.012 0.000 2.447 306 E HA 0.645 4.994 4.350 -0.001 0.000 0.279 306 E C -1.051 175.530 176.600 -0.032 0.000 1.053 306 E CA -0.886 55.497 56.400 -0.029 0.000 0.840 306 E CB 1.338 30.988 29.700 -0.082 0.000 1.409 306 E HN 0.940 nan 8.360 nan 0.000 0.461 307 A N 0.547 123.308 122.820 -0.098 0.000 2.260 307 A HA 0.666 4.985 4.320 -0.001 0.000 0.314 307 A C 0.735 178.128 177.584 -0.320 0.000 1.257 307 A CA 0.057 51.951 52.037 -0.239 0.000 0.871 307 A CB 0.894 19.659 19.000 -0.393 0.000 1.166 307 A HN 0.787 nan 8.150 nan 0.000 0.522 308 A N 2.434 125.115 122.820 -0.231 0.000 1.933 308 A HA 0.010 4.329 4.320 -0.001 0.000 0.218 308 A C 1.212 178.716 177.584 -0.133 0.000 1.175 308 A CA 1.909 53.854 52.037 -0.153 0.000 0.628 308 A CB -1.107 17.843 19.000 -0.083 0.000 0.814 308 A HN 1.147 nan 8.150 nan 0.000 0.444 309 H N -1.826 117.228 119.070 -0.027 0.000 2.654 309 H HA 0.562 5.118 4.556 -0.001 0.000 0.376 309 H C 0.865 176.170 175.328 -0.038 0.000 1.503 309 H CA -0.598 55.429 56.048 -0.034 0.000 1.464 309 H CB -0.294 29.447 29.762 -0.035 0.000 1.565 309 H HN 0.188 nan 8.280 nan 0.000 0.614 310 G N -1.678 107.277 108.800 0.258 0.000 2.606 310 G HA2 0.264 4.223 3.960 -0.001 0.000 0.262 310 G HA3 0.264 4.223 3.960 -0.001 0.000 0.262 310 G C 0.801 175.813 174.900 0.187 0.000 1.394 310 G CA -0.274 44.913 45.100 0.145 0.000 1.044 310 G HN 0.951 nan 8.290 nan 0.000 0.553 311 T N -2.688 111.900 114.554 0.056 0.000 3.113 311 T HA 0.026 4.375 4.350 -0.001 0.000 0.263 311 T C 0.860 175.556 174.700 -0.007 0.000 1.143 311 T CA 0.684 62.791 62.100 0.012 0.000 1.090 311 T CB -0.432 68.410 68.868 -0.044 0.000 0.922 311 T HN 1.394 nan 8.240 nan 0.000 0.521 312 V N 1.361 121.258 119.914 -0.028 0.000 6.216 312 V HA -0.259 3.861 4.120 -0.001 0.000 0.313 312 V C 1.578 177.681 176.094 0.015 0.000 0.538 312 V CA 0.770 63.006 62.300 -0.107 0.000 0.645 312 V CB -3.453 28.226 31.823 -0.241 0.000 0.287 312 V HN 0.676 nan 8.190 nan 0.000 0.833 313 T N 0.045 114.636 114.554 0.062 0.000 2.699 313 T HA -0.220 4.129 4.350 -0.001 0.000 0.268 313 T C 1.916 176.738 174.700 0.203 0.000 1.036 313 T CA 2.169 64.367 62.100 0.162 0.000 1.147 313 T CB -0.163 68.785 68.868 0.134 0.000 0.862 313 T HN 0.734 nan 8.240 nan 0.000 0.446 314 R N 0.327 120.911 120.500 0.139 0.000 2.103 314 R HA -0.114 4.226 4.340 -0.001 0.000 0.242 314 R C 2.347 178.817 176.300 0.283 0.000 1.142 314 R CA 1.597 57.804 56.100 0.178 0.000 0.960 314 R CB -0.506 29.887 30.300 0.154 0.000 0.858 314 R HN 0.661 nan 8.270 nan 0.000 0.439 315 H N -1.632 117.499 119.070 0.103 0.000 2.395 315 H HA -0.128 4.427 4.556 -0.001 0.000 0.299 315 H C 1.834 177.283 175.328 0.202 0.000 1.070 315 H CA 0.947 57.064 56.048 0.115 0.000 1.356 315 H CB 0.018 29.822 29.762 0.071 0.000 1.401 315 H HN 0.187 nan 8.280 nan 0.000 0.524 316 Y N 2.120 122.554 120.300 0.224 0.000 2.224 316 Y HA -0.187 4.362 4.550 -0.001 0.000 0.289 316 Y C 2.327 178.363 175.900 0.225 0.000 1.146 316 Y CA 0.997 59.225 58.100 0.214 0.000 1.182 316 Y CB -0.058 38.498 38.460 0.160 0.000 0.983 316 Y HN -0.051 nan 8.280 nan 0.000 0.524 317 R N -0.088 120.510 120.500 0.162 0.000 2.083 317 R HA -0.204 4.135 4.340 -0.001 0.000 0.237 317 R C 2.319 178.625 176.300 0.009 0.000 1.137 317 R CA 1.966 58.091 56.100 0.042 0.000 0.951 317 R CB -1.006 29.346 30.300 0.087 0.000 0.851 317 R HN 0.470 nan 8.270 nan 0.000 0.434 318 M N -0.863 118.779 119.600 0.070 0.000 2.065 318 M HA -0.231 4.248 4.480 -0.001 0.000 0.259 318 M C 2.212 178.539 176.300 0.044 0.000 1.069 318 M CA 1.734 57.064 55.300 0.050 0.000 1.110 318 M CB -0.665 31.969 32.600 0.058 0.000 1.328 318 M HN 0.032 nan 8.290 nan 0.000 0.405 319 Y N 1.549 121.833 120.300 -0.027 0.000 2.102 319 Y HA -0.336 4.213 4.550 -0.001 0.000 0.280 319 Y C 2.338 178.171 175.900 -0.111 0.000 1.178 319 Y CA 2.064 60.148 58.100 -0.026 0.000 1.146 319 Y CB -0.507 37.967 38.460 0.023 0.000 0.968 319 Y HN 0.292 nan 8.280 nan 0.000 0.504 320 Q N -0.334 119.332 119.800 -0.225 0.000 2.291 320 Q HA -0.172 4.167 4.340 -0.001 0.000 0.206 320 Q C 1.587 177.464 176.000 -0.203 0.000 0.976 320 Q CA 1.495 57.132 55.803 -0.278 0.000 0.875 320 Q CB -0.106 28.467 28.738 -0.274 0.000 0.927 320 Q HN 0.487 nan 8.270 nan 0.000 0.450 321 K N -1.002 119.308 120.400 -0.150 0.000 2.374 321 K HA 0.126 4.445 4.320 -0.001 0.000 0.196 321 K C 0.645 177.176 176.600 -0.114 0.000 1.023 321 K CA 0.431 56.654 56.287 -0.106 0.000 1.103 321 K CB 0.912 33.375 32.500 -0.061 0.000 0.848 321 K HN 0.276 nan 8.250 nan 0.000 0.528 322 G N 1.891 110.586 108.800 -0.174 0.000 2.136 322 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.242 322 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.242 322 G C -0.309 174.543 174.900 -0.080 0.000 0.989 322 G CA -0.098 44.907 45.100 -0.159 0.000 0.682 322 G HN 0.344 nan 8.290 nan 0.000 0.522 323 Q N 0.058 119.832 119.800 -0.044 0.000 2.235 323 Q HA 0.460 4.799 4.340 -0.001 0.000 0.250 323 Q C 0.265 176.300 176.000 0.060 0.000 0.909 323 Q CA -0.547 55.260 55.803 0.006 0.000 0.910 323 Q CB 1.522 30.264 28.738 0.006 0.000 1.223 323 Q HN 0.498 nan 8.270 nan 0.000 0.432 324 E N 1.824 122.070 120.200 0.077 0.000 2.415 324 E HA 0.008 4.357 4.350 -0.001 0.000 0.263 324 E C -0.679 175.996 176.600 0.124 0.000 0.995 324 E CA -0.020 56.462 56.400 0.136 0.000 0.915 324 E CB 0.647 30.426 29.700 0.130 0.000 0.951 324 E HN 0.589 nan 8.360 nan 0.000 0.449 325 T N 0.888 115.553 114.554 0.185 0.000 2.925 325 T HA 0.407 4.757 4.350 -0.001 0.000 0.285 325 T C -0.106 174.616 174.700 0.036 0.000 1.021 325 T CA -0.895 61.242 62.100 0.062 0.000 1.042 325 T CB 1.721 70.664 68.868 0.126 0.000 1.037 325 T HN 0.197 nan 8.240 nan 0.000 0.481 326 S N 1.401 117.037 115.700 -0.106 0.000 2.293 326 S HA 0.420 4.889 4.470 -0.001 0.000 0.154 326 S C -0.643 173.909 174.600 -0.080 0.000 1.602 326 S CA -0.607 57.538 58.200 -0.091 0.000 1.260 326 S CB -0.147 62.934 63.200 -0.199 0.000 1.270 326 S HN 0.862 nan 8.310 nan 0.000 0.416 327 T N 3.607 118.165 114.554 0.007 0.000 2.767 327 T HA 0.299 4.648 4.350 -0.001 0.000 0.288 327 T C 0.144 174.832 174.700 -0.020 0.000 0.963 327 T CA -0.536 61.617 62.100 0.089 0.000 1.019 327 T CB 0.606 69.555 68.868 0.134 0.000 0.923 327 T HN 0.469 nan 8.240 nan 0.000 0.468 328 N N 4.707 123.373 118.700 -0.057 0.000 2.452 328 N HA 0.056 4.795 4.740 -0.001 0.000 0.266 328 N C -1.358 174.181 175.510 0.049 0.000 1.209 328 N CA -1.532 51.485 53.050 -0.056 0.000 0.929 328 N CB 1.188 39.626 38.487 -0.082 0.000 1.063 328 N HN 0.361 nan 8.380 nan 0.000 0.472 329 P HA 0.073 nan 4.420 nan 0.000 0.264 329 P C 1.465 178.912 177.300 0.245 0.000 1.259 329 P CA -0.033 63.191 63.100 0.206 0.000 0.841 329 P CB 0.649 32.474 31.700 0.208 0.000 1.232 330 I N 1.428 122.147 120.570 0.248 0.000 2.151 330 I HA -0.225 3.944 4.170 -0.001 0.000 0.243 330 I C 2.545 178.799 176.117 0.228 0.000 1.080 330 I CA 1.571 63.016 61.300 0.242 0.000 1.339 330 I CB -1.930 36.153 38.000 0.137 0.000 1.039 330 I HN -0.049 nan 8.210 nan 0.000 0.409 331 A N 0.587 123.515 122.820 0.181 0.000 1.892 331 A HA -0.226 4.093 4.320 -0.001 0.000 0.218 331 A C 2.582 180.315 177.584 0.247 0.000 1.188 331 A CA 2.489 54.630 52.037 0.174 0.000 0.631 331 A CB -0.902 18.234 19.000 0.227 0.000 0.822 331 A HN 0.471 nan 8.150 nan 0.000 0.447 332 S N -0.436 115.450 115.700 0.310 0.000 2.402 332 S HA -0.038 4.431 4.470 -0.001 0.000 0.229 332 S C 1.760 176.595 174.600 0.392 0.000 1.021 332 S CA 1.262 59.694 58.200 0.387 0.000 0.974 332 S CB -0.425 63.039 63.200 0.441 0.000 0.800 332 S HN 0.544 nan 8.310 nan 0.000 0.484 333 I N 0.197 120.963 120.570 0.326 0.000 2.252 333 I HA -0.129 4.040 4.170 -0.001 0.000 0.245 333 I C 1.618 177.919 176.117 0.306 0.000 1.102 333 I CA 1.195 62.655 61.300 0.266 0.000 1.385 333 I CB -0.289 37.841 38.000 0.216 0.000 1.064 333 I HN 0.205 nan 8.210 nan 0.000 0.414 334 F N 1.014 121.034 119.950 0.116 0.000 2.546 334 F HA -0.070 4.456 4.527 -0.001 0.000 0.298 334 F C 2.394 178.251 175.800 0.094 0.000 1.120 334 F CA 0.828 58.878 58.000 0.084 0.000 1.456 334 F CB -0.675 38.357 39.000 0.054 0.000 1.088 334 F HN 0.003 nan 8.300 nan 0.000 0.572 335 A N -1.514 121.474 122.820 0.280 0.000 1.970 335 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 335 A C 1.887 179.504 177.584 0.055 0.000 1.170 335 A CA 0.832 52.962 52.037 0.154 0.000 0.645 335 A CB -0.983 18.126 19.000 0.182 0.000 0.816 335 A HN 0.471 nan 8.150 nan 0.000 0.447 336 W N 0.615 121.930 121.300 0.024 0.000 2.441 336 W HA -0.076 4.583 4.660 -0.001 0.000 0.302 336 W C 2.914 179.424 176.519 -0.016 0.000 1.191 336 W CA 2.121 59.452 57.345 -0.023 0.000 1.327 336 W CB -0.665 28.721 29.460 -0.123 0.000 1.128 336 W HN 0.436 nan 8.180 nan 0.000 0.522 337 T N -1.367 113.263 114.554 0.126 0.000 2.788 337 T HA -0.172 4.177 4.350 -0.001 0.000 0.268 337 T C 1.862 176.549 174.700 -0.022 0.000 1.044 337 T CA 1.242 63.318 62.100 -0.040 0.000 1.139 337 T CB -0.304 68.361 68.868 -0.338 0.000 0.867 337 T HN -0.128 nan 8.240 nan 0.000 0.454 338 R N 1.426 121.927 120.500 0.001 0.000 2.092 338 R HA 0.212 4.552 4.340 -0.001 0.000 0.231 338 R C 2.759 179.098 176.300 0.064 0.000 1.119 338 R CA 1.510 57.630 56.100 0.033 0.000 0.970 338 R CB -1.258 29.081 30.300 0.065 0.000 0.864 338 R HN 0.589 nan 8.270 nan 0.000 0.440 339 G N -0.068 108.766 108.800 0.057 0.000 2.414 339 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.215 339 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.215 339 G C 1.375 176.344 174.900 0.115 0.000 1.188 339 G CA 0.573 45.711 45.100 0.064 0.000 0.783 339 G HN 0.248 nan 8.290 nan 0.000 0.537 340 L N 0.808 122.109 121.223 0.131 0.000 2.079 340 L HA -0.099 4.240 4.340 -0.001 0.000 0.210 340 L C 3.413 180.358 176.870 0.126 0.000 1.081 340 L CA 0.988 55.925 54.840 0.162 0.000 0.752 340 L CB -0.476 41.733 42.059 0.249 0.000 0.896 340 L HN 0.317 nan 8.230 nan 0.000 0.433 341 A N -0.307 122.574 122.820 0.100 0.000 1.858 341 A HA -0.311 4.009 4.320 -0.001 0.000 0.216 341 A C 2.138 179.767 177.584 0.075 0.000 1.190 341 A CA 2.053 54.132 52.037 0.069 0.000 0.617 341 A CB -0.907 18.115 19.000 0.036 0.000 0.827 341 A HN 0.496 nan 8.150 nan 0.000 0.443 342 H N -0.434 118.651 119.070 0.024 0.000 2.387 342 H HA -0.139 4.416 4.556 -0.001 0.000 0.299 342 H C 2.172 177.519 175.328 0.031 0.000 1.099 342 H CA 2.083 58.144 56.048 0.022 0.000 1.315 342 H CB -0.074 29.699 29.762 0.019 0.000 1.380 342 H HN 0.403 nan 8.280 nan 0.000 0.513 343 R N 0.562 121.084 120.500 0.036 0.000 2.083 343 R HA -0.065 4.274 4.340 -0.001 0.000 0.237 343 R C 2.377 178.658 176.300 -0.031 0.000 1.137 343 R CA 1.633 57.737 56.100 0.008 0.000 0.951 343 R CB -0.981 29.365 30.300 0.076 0.000 0.851 343 R HN 0.385 nan 8.270 nan 0.000 0.434 344 A N 1.022 123.842 122.820 0.001 0.000 1.883 344 A HA -0.241 4.079 4.320 -0.001 0.000 0.217 344 A C 2.152 179.712 177.584 -0.041 0.000 1.186 344 A CA 1.952 53.992 52.037 0.005 0.000 0.624 344 A CB -0.739 18.285 19.000 0.039 0.000 0.822 344 A HN 0.489 nan 8.150 nan 0.000 0.444 345 K N -0.213 120.133 120.400 -0.089 0.000 2.032 345 K HA -0.123 4.196 4.320 -0.001 0.000 0.209 345 K C 1.770 178.284 176.600 -0.142 0.000 1.048 345 K CA 1.753 57.969 56.287 -0.119 0.000 0.927 345 K CB -0.371 32.029 32.500 -0.167 0.000 0.712 345 K HN 0.478 nan 8.250 nan 0.000 0.441 346 L N 0.527 121.620 121.223 -0.218 0.000 2.362 346 L HA -0.109 4.231 4.340 -0.001 0.000 0.219 346 L C 0.881 177.710 176.870 -0.069 0.000 1.134 346 L CA 0.695 55.442 54.840 -0.155 0.000 0.807 346 L CB -0.092 41.859 42.059 -0.180 0.000 0.927 346 L HN 0.195 nan 8.230 nan 0.000 0.447 347 D N -0.950 119.419 120.400 -0.051 0.000 2.433 347 D HA 0.057 4.697 4.640 -0.001 0.000 0.211 347 D C 0.021 176.313 176.300 -0.012 0.000 1.114 347 D CA -0.052 53.936 54.000 -0.019 0.000 0.837 347 D CB 0.082 40.880 40.800 -0.002 0.000 0.984 347 D HN 0.158 nan 8.370 nan 0.000 0.505 348 N N 1.475 120.164 118.700 -0.019 0.000 2.725 348 N HA -0.197 4.542 4.740 -0.001 0.000 0.251 348 N C -0.500 175.012 175.510 0.004 0.000 1.031 348 N CA 0.072 53.117 53.050 -0.009 0.000 0.720 348 N CB -0.925 37.557 38.487 -0.008 0.000 0.930 348 N HN 0.077 nan 8.380 nan 0.000 0.543 349 N N 1.280 119.987 118.700 0.011 0.000 2.589 349 N HA 0.099 4.838 4.740 -0.001 0.000 0.232 349 N C 0.969 176.506 175.510 0.046 0.000 1.015 349 N CA -0.371 52.694 53.050 0.026 0.000 0.931 349 N CB 0.910 39.415 38.487 0.030 0.000 1.150 349 N HN 0.376 nan 8.380 nan 0.000 0.512 350 K N 2.429 122.856 120.400 0.045 0.000 2.148 350 K HA -0.032 4.288 4.320 -0.001 0.000 0.204 350 K C 0.882 177.551 176.600 0.116 0.000 1.050 350 K CA 1.067 57.396 56.287 0.070 0.000 0.942 350 K CB 0.217 32.745 32.500 0.046 0.000 0.724 350 K HN 0.399 nan 8.250 nan 0.000 0.446 351 E N 0.836 121.087 120.200 0.086 0.000 2.047 351 E HA -0.154 4.195 4.350 -0.001 0.000 0.191 351 E C 2.000 178.720 176.600 0.200 0.000 0.987 351 E CA 0.996 57.464 56.400 0.113 0.000 0.799 351 E CB -0.117 29.611 29.700 0.046 0.000 0.752 351 E HN 0.201 nan 8.360 nan 0.000 0.449 352 L N 1.096 122.407 121.223 0.146 0.000 2.046 352 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 352 L C 2.213 179.218 176.870 0.224 0.000 1.077 352 L CA 1.972 56.919 54.840 0.178 0.000 0.747 352 L CB -0.624 41.502 42.059 0.112 0.000 0.896 352 L HN 0.037 nan 8.230 nan 0.000 0.432 353 A N -1.097 121.818 122.820 0.158 0.000 1.933 353 A HA -0.277 4.042 4.320 -0.001 0.000 0.218 353 A C 2.291 179.943 177.584 0.112 0.000 1.175 353 A CA 1.891 53.995 52.037 0.112 0.000 0.628 353 A CB -1.175 17.872 19.000 0.079 0.000 0.814 353 A HN 0.556 nan 8.150 nan 0.000 0.444 354 F N -0.684 119.296 119.950 0.049 0.000 2.146 354 F HA -0.121 4.406 4.527 -0.001 0.000 0.298 354 F C 1.896 177.711 175.800 0.025 0.000 1.096 354 F CA 1.877 59.892 58.000 0.026 0.000 1.275 354 F CB -0.357 38.663 39.000 0.033 0.000 1.008 354 F HN 0.302 nan 8.300 nan 0.000 0.480 355 F N 0.970 120.997 119.950 0.127 0.000 2.102 355 F HA -0.121 4.406 4.527 -0.001 0.000 0.298 355 F C 2.297 178.029 175.800 -0.114 0.000 1.105 355 F CA 1.643 59.652 58.000 0.015 0.000 1.239 355 F CB -1.052 37.985 39.000 0.063 0.000 0.991 355 F HN -0.002 nan 8.300 nan 0.000 0.474 356 A N 0.585 123.347 122.820 -0.097 0.000 1.883 356 A HA -0.295 4.024 4.320 -0.001 0.000 0.217 356 A C 2.313 179.671 177.584 -0.377 0.000 1.186 356 A CA 1.979 53.878 52.037 -0.230 0.000 0.624 356 A CB -1.385 17.597 19.000 -0.029 0.000 0.822 356 A HN 0.631 nan 8.150 nan 0.000 0.444 357 N N 0.316 118.821 118.700 -0.325 0.000 2.188 357 N HA -0.126 4.613 4.740 -0.001 0.000 0.184 357 N C 1.940 177.188 175.510 -0.437 0.000 1.018 357 N CA 1.479 54.320 53.050 -0.349 0.000 0.858 357 N CB -0.258 38.048 38.487 -0.302 0.000 0.989 357 N HN 0.365 nan 8.380 nan 0.000 0.426 358 A N 1.486 123.965 122.820 -0.568 0.000 1.908 358 A HA -0.148 4.171 4.320 -0.001 0.000 0.218 358 A C 2.184 179.490 177.584 -0.463 0.000 1.181 358 A CA 1.110 52.824 52.037 -0.538 0.000 0.627 358 A CB -0.818 17.847 19.000 -0.559 0.000 0.818 358 A HN 0.380 nan 8.150 nan 0.000 0.445 359 L N 0.002 120.862 121.223 -0.605 0.000 2.093 359 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 359 L C 2.074 178.709 176.870 -0.393 0.000 1.085 359 L CA 2.243 56.764 54.840 -0.532 0.000 0.755 359 L CB -0.750 40.894 42.059 -0.691 0.000 0.904 359 L HN 0.525 nan 8.230 nan 0.000 0.435 360 E N -0.313 119.613 120.200 -0.457 0.000 2.072 360 E HA -0.242 4.107 4.350 -0.001 0.000 0.191 360 E C 1.928 178.460 176.600 -0.114 0.000 0.985 360 E CA 1.462 57.597 56.400 -0.441 0.000 0.801 360 E CB -0.055 29.302 29.700 -0.571 0.000 0.750 360 E HN 0.757 nan 8.360 nan 0.000 0.452 361 E N 0.428 120.539 120.200 -0.149 0.000 2.208 361 E HA -0.106 4.244 4.350 -0.001 0.000 0.193 361 E C 2.095 178.662 176.600 -0.054 0.000 0.988 361 E CA 0.802 57.159 56.400 -0.071 0.000 0.828 361 E CB -0.092 29.545 29.700 -0.105 0.000 0.763 361 E HN 0.040 nan 8.360 nan 0.000 0.478 362 V N 1.548 121.397 119.914 -0.109 0.000 2.427 362 V HA -0.233 3.886 4.120 -0.001 0.000 0.248 362 V C 2.320 178.391 176.094 -0.039 0.000 1.051 362 V CA 1.956 64.198 62.300 -0.096 0.000 1.048 362 V CB -0.289 31.438 31.823 -0.159 0.000 0.666 362 V HN 0.289 nan 8.190 nan 0.000 0.456 363 S N 0.013 115.716 115.700 0.004 0.000 2.356 363 S HA -0.102 4.367 4.470 -0.001 0.000 0.223 363 S C 1.877 176.570 174.600 0.154 0.000 1.032 363 S CA 1.640 59.904 58.200 0.107 0.000 1.005 363 S CB -0.278 63.088 63.200 0.276 0.000 0.867 363 S HN 0.506 nan 8.310 nan 0.000 0.449 364 I N 1.362 122.021 120.570 0.148 0.000 2.252 364 I HA -0.154 4.015 4.170 -0.001 0.000 0.245 364 I C 2.525 178.704 176.117 0.103 0.000 1.102 364 I CA 1.155 62.531 61.300 0.126 0.000 1.385 364 I CB -0.368 37.700 38.000 0.113 0.000 1.064 364 I HN 0.300 nan 8.210 nan 0.000 0.414 365 E N 0.360 120.603 120.200 0.072 0.000 2.085 365 E HA -0.192 4.157 4.350 -0.001 0.000 0.194 365 E C 2.119 178.782 176.600 0.106 0.000 0.994 365 E CA 1.914 58.354 56.400 0.065 0.000 0.801 365 E CB -0.075 29.640 29.700 0.025 0.000 0.743 365 E HN 0.445 nan 8.360 nan 0.000 0.453 366 T N 1.146 115.763 114.554 0.104 0.000 2.674 366 T HA -0.150 4.200 4.350 -0.001 0.000 0.265 366 T C 1.957 176.846 174.700 0.316 0.000 1.039 366 T CA 1.087 63.284 62.100 0.162 0.000 1.150 366 T CB -0.210 68.695 68.868 0.061 0.000 0.864 366 T HN 0.120 nan 8.240 nan 0.000 0.427 367 I N 0.993 121.734 120.570 0.284 0.000 2.226 367 I HA -0.142 4.027 4.170 -0.001 0.000 0.245 367 I C 2.567 178.789 176.117 0.175 0.000 1.100 367 I CA 1.378 62.834 61.300 0.260 0.000 1.374 367 I CB -0.451 37.669 38.000 0.201 0.000 1.057 367 I HN 0.327 nan 8.210 nan 0.000 0.413 368 E N 0.982 121.267 120.200 0.142 0.000 2.268 368 E HA -0.141 4.208 4.350 -0.001 0.000 0.195 368 E C 2.106 178.771 176.600 0.109 0.000 0.995 368 E CA 0.993 57.454 56.400 0.101 0.000 0.836 368 E CB -0.106 29.643 29.700 0.082 0.000 0.763 368 E HN 0.505 nan 8.360 nan 0.000 0.491 369 A N 0.286 123.211 122.820 0.175 0.000 2.206 369 A HA 0.206 4.525 4.320 -0.001 0.000 0.211 369 A C 1.767 179.422 177.584 0.117 0.000 1.158 369 A CA 0.963 53.127 52.037 0.211 0.000 0.761 369 A CB -0.056 19.151 19.000 0.345 0.000 0.801 369 A HN 0.348 nan 8.150 nan 0.000 0.473 370 G N -2.445 106.387 108.800 0.054 0.000 2.192 370 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.193 370 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.193 370 G C -0.155 174.548 174.900 -0.329 0.000 0.999 370 G CA -0.158 44.827 45.100 -0.192 0.000 0.659 370 G HN 0.342 nan 8.290 nan 0.000 0.503 371 F N 1.968 122.000 119.950 0.137 0.000 2.361 371 F HA 0.812 5.338 4.527 -0.001 0.000 0.364 371 F C 0.726 176.701 175.800 0.292 0.000 1.117 371 F CA -0.616 57.509 58.000 0.208 0.000 1.071 371 F CB 1.186 40.319 39.000 0.222 0.000 1.188 371 F HN 0.281 nan 8.300 nan 0.000 0.464 372 M N 0.312 120.051 119.600 0.233 0.000 2.683 372 M HA 0.667 5.146 4.480 -0.001 0.000 0.274 372 M C -0.779 175.359 176.300 -0.271 0.000 1.272 372 M CA -0.945 54.286 55.300 -0.116 0.000 0.833 372 M CB 2.200 34.768 32.600 -0.054 0.000 1.708 372 M HN 0.362 nan 8.290 nan 0.000 0.463 373 T N -1.816 112.404 114.554 -0.558 0.000 2.849 373 T HA 0.291 4.640 4.350 -0.001 0.000 0.284 373 T C 0.773 175.304 174.700 -0.282 0.000 1.004 373 T CA -0.559 61.314 62.100 -0.378 0.000 1.021 373 T CB 1.665 70.270 68.868 -0.438 0.000 1.013 373 T HN 0.934 nan 8.240 nan 0.000 0.527 374 K N 0.732 120.841 120.400 -0.485 0.000 2.113 374 K HA -0.235 4.084 4.320 -0.001 0.000 0.208 374 K C 1.856 178.257 176.600 -0.332 0.000 1.047 374 K CA 2.166 58.027 56.287 -0.710 0.000 0.928 374 K CB -0.393 31.458 32.500 -1.082 0.000 0.716 374 K HN 0.821 nan 8.250 nan 0.000 0.446 375 D N 0.858 121.120 120.400 -0.231 0.000 2.123 375 D HA -0.238 4.401 4.640 -0.001 0.000 0.196 375 D C 2.011 178.249 176.300 -0.103 0.000 0.992 375 D CA 1.316 55.235 54.000 -0.134 0.000 0.833 375 D CB -0.604 40.137 40.800 -0.098 0.000 0.954 375 D HN 0.340 nan 8.370 nan 0.000 0.455 376 L N 0.381 121.538 121.223 -0.111 0.000 2.156 376 L HA 0.018 4.357 4.340 -0.001 0.000 0.208 376 L C 2.871 179.714 176.870 -0.046 0.000 1.095 376 L CA 0.883 55.682 54.840 -0.068 0.000 0.770 376 L CB -0.487 41.529 42.059 -0.071 0.000 0.914 376 L HN 0.060 nan 8.230 nan 0.000 0.439 377 A N 0.395 123.184 122.820 -0.051 0.000 1.930 377 A HA -0.098 4.221 4.320 -0.001 0.000 0.217 377 A C 2.501 180.079 177.584 -0.010 0.000 1.175 377 A CA 1.527 53.562 52.037 -0.002 0.000 0.627 377 A CB -0.511 18.532 19.000 0.072 0.000 0.815 377 A HN 0.371 nan 8.150 nan 0.000 0.443 378 A N -1.336 121.460 122.820 -0.041 0.000 2.121 378 A HA -0.070 4.249 4.320 -0.001 0.000 0.218 378 A C 2.134 179.702 177.584 -0.026 0.000 1.154 378 A CA 1.432 53.449 52.037 -0.034 0.000 0.679 378 A CB -1.013 17.955 19.000 -0.054 0.000 0.795 378 A HN 0.589 nan 8.150 nan 0.000 0.458 379 C N -0.905 118.380 119.300 -0.026 0.000 2.466 379 C HA 0.048 4.507 4.460 -0.001 0.000 0.278 379 C C 2.508 177.489 174.990 -0.014 0.000 1.288 379 C CA 0.687 59.694 59.018 -0.019 0.000 1.722 379 C CB -1.111 26.623 27.740 -0.011 0.000 2.017 379 C HN 0.639 nan 8.230 nan 0.000 0.488 380 I N 0.327 120.892 120.570 -0.009 0.000 2.141 380 I HA -0.074 4.096 4.170 -0.001 0.000 0.236 380 I C 1.225 177.338 176.117 -0.006 0.000 1.071 380 I CA 1.269 62.566 61.300 -0.005 0.000 1.345 380 I CB -0.369 37.630 38.000 -0.002 0.000 1.066 380 I HN 0.269 nan 8.210 nan 0.000 0.406 381 K N 1.334 121.733 120.400 -0.002 0.000 2.148 381 K HA 0.374 4.693 4.320 -0.001 0.000 0.239 381 K C 0.035 176.632 176.600 -0.006 0.000 1.018 381 K CA -0.383 55.903 56.287 -0.001 0.000 0.923 381 K CB 0.295 32.801 32.500 0.009 0.000 1.117 381 K HN 0.102 nan 8.250 nan 0.000 0.477 382 G N 0.460 109.256 108.800 -0.006 0.000 2.507 382 G HA2 0.124 4.083 3.960 -0.001 0.000 0.271 382 G HA3 0.124 4.083 3.960 -0.001 0.000 0.271 382 G C 0.904 175.800 174.900 -0.007 0.000 1.189 382 G CA -0.607 44.487 45.100 -0.011 0.000 0.859 382 G HN 0.464 nan 8.290 nan 0.000 0.542 383 L N 1.685 122.900 121.223 -0.013 0.000 2.043 383 L HA -0.027 4.312 4.340 -0.001 0.000 0.212 383 L C -0.239 176.630 176.870 -0.002 0.000 1.075 383 L CA 2.095 56.927 54.840 -0.013 0.000 0.752 383 L CB -1.449 40.598 42.059 -0.019 0.000 0.891 383 L HN 0.301 nan 8.230 nan 0.000 0.432 384 P HA -0.073 nan 4.420 nan 0.000 0.222 384 P C 0.492 177.796 177.300 0.008 0.000 1.147 384 P CA 1.328 64.430 63.100 0.002 0.000 0.790 384 P CB -0.010 31.688 31.700 -0.003 0.000 0.780 385 N N -2.021 116.685 118.700 0.008 0.000 2.205 385 N HA 0.057 4.796 4.740 -0.001 0.000 0.201 385 N C -0.407 175.118 175.510 0.025 0.000 1.128 385 N CA -0.042 53.015 53.050 0.012 0.000 0.867 385 N CB 0.137 38.627 38.487 0.005 0.000 0.996 385 N HN -0.096 nan 8.380 nan 0.000 0.503 386 V N 2.018 121.955 119.914 0.039 0.000 2.585 386 V HA 0.043 4.162 4.120 -0.001 0.000 0.296 386 V C 0.164 176.317 176.094 0.099 0.000 1.035 386 V CA 0.053 62.401 62.300 0.079 0.000 1.084 386 V CB 0.754 32.634 31.823 0.095 0.000 0.953 386 V HN 0.229 nan 8.190 nan 0.000 0.483 387 Q N 3.174 123.024 119.800 0.084 0.000 2.248 387 Q HA 0.404 4.743 4.340 -0.001 0.000 0.263 387 Q C 0.916 176.895 176.000 -0.036 0.000 1.007 387 Q CA -0.947 54.876 55.803 0.032 0.000 0.877 387 Q CB 1.468 30.200 28.738 -0.010 0.000 1.315 387 Q HN 0.562 nan 8.270 nan 0.000 0.454 388 R N 1.171 121.599 120.500 -0.121 0.000 2.139 388 R HA -0.149 4.190 4.340 -0.001 0.000 0.243 388 R C 1.691 177.683 176.300 -0.514 0.000 1.145 388 R CA 2.239 58.106 56.100 -0.388 0.000 0.976 388 R CB -0.455 29.724 30.300 -0.203 0.000 0.866 388 R HN 0.719 nan 8.270 nan 0.000 0.449 389 S N -0.544 115.003 115.700 -0.255 0.000 2.474 389 S HA -0.063 4.406 4.470 -0.001 0.000 0.235 389 S C 1.059 175.554 174.600 -0.176 0.000 0.997 389 S CA 1.020 59.107 58.200 -0.189 0.000 0.949 389 S CB -0.105 63.034 63.200 -0.102 0.000 0.766 389 S HN 0.325 nan 8.310 nan 0.000 0.517 390 D N 0.681 120.989 120.400 -0.153 0.000 2.363 390 D HA 0.124 4.763 4.640 -0.001 0.000 0.220 390 D C 0.288 176.615 176.300 0.044 0.000 0.994 390 D CA 0.647 54.629 54.000 -0.031 0.000 0.890 390 D CB 0.005 40.848 40.800 0.073 0.000 0.906 390 D HN 0.769 nan 8.370 nan 0.000 0.530 391 Y N -1.822 118.468 120.300 -0.017 0.000 2.638 391 Y HA 0.527 5.076 4.550 -0.001 0.000 0.335 391 Y C -1.432 174.492 175.900 0.040 0.000 1.155 391 Y CA -1.452 56.644 58.100 -0.007 0.000 1.046 391 Y CB 0.586 39.023 38.460 -0.039 0.000 1.303 391 Y HN -0.359 nan 8.280 nan 0.000 0.460 392 L N 3.101 124.505 121.223 0.302 0.000 2.344 392 L HA 0.474 4.813 4.340 -0.001 0.000 0.272 392 L C 0.233 177.315 176.870 0.353 0.000 1.035 392 L CA -1.049 53.957 54.840 0.278 0.000 0.807 392 L CB 1.502 43.770 42.059 0.348 0.000 1.237 392 L HN 0.919 nan 8.230 nan 0.000 0.442 393 N N -0.629 118.249 118.700 0.298 0.000 2.379 393 N HA 0.123 4.862 4.740 -0.001 0.000 0.260 393 N C 0.393 176.028 175.510 0.208 0.000 1.254 393 N CA -0.526 52.690 53.050 0.276 0.000 0.958 393 N CB 0.751 39.415 38.487 0.295 0.000 1.208 393 N HN 0.499 nan 8.380 nan 0.000 0.532 394 T N 0.351 114.950 114.554 0.075 0.000 2.620 394 T HA -0.199 4.150 4.350 -0.001 0.000 0.267 394 T C 1.349 175.932 174.700 -0.194 0.000 1.044 394 T CA 1.908 63.904 62.100 -0.172 0.000 1.161 394 T CB -0.527 68.000 68.868 -0.569 0.000 0.862 394 T HN 0.500 nan 8.240 nan 0.000 0.438 395 F N 1.184 121.230 119.950 0.161 0.000 2.416 395 F HA 0.182 4.708 4.527 -0.001 0.000 0.296 395 F C 2.431 178.309 175.800 0.130 0.000 1.099 395 F CA 0.253 58.331 58.000 0.130 0.000 1.427 395 F CB -0.546 38.519 39.000 0.109 0.000 1.079 395 F HN 0.199 nan 8.300 nan 0.000 0.536 396 E N -0.105 120.292 120.200 0.329 0.000 2.106 396 E HA -0.192 4.157 4.350 -0.001 0.000 0.192 396 E C 1.888 178.633 176.600 0.241 0.000 0.984 396 E CA 1.071 57.619 56.400 0.247 0.000 0.806 396 E CB -0.350 29.494 29.700 0.239 0.000 0.750 396 E HN 0.375 nan 8.360 nan 0.000 0.458 397 F N 1.080 121.095 119.950 0.107 0.000 2.186 397 F HA -0.141 4.385 4.527 -0.001 0.000 0.299 397 F C 2.080 177.907 175.800 0.045 0.000 1.090 397 F CA 1.078 59.127 58.000 0.083 0.000 1.307 397 F CB 0.052 39.098 39.000 0.076 0.000 1.019 397 F HN -0.046 nan 8.300 nan 0.000 0.489 398 M N -0.025 119.585 119.600 0.016 0.000 2.175 398 M HA -0.173 4.306 4.480 -0.001 0.000 0.264 398 M C 1.787 178.026 176.300 -0.101 0.000 1.063 398 M CA 1.289 56.533 55.300 -0.094 0.000 1.119 398 M CB -1.230 31.368 32.600 -0.004 0.000 1.377 398 M HN 0.115 nan 8.290 nan 0.000 0.415 399 D N 0.162 120.550 120.400 -0.020 0.000 2.084 399 D HA -0.167 4.472 4.640 -0.001 0.000 0.194 399 D C 1.957 178.203 176.300 -0.089 0.000 0.990 399 D CA 1.243 55.230 54.000 -0.021 0.000 0.826 399 D CB -0.148 40.673 40.800 0.034 0.000 0.971 399 D HN 0.150 nan 8.370 nan 0.000 0.453 400 K N 1.115 121.441 120.400 -0.124 0.000 2.032 400 K HA -0.087 4.232 4.320 -0.001 0.000 0.209 400 K C 2.286 178.726 176.600 -0.267 0.000 1.048 400 K CA 0.814 56.976 56.287 -0.208 0.000 0.927 400 K CB -0.669 31.699 32.500 -0.219 0.000 0.712 400 K HN 0.099 nan 8.250 nan 0.000 0.441 401 L N -0.528 120.479 121.223 -0.361 0.000 2.012 401 L HA -0.156 4.183 4.340 -0.001 0.000 0.210 401 L C 2.415 179.166 176.870 -0.198 0.000 1.073 401 L CA 1.645 56.283 54.840 -0.337 0.000 0.748 401 L CB -1.011 40.793 42.059 -0.425 0.000 0.891 401 L HN 0.497 nan 8.230 nan 0.000 0.431 402 G N -0.615 108.097 108.800 -0.147 0.000 2.446 402 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.217 402 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.217 402 G C 1.434 176.308 174.900 -0.044 0.000 1.168 402 G CA 0.555 45.616 45.100 -0.065 0.000 0.771 402 G HN 0.289 nan 8.290 nan 0.000 0.551 403 E N 0.967 121.124 120.200 -0.071 0.000 2.051 403 E HA -0.103 4.247 4.350 -0.001 0.000 0.192 403 E C 2.350 178.905 176.600 -0.075 0.000 0.991 403 E CA 0.879 57.243 56.400 -0.060 0.000 0.799 403 E CB -0.703 28.949 29.700 -0.081 0.000 0.748 403 E HN 0.586 nan 8.360 nan 0.000 0.449 404 N N 0.528 119.156 118.700 -0.120 0.000 2.149 404 N HA -0.170 4.569 4.740 -0.001 0.000 0.188 404 N C 1.880 177.323 175.510 -0.110 0.000 1.019 404 N CA 0.606 53.583 53.050 -0.121 0.000 0.857 404 N CB -0.104 38.293 38.487 -0.150 0.000 0.997 404 N HN -0.008 nan 8.380 nan 0.000 0.426 405 L N 1.883 123.033 121.223 -0.122 0.000 2.056 405 L HA -0.094 4.245 4.340 -0.001 0.000 0.207 405 L C 2.102 178.882 176.870 -0.149 0.000 1.078 405 L CA 1.711 56.454 54.840 -0.162 0.000 0.749 405 L CB -0.413 41.542 42.059 -0.173 0.000 0.901 405 L HN -0.030 nan 8.230 nan 0.000 0.433 406 K N -0.438 119.935 120.400 -0.044 0.000 2.097 406 K HA -0.143 4.176 4.320 -0.001 0.000 0.206 406 K C 2.035 178.637 176.600 0.005 0.000 1.049 406 K CA 1.786 58.098 56.287 0.041 0.000 0.933 406 K CB -0.176 32.392 32.500 0.114 0.000 0.717 406 K HN 0.436 nan 8.250 nan 0.000 0.442 407 I N 0.777 121.334 120.570 -0.022 0.000 2.286 407 I HA -0.243 3.926 4.170 -0.001 0.000 0.245 407 I C 2.444 178.549 176.117 -0.020 0.000 1.104 407 I CA 1.086 62.375 61.300 -0.018 0.000 1.397 407 I CB -0.220 37.762 38.000 -0.030 0.000 1.072 407 I HN 0.197 nan 8.210 nan 0.000 0.417 408 K N 1.773 122.146 120.400 -0.045 0.000 2.057 408 K HA -0.122 4.197 4.320 -0.001 0.000 0.206 408 K C 2.124 178.726 176.600 0.004 0.000 1.050 408 K CA 1.300 57.568 56.287 -0.032 0.000 0.935 408 K CB -0.093 32.361 32.500 -0.076 0.000 0.715 408 K HN 0.233 nan 8.250 nan 0.000 0.439 409 L N 0.584 121.788 121.223 -0.032 0.000 2.093 409 L HA -0.097 4.243 4.340 -0.001 0.000 0.208 409 L C 2.705 179.596 176.870 0.036 0.000 1.085 409 L CA 1.091 55.936 54.840 0.010 0.000 0.755 409 L CB -0.618 41.371 42.059 -0.116 0.000 0.904 409 L HN 0.337 nan 8.230 nan 0.000 0.435 410 A N -0.365 122.472 122.820 0.028 0.000 1.877 410 A HA -0.278 4.041 4.320 -0.001 0.000 0.216 410 A C 2.275 179.873 177.584 0.024 0.000 1.186 410 A CA 1.747 53.804 52.037 0.033 0.000 0.620 410 A CB -0.592 18.427 19.000 0.033 0.000 0.822 410 A HN 0.465 nan 8.150 nan 0.000 0.443 411 Q N -0.586 119.228 119.800 0.023 0.000 2.135 411 Q HA -0.171 4.168 4.340 -0.001 0.000 0.204 411 Q C 2.153 178.171 176.000 0.030 0.000 0.981 411 Q CA 1.666 57.483 55.803 0.024 0.000 0.856 411 Q CB -0.315 28.438 28.738 0.024 0.000 0.902 411 Q HN 0.634 nan 8.270 nan 0.000 0.425 412 A N 0.865 123.714 122.820 0.048 0.000 1.872 412 A HA -0.152 4.167 4.320 -0.001 0.000 0.214 412 A C 1.988 179.548 177.584 -0.041 0.000 1.187 412 A CA 1.267 53.322 52.037 0.030 0.000 0.614 412 A CB -0.305 18.752 19.000 0.095 0.000 0.826 412 A HN 0.166 nan 8.150 nan 0.000 0.442 413 K N -0.270 120.114 120.400 -0.027 0.000 1.991 413 K HA -0.056 4.263 4.320 -0.001 0.000 0.212 413 K C 0.924 177.508 176.600 -0.026 0.000 1.049 413 K CA 0.518 56.784 56.287 -0.035 0.000 0.932 413 K CB -1.187 31.310 32.500 -0.006 0.000 0.717 413 K HN 0.351 nan 8.250 nan 0.000 0.441 414 L N 0.000 121.218 121.223 -0.009 0.000 2.949 414 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 414 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 414 L CB 0.000 42.060 42.059 0.002 0.000 0.961 414 L HN 0.000 nan 8.230 nan 0.000 0.502