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 3bly_1_A DATA FIRST_RESID 46 DATA SEQUENCE KYDVVIVGSG PIGCTYAREL VGAGYKVAMF DIGEIDSGLK IGAHKKNTVE DATA SEQUENCE YQKNIDKFVN VIQGQLMSVS VPVNTLVVDT LSPTSWQAST FFVRNGSNPE DATA SEQUENCE QDPLRNLSGQ AVTRVVGGMS THWTCATPRF DREQRPLLVK DDADADDAEW DATA SEQUENCE DRLYTKAESY FQTGTDQFKE SIRHNLVLNK LTEEYKGQRD FQQIPLAATR DATA SEQUENCE RSPTFVEWSS ANTVFDLQNR PNTDAPEERF NLFPAVACER VVRNALNSEI DATA SEQUENCE ESLHIHDLIS GDRFEIKADV YVLTAGAVHN TQLLVNSGFG QLGRPNPANP DATA SEQUENCE PELLPSLGSY ITEQSLVFCQ TVMSTELIDS VKSDMTIRGT PGELTYSVTY DATA SEQUENCE TPGASTNKHP DWWNEKVKNH MMQHQEDPLP IPFEDPEPQV TTLFQPSHPW DATA SEQUENCE HTQIHRDAFS YGAVQQSIDS RLIVDWRFFG RTEPKEENKL WFSDKITDAY DATA SEQUENCE NMPQPTFDFR FPAGRTSKEA EDMMTDMCVM SAKIGGFLPG SWPQFMKPGL DATA SEQUENCE VLHLGGTHRM GFDEKEDNCC VNTDSRVFGF KNLFLGGCGN IPTAYGANPT DATA SEQUENCE LTAMSLAIKS CEYIKQNFTP SPF 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 46 K HA 0.000 nan 4.320 nan 0.000 0.191 46 K C 0.000 176.293 176.600 -0.512 0.000 0.988 46 K CA 0.000 56.133 56.287 -0.257 0.000 0.838 46 K CB 0.000 32.408 32.500 -0.153 0.000 1.064 47 Y N 1.463 121.741 120.300 -0.036 0.000 2.602 47 Y HA 0.327 4.877 4.550 0.000 0.000 0.342 47 Y C 0.844 176.711 175.900 -0.054 0.000 1.029 47 Y CA -0.725 57.347 58.100 -0.047 0.000 1.080 47 Y CB 1.858 40.289 38.460 -0.048 0.000 1.284 47 Y HN 0.600 nan 8.280 nan 0.000 0.485 48 D N 0.171 120.650 120.400 0.132 0.000 2.123 48 D HA 0.011 4.651 4.640 0.001 0.000 0.200 48 D C -0.338 175.955 176.300 -0.012 0.000 0.976 48 D CA 1.478 55.542 54.000 0.107 0.000 0.831 48 D CB 0.261 41.207 40.800 0.243 0.000 0.974 48 D HN 0.108 nan 8.370 nan 0.000 0.469 49 V N 1.093 120.991 119.914 -0.028 0.000 2.623 49 V HA 0.341 4.461 4.120 0.001 0.000 0.304 49 V C -0.368 175.626 176.094 -0.167 0.000 1.054 49 V CA -1.034 61.157 62.300 -0.182 0.000 0.882 49 V CB 2.468 34.159 31.823 -0.220 0.000 1.002 49 V HN -0.018 nan 8.190 nan 0.000 0.424 50 V N 3.273 123.041 119.914 -0.244 0.000 2.495 50 V HA 0.750 4.870 4.120 0.001 0.000 0.298 50 V C -0.619 175.413 176.094 -0.103 0.000 1.031 50 V CA -0.582 61.634 62.300 -0.140 0.000 0.871 50 V CB 1.711 33.513 31.823 -0.036 0.000 0.988 50 V HN 0.686 nan 8.190 nan 0.000 0.432 51 I N 4.523 125.061 120.570 -0.052 0.000 2.389 51 I HA 0.449 4.619 4.170 0.001 0.000 0.288 51 I C -0.519 175.623 176.117 0.041 0.000 0.999 51 I CA -0.923 60.334 61.300 -0.071 0.000 1.129 51 I CB 2.149 40.092 38.000 -0.097 0.000 1.288 51 I HN 0.426 nan 8.210 nan 0.000 0.444 52 V N 5.720 125.645 119.914 0.019 0.000 2.334 52 V HA 0.745 4.865 4.120 0.001 0.000 0.267 52 V C 0.531 176.633 176.094 0.014 0.000 1.040 52 V CA -0.199 62.134 62.300 0.054 0.000 0.866 52 V CB 0.398 32.225 31.823 0.008 0.000 1.019 52 V HN 1.067 nan 8.190 nan 0.000 0.468 53 G N 3.855 112.680 108.800 0.041 0.000 3.055 53 G HA2 -0.013 3.947 3.960 0.001 0.000 0.685 53 G HA3 -0.013 3.947 3.960 0.001 0.000 0.685 53 G C -0.074 174.841 174.900 0.026 0.000 1.212 53 G CA -0.273 44.841 45.100 0.024 0.000 0.822 53 G HN 1.173 nan 8.290 nan 0.000 0.610 54 S N 1.056 116.774 115.700 0.031 0.000 2.588 54 S HA 0.606 5.076 4.470 0.001 0.000 0.245 54 S C 1.302 175.912 174.600 0.017 0.000 1.021 54 S CA 0.673 58.896 58.200 0.039 0.000 1.006 54 S CB 0.688 63.921 63.200 0.056 0.000 0.830 54 S HN 1.841 nan 8.310 nan 0.000 0.468 55 G N 2.668 111.467 108.800 -0.001 0.000 2.553 55 G HA2 0.401 4.361 3.960 0.001 0.000 0.278 55 G HA3 0.401 4.361 3.960 0.001 0.000 0.278 55 G C -1.232 173.642 174.900 -0.044 0.000 1.349 55 G CA -1.305 43.775 45.100 -0.034 0.000 1.037 55 G HN 0.246 nan 8.290 nan 0.000 0.508 56 P HA -0.052 nan 4.420 nan 0.000 0.220 56 P C 1.742 178.984 177.300 -0.095 0.000 1.148 56 P CA 0.728 63.773 63.100 -0.091 0.000 0.803 56 P CB 0.182 31.836 31.700 -0.076 0.000 0.782 57 I N 0.167 120.713 120.570 -0.040 0.000 2.277 57 I HA -0.041 4.130 4.170 0.001 0.000 0.243 57 I C 2.699 178.875 176.117 0.099 0.000 1.094 57 I CA 1.620 62.931 61.300 0.018 0.000 1.393 57 I CB -2.281 35.756 38.000 0.062 0.000 1.078 57 I HN 0.001 nan 8.210 nan 0.000 0.417 58 G N 0.294 109.131 108.800 0.062 0.000 2.442 58 G HA2 -0.241 3.719 3.960 0.001 0.000 0.219 58 G HA3 -0.241 3.719 3.960 0.001 0.000 0.219 58 G C 1.746 176.652 174.900 0.010 0.000 1.141 58 G CA 1.001 46.131 45.100 0.050 0.000 0.763 58 G HN 0.413 nan 8.290 nan 0.000 0.554 59 C N 0.607 119.887 119.300 -0.033 0.000 2.432 59 C HA 0.053 4.513 4.460 0.001 0.000 0.282 59 C C 3.148 178.009 174.990 -0.216 0.000 1.388 59 C CA 1.301 60.262 59.018 -0.095 0.000 1.777 59 C CB -0.932 26.791 27.740 -0.028 0.000 1.882 59 C HN 0.446 nan 8.230 nan 0.000 0.520 60 T N -0.079 114.362 114.554 -0.189 0.000 2.737 60 T HA -0.137 4.213 4.350 0.001 0.000 0.265 60 T C 1.477 176.001 174.700 -0.294 0.000 1.038 60 T CA 1.498 63.433 62.100 -0.274 0.000 1.144 60 T CB -0.382 68.347 68.868 -0.231 0.000 0.866 60 T HN 0.542 nan 8.240 nan 0.000 0.434 61 Y N 1.583 121.736 120.300 -0.246 0.000 2.128 61 Y HA -0.073 4.477 4.550 0.001 0.000 0.284 61 Y C 2.763 178.449 175.900 -0.356 0.000 1.154 61 Y CA 1.018 58.960 58.100 -0.263 0.000 1.149 61 Y CB -0.701 37.626 38.460 -0.222 0.000 0.976 61 Y HN 0.194 nan 8.280 nan 0.000 0.505 62 A N 0.058 122.699 122.820 -0.299 0.000 1.877 62 A HA -0.220 4.100 4.320 0.001 0.000 0.216 62 A C 2.343 179.349 177.584 -0.963 0.000 1.186 62 A CA 1.729 53.347 52.037 -0.698 0.000 0.620 62 A CB -0.673 17.733 19.000 -0.991 0.000 0.822 62 A HN 0.347 nan 8.150 nan 0.000 0.443 63 R N -0.404 119.587 120.500 -0.848 0.000 2.083 63 R HA -0.144 4.196 4.340 0.001 0.000 0.237 63 R C 2.004 178.086 176.300 -0.362 0.000 1.137 63 R CA 1.724 57.461 56.100 -0.605 0.000 0.951 63 R CB -0.297 29.670 30.300 -0.554 0.000 0.851 63 R HN 0.596 nan 8.270 nan 0.000 0.434 64 E N 0.294 120.313 120.200 -0.302 0.000 2.072 64 E HA -0.152 4.198 4.350 0.001 0.000 0.191 64 E C 2.108 178.642 176.600 -0.110 0.000 0.985 64 E CA 1.059 57.364 56.400 -0.158 0.000 0.801 64 E CB -0.018 29.581 29.700 -0.168 0.000 0.750 64 E HN 0.385 nan 8.360 nan 0.000 0.452 65 L N 0.055 121.183 121.223 -0.158 0.000 2.253 65 L HA -0.024 4.316 4.340 0.001 0.000 0.205 65 L C 2.470 179.379 176.870 0.065 0.000 1.078 65 L CA 0.167 54.971 54.840 -0.060 0.000 0.805 65 L CB -0.146 41.769 42.059 -0.239 0.000 0.963 65 L HN -0.070 nan 8.230 nan 0.000 0.459 66 V N 0.601 120.457 119.914 -0.096 0.000 2.343 66 V HA -0.196 3.924 4.120 0.001 0.000 0.247 66 V C 2.594 178.713 176.094 0.041 0.000 1.051 66 V CA 2.098 64.386 62.300 -0.019 0.000 1.036 66 V CB -1.171 30.562 31.823 -0.151 0.000 0.654 66 V HN 0.562 nan 8.190 nan 0.000 0.451 67 G N -0.585 108.213 108.800 -0.004 0.000 2.443 67 G HA2 -0.096 3.864 3.960 0.001 0.000 0.219 67 G HA3 -0.096 3.864 3.960 0.001 0.000 0.219 67 G C 1.560 176.492 174.900 0.053 0.000 1.131 67 G CA 0.786 45.904 45.100 0.030 0.000 0.775 67 G HN 0.616 nan 8.290 nan 0.000 0.547 68 A N -0.435 122.439 122.820 0.089 0.000 2.206 68 A HA 0.458 4.779 4.320 0.001 0.000 0.211 68 A C 1.978 179.576 177.584 0.023 0.000 1.158 68 A CA 1.389 53.486 52.037 0.100 0.000 0.761 68 A CB -0.351 18.787 19.000 0.229 0.000 0.801 68 A HN 1.543 nan 8.150 nan 0.000 0.473 69 G N -2.675 106.157 108.800 0.053 0.000 2.163 69 G HA2 -0.238 3.723 3.960 0.001 0.000 0.213 69 G HA3 -0.238 3.723 3.960 0.001 0.000 0.213 69 G C -0.060 174.802 174.900 -0.063 0.000 0.991 69 G CA 0.006 45.104 45.100 -0.005 0.000 0.653 69 G HN 0.378 nan 8.290 nan 0.000 0.518 70 Y N 0.618 120.933 120.300 0.025 0.000 2.397 70 Y HA 0.426 4.976 4.550 0.000 0.000 0.335 70 Y C 1.113 177.025 175.900 0.021 0.000 1.213 70 Y CA 0.147 58.255 58.100 0.014 0.000 1.391 70 Y CB 0.740 39.193 38.460 -0.011 0.000 1.293 70 Y HN 0.097 nan 8.280 nan 0.000 0.557 71 K N 2.874 123.368 120.400 0.157 0.000 2.292 71 K HA 0.400 4.720 4.320 0.001 0.000 0.290 71 K C -1.567 175.144 176.600 0.184 0.000 1.083 71 K CA -0.138 56.220 56.287 0.117 0.000 0.918 71 K CB 0.005 32.530 32.500 0.043 0.000 1.089 71 K HN 0.494 nan 8.250 nan 0.000 0.473 72 V N 3.347 123.350 119.914 0.149 0.000 2.495 72 V HA 0.598 4.718 4.120 0.001 0.000 0.298 72 V C -0.309 175.666 176.094 -0.198 0.000 1.031 72 V CA -0.916 61.413 62.300 0.047 0.000 0.871 72 V CB 1.442 33.343 31.823 0.131 0.000 0.988 72 V HN 0.892 nan 8.190 nan 0.000 0.432 73 A N 5.653 128.196 122.820 -0.462 0.000 2.350 73 A HA 0.951 5.271 4.320 0.001 0.000 0.324 73 A C -0.674 176.551 177.584 -0.598 0.000 1.118 73 A CA -0.639 50.887 52.037 -0.852 0.000 0.783 73 A CB 1.625 19.767 19.000 -1.431 0.000 1.236 73 A HN 0.901 nan 8.150 nan 0.000 0.457 74 M N 2.237 121.404 119.600 -0.722 0.000 2.327 74 M HA 0.717 5.197 4.480 0.001 0.000 0.298 74 M C -2.204 173.770 176.300 -0.543 0.000 1.065 74 M CA -0.394 54.672 55.300 -0.390 0.000 0.916 74 M CB 1.191 33.753 32.600 -0.064 0.000 1.630 74 M HN 0.608 nan 8.290 nan 0.000 0.442 75 F N 2.325 122.271 119.950 -0.006 0.000 2.495 75 F HA 0.583 5.111 4.527 0.000 0.000 0.327 75 F C -0.186 175.615 175.800 0.001 0.000 1.103 75 F CA -0.520 57.495 58.000 0.025 0.000 0.949 75 F CB 1.523 40.518 39.000 -0.009 0.000 1.142 75 F HN 0.443 nan 8.300 nan 0.000 0.457 76 D N 2.670 123.173 120.400 0.172 0.000 2.879 76 D HA 0.233 4.873 4.640 0.001 0.000 0.236 76 D C 0.410 176.741 176.300 0.052 0.000 1.171 76 D CA -0.347 53.701 54.000 0.079 0.000 0.868 76 D CB 2.471 43.299 40.800 0.047 0.000 1.598 76 D HN 0.639 nan 8.370 nan 0.000 0.497 77 I N 1.876 122.431 120.570 -0.025 0.000 2.614 77 I HA 0.046 4.216 4.170 0.001 0.000 0.258 77 I C 1.156 177.243 176.117 -0.050 0.000 1.189 77 I CA 0.707 61.951 61.300 -0.093 0.000 1.462 77 I CB 0.158 37.986 38.000 -0.287 0.000 1.092 77 I HN 0.340 nan 8.210 nan 0.000 0.442 78 G N 0.024 108.811 108.800 -0.022 0.000 2.543 78 G HA2 0.344 4.304 3.960 0.001 0.000 0.290 78 G HA3 0.344 4.304 3.960 0.001 0.000 0.290 78 G C -0.798 174.123 174.900 0.035 0.000 1.310 78 G CA -0.420 44.689 45.100 0.015 0.000 1.025 78 G HN 0.296 nan 8.290 nan 0.000 0.502 79 E N -1.359 118.867 120.200 0.043 0.000 2.249 79 E HA 0.370 4.720 4.350 0.001 0.000 0.263 79 E C -0.448 176.177 176.600 0.042 0.000 0.950 79 E CA -0.699 55.728 56.400 0.044 0.000 0.827 79 E CB 2.452 32.181 29.700 0.048 0.000 1.220 79 E HN 0.268 nan 8.360 nan 0.000 0.411 80 I N 2.676 123.269 120.570 0.038 0.000 2.505 80 I HA 0.020 4.190 4.170 0.001 0.000 0.287 80 I C -0.202 175.942 176.117 0.045 0.000 1.104 80 I CA 0.572 61.894 61.300 0.038 0.000 1.387 80 I CB 0.089 38.105 38.000 0.028 0.000 1.404 80 I HN 0.521 nan 8.210 nan 0.000 0.528 81 D N 2.479 122.912 120.400 0.055 0.000 3.279 81 D HA 0.021 4.662 4.640 0.001 0.000 0.336 81 D C -0.032 176.318 176.300 0.083 0.000 1.512 81 D CA -0.311 53.727 54.000 0.064 0.000 0.754 81 D CB -0.157 40.680 40.800 0.061 0.000 1.278 81 D HN 0.204 nan 8.370 nan 0.000 0.553 82 S N -0.141 115.611 115.700 0.087 0.000 2.602 82 S HA 0.640 5.111 4.470 0.001 0.000 0.240 82 S C 0.876 175.546 174.600 0.117 0.000 0.992 82 S CA 0.082 58.352 58.200 0.116 0.000 0.971 82 S CB 0.699 63.970 63.200 0.117 0.000 0.855 82 S HN 0.898 nan 8.310 nan 0.000 0.481 83 G N 1.187 110.042 108.800 0.093 0.000 2.627 83 G HA2 -0.185 3.775 3.960 0.001 0.000 0.214 83 G HA3 -0.185 3.775 3.960 0.001 0.000 0.214 83 G C 0.199 175.133 174.900 0.058 0.000 1.331 83 G CA -0.469 44.679 45.100 0.080 0.000 0.891 83 G HN 0.249 nan 8.290 nan 0.000 0.539 84 L N 0.111 121.363 121.223 0.047 0.000 2.376 84 L HA 0.111 4.451 4.340 0.001 0.000 0.219 84 L C 1.473 178.355 176.870 0.019 0.000 1.133 84 L CA 0.911 55.767 54.840 0.028 0.000 0.816 84 L CB -0.352 41.719 42.059 0.021 0.000 0.933 84 L HN 0.314 nan 8.230 nan 0.000 0.449 85 K N 1.869 122.289 120.400 0.034 0.000 2.250 85 K HA 0.333 4.654 4.320 0.001 0.000 0.285 85 K C -0.287 176.332 176.600 0.032 0.000 1.097 85 K CA -0.204 56.098 56.287 0.026 0.000 0.913 85 K CB 0.943 33.471 32.500 0.048 0.000 1.179 85 K HN 0.100 nan 8.250 nan 0.000 0.462 86 I N 1.804 122.376 120.570 0.002 0.000 2.533 86 I HA -0.043 4.127 4.170 0.001 0.000 0.284 86 I C 1.344 177.472 176.117 0.019 0.000 1.109 86 I CA 0.727 62.032 61.300 0.009 0.000 1.412 86 I CB 0.529 38.522 38.000 -0.013 0.000 1.396 86 I HN 0.958 nan 8.210 nan 0.000 0.543 87 G N 4.312 113.137 108.800 0.041 0.000 2.148 87 G HA2 -0.225 3.735 3.960 0.001 0.000 0.254 87 G HA3 -0.225 3.735 3.960 0.001 0.000 0.254 87 G C 0.370 175.318 174.900 0.080 0.000 0.981 87 G CA 0.080 45.209 45.100 0.049 0.000 0.670 87 G HN 0.958 nan 8.290 nan 0.000 0.528 88 A N -0.271 122.612 122.820 0.106 0.000 2.313 88 A HA 0.574 4.895 4.320 0.001 0.000 0.261 88 A C 0.613 178.326 177.584 0.215 0.000 1.090 88 A CA -0.178 51.960 52.037 0.169 0.000 0.807 88 A CB 0.219 19.318 19.000 0.165 0.000 1.055 88 A HN 0.651 nan 8.150 nan 0.000 0.492 89 H N 0.564 119.772 119.070 0.230 0.000 2.848 89 H HA 0.110 4.666 4.556 0.000 0.000 0.317 89 H C 0.782 176.256 175.328 0.243 0.000 1.046 89 H CA 0.650 56.854 56.048 0.260 0.000 1.470 89 H CB 0.806 30.743 29.762 0.291 0.000 1.483 89 H HN 0.692 nan 8.280 nan 0.000 0.548 90 K N 3.483 124.119 120.400 0.393 0.000 2.362 90 K HA -0.106 4.214 4.320 0.001 0.000 0.200 90 K C 1.679 178.589 176.600 0.518 0.000 1.046 90 K CA 0.688 57.251 56.287 0.460 0.000 0.952 90 K CB 0.342 33.104 32.500 0.437 0.000 0.753 90 K HN 0.425 nan 8.250 nan 0.000 0.466 91 K N 0.932 121.554 120.400 0.370 0.000 2.486 91 K HA -0.003 4.317 4.320 0.001 0.000 0.194 91 K C 0.481 177.143 176.600 0.104 0.000 1.033 91 K CA 0.416 56.588 56.287 -0.192 0.000 1.004 91 K CB 0.256 32.157 32.500 -0.999 0.000 0.798 91 K HN 0.004 nan 8.250 nan 0.000 0.495 92 N N 1.625 120.481 118.700 0.260 0.000 2.375 92 N HA -0.031 4.709 4.740 0.001 0.000 0.220 92 N C -0.543 175.214 175.510 0.413 0.000 1.170 92 N CA 0.334 53.563 53.050 0.299 0.000 0.833 92 N CB 0.486 39.183 38.487 0.349 0.000 1.069 92 N HN 0.264 nan 8.380 nan 0.000 0.479 93 T N -3.933 110.846 114.554 0.375 0.000 2.928 93 T HA 0.310 4.660 4.350 0.001 0.000 0.284 93 T C 1.615 176.503 174.700 0.314 0.000 1.008 93 T CA -0.767 61.525 62.100 0.319 0.000 1.057 93 T CB 1.685 70.697 68.868 0.240 0.000 1.018 93 T HN -0.198 nan 8.240 nan 0.000 0.493 94 V N 1.294 121.368 119.914 0.267 0.000 2.392 94 V HA -0.119 4.002 4.120 0.001 0.000 0.249 94 V C 2.848 179.020 176.094 0.129 0.000 1.059 94 V CA 2.230 64.680 62.300 0.250 0.000 1.051 94 V CB -1.014 30.893 31.823 0.141 0.000 0.658 94 V HN 0.989 nan 8.190 nan 0.000 0.455 95 E N -0.297 119.918 120.200 0.025 0.000 2.077 95 E HA -0.205 4.146 4.350 0.001 0.000 0.193 95 E C 1.966 178.486 176.600 -0.133 0.000 0.989 95 E CA 1.670 58.011 56.400 -0.098 0.000 0.800 95 E CB -0.353 29.219 29.700 -0.213 0.000 0.746 95 E HN 0.707 nan 8.360 nan 0.000 0.452 96 Y N 0.473 120.851 120.300 0.130 0.000 2.373 96 Y HA -0.011 4.539 4.550 0.000 0.000 0.293 96 Y C 2.210 178.138 175.900 0.047 0.000 1.129 96 Y CA 0.937 59.105 58.100 0.114 0.000 1.226 96 Y CB -0.029 38.517 38.460 0.143 0.000 1.000 96 Y HN 0.106 nan 8.280 nan 0.000 0.549 97 Q N 0.245 120.135 119.800 0.149 0.000 2.230 97 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 97 Q C 1.716 177.766 176.000 0.083 0.000 0.963 97 Q CA 0.948 56.783 55.803 0.053 0.000 0.866 97 Q CB -0.107 28.599 28.738 -0.053 0.000 0.931 97 Q HN 0.504 nan 8.270 nan 0.000 0.452 98 K N 0.506 120.961 120.400 0.091 0.000 2.296 98 K HA 0.034 4.354 4.320 0.001 0.000 0.200 98 K C 0.422 177.067 176.600 0.075 0.000 1.048 98 K CA 0.474 56.804 56.287 0.072 0.000 0.966 98 K CB 0.316 32.847 32.500 0.051 0.000 0.754 98 K HN 0.137 nan 8.250 nan 0.000 0.466 99 N N 0.997 119.763 118.700 0.110 0.000 2.711 99 N HA 0.076 4.816 4.740 0.001 0.000 0.263 99 N C 0.183 175.822 175.510 0.215 0.000 1.667 99 N CA 0.037 53.166 53.050 0.132 0.000 0.785 99 N CB 1.036 39.593 38.487 0.117 0.000 1.231 99 N HN 0.036 nan 8.380 nan 0.000 0.503 100 I N 0.324 120.998 120.570 0.174 0.000 2.264 100 I HA -0.245 3.926 4.170 0.001 0.000 0.248 100 I C 1.068 177.317 176.117 0.220 0.000 1.111 100 I CA 1.664 63.069 61.300 0.176 0.000 1.382 100 I CB 0.381 38.441 38.000 0.100 0.000 1.060 100 I HN 0.150 nan 8.210 nan 0.000 0.418 101 D N 0.921 121.444 120.400 0.205 0.000 2.264 101 D HA -0.135 4.505 4.640 0.001 0.000 0.208 101 D C 2.004 178.411 176.300 0.178 0.000 0.966 101 D CA 0.622 54.746 54.000 0.207 0.000 0.864 101 D CB -0.092 40.860 40.800 0.253 0.000 0.933 101 D HN 0.299 nan 8.370 nan 0.000 0.499 102 K N 0.174 120.706 120.400 0.221 0.000 2.280 102 K HA -0.117 4.204 4.320 0.001 0.000 0.202 102 K C 1.797 178.509 176.600 0.188 0.000 1.047 102 K CA 0.126 56.548 56.287 0.224 0.000 0.942 102 K CB -0.447 32.239 32.500 0.311 0.000 0.739 102 K HN 0.211 nan 8.250 nan 0.000 0.457 103 F N 1.172 121.128 119.950 0.010 0.000 2.333 103 F HA -0.170 4.358 4.527 0.000 0.000 0.300 103 F C 2.131 177.834 175.800 -0.162 0.000 1.083 103 F CA 0.523 58.385 58.000 -0.230 0.000 1.395 103 F CB -0.229 38.615 39.000 -0.261 0.000 1.056 103 F HN -0.235 nan 8.300 nan 0.000 0.529 104 V N 0.518 120.375 119.914 -0.095 0.000 2.469 104 V HA -0.358 3.762 4.120 0.001 0.000 0.251 104 V C 1.777 177.714 176.094 -0.261 0.000 1.064 104 V CA 2.686 64.879 62.300 -0.178 0.000 1.066 104 V CB -0.608 31.127 31.823 -0.146 0.000 0.667 104 V HN 0.439 nan 8.190 nan 0.000 0.461 105 N N -0.570 118.000 118.700 -0.217 0.000 2.166 105 N HA -0.140 4.600 4.740 0.001 0.000 0.186 105 N C 1.665 177.010 175.510 -0.275 0.000 1.019 105 N CA 1.556 54.491 53.050 -0.192 0.000 0.856 105 N CB -0.241 38.191 38.487 -0.092 0.000 0.993 105 N HN 0.415 nan 8.380 nan 0.000 0.426 106 V N 1.297 120.932 119.914 -0.465 0.000 2.261 106 V HA -0.223 3.897 4.120 0.001 0.000 0.246 106 V C 2.064 177.834 176.094 -0.540 0.000 1.047 106 V CA 1.476 63.428 62.300 -0.581 0.000 1.015 106 V CB -0.537 30.617 31.823 -1.115 0.000 0.642 106 V HN 0.294 nan 8.190 nan 0.000 0.446 107 I N -0.251 119.921 120.570 -0.665 0.000 2.099 107 I HA -0.355 3.816 4.170 0.001 0.000 0.239 107 I C 2.735 178.607 176.117 -0.409 0.000 1.066 107 I CA 1.907 62.853 61.300 -0.590 0.000 1.324 107 I CB -0.479 37.230 38.000 -0.485 0.000 1.037 107 I HN 0.353 nan 8.210 nan 0.000 0.401 108 Q N 0.305 119.924 119.800 -0.301 0.000 2.170 108 Q HA -0.141 4.200 4.340 0.001 0.000 0.203 108 Q C 2.239 178.143 176.000 -0.159 0.000 0.976 108 Q CA 1.448 57.127 55.803 -0.206 0.000 0.858 108 Q CB -0.392 28.241 28.738 -0.175 0.000 0.907 108 Q HN 0.661 nan 8.270 nan 0.000 0.433 109 G N 1.093 109.794 108.800 -0.164 0.000 2.598 109 G HA2 -0.206 3.754 3.960 0.001 0.000 0.215 109 G HA3 -0.206 3.754 3.960 0.001 0.000 0.215 109 G C 0.952 175.807 174.900 -0.076 0.000 1.131 109 G CA 0.450 45.487 45.100 -0.104 0.000 0.785 109 G HN 0.458 nan 8.290 nan 0.000 0.539 110 Q N -0.561 119.179 119.800 -0.100 0.000 2.135 110 Q HA 0.425 4.766 4.340 0.001 0.000 0.231 110 Q C -0.286 175.705 176.000 -0.015 0.000 0.817 110 Q CA -0.298 55.487 55.803 -0.029 0.000 1.073 110 Q CB 0.182 28.929 28.738 0.015 0.000 1.176 110 Q HN 0.229 nan 8.270 nan 0.000 0.478 111 L N 2.148 123.337 121.223 -0.056 0.000 2.280 111 L HA 0.520 4.860 4.340 0.001 0.000 0.287 111 L C -0.690 176.182 176.870 0.003 0.000 1.023 111 L CA -0.723 54.103 54.840 -0.023 0.000 0.819 111 L CB 1.460 43.474 42.059 -0.075 0.000 1.212 111 L HN 0.234 nan 8.230 nan 0.000 0.420 112 M N 2.155 121.782 119.600 0.044 0.000 2.205 112 M HA 0.312 4.792 4.480 0.001 0.000 0.344 112 M C 0.065 176.398 176.300 0.055 0.000 1.085 112 M CA -0.550 54.782 55.300 0.052 0.000 1.001 112 M CB 1.317 33.972 32.600 0.092 0.000 1.626 112 M HN 0.349 nan 8.290 nan 0.000 0.442 113 S N 1.859 117.580 115.700 0.035 0.000 2.552 113 S HA 0.142 4.612 4.470 0.001 0.000 0.289 113 S C 1.655 176.286 174.600 0.052 0.000 1.304 113 S CA -0.513 57.708 58.200 0.035 0.000 1.063 113 S CB 0.768 63.979 63.200 0.018 0.000 0.848 113 S HN 0.533 nan 8.310 nan 0.000 0.499 114 V N 2.448 122.402 119.914 0.067 0.000 2.323 114 V HA 0.011 4.131 4.120 0.001 0.000 0.244 114 V C 1.181 177.276 176.094 0.001 0.000 1.041 114 V CA 1.401 63.731 62.300 0.049 0.000 1.025 114 V CB 0.014 31.890 31.823 0.089 0.000 0.656 114 V HN 0.797 nan 8.190 nan 0.000 0.451 115 S N -0.549 115.169 115.700 0.031 0.000 2.750 115 S HA 0.522 4.992 4.470 0.001 0.000 0.276 115 S C -1.173 173.433 174.600 0.009 0.000 1.165 115 S CA -0.457 57.730 58.200 -0.023 0.000 1.047 115 S CB 1.443 64.589 63.200 -0.090 0.000 1.056 115 S HN 0.001 nan 8.310 nan 0.000 0.481 116 V N 7.579 127.486 119.914 -0.012 0.000 2.384 116 V HA 0.574 4.695 4.120 0.001 0.000 0.287 116 V C -2.000 174.082 176.094 -0.020 0.000 1.020 116 V CA -1.809 60.484 62.300 -0.011 0.000 0.850 116 V CB 1.522 33.337 31.823 -0.013 0.000 0.987 116 V HN 0.689 nan 8.190 nan 0.000 0.436 117 P HA 0.192 nan 4.420 nan 0.000 0.274 117 P C -0.258 177.024 177.300 -0.031 0.000 1.256 117 P CA -0.227 62.860 63.100 -0.021 0.000 0.795 117 P CB 0.755 32.444 31.700 -0.018 0.000 1.038 118 V N 1.962 121.860 119.914 -0.027 0.000 2.585 118 V HA 0.012 4.132 4.120 0.001 0.000 0.296 118 V C 1.173 177.227 176.094 -0.067 0.000 1.035 118 V CA -0.021 62.258 62.300 -0.035 0.000 1.084 118 V CB -0.465 31.354 31.823 -0.006 0.000 0.953 118 V HN 0.587 nan 8.190 nan 0.000 0.483 119 N N 3.556 122.207 118.700 -0.080 0.000 2.470 119 N HA 0.075 4.815 4.740 0.001 0.000 0.268 119 N C 0.612 175.990 175.510 -0.221 0.000 1.136 119 N CA 0.366 53.346 53.050 -0.115 0.000 0.961 119 N CB 1.529 39.970 38.487 -0.076 0.000 1.067 119 N HN 0.859 nan 8.380 nan 0.000 0.468 120 T N 1.070 115.384 114.554 -0.401 0.000 3.228 120 T HA 0.272 4.622 4.350 0.001 0.000 0.278 120 T C 0.762 174.951 174.700 -0.852 0.000 1.014 120 T CA -0.463 61.036 62.100 -1.002 0.000 0.904 120 T CB -0.419 67.975 68.868 -0.790 0.000 1.110 120 T HN 0.272 nan 8.240 nan 0.000 0.541 121 L N 1.939 122.953 121.223 -0.349 0.000 2.416 121 L HA 0.414 4.755 4.340 0.001 0.000 0.272 121 L C 0.149 177.038 176.870 0.032 0.000 1.161 121 L CA -0.857 53.895 54.840 -0.147 0.000 0.845 121 L CB 0.992 43.012 42.059 -0.065 0.000 1.119 121 L HN 0.062 nan 8.230 nan 0.000 0.464 122 V N 4.440 124.404 119.914 0.084 0.000 2.498 122 V HA 0.178 4.298 4.120 0.001 0.000 0.279 122 V C 0.227 176.390 176.094 0.114 0.000 1.048 122 V CA -0.440 61.982 62.300 0.203 0.000 0.967 122 V CB 1.755 33.680 31.823 0.170 0.000 0.988 122 V HN 0.418 nan 8.190 nan 0.000 0.473 123 V N 5.102 125.083 119.914 0.112 0.000 2.334 123 V HA 0.360 4.480 4.120 0.001 0.000 0.281 123 V C 0.065 176.189 176.094 0.050 0.000 1.016 123 V CA -0.457 61.883 62.300 0.067 0.000 0.832 123 V CB 1.402 33.263 31.823 0.064 0.000 0.999 123 V HN 1.074 nan 8.190 nan 0.000 0.439 124 D N 1.937 122.359 120.400 0.037 0.000 2.538 124 D HA 0.017 4.657 4.640 0.001 0.000 0.231 124 D C 1.024 177.334 176.300 0.016 0.000 1.229 124 D CA 0.107 54.121 54.000 0.023 0.000 0.828 124 D CB 0.368 41.181 40.800 0.022 0.000 1.035 124 D HN 0.542 nan 8.370 nan 0.000 0.495 125 T N -1.449 113.117 114.554 0.020 0.000 3.269 125 T HA 0.375 4.725 4.350 0.001 0.000 0.269 125 T C 0.616 175.327 174.700 0.018 0.000 0.993 125 T CA -0.551 61.559 62.100 0.016 0.000 0.909 125 T CB -0.183 68.695 68.868 0.017 0.000 1.115 125 T HN 0.015 nan 8.240 nan 0.000 0.543 126 L N 1.392 122.627 121.223 0.019 0.000 2.466 126 L HA 0.452 4.793 4.340 0.001 0.000 0.257 126 L C 1.085 177.965 176.870 0.016 0.000 1.189 126 L CA -0.803 54.050 54.840 0.022 0.000 0.813 126 L CB 0.716 42.791 42.059 0.026 0.000 1.118 126 L HN 0.245 nan 8.230 nan 0.000 0.471 127 S N 0.688 116.400 115.700 0.021 0.000 2.572 127 S HA 0.159 4.629 4.470 0.001 0.000 0.279 127 S C -1.572 173.035 174.600 0.012 0.000 1.341 127 S CA -1.062 57.148 58.200 0.017 0.000 1.043 127 S CB 0.803 64.017 63.200 0.023 0.000 0.887 127 S HN 0.382 nan 8.310 nan 0.000 0.516 128 P HA -0.020 nan 4.420 nan 0.000 0.228 128 P C 1.219 178.522 177.300 0.004 0.000 1.151 128 P CA 0.974 64.073 63.100 -0.002 0.000 0.770 128 P CB -0.255 31.443 31.700 -0.004 0.000 0.786 129 T N -5.572 108.994 114.554 0.019 0.000 3.067 129 T HA 0.100 4.451 4.350 0.001 0.000 0.261 129 T C 1.004 175.738 174.700 0.058 0.000 1.110 129 T CA 0.047 62.167 62.100 0.033 0.000 1.113 129 T CB -0.556 68.332 68.868 0.034 0.000 0.917 129 T HN -0.107 nan 8.240 nan 0.000 0.499 130 S N 1.593 117.328 115.700 0.060 0.000 2.548 130 S HA 0.313 4.783 4.470 0.001 0.000 0.277 130 S C -0.612 174.066 174.600 0.130 0.000 1.315 130 S CA -1.004 57.258 58.200 0.104 0.000 1.050 130 S CB 0.182 63.435 63.200 0.088 0.000 0.918 130 S HN 0.600 nan 8.310 nan 0.000 0.497 131 W N 3.343 124.649 121.300 0.009 0.000 2.216 131 W HA 0.255 4.916 4.660 0.001 0.000 0.326 131 W C -0.088 176.441 176.519 0.016 0.000 1.319 131 W CA 0.160 57.509 57.345 0.006 0.000 1.213 131 W CB 0.419 29.882 29.460 0.004 0.000 1.171 131 W HN 0.383 nan 8.180 nan 0.000 0.557 132 Q N 4.212 123.603 119.800 -0.682 0.000 2.315 132 Q HA 0.471 4.811 4.340 0.001 0.000 0.273 132 Q C -0.585 174.714 176.000 -1.169 0.000 1.053 132 Q CA -0.744 54.693 55.803 -0.611 0.000 0.817 132 Q CB 1.931 30.503 28.738 -0.278 0.000 1.326 132 Q HN 0.634 nan 8.270 nan 0.000 0.423 133 A N 1.044 123.390 122.820 -0.791 0.000 2.332 133 A HA 0.364 4.684 4.320 0.001 0.000 0.258 133 A C 0.725 178.108 177.584 -0.335 0.000 1.087 133 A CA -0.047 51.687 52.037 -0.505 0.000 0.802 133 A CB 0.414 19.435 19.000 0.036 0.000 1.042 133 A HN 0.698 nan 8.150 nan 0.000 0.489 134 S N -0.485 115.058 115.700 -0.262 0.000 2.593 134 S HA 0.147 4.617 4.470 0.001 0.000 0.217 134 S C 0.648 175.127 174.600 -0.202 0.000 0.966 134 S CA 0.749 58.818 58.200 -0.217 0.000 0.914 134 S CB -0.404 62.701 63.200 -0.158 0.000 0.776 134 S HN 1.104 nan 8.310 nan 0.000 0.523 135 T N -1.559 112.892 114.554 -0.171 0.000 2.864 135 T HA 0.631 4.981 4.350 0.001 0.000 0.299 135 T C -0.946 173.659 174.700 -0.158 0.000 1.166 135 T CA -0.784 61.228 62.100 -0.147 0.000 1.007 135 T CB 0.720 69.612 68.868 0.039 0.000 1.219 135 T HN -0.074 nan 8.240 nan 0.000 0.506 136 F N 3.039 123.061 119.950 0.120 0.000 2.451 136 F HA 0.428 4.955 4.527 0.000 0.000 0.356 136 F C 0.364 176.208 175.800 0.072 0.000 1.178 136 F CA -1.527 56.508 58.000 0.058 0.000 1.210 136 F CB -0.581 38.421 39.000 0.003 0.000 1.504 136 F HN 0.575 nan 8.300 nan 0.000 0.598 137 F N -0.220 119.823 119.950 0.156 0.000 2.375 137 F HA 0.637 5.164 4.527 0.000 0.000 0.313 137 F C -0.118 175.750 175.800 0.115 0.000 1.176 137 F CA -1.702 56.368 58.000 0.117 0.000 1.142 137 F CB -0.094 38.962 39.000 0.094 0.000 1.275 137 F HN -0.120 nan 8.300 nan 0.000 0.544 138 V N 3.460 123.503 119.914 0.216 0.000 2.450 138 V HA 0.253 4.373 4.120 0.001 0.000 0.281 138 V C 0.244 176.360 176.094 0.036 0.000 1.019 138 V CA -0.115 62.236 62.300 0.086 0.000 1.062 138 V CB -1.001 30.894 31.823 0.119 0.000 0.979 138 V HN 0.937 nan 8.190 nan 0.000 0.477 139 R N 3.210 123.641 120.500 -0.114 0.000 2.752 139 R HA 0.488 4.829 4.340 0.001 0.000 0.271 139 R C -0.273 175.983 176.300 -0.073 0.000 1.026 139 R CA -0.964 55.063 56.100 -0.123 0.000 0.901 139 R CB 0.836 30.881 30.300 -0.426 0.000 1.243 139 R HN 0.368 nan 8.270 nan 0.000 0.463 140 N N -0.615 118.065 118.700 -0.034 0.000 2.741 140 N HA -0.182 4.558 4.740 0.001 0.000 0.250 140 N C 0.698 176.198 175.510 -0.017 0.000 1.115 140 N CA 1.945 54.980 53.050 -0.024 0.000 0.724 140 N CB -1.208 37.255 38.487 -0.039 0.000 1.090 140 N HN 1.162 nan 8.380 nan 0.000 0.558 141 G N -1.957 106.838 108.800 -0.008 0.000 2.157 141 G HA2 -0.301 3.659 3.960 0.001 0.000 0.248 141 G HA3 -0.301 3.659 3.960 0.001 0.000 0.248 141 G C 0.191 175.086 174.900 -0.008 0.000 0.979 141 G CA 0.826 45.924 45.100 -0.004 0.000 0.650 141 G HN 1.344 nan 8.290 nan 0.000 0.529 142 S N -0.344 115.346 115.700 -0.016 0.000 2.579 142 S HA 0.465 4.935 4.470 0.001 0.000 0.275 142 S C 0.184 174.776 174.600 -0.013 0.000 1.345 142 S CA 0.036 58.225 58.200 -0.019 0.000 1.031 142 S CB 1.749 64.931 63.200 -0.030 0.000 0.892 142 S HN 0.614 nan 8.310 nan 0.000 0.529 143 N N 2.696 121.382 118.700 -0.025 0.000 2.437 143 N HA 0.320 5.061 4.740 0.001 0.000 0.243 143 N C -1.478 174.018 175.510 -0.023 0.000 1.041 143 N CA -2.503 50.525 53.050 -0.038 0.000 0.940 143 N CB 1.086 39.523 38.487 -0.083 0.000 1.133 143 N HN 0.413 nan 8.380 nan 0.000 0.506 144 P HA -0.050 nan 4.420 nan 0.000 0.230 144 P C 0.266 177.586 177.300 0.034 0.000 1.158 144 P CA 0.838 63.954 63.100 0.027 0.000 0.769 144 P CB 0.557 32.287 31.700 0.049 0.000 0.807 145 E N -0.221 119.985 120.200 0.010 0.000 2.358 145 E HA -0.088 4.262 4.350 0.001 0.000 0.195 145 E C 0.825 177.437 176.600 0.020 0.000 1.010 145 E CA 0.556 56.981 56.400 0.042 0.000 0.856 145 E CB -0.047 29.621 29.700 -0.053 0.000 0.795 145 E HN 0.298 nan 8.360 nan 0.000 0.504 146 Q N 2.184 121.965 119.800 -0.031 0.000 2.349 146 Q HA 0.047 4.387 4.340 0.001 0.000 0.254 146 Q C -0.940 175.074 176.000 0.023 0.000 0.980 146 Q CA -0.292 55.493 55.803 -0.030 0.000 0.924 146 Q CB 0.813 29.517 28.738 -0.057 0.000 1.209 146 Q HN -0.192 nan 8.270 nan 0.000 0.445 147 D N 5.890 126.324 120.400 0.057 0.000 2.371 147 D HA 0.066 4.706 4.640 0.001 0.000 0.256 147 D C -1.666 174.657 176.300 0.039 0.000 1.193 147 D CA -1.889 52.143 54.000 0.054 0.000 0.881 147 D CB 1.334 42.179 40.800 0.074 0.000 1.143 147 D HN 0.421 nan 8.370 nan 0.000 0.473 148 P HA -0.088 nan 4.420 nan 0.000 0.222 148 P C 1.263 178.574 177.300 0.017 0.000 1.147 148 P CA 0.697 63.803 63.100 0.010 0.000 0.790 148 P CB 0.343 32.037 31.700 -0.010 0.000 0.780 149 L N -1.070 120.167 121.223 0.022 0.000 2.592 149 L HA 0.175 4.515 4.340 0.001 0.000 0.227 149 L C 1.505 178.396 176.870 0.036 0.000 1.127 149 L CA 0.220 55.074 54.840 0.023 0.000 0.884 149 L CB -0.147 41.920 42.059 0.014 0.000 1.065 149 L HN -0.153 nan 8.230 nan 0.000 0.457 150 R N -0.382 120.150 120.500 0.054 0.000 2.698 150 R HA 0.215 4.555 4.340 0.001 0.000 0.422 150 R C -0.413 175.956 176.300 0.115 0.000 1.073 150 R CA -0.258 55.889 56.100 0.077 0.000 1.054 150 R CB 0.322 30.672 30.300 0.083 0.000 1.373 150 R HN 0.050 nan 8.270 nan 0.000 0.593 151 N N 0.675 119.420 118.700 0.076 0.000 2.459 151 N HA 0.376 5.116 4.740 0.001 0.000 0.288 151 N C -0.723 174.717 175.510 -0.116 0.000 1.186 151 N CA -0.593 52.486 53.050 0.048 0.000 0.917 151 N CB 1.184 39.694 38.487 0.038 0.000 1.219 151 N HN 0.071 nan 8.380 nan 0.000 0.525 152 L N 2.009 123.010 121.223 -0.370 0.000 2.417 152 L HA 0.229 4.570 4.340 0.001 0.000 0.258 152 L C 1.333 178.039 176.870 -0.273 0.000 1.088 152 L CA -0.303 54.201 54.840 -0.559 0.000 0.975 152 L CB 0.571 41.929 42.059 -1.169 0.000 1.341 152 L HN 0.637 nan 8.230 nan 0.000 0.431 153 S N -0.197 115.428 115.700 -0.125 0.000 2.447 153 S HA -0.091 4.379 4.470 0.001 0.000 0.233 153 S C 1.712 176.282 174.600 -0.050 0.000 1.006 153 S CA 0.822 58.992 58.200 -0.051 0.000 0.957 153 S CB -0.105 63.079 63.200 -0.026 0.000 0.773 153 S HN 0.649 nan 8.310 nan 0.000 0.507 154 G N 0.371 109.127 108.800 -0.073 0.000 2.985 154 G HA2 0.119 4.079 3.960 0.001 0.000 0.209 154 G HA3 0.119 4.079 3.960 0.001 0.000 0.209 154 G C 0.486 175.357 174.900 -0.049 0.000 1.165 154 G CA -0.353 44.715 45.100 -0.054 0.000 0.776 154 G HN 0.331 nan 8.290 nan 0.000 0.541 155 Q N 0.598 120.354 119.800 -0.073 0.000 2.337 155 Q HA 0.516 4.856 4.340 0.001 0.000 0.270 155 Q C -0.116 175.907 176.000 0.038 0.000 1.002 155 Q CA 0.290 56.077 55.803 -0.027 0.000 0.888 155 Q CB 1.447 30.157 28.738 -0.048 0.000 1.222 155 Q HN 0.291 nan 8.270 nan 0.000 0.400 156 A N 1.933 124.781 122.820 0.047 0.000 2.609 156 A HA 0.746 5.066 4.320 0.001 0.000 0.291 156 A C -1.070 176.558 177.584 0.073 0.000 1.096 156 A CA -0.510 51.559 52.037 0.054 0.000 0.684 156 A CB 1.313 20.332 19.000 0.031 0.000 1.282 156 A HN 0.479 nan 8.150 nan 0.000 0.412 157 V N -2.282 117.686 119.914 0.090 0.000 3.040 157 V HA 0.961 5.081 4.120 0.001 0.000 0.312 157 V C -0.523 175.652 176.094 0.135 0.000 1.115 157 V CA -0.545 61.827 62.300 0.120 0.000 0.998 157 V CB 1.635 33.553 31.823 0.158 0.000 1.042 157 V HN 0.932 nan 8.190 nan 0.000 0.433 158 T N 2.540 117.181 114.554 0.144 0.000 2.841 158 T HA 0.590 4.940 4.350 0.001 0.000 0.285 158 T C -0.478 174.282 174.700 0.101 0.000 0.991 158 T CA -0.480 61.700 62.100 0.133 0.000 0.966 158 T CB 1.187 70.162 68.868 0.178 0.000 0.962 158 T HN 0.779 nan 8.240 nan 0.000 0.438 159 R N 2.491 123.038 120.500 0.078 0.000 2.312 159 R HA 0.667 5.007 4.340 0.001 0.000 0.310 159 R C -0.745 175.580 176.300 0.041 0.000 1.064 159 R CA -0.672 55.449 56.100 0.034 0.000 0.983 159 R CB 1.012 31.302 30.300 -0.016 0.000 1.139 159 R HN 0.530 nan 8.270 nan 0.000 0.536 160 V N -1.383 118.553 119.914 0.037 0.000 3.147 160 V HA 0.401 4.522 4.120 0.001 0.000 0.299 160 V C -0.209 175.904 176.094 0.032 0.000 1.302 160 V CA -1.197 61.127 62.300 0.041 0.000 1.015 160 V CB 1.820 33.675 31.823 0.053 0.000 1.086 160 V HN 0.205 nan 8.190 nan 0.000 0.437 161 V N 3.107 123.041 119.914 0.035 0.000 2.529 161 V HA 0.522 4.642 4.120 0.001 0.000 0.292 161 V C 1.722 177.832 176.094 0.028 0.000 1.028 161 V CA 1.875 64.195 62.300 0.032 0.000 1.074 161 V CB 0.103 31.947 31.823 0.035 0.000 0.958 161 V HN 2.146 nan 8.190 nan 0.000 0.481 162 G N 3.295 112.106 108.800 0.018 0.000 2.213 162 G HA2 -0.008 3.953 3.960 0.001 0.000 0.236 162 G HA3 -0.008 3.953 3.960 0.001 0.000 0.236 162 G C 1.007 175.880 174.900 -0.044 0.000 0.991 162 G CA 0.275 45.374 45.100 -0.002 0.000 0.629 162 G HN 2.144 nan 8.290 nan 0.000 0.517 163 G N 0.022 108.806 108.800 -0.026 0.000 2.574 163 G HA2 -0.251 3.709 3.960 0.001 0.000 0.282 163 G HA3 -0.251 3.709 3.960 0.001 0.000 0.282 163 G C 1.129 175.968 174.900 -0.102 0.000 1.257 163 G CA 1.134 46.210 45.100 -0.039 0.000 0.956 163 G HN 1.093 nan 8.290 nan 0.000 0.560 164 M N 1.527 121.031 119.600 -0.161 0.000 2.557 164 M HA 0.002 4.482 4.480 0.001 0.000 0.259 164 M C 2.696 178.659 176.300 -0.561 0.000 1.086 164 M CA 1.676 56.739 55.300 -0.395 0.000 1.096 164 M CB -0.209 32.263 32.600 -0.213 0.000 1.424 164 M HN 0.735 nan 8.290 nan 0.000 0.488 165 S N -0.456 114.971 115.700 -0.456 0.000 2.547 165 S HA -0.075 4.396 4.470 0.001 0.000 0.235 165 S C 1.692 176.176 174.600 -0.194 0.000 0.980 165 S CA 1.226 59.058 58.200 -0.613 0.000 0.941 165 S CB -0.962 61.886 63.200 -0.586 0.000 0.763 165 S HN 0.582 nan 8.310 nan 0.000 0.532 166 T N -0.688 113.743 114.554 -0.206 0.000 3.113 166 T HA 0.034 4.384 4.350 0.001 0.000 0.256 166 T C 1.354 175.893 174.700 -0.268 0.000 1.131 166 T CA 0.813 62.815 62.100 -0.162 0.000 1.074 166 T CB -0.669 68.191 68.868 -0.014 0.000 0.944 166 T HN 0.904 nan 8.240 nan 0.000 0.516 167 H N -1.831 117.189 119.070 -0.083 0.000 3.398 167 H HA 0.208 4.764 4.556 0.000 0.000 0.260 167 H C 0.496 176.037 175.328 0.356 0.000 1.189 167 H CA -1.069 55.061 56.048 0.137 0.000 1.145 167 H CB -0.437 29.395 29.762 0.117 0.000 1.599 167 H HN 0.491 nan 8.280 nan 0.000 0.615 168 W N 2.576 123.840 121.300 -0.060 0.000 2.034 168 W HA 0.277 4.938 4.660 0.000 0.000 0.357 168 W C -0.045 176.582 176.519 0.180 0.000 1.326 168 W CA -0.172 57.241 57.345 0.113 0.000 1.318 168 W CB -0.143 29.312 29.460 -0.007 0.000 1.193 168 W HN -0.186 nan 8.180 nan 0.000 0.620 169 T N 1.050 115.572 114.554 -0.053 0.000 3.088 169 T HA -0.000 4.350 4.350 0.001 0.000 0.259 169 T C 1.037 175.340 174.700 -0.661 0.000 1.122 169 T CA 1.068 62.976 62.100 -0.321 0.000 1.095 169 T CB -0.549 68.295 68.868 -0.040 0.000 0.930 169 T HN 0.663 nan 8.240 nan 0.000 0.508 170 C N 1.049 119.572 119.300 -1.296 0.000 4.465 170 C HA -0.121 4.339 4.460 0.001 0.000 0.274 170 C C 1.136 175.668 174.990 -0.763 0.000 1.337 170 C CA -0.689 57.299 59.018 -1.717 0.000 1.822 170 C CB -2.724 24.522 27.740 -0.823 0.000 1.357 170 C HN 0.759 nan 8.230 nan 0.000 0.753 171 A N 1.098 123.667 122.820 -0.419 0.000 2.404 171 A HA 0.560 4.880 4.320 0.001 0.000 0.273 171 A C 0.782 178.301 177.584 -0.109 0.000 1.144 171 A CA 1.088 53.026 52.037 -0.165 0.000 0.806 171 A CB 0.193 19.163 19.000 -0.049 0.000 1.080 171 A HN 1.382 nan 8.150 nan 0.000 0.509 172 T N 1.562 116.070 114.554 -0.077 0.000 3.504 172 T HA 0.501 4.851 4.350 0.001 0.000 0.286 172 T C -2.650 172.024 174.700 -0.044 0.000 1.530 172 T CA -1.466 60.624 62.100 -0.016 0.000 1.652 172 T CB 0.554 69.447 68.868 0.042 0.000 0.895 172 T HN 0.463 nan 8.240 nan 0.000 0.674 173 P HA 0.359 nan 4.420 nan 0.000 0.277 173 P C -0.181 177.002 177.300 -0.194 0.000 1.240 173 P CA -0.599 62.425 63.100 -0.126 0.000 0.798 173 P CB 1.176 32.784 31.700 -0.154 0.000 0.979 174 R N 1.124 121.422 120.500 -0.337 0.000 2.582 174 R HA 0.363 4.704 4.340 0.001 0.000 0.271 174 R C 0.147 176.344 176.300 -0.171 0.000 1.078 174 R CA -0.337 55.375 56.100 -0.647 0.000 1.127 174 R CB 0.140 29.899 30.300 -0.901 0.000 1.038 174 R HN 0.386 nan 8.270 nan 0.000 0.500 175 F N 1.670 121.402 119.950 -0.364 0.000 2.384 175 F HA 0.074 4.601 4.527 0.000 0.000 0.338 175 F C 0.966 176.581 175.800 -0.310 0.000 1.103 175 F CA -1.522 56.283 58.000 -0.325 0.000 1.157 175 F CB 0.427 39.222 39.000 -0.342 0.000 1.167 175 F HN 0.544 nan 8.300 nan 0.000 0.529 176 D N 2.118 122.434 120.400 -0.141 0.000 2.423 176 D HA 0.178 4.818 4.640 0.001 0.000 0.255 176 D C 0.959 177.166 176.300 -0.155 0.000 1.174 176 D CA -0.477 53.443 54.000 -0.133 0.000 1.008 176 D CB 0.630 41.368 40.800 -0.103 0.000 1.101 176 D HN 0.466 nan 8.370 nan 0.000 0.516 177 R N -0.257 120.182 120.500 -0.102 0.000 2.117 177 R HA -0.164 4.176 4.340 0.001 0.000 0.243 177 R C 2.015 178.263 176.300 -0.087 0.000 1.143 177 R CA 1.468 57.519 56.100 -0.082 0.000 0.968 177 R CB -0.235 30.053 30.300 -0.021 0.000 0.863 177 R HN 0.636 nan 8.270 nan 0.000 0.444 178 E N 0.615 120.761 120.200 -0.090 0.000 2.160 178 E HA -0.212 4.138 4.350 0.001 0.000 0.195 178 E C 1.577 178.084 176.600 -0.155 0.000 0.991 178 E CA 1.145 57.502 56.400 -0.071 0.000 0.810 178 E CB 0.185 29.895 29.700 0.015 0.000 0.742 178 E HN 0.439 nan 8.360 nan 0.000 0.466 179 Q N -0.659 118.952 119.800 -0.314 0.000 2.356 179 Q HA 0.118 4.458 4.340 0.001 0.000 0.205 179 Q C 0.410 176.325 176.000 -0.141 0.000 0.901 179 Q CA -0.073 55.485 55.803 -0.409 0.000 0.938 179 Q CB 0.734 28.912 28.738 -0.933 0.000 1.081 179 Q HN -0.075 nan 8.270 nan 0.000 0.517 180 R N 1.956 122.404 120.500 -0.087 0.000 2.514 180 R HA 0.316 4.657 4.340 0.001 0.000 0.301 180 R C -2.561 173.721 176.300 -0.029 0.000 0.962 180 R CA -2.132 53.914 56.100 -0.091 0.000 0.882 180 R CB 1.139 31.199 30.300 -0.399 0.000 1.143 180 R HN -0.113 nan 8.270 nan 0.000 0.452 181 P HA 0.059 nan 4.420 nan 0.000 0.272 181 P C -0.643 176.825 177.300 0.280 0.000 1.230 181 P CA -0.128 63.057 63.100 0.141 0.000 0.788 181 P CB 0.689 32.476 31.700 0.144 0.000 0.949 182 L N 2.065 123.401 121.223 0.189 0.000 2.349 182 L HA 0.225 4.565 4.340 0.001 0.000 0.275 182 L C 1.638 178.645 176.870 0.228 0.000 1.115 182 L CA -0.319 54.698 54.840 0.295 0.000 0.820 182 L CB 0.415 42.680 42.059 0.342 0.000 1.135 182 L HN 0.345 nan 8.230 nan 0.000 0.445 183 L N 3.070 124.464 121.223 0.284 0.000 2.575 183 L HA 0.232 4.572 4.340 0.001 0.000 0.228 183 L C -0.254 176.761 176.870 0.241 0.000 1.075 183 L CA 0.210 55.115 54.840 0.107 0.000 0.867 183 L CB 0.820 42.724 42.059 -0.258 0.000 1.097 183 L HN 0.314 nan 8.230 nan 0.000 0.485 184 V N 1.458 121.525 119.914 0.255 0.000 2.525 184 V HA 0.215 4.335 4.120 0.001 0.000 0.299 184 V C -0.283 175.908 176.094 0.161 0.000 1.034 184 V CA -1.017 61.378 62.300 0.158 0.000 0.863 184 V CB 1.775 33.648 31.823 0.084 0.000 0.999 184 V HN 0.169 nan 8.190 nan 0.000 0.423 185 K N 2.506 122.902 120.400 -0.007 0.000 2.185 185 K HA 0.336 4.656 4.320 0.001 0.000 0.271 185 K C -0.257 176.325 176.600 -0.029 0.000 1.013 185 K CA -0.343 55.905 56.287 -0.066 0.000 0.943 185 K CB 0.765 33.021 32.500 -0.407 0.000 0.998 185 K HN 0.632 nan 8.250 nan 0.000 0.468 186 D N 0.795 121.200 120.400 0.009 0.000 2.811 186 D HA -0.172 4.468 4.640 0.001 0.000 0.231 186 D C -0.850 175.463 176.300 0.021 0.000 1.157 186 D CA 1.510 55.518 54.000 0.013 0.000 0.716 186 D CB -0.671 40.122 40.800 -0.012 0.000 1.077 186 D HN 0.775 nan 8.370 nan 0.000 0.428 187 D N -1.399 119.026 120.400 0.041 0.000 2.474 187 D HA 0.388 5.029 4.640 0.001 0.000 0.234 187 D C 0.851 177.190 176.300 0.065 0.000 1.323 187 D CA 0.170 54.196 54.000 0.043 0.000 0.915 187 D CB 0.513 41.331 40.800 0.030 0.000 1.487 187 D HN -0.022 nan 8.370 nan 0.000 0.524 188 A N 2.638 125.498 122.820 0.067 0.000 1.933 188 A HA -0.161 4.159 4.320 0.001 0.000 0.218 188 A C 1.625 179.260 177.584 0.085 0.000 1.175 188 A CA 1.451 53.537 52.037 0.083 0.000 0.628 188 A CB -0.047 18.994 19.000 0.067 0.000 0.814 188 A HN 0.477 nan 8.150 nan 0.000 0.444 189 D N 0.198 120.637 120.400 0.065 0.000 2.117 189 D HA -0.063 4.577 4.640 0.001 0.000 0.197 189 D C 2.230 178.571 176.300 0.068 0.000 0.987 189 D CA 1.540 55.577 54.000 0.062 0.000 0.829 189 D CB -0.486 40.341 40.800 0.045 0.000 0.961 189 D HN 0.434 nan 8.370 nan 0.000 0.460 190 A N 0.877 123.733 122.820 0.061 0.000 1.902 190 A HA -0.215 4.105 4.320 0.001 0.000 0.217 190 A C 1.983 179.613 177.584 0.077 0.000 1.181 190 A CA 2.022 54.092 52.037 0.054 0.000 0.623 190 A CB -0.669 18.355 19.000 0.040 0.000 0.818 190 A HN 0.170 nan 8.150 nan 0.000 0.443 191 D N -0.214 120.254 120.400 0.114 0.000 2.104 191 D HA -0.170 4.470 4.640 0.001 0.000 0.194 191 D C 1.310 177.770 176.300 0.267 0.000 0.994 191 D CA 1.652 55.764 54.000 0.188 0.000 0.830 191 D CB -0.158 40.781 40.800 0.231 0.000 0.959 191 D HN 0.345 nan 8.370 nan 0.000 0.452 192 D N -0.415 120.115 120.400 0.215 0.000 2.123 192 D HA -0.119 4.522 4.640 0.001 0.000 0.196 192 D C 1.956 178.375 176.300 0.197 0.000 0.992 192 D CA 1.383 55.515 54.000 0.220 0.000 0.833 192 D CB -0.531 40.350 40.800 0.135 0.000 0.954 192 D HN 0.325 nan 8.370 nan 0.000 0.455 193 A N 0.534 123.429 122.820 0.125 0.000 1.902 193 A HA -0.191 4.129 4.320 0.001 0.000 0.217 193 A C 2.146 179.764 177.584 0.057 0.000 1.181 193 A CA 1.772 53.857 52.037 0.081 0.000 0.623 193 A CB -0.461 18.568 19.000 0.048 0.000 0.818 193 A HN 0.134 nan 8.150 nan 0.000 0.443 194 E N -0.850 119.365 120.200 0.026 0.000 2.047 194 E HA -0.173 4.177 4.350 0.001 0.000 0.191 194 E C 1.678 178.192 176.600 -0.143 0.000 0.987 194 E CA 1.419 57.760 56.400 -0.097 0.000 0.799 194 E CB -0.412 29.174 29.700 -0.190 0.000 0.752 194 E HN 0.733 nan 8.360 nan 0.000 0.449 195 W N 0.721 121.993 121.300 -0.047 0.000 2.358 195 W HA -0.134 4.526 4.660 0.000 0.000 0.303 195 W C 2.167 178.700 176.519 0.023 0.000 1.208 195 W CA 1.116 58.404 57.345 -0.095 0.000 1.274 195 W CB -0.352 29.095 29.460 -0.022 0.000 1.138 195 W HN 0.210 nan 8.180 nan 0.000 0.515 196 D N 0.068 120.651 120.400 0.306 0.000 2.149 196 D HA -0.213 4.428 4.640 0.001 0.000 0.198 196 D C 2.123 178.506 176.300 0.139 0.000 0.990 196 D CA 1.415 55.557 54.000 0.237 0.000 0.839 196 D CB -0.212 40.681 40.800 0.154 0.000 0.948 196 D HN -0.005 nan 8.370 nan 0.000 0.460 197 R N -0.412 120.120 120.500 0.054 0.000 2.075 197 R HA -0.042 4.299 4.340 0.001 0.000 0.232 197 R C 2.465 178.735 176.300 -0.049 0.000 1.126 197 R CA 0.906 57.000 56.100 -0.010 0.000 0.963 197 R CB -0.214 30.058 30.300 -0.047 0.000 0.858 197 R HN 0.248 nan 8.270 nan 0.000 0.435 198 L N -0.565 120.598 121.223 -0.100 0.000 2.027 198 L HA -0.175 4.165 4.340 0.001 0.000 0.206 198 L C 2.289 179.114 176.870 -0.075 0.000 1.074 198 L CA 1.177 55.911 54.840 -0.176 0.000 0.745 198 L CB -0.628 41.220 42.059 -0.352 0.000 0.898 198 L HN 0.187 nan 8.230 nan 0.000 0.433 199 Y N 0.474 120.796 120.300 0.037 0.000 2.224 199 Y HA -0.234 4.316 4.550 0.000 0.000 0.289 199 Y C 2.881 178.775 175.900 -0.009 0.000 1.146 199 Y CA 1.554 59.679 58.100 0.043 0.000 1.182 199 Y CB -1.138 37.374 38.460 0.087 0.000 0.983 199 Y HN 0.151 nan 8.280 nan 0.000 0.524 200 T N -0.375 114.262 114.554 0.139 0.000 2.746 200 T HA -0.211 4.139 4.350 0.001 0.000 0.267 200 T C 1.980 176.654 174.700 -0.044 0.000 1.039 200 T CA 1.686 63.813 62.100 0.046 0.000 1.142 200 T CB -0.163 68.722 68.868 0.027 0.000 0.866 200 T HN 0.230 nan 8.240 nan 0.000 0.444 201 K N 0.837 121.160 120.400 -0.129 0.000 2.057 201 K HA 0.030 4.350 4.320 0.001 0.000 0.206 201 K C 2.571 178.897 176.600 -0.457 0.000 1.050 201 K CA 1.038 57.123 56.287 -0.337 0.000 0.935 201 K CB -0.300 31.958 32.500 -0.404 0.000 0.715 201 K HN 0.263 nan 8.250 nan 0.000 0.439 202 A N 1.425 124.100 122.820 -0.241 0.000 1.908 202 A HA -0.229 4.091 4.320 0.001 0.000 0.218 202 A C 1.826 179.456 177.584 0.078 0.000 1.181 202 A CA 1.882 53.865 52.037 -0.091 0.000 0.627 202 A CB -0.533 18.500 19.000 0.055 0.000 0.818 202 A HN 0.464 nan 8.150 nan 0.000 0.445 203 E N 0.079 120.347 120.200 0.113 0.000 2.153 203 E HA -0.153 4.197 4.350 0.001 0.000 0.194 203 E C 2.369 179.052 176.600 0.138 0.000 0.988 203 E CA 1.423 57.922 56.400 0.165 0.000 0.811 203 E CB -0.156 29.609 29.700 0.109 0.000 0.746 203 E HN 0.837 nan 8.360 nan 0.000 0.466 204 S N -0.022 115.701 115.700 0.040 0.000 2.395 204 S HA -0.139 4.331 4.470 0.001 0.000 0.225 204 S C 1.897 176.602 174.600 0.175 0.000 1.027 204 S CA 0.481 58.717 58.200 0.061 0.000 0.965 204 S CB -0.431 62.761 63.200 -0.013 0.000 0.812 204 S HN 0.183 nan 8.310 nan 0.000 0.482 205 Y N 0.863 121.178 120.300 0.026 0.000 2.165 205 Y HA 0.076 4.626 4.550 0.001 0.000 0.286 205 Y C 1.981 177.923 175.900 0.069 0.000 1.155 205 Y CA 0.025 58.110 58.100 -0.024 0.000 1.164 205 Y CB -1.044 37.313 38.460 -0.170 0.000 0.978 205 Y HN 0.303 nan 8.280 nan 0.000 0.513 206 F N 0.194 120.299 119.950 0.259 0.000 2.789 206 F HA 0.058 4.585 4.527 0.000 0.000 0.300 206 F C 0.744 176.658 175.800 0.190 0.000 1.132 206 F CA 0.031 58.175 58.000 0.241 0.000 1.404 206 F CB -0.364 38.803 39.000 0.278 0.000 1.114 206 F HN -0.012 nan 8.300 nan 0.000 0.584 207 Q N 0.622 120.616 119.800 0.322 0.000 2.452 207 Q HA -0.197 4.144 4.340 0.001 0.000 0.318 207 Q C 0.040 176.130 176.000 0.150 0.000 1.386 207 Q CA 0.738 56.655 55.803 0.189 0.000 0.872 207 Q CB -2.567 26.257 28.738 0.144 0.000 1.151 207 Q HN 0.205 nan 8.270 nan 0.000 0.417 208 T N -0.035 114.620 114.554 0.168 0.000 2.916 208 T HA 0.480 4.830 4.350 0.001 0.000 0.303 208 T C 0.774 175.510 174.700 0.060 0.000 1.025 208 T CA 0.501 62.667 62.100 0.109 0.000 1.142 208 T CB 1.359 70.303 68.868 0.126 0.000 0.947 208 T HN 0.496 nan 8.240 nan 0.000 0.544 209 G N 0.657 109.477 108.800 0.033 0.000 2.695 209 G HA2 0.554 4.514 3.960 0.001 0.000 0.290 209 G HA3 0.554 4.514 3.960 0.001 0.000 0.290 209 G C 0.049 174.963 174.900 0.023 0.000 1.410 209 G CA -0.658 44.453 45.100 0.019 0.000 0.844 209 G HN 0.621 nan 8.290 nan 0.000 0.478 210 T N -2.418 112.150 114.554 0.024 0.000 3.339 210 T HA 0.281 4.631 4.350 0.001 0.000 0.292 210 T C 0.029 174.753 174.700 0.040 0.000 1.012 210 T CA 0.384 62.508 62.100 0.041 0.000 0.937 210 T CB 0.374 69.269 68.868 0.046 0.000 1.164 210 T HN 0.467 nan 8.240 nan 0.000 0.509 211 D N 0.050 120.456 120.400 0.011 0.000 2.520 211 D HA 0.090 4.731 4.640 0.001 0.000 0.223 211 D C 1.358 177.610 176.300 -0.080 0.000 1.186 211 D CA -0.112 53.876 54.000 -0.020 0.000 0.821 211 D CB -0.103 40.678 40.800 -0.032 0.000 1.072 211 D HN 0.252 nan 8.370 nan 0.000 0.518 212 Q N -0.462 119.292 119.800 -0.077 0.000 2.369 212 Q HA 0.181 4.521 4.340 0.001 0.000 0.206 212 Q C 0.235 175.884 176.000 -0.585 0.000 0.963 212 Q CA 0.834 56.470 55.803 -0.278 0.000 0.894 212 Q CB -0.230 28.336 28.738 -0.287 0.000 0.965 212 Q HN 0.289 nan 8.270 nan 0.000 0.475 213 F N 0.017 119.816 119.950 -0.251 0.000 2.698 213 F HA 0.228 4.755 4.527 0.000 0.000 0.304 213 F C 1.259 176.894 175.800 -0.274 0.000 1.108 213 F CA -0.500 57.307 58.000 -0.321 0.000 1.263 213 F CB 0.326 39.016 39.000 -0.518 0.000 1.013 213 F HN 0.008 nan 8.300 nan 0.000 0.532 214 K N 0.327 120.664 120.400 -0.105 0.000 2.283 214 K HA -0.073 4.247 4.320 0.001 0.000 0.202 214 K C 0.623 177.184 176.600 -0.065 0.000 1.048 214 K CA 1.545 57.830 56.287 -0.005 0.000 0.948 214 K CB -0.148 32.330 32.500 -0.038 0.000 0.742 214 K HN 0.317 nan 8.250 nan 0.000 0.458 215 E N 1.583 121.641 120.200 -0.236 0.000 2.499 215 E HA 0.056 4.406 4.350 0.001 0.000 0.199 215 E C -0.681 175.821 176.600 -0.163 0.000 1.016 215 E CA -0.301 55.789 56.400 -0.517 0.000 0.933 215 E CB 0.987 30.189 29.700 -0.829 0.000 1.050 215 E HN 0.190 nan 8.360 nan 0.000 0.462 216 S N 0.793 116.529 115.700 0.061 0.000 2.528 216 S HA 0.171 4.641 4.470 0.001 0.000 0.277 216 S C 1.256 175.999 174.600 0.239 0.000 1.297 216 S CA -0.429 57.861 58.200 0.149 0.000 1.052 216 S CB 0.474 63.816 63.200 0.237 0.000 0.917 216 S HN 0.201 nan 8.310 nan 0.000 0.492 217 I N 5.021 125.608 120.570 0.028 0.000 2.179 217 I HA -0.164 4.006 4.170 0.001 0.000 0.242 217 I C 2.705 178.749 176.117 -0.123 0.000 1.088 217 I CA 1.121 62.225 61.300 -0.327 0.000 1.357 217 I CB -0.250 37.303 38.000 -0.745 0.000 1.051 217 I HN 0.709 nan 8.210 nan 0.000 0.409 218 R N -0.345 120.132 120.500 -0.038 0.000 2.083 218 R HA -0.251 4.089 4.340 0.001 0.000 0.237 218 R C 2.376 178.742 176.300 0.110 0.000 1.137 218 R CA 1.988 58.108 56.100 0.033 0.000 0.951 218 R CB -0.800 29.519 30.300 0.032 0.000 0.851 218 R HN 0.451 nan 8.270 nan 0.000 0.434 219 H N 1.199 120.327 119.070 0.097 0.000 2.293 219 H HA -0.043 4.513 4.556 0.001 0.000 0.300 219 H C 1.794 177.217 175.328 0.158 0.000 1.082 219 H CA 1.884 58.003 56.048 0.117 0.000 1.308 219 H CB -0.135 29.733 29.762 0.176 0.000 1.375 219 H HN 0.117 nan 8.280 nan 0.000 0.495 220 N N 0.137 118.953 118.700 0.194 0.000 2.244 220 N HA -0.120 4.620 4.740 0.001 0.000 0.183 220 N C 2.008 177.658 175.510 0.234 0.000 1.016 220 N CA 0.945 54.136 53.050 0.235 0.000 0.866 220 N CB -0.224 38.601 38.487 0.563 0.000 0.980 220 N HN 0.310 nan 8.380 nan 0.000 0.430 221 L N 1.296 122.697 121.223 0.296 0.000 1.989 221 L HA -0.116 4.225 4.340 0.001 0.000 0.211 221 L C 2.150 179.076 176.870 0.094 0.000 1.071 221 L CA 1.413 56.410 54.840 0.262 0.000 0.749 221 L CB -0.699 41.494 42.059 0.223 0.000 0.890 221 L HN -0.128 nan 8.230 nan 0.000 0.431 222 V N -0.731 119.198 119.914 0.025 0.000 2.307 222 V HA -0.252 3.869 4.120 0.001 0.000 0.245 222 V C 2.453 178.482 176.094 -0.109 0.000 1.045 222 V CA 1.668 63.949 62.300 -0.032 0.000 1.024 222 V CB -0.675 31.111 31.823 -0.061 0.000 0.651 222 V HN 0.496 nan 8.190 nan 0.000 0.449 223 L N 0.815 121.933 121.223 -0.174 0.000 2.017 223 L HA -0.184 4.157 4.340 0.001 0.000 0.208 223 L C 2.140 178.934 176.870 -0.127 0.000 1.073 223 L CA 2.344 57.066 54.840 -0.196 0.000 0.745 223 L CB -1.055 40.837 42.059 -0.279 0.000 0.894 223 L HN 0.369 nan 8.230 nan 0.000 0.432 224 N N -0.503 118.164 118.700 -0.054 0.000 2.104 224 N HA -0.263 4.477 4.740 0.001 0.000 0.190 224 N C 1.862 177.339 175.510 -0.055 0.000 1.024 224 N CA 1.488 54.518 53.050 -0.034 0.000 0.853 224 N CB -0.139 38.341 38.487 -0.012 0.000 1.008 224 N HN 0.250 nan 8.380 nan 0.000 0.424 225 K N 0.468 120.838 120.400 -0.051 0.000 2.057 225 K HA 0.019 4.339 4.320 0.001 0.000 0.207 225 K C 1.797 178.351 176.600 -0.077 0.000 1.049 225 K CA 1.154 57.415 56.287 -0.044 0.000 0.931 225 K CB -0.391 32.104 32.500 -0.008 0.000 0.714 225 K HN 0.230 nan 8.250 nan 0.000 0.440 226 L N -0.112 120.999 121.223 -0.187 0.000 2.056 226 L HA -0.133 4.208 4.340 0.001 0.000 0.207 226 L C 2.263 178.952 176.870 -0.302 0.000 1.078 226 L CA 1.598 56.209 54.840 -0.382 0.000 0.749 226 L CB -0.793 40.660 42.059 -1.010 0.000 0.901 226 L HN 0.210 nan 8.230 nan 0.000 0.433 227 T N -0.444 113.983 114.554 -0.212 0.000 2.720 227 T HA -0.214 4.136 4.350 0.001 0.000 0.268 227 T C 1.750 176.492 174.700 0.070 0.000 1.037 227 T CA 1.608 63.729 62.100 0.035 0.000 1.144 227 T CB -0.148 68.745 68.868 0.042 0.000 0.864 227 T HN 0.417 nan 8.240 nan 0.000 0.444 228 E N 0.406 120.611 120.200 0.009 0.000 2.046 228 E HA -0.075 4.276 4.350 0.001 0.000 0.190 228 E C 2.514 179.110 176.600 -0.007 0.000 0.982 228 E CA 0.630 57.030 56.400 0.000 0.000 0.800 228 E CB -0.012 29.671 29.700 -0.029 0.000 0.756 228 E HN 0.390 nan 8.360 nan 0.000 0.449 229 E N 0.189 120.374 120.200 -0.025 0.000 2.153 229 E HA -0.160 4.190 4.350 0.001 0.000 0.194 229 E C 0.951 177.409 176.600 -0.236 0.000 0.988 229 E CA 1.107 57.429 56.400 -0.129 0.000 0.811 229 E CB -0.014 29.593 29.700 -0.155 0.000 0.746 229 E HN 0.411 nan 8.360 nan 0.000 0.466 230 Y N 1.115 121.450 120.300 0.057 0.000 2.658 230 Y HA 0.089 4.640 4.550 0.001 0.000 0.276 230 Y C 0.342 176.304 175.900 0.103 0.000 1.167 230 Y CA -0.528 57.644 58.100 0.120 0.000 1.230 230 Y CB 0.064 38.689 38.460 0.276 0.000 1.144 230 Y HN -0.131 nan 8.280 nan 0.000 0.529 231 K N -0.135 120.351 120.400 0.144 0.000 2.511 231 K HA 0.191 4.512 4.320 0.001 0.000 0.280 231 K C 1.229 177.884 176.600 0.092 0.000 1.008 231 K CA 1.017 57.367 56.287 0.106 0.000 1.050 231 K CB 0.152 32.684 32.500 0.052 0.000 0.889 231 K HN 0.412 nan 8.250 nan 0.000 0.484 232 G N 2.483 111.339 108.800 0.093 0.000 2.184 232 G HA2 -0.333 3.628 3.960 0.001 0.000 0.264 232 G HA3 -0.333 3.628 3.960 0.001 0.000 0.264 232 G C 0.659 175.612 174.900 0.089 0.000 0.975 232 G CA 0.767 45.911 45.100 0.074 0.000 0.642 232 G HN 0.741 nan 8.290 nan 0.000 0.536 233 Q N -1.421 118.459 119.800 0.133 0.000 2.586 233 Q HA 0.322 4.662 4.340 0.001 0.000 0.243 233 Q C 1.160 177.249 176.000 0.147 0.000 0.846 233 Q CA 0.147 56.041 55.803 0.152 0.000 0.959 233 Q CB 0.947 29.814 28.738 0.215 0.000 1.227 233 Q HN 0.445 nan 8.270 nan 0.000 0.611 234 R N 0.472 121.075 120.500 0.171 0.000 2.740 234 R HA 0.397 4.737 4.340 0.001 0.000 0.273 234 R C -1.713 174.609 176.300 0.037 0.000 0.998 234 R CA -0.718 55.384 56.100 0.004 0.000 0.900 234 R CB 1.790 31.899 30.300 -0.317 0.000 1.223 234 R HN -0.032 nan 8.270 nan 0.000 0.466 235 D N 1.077 121.429 120.400 -0.080 0.000 2.185 235 D HA 0.443 5.083 4.640 0.001 0.000 0.247 235 D C -0.875 175.310 176.300 -0.190 0.000 1.027 235 D CA 0.003 54.004 54.000 0.001 0.000 0.861 235 D CB 1.161 41.969 40.800 0.014 0.000 1.202 235 D HN 0.121 nan 8.370 nan 0.000 0.453 236 F N 0.648 120.599 119.950 0.002 0.000 2.561 236 F HA 0.461 4.988 4.527 0.000 0.000 0.321 236 F C 0.532 176.342 175.800 0.016 0.000 1.065 236 F CA -0.648 57.345 58.000 -0.012 0.000 0.934 236 F CB 1.759 40.745 39.000 -0.024 0.000 1.215 236 F HN 0.212 nan 8.300 nan 0.000 0.471 237 Q N -0.129 119.782 119.800 0.185 0.000 2.707 237 Q HA 0.349 4.689 4.340 0.001 0.000 0.307 237 Q C -1.527 174.581 176.000 0.179 0.000 0.934 237 Q CA -1.285 54.611 55.803 0.155 0.000 0.753 237 Q CB 1.759 30.556 28.738 0.098 0.000 1.478 237 Q HN 0.617 nan 8.270 nan 0.000 0.458 238 Q N 0.911 120.839 119.800 0.213 0.000 2.364 238 Q HA 0.206 4.546 4.340 0.001 0.000 0.267 238 Q C -0.505 175.556 176.000 0.103 0.000 0.999 238 Q CA -0.157 55.776 55.803 0.216 0.000 0.886 238 Q CB 0.487 29.322 28.738 0.161 0.000 1.243 238 Q HN 0.567 nan 8.270 nan 0.000 0.415 239 I N 6.544 127.151 120.570 0.062 0.000 2.826 239 I HA -0.064 4.106 4.170 0.001 0.000 0.295 239 I C -1.969 174.163 176.117 0.025 0.000 1.213 239 I CA -1.354 59.961 61.300 0.025 0.000 1.436 239 I CB 0.120 38.106 38.000 -0.023 0.000 1.348 239 I HN 0.456 nan 8.210 nan 0.000 0.570 240 P HA 0.239 nan 4.420 nan 0.000 0.271 240 P C -0.906 176.392 177.300 -0.003 0.000 1.233 240 P CA 0.129 63.237 63.100 0.013 0.000 0.764 240 P CB 0.442 32.140 31.700 -0.002 0.000 0.825 241 L N 2.480 123.710 121.223 0.011 0.000 2.365 241 L HA 0.626 4.966 4.340 0.001 0.000 0.273 241 L C 0.388 177.251 176.870 -0.011 0.000 1.000 241 L CA -1.165 53.678 54.840 0.005 0.000 0.819 241 L CB 2.068 44.192 42.059 0.108 0.000 1.284 241 L HN 0.245 nan 8.230 nan 0.000 0.418 242 A N 3.234 126.008 122.820 -0.077 0.000 2.671 242 A HA 0.738 5.058 4.320 0.001 0.000 0.306 242 A C 0.066 177.662 177.584 0.021 0.000 1.473 242 A CA 0.139 52.166 52.037 -0.017 0.000 1.155 242 A CB -0.410 18.505 19.000 -0.141 0.000 1.123 242 A HN 0.799 nan 8.150 nan 0.000 0.545 243 A N 1.777 124.579 122.820 -0.030 0.000 2.590 243 A HA 0.725 5.045 4.320 0.001 0.000 0.294 243 A C -0.505 176.963 177.584 -0.195 0.000 1.046 243 A CA -0.482 51.437 52.037 -0.197 0.000 0.684 243 A CB 0.691 19.373 19.000 -0.529 0.000 1.279 243 A HN 0.635 nan 8.150 nan 0.000 0.415 244 T N 1.419 115.833 114.554 -0.234 0.000 2.840 244 T HA 0.493 4.844 4.350 0.001 0.000 0.287 244 T C -0.039 174.519 174.700 -0.236 0.000 0.991 244 T CA -0.426 61.569 62.100 -0.176 0.000 0.964 244 T CB 1.188 70.008 68.868 -0.080 0.000 0.954 244 T HN 0.724 nan 8.240 nan 0.000 0.438 245 R N 2.344 122.696 120.500 -0.248 0.000 2.442 245 R HA 0.243 4.583 4.340 0.001 0.000 0.291 245 R C 0.771 176.997 176.300 -0.122 0.000 1.069 245 R CA -0.355 55.596 56.100 -0.247 0.000 1.022 245 R CB 0.381 30.499 30.300 -0.303 0.000 0.976 245 R HN 0.417 nan 8.270 nan 0.000 0.443 246 R N 1.120 121.599 120.500 -0.035 0.000 2.250 246 R HA 0.131 4.471 4.340 0.001 0.000 0.194 246 R C 0.251 176.531 176.300 -0.033 0.000 0.927 246 R CA 0.668 56.760 56.100 -0.014 0.000 1.052 246 R CB 0.376 30.689 30.300 0.021 0.000 1.055 246 R HN 0.764 nan 8.270 nan 0.000 0.537 247 S N -1.240 114.454 115.700 -0.010 0.000 2.643 247 S HA 0.389 4.860 4.470 0.001 0.000 0.270 247 S C -2.609 171.961 174.600 -0.050 0.000 1.166 247 S CA -1.053 57.130 58.200 -0.027 0.000 0.815 247 S CB 2.136 65.338 63.200 0.002 0.000 1.139 247 S HN -0.254 nan 8.310 nan 0.000 0.472 248 P HA 0.062 nan 4.420 nan 0.000 0.228 248 P C 0.947 178.212 177.300 -0.059 0.000 1.151 248 P CA 1.488 64.541 63.100 -0.077 0.000 0.770 248 P CB -0.216 31.451 31.700 -0.056 0.000 0.786 249 T N -6.764 107.788 114.554 -0.004 0.000 3.091 249 T HA 0.281 4.632 4.350 0.001 0.000 0.277 249 T C -0.241 174.498 174.700 0.065 0.000 0.996 249 T CA -0.340 61.774 62.100 0.023 0.000 0.897 249 T CB -0.555 68.347 68.868 0.056 0.000 1.109 249 T HN -0.127 nan 8.240 nan 0.000 0.534 250 F N 1.745 121.638 119.950 -0.095 0.000 2.539 250 F HA 0.689 5.216 4.527 0.000 0.000 0.318 250 F C -1.440 174.240 175.800 -0.198 0.000 1.135 250 F CA -1.183 56.760 58.000 -0.096 0.000 0.915 250 F CB 1.983 40.939 39.000 -0.072 0.000 1.176 250 F HN -0.111 nan 8.300 nan 0.000 0.440 251 V N 5.247 124.797 119.914 -0.608 0.000 2.487 251 V HA 0.284 4.404 4.120 0.001 0.000 0.298 251 V C -0.527 175.041 176.094 -0.877 0.000 1.028 251 V CA -0.870 61.007 62.300 -0.706 0.000 0.860 251 V CB 1.703 32.920 31.823 -1.010 0.000 0.991 251 V HN 0.726 nan 8.190 nan 0.000 0.427 252 E N 4.350 124.293 120.200 -0.427 0.000 2.001 252 E HA 0.199 4.549 4.350 0.001 0.000 0.279 252 E C -1.141 175.272 176.600 -0.311 0.000 1.045 252 E CA -0.523 55.784 56.400 -0.154 0.000 0.833 252 E CB 0.500 30.264 29.700 0.107 0.000 1.077 252 E HN 0.625 nan 8.360 nan 0.000 0.397 253 W N 3.109 124.321 121.300 -0.148 0.000 2.238 253 W HA 0.168 4.828 4.660 0.000 0.000 0.321 253 W C 0.556 177.090 176.519 0.025 0.000 1.293 253 W CA -0.598 56.613 57.345 -0.224 0.000 1.204 253 W CB 1.058 30.116 29.460 -0.670 0.000 1.167 253 W HN 0.343 nan 8.180 nan 0.000 0.553 254 S N 1.649 117.550 115.700 0.334 0.000 2.624 254 S HA 0.616 5.086 4.470 0.001 0.000 0.263 254 S C 0.144 175.174 174.600 0.716 0.000 1.287 254 S CA -0.596 57.871 58.200 0.446 0.000 0.990 254 S CB 1.177 64.646 63.200 0.448 0.000 0.950 254 S HN 0.518 nan 8.310 nan 0.000 0.561 255 S N -0.537 115.535 115.700 0.621 0.000 2.703 255 S HA 0.682 5.152 4.470 0.001 0.000 0.273 255 S C 0.761 175.565 174.600 0.341 0.000 1.178 255 S CA -0.318 58.192 58.200 0.517 0.000 0.838 255 S CB 0.534 63.965 63.200 0.384 0.000 1.178 255 S HN 0.731 nan 8.310 nan 0.000 0.494 256 A N 1.594 124.506 122.820 0.154 0.000 1.927 256 A HA -0.200 4.120 4.320 0.001 0.000 0.220 256 A C 2.008 179.636 177.584 0.073 0.000 1.185 256 A CA 2.199 54.279 52.037 0.073 0.000 0.639 256 A CB -1.545 17.465 19.000 0.017 0.000 0.820 256 A HN 0.872 nan 8.150 nan 0.000 0.451 257 N N -0.545 118.208 118.700 0.088 0.000 2.205 257 N HA -0.150 4.591 4.740 0.001 0.000 0.186 257 N C 1.476 177.014 175.510 0.046 0.000 1.015 257 N CA 1.971 55.045 53.050 0.041 0.000 0.862 257 N CB -0.225 38.300 38.487 0.063 0.000 0.986 257 N HN 0.480 nan 8.380 nan 0.000 0.429 258 T N 0.217 114.850 114.554 0.131 0.000 2.788 258 T HA -0.048 4.302 4.350 0.001 0.000 0.268 258 T C 2.032 176.770 174.700 0.063 0.000 1.044 258 T CA 0.993 63.176 62.100 0.138 0.000 1.139 258 T CB -0.100 68.930 68.868 0.270 0.000 0.867 258 T HN 0.056 nan 8.240 nan 0.000 0.454 259 V N -0.544 119.382 119.914 0.018 0.000 2.407 259 V HA 0.230 4.350 4.120 0.001 0.000 0.245 259 V C 0.371 176.408 176.094 -0.096 0.000 1.041 259 V CA 0.804 63.022 62.300 -0.136 0.000 1.040 259 V CB -0.283 31.401 31.823 -0.231 0.000 0.671 259 V HN 0.478 nan 8.190 nan 0.000 0.455 260 F N 1.015 120.830 119.950 -0.225 0.000 2.605 260 F HA 0.384 4.912 4.527 0.001 0.000 0.320 260 F C 0.245 175.925 175.800 -0.200 0.000 1.159 260 F CA -1.734 56.110 58.000 -0.261 0.000 0.999 260 F CB 1.450 40.244 39.000 -0.344 0.000 1.258 260 F HN 0.172 nan 8.300 nan 0.000 0.464 261 D N 4.528 124.454 120.400 -0.790 0.000 2.371 261 D HA -0.028 4.612 4.640 0.001 0.000 0.221 261 D C 1.161 177.134 176.300 -0.545 0.000 0.986 261 D CA 1.162 54.849 54.000 -0.522 0.000 0.899 261 D CB -0.007 40.560 40.800 -0.388 0.000 0.902 261 D HN 0.657 nan 8.370 nan 0.000 0.530 262 L N -2.116 118.543 121.223 -0.940 0.000 4.884 262 L HA -0.243 4.098 4.340 0.001 0.000 0.430 262 L C -0.256 176.525 176.870 -0.147 0.000 1.087 262 L CA 0.444 55.035 54.840 -0.414 0.000 1.033 262 L CB -1.296 40.712 42.059 -0.085 0.000 2.030 262 L HN 0.255 nan 8.230 nan 0.000 0.762 263 Q N 0.953 120.581 119.800 -0.287 0.000 2.314 263 Q HA 0.239 4.580 4.340 0.001 0.000 0.258 263 Q C 0.356 176.413 176.000 0.096 0.000 0.954 263 Q CA -0.062 55.686 55.803 -0.091 0.000 0.890 263 Q CB 0.689 29.349 28.738 -0.131 0.000 1.210 263 Q HN 0.122 nan 8.270 nan 0.000 0.410 264 N N 1.956 120.715 118.700 0.097 0.000 2.441 264 N HA 0.103 4.843 4.740 0.001 0.000 0.251 264 N C -0.278 175.299 175.510 0.112 0.000 1.242 264 N CA 0.392 53.507 53.050 0.107 0.000 0.898 264 N CB 0.617 39.074 38.487 -0.051 0.000 1.100 264 N HN 0.268 nan 8.380 nan 0.000 0.443 265 R N 1.077 121.671 120.500 0.157 0.000 2.795 265 R HA 0.479 4.820 4.340 0.001 0.000 0.275 265 R C -2.454 173.917 176.300 0.118 0.000 0.981 265 R CA -1.587 54.601 56.100 0.146 0.000 0.917 265 R CB 2.052 32.478 30.300 0.210 0.000 1.202 265 R HN 0.401 nan 8.270 nan 0.000 0.469 266 P HA 0.062 nan 4.420 nan 0.000 0.272 266 P C -1.330 176.028 177.300 0.097 0.000 1.223 266 P CA -0.126 63.073 63.100 0.164 0.000 0.784 266 P CB 0.649 32.504 31.700 0.258 0.000 0.923 267 N N -1.133 117.611 118.700 0.073 0.000 3.039 267 N HA 0.217 4.957 4.740 0.001 0.000 0.257 267 N C 0.489 176.015 175.510 0.026 0.000 1.497 267 N CA -0.741 52.333 53.050 0.039 0.000 0.861 267 N CB -0.535 37.965 38.487 0.023 0.000 1.479 267 N HN 0.070 nan 8.380 nan 0.000 0.547 268 T N -0.970 113.592 114.554 0.012 0.000 2.833 268 T HA -0.078 4.272 4.350 0.001 0.000 0.269 268 T C 0.323 175.023 174.700 0.001 0.000 1.054 268 T CA 1.472 63.575 62.100 0.005 0.000 1.135 268 T CB -0.381 68.487 68.868 -0.001 0.000 0.869 268 T HN 0.512 nan 8.240 nan 0.000 0.466 269 D N 1.145 121.544 120.400 -0.001 0.000 2.289 269 D HA 0.191 4.831 4.640 0.001 0.000 0.207 269 D C 0.885 177.187 176.300 0.002 0.000 0.966 269 D CA 0.451 54.447 54.000 -0.006 0.000 0.868 269 D CB 0.215 41.004 40.800 -0.018 0.000 0.943 269 D HN 0.399 nan 8.370 nan 0.000 0.514 270 A N 1.393 124.223 122.820 0.017 0.000 3.266 270 A HA 0.320 4.640 4.320 0.001 0.000 0.310 270 A C -2.060 175.561 177.584 0.062 0.000 1.066 270 A CA -0.853 51.207 52.037 0.039 0.000 0.839 270 A CB 0.996 20.026 19.000 0.051 0.000 1.192 270 A HN -0.153 nan 8.150 nan 0.000 0.496 271 P HA -0.017 nan 4.420 nan 0.000 0.236 271 P C 0.459 177.778 177.300 0.031 0.000 1.177 271 P CA 0.979 64.099 63.100 0.034 0.000 0.773 271 P CB 0.414 32.106 31.700 -0.013 0.000 0.878 272 E N -0.429 119.790 120.200 0.031 0.000 2.538 272 E HA 0.125 4.475 4.350 0.001 0.000 0.207 272 E C 0.138 176.933 176.600 0.325 0.000 1.002 272 E CA -0.095 56.314 56.400 0.015 0.000 0.952 272 E CB 0.487 30.115 29.700 -0.120 0.000 1.031 272 E HN 0.440 nan 8.360 nan 0.000 0.476 273 E N 0.990 121.360 120.200 0.283 0.000 2.250 273 E HA 0.441 4.792 4.350 0.001 0.000 0.265 273 E C -0.253 176.502 176.600 0.258 0.000 1.033 273 E CA -0.543 56.010 56.400 0.255 0.000 0.888 273 E CB 1.412 31.222 29.700 0.183 0.000 1.151 273 E HN -0.104 nan 8.360 nan 0.000 0.412 274 R N 1.648 122.258 120.500 0.184 0.000 2.500 274 R HA 0.412 4.753 4.340 0.001 0.000 0.299 274 R C -1.593 174.834 176.300 0.212 0.000 1.038 274 R CA -0.524 55.639 56.100 0.105 0.000 0.903 274 R CB 1.010 31.270 30.300 -0.067 0.000 1.177 274 R HN 0.392 nan 8.270 nan 0.000 0.455 275 F N 2.209 122.173 119.950 0.024 0.000 2.588 275 F HA 0.447 4.975 4.527 0.001 0.000 0.314 275 F C -1.598 174.146 175.800 -0.094 0.000 1.134 275 F CA -0.651 57.348 58.000 -0.003 0.000 0.961 275 F CB 2.029 41.101 39.000 0.121 0.000 1.239 275 F HN 0.391 nan 8.300 nan 0.000 0.448 276 N N 4.581 122.615 118.700 -1.110 0.000 2.258 276 N HA 0.629 5.369 4.740 0.001 0.000 0.299 276 N C -2.068 172.429 175.510 -1.688 0.000 1.047 276 N CA -0.689 51.645 53.050 -1.194 0.000 0.814 276 N CB 2.342 40.308 38.487 -0.869 0.000 1.413 276 N HN 0.554 nan 8.380 nan 0.000 0.478 277 L N 2.341 122.788 121.223 -1.293 0.000 2.307 277 L HA 0.649 4.989 4.340 0.001 0.000 0.284 277 L C -1.725 174.597 176.870 -0.914 0.000 1.023 277 L CA -0.372 53.955 54.840 -0.854 0.000 0.810 277 L CB 0.332 42.238 42.059 -0.255 0.000 1.231 277 L HN 0.482 nan 8.230 nan 0.000 0.423 278 F N 6.225 125.939 119.950 -0.394 0.000 2.552 278 F HA 0.537 5.064 4.527 0.000 0.000 0.369 278 F C -2.175 173.578 175.800 -0.078 0.000 1.112 278 F CA -1.978 55.879 58.000 -0.237 0.000 1.129 278 F CB 0.824 39.632 39.000 -0.319 0.000 1.360 278 F HN 0.404 nan 8.300 nan 0.000 0.473 279 P HA 0.331 nan 4.420 nan 0.000 0.276 279 P C 0.054 177.419 177.300 0.108 0.000 1.261 279 P CA -0.160 62.990 63.100 0.082 0.000 0.800 279 P CB 1.053 32.779 31.700 0.043 0.000 1.066 280 A N -1.163 121.704 122.820 0.078 0.000 2.822 280 A HA -0.104 4.216 4.320 0.001 0.000 0.287 280 A C -0.037 177.584 177.584 0.063 0.000 1.479 280 A CA 0.740 52.814 52.037 0.062 0.000 0.779 280 A CB -2.440 16.596 19.000 0.060 0.000 1.022 280 A HN 0.261 nan 8.150 nan 0.000 0.532 281 V N -0.192 119.775 119.914 0.090 0.000 2.407 281 V HA 0.673 4.793 4.120 0.001 0.000 0.291 281 V C 0.614 176.723 176.094 0.025 0.000 1.018 281 V CA -0.289 62.065 62.300 0.090 0.000 0.842 281 V CB 1.522 33.488 31.823 0.238 0.000 0.996 281 V HN 1.443 nan 8.190 nan 0.000 0.426 282 A N 4.264 127.067 122.820 -0.028 0.000 2.354 282 A HA 0.470 4.790 4.320 0.001 0.000 0.281 282 A C 0.088 177.647 177.584 -0.040 0.000 1.174 282 A CA -0.181 51.821 52.037 -0.058 0.000 0.828 282 A CB 0.015 18.998 19.000 -0.029 0.000 1.099 282 A HN 0.860 nan 8.150 nan 0.000 0.516 283 C N 2.839 122.089 119.300 -0.083 0.000 2.415 283 C HA 0.325 4.785 4.460 0.001 0.000 0.369 283 C C 1.411 176.360 174.990 -0.069 0.000 1.279 283 C CA -0.236 58.720 59.018 -0.103 0.000 1.886 283 C CB -0.344 27.328 27.740 -0.113 0.000 2.468 283 C HN 1.031 nan 8.230 nan 0.000 0.553 284 E N 0.975 121.154 120.200 -0.035 0.000 2.206 284 E HA 0.141 4.491 4.350 0.001 0.000 0.195 284 E C 0.329 176.893 176.600 -0.061 0.000 0.935 284 E CA 0.472 56.849 56.400 -0.037 0.000 0.875 284 E CB 0.477 30.166 29.700 -0.018 0.000 0.841 284 E HN 0.598 nan 8.360 nan 0.000 0.477 285 R N 0.333 120.812 120.500 -0.034 0.000 2.644 285 R HA 0.221 4.561 4.340 0.001 0.000 0.257 285 R C -1.479 174.827 176.300 0.011 0.000 1.082 285 R CA -0.445 55.632 56.100 -0.038 0.000 0.927 285 R CB 2.225 32.460 30.300 -0.107 0.000 1.258 285 R HN -0.049 nan 8.270 nan 0.000 0.459 286 V N -0.039 119.862 119.914 -0.022 0.000 2.472 286 V HA 0.638 4.758 4.120 0.001 0.000 0.290 286 V C -0.058 176.017 176.094 -0.031 0.000 1.037 286 V CA -0.755 61.501 62.300 -0.073 0.000 0.908 286 V CB 1.753 33.475 31.823 -0.168 0.000 0.985 286 V HN 0.392 nan 8.190 nan 0.000 0.454 287 V N 5.570 125.456 119.914 -0.047 0.000 2.385 287 V HA 0.435 4.556 4.120 0.001 0.000 0.269 287 V C 0.678 176.757 176.094 -0.026 0.000 1.043 287 V CA -0.423 61.874 62.300 -0.004 0.000 0.906 287 V CB 0.628 32.473 31.823 0.036 0.000 0.995 287 V HN 0.935 nan 8.190 nan 0.000 0.467 288 R N 3.772 124.275 120.500 0.006 0.000 2.441 288 R HA 0.282 4.623 4.340 0.001 0.000 0.284 288 R C 0.419 176.752 176.300 0.055 0.000 1.070 288 R CA -0.584 55.566 56.100 0.084 0.000 1.047 288 R CB 0.641 30.975 30.300 0.057 0.000 1.016 288 R HN 0.872 nan 8.270 nan 0.000 0.477 289 N N 1.567 120.311 118.700 0.074 0.000 2.263 289 N HA -0.021 4.719 4.740 0.001 0.000 0.239 289 N C 0.593 176.095 175.510 -0.013 0.000 1.317 289 N CA 0.270 53.332 53.050 0.020 0.000 0.909 289 N CB 0.268 38.764 38.487 0.013 0.000 1.171 289 N HN 0.545 nan 8.380 nan 0.000 0.492 290 A N -0.175 122.630 122.820 -0.025 0.000 1.898 290 A HA 0.005 4.325 4.320 0.001 0.000 0.216 290 A C 2.194 179.742 177.584 -0.060 0.000 1.181 290 A CA 0.966 52.982 52.037 -0.036 0.000 0.620 290 A CB -0.828 18.156 19.000 -0.028 0.000 0.819 290 A HN 0.617 nan 8.150 nan 0.000 0.442 291 L N -0.667 120.510 121.223 -0.077 0.000 2.599 291 L HA 0.008 4.349 4.340 0.001 0.000 0.230 291 L C -0.044 176.709 176.870 -0.194 0.000 1.141 291 L CA -0.030 54.746 54.840 -0.107 0.000 0.877 291 L CB -0.551 41.451 42.059 -0.095 0.000 1.009 291 L HN 0.393 nan 8.230 nan 0.000 0.447 292 N N 0.373 118.929 118.700 -0.240 0.000 2.738 292 N HA -0.171 4.569 4.740 0.001 0.000 0.249 292 N C 0.911 175.759 175.510 -1.103 0.000 1.047 292 N CA 1.049 53.787 53.050 -0.520 0.000 0.707 292 N CB -1.133 37.186 38.487 -0.280 0.000 0.937 292 N HN 0.561 nan 8.380 nan 0.000 0.545 293 S N -2.005 113.270 115.700 -0.708 0.000 2.632 293 S HA 0.278 4.749 4.470 0.001 0.000 0.237 293 S C 0.296 174.758 174.600 -0.231 0.000 1.037 293 S CA -0.149 57.747 58.200 -0.507 0.000 1.009 293 S CB 1.590 64.663 63.200 -0.212 0.000 0.974 293 S HN 0.401 nan 8.310 nan 0.000 0.544 294 E N 0.098 120.268 120.200 -0.051 0.000 2.390 294 E HA 0.432 4.783 4.350 0.001 0.000 0.280 294 E C -1.810 174.983 176.600 0.323 0.000 0.992 294 E CA -0.830 55.706 56.400 0.226 0.000 0.790 294 E CB 1.331 31.111 29.700 0.134 0.000 1.248 294 E HN 0.093 nan 8.360 nan 0.000 0.447 295 I N 3.258 123.953 120.570 0.209 0.000 2.385 295 I HA 0.173 4.343 4.170 0.001 0.000 0.294 295 I C 0.808 176.848 176.117 -0.127 0.000 0.988 295 I CA -0.052 61.194 61.300 -0.090 0.000 1.265 295 I CB 1.392 39.090 38.000 -0.503 0.000 1.388 295 I HN 0.674 nan 8.210 nan 0.000 0.480 296 E N 3.051 123.175 120.200 -0.127 0.000 2.340 296 E HA 0.088 4.439 4.350 0.001 0.000 0.198 296 E C 0.302 176.915 176.600 0.021 0.000 0.961 296 E CA 0.401 56.799 56.400 -0.004 0.000 0.905 296 E CB 0.589 30.301 29.700 0.020 0.000 0.884 296 E HN 0.717 nan 8.360 nan 0.000 0.491 297 S N -0.468 115.162 115.700 -0.116 0.000 2.615 297 S HA 0.495 4.965 4.470 0.001 0.000 0.268 297 S C -1.666 172.886 174.600 -0.080 0.000 1.146 297 S CA -1.056 57.149 58.200 0.008 0.000 0.818 297 S CB 1.213 64.401 63.200 -0.020 0.000 1.111 297 S HN 0.007 nan 8.310 nan 0.000 0.465 298 L N 1.652 122.902 121.223 0.046 0.000 2.349 298 L HA 0.661 5.001 4.340 0.001 0.000 0.278 298 L C -1.204 175.622 176.870 -0.073 0.000 0.996 298 L CA -0.149 54.697 54.840 0.009 0.000 0.825 298 L CB 1.092 43.193 42.059 0.070 0.000 1.243 298 L HN 0.934 nan 8.230 nan 0.000 0.412 299 H N 5.292 124.317 119.070 -0.076 0.000 2.620 299 H HA 0.582 5.138 4.556 0.000 0.000 0.313 299 H C -0.084 175.185 175.328 -0.099 0.000 1.075 299 H CA 0.431 56.439 56.048 -0.066 0.000 1.397 299 H CB 0.744 30.472 29.762 -0.058 0.000 1.446 299 H HN 0.667 nan 8.280 nan 0.000 0.493 300 I N -0.065 120.512 120.570 0.011 0.000 2.846 300 I HA 0.532 4.703 4.170 0.001 0.000 0.307 300 I C -0.935 175.272 176.117 0.150 0.000 1.053 300 I CA -1.120 60.163 61.300 -0.027 0.000 1.050 300 I CB 2.453 40.287 38.000 -0.278 0.000 1.239 300 I HN 0.490 nan 8.210 nan 0.000 0.439 301 H N 2.805 121.889 119.070 0.024 0.000 3.013 301 H HA 0.380 4.936 4.556 0.000 0.000 0.326 301 H C -1.648 173.732 175.328 0.087 0.000 0.973 301 H CA -0.794 55.288 56.048 0.057 0.000 1.369 301 H CB 1.090 30.872 29.762 0.034 0.000 1.598 301 H HN 0.709 nan 8.280 nan 0.000 0.518 302 D N 5.143 125.691 120.400 0.246 0.000 2.339 302 D HA 0.017 4.657 4.640 0.001 0.000 0.256 302 D C 1.057 177.315 176.300 -0.070 0.000 1.214 302 D CA -0.100 53.972 54.000 0.120 0.000 0.877 302 D CB 0.835 41.786 40.800 0.252 0.000 1.111 302 D HN 0.701 nan 8.370 nan 0.000 0.478 303 L N 4.093 125.227 121.223 -0.147 0.000 2.478 303 L HA -0.080 4.261 4.340 0.001 0.000 0.223 303 L C 1.739 178.579 176.870 -0.049 0.000 1.140 303 L CA 0.098 54.819 54.840 -0.198 0.000 0.842 303 L CB -0.045 41.951 42.059 -0.105 0.000 0.953 303 L HN 0.506 nan 8.230 nan 0.000 0.452 304 I N -0.656 119.920 120.570 0.010 0.000 2.429 304 I HA -0.108 4.062 4.170 0.001 0.000 0.247 304 I C 2.694 178.843 176.117 0.053 0.000 1.099 304 I CA 1.457 62.779 61.300 0.037 0.000 1.422 304 I CB -1.148 36.883 38.000 0.052 0.000 1.112 304 I HN 0.240 nan 8.210 nan 0.000 0.430 305 S N 0.472 116.220 115.700 0.080 0.000 2.470 305 S HA 0.130 4.601 4.470 0.001 0.000 0.225 305 S C 1.843 176.499 174.600 0.092 0.000 1.006 305 S CA 0.778 59.033 58.200 0.091 0.000 0.934 305 S CB 0.039 63.315 63.200 0.127 0.000 0.778 305 S HN 0.587 nan 8.310 nan 0.000 0.517 306 G N 1.067 109.942 108.800 0.125 0.000 2.179 306 G HA2 -0.208 3.753 3.960 0.001 0.000 0.260 306 G HA3 -0.208 3.753 3.960 0.001 0.000 0.260 306 G C -0.379 174.631 174.900 0.183 0.000 0.977 306 G CA 0.190 45.417 45.100 0.212 0.000 0.641 306 G HN 0.562 nan 8.290 nan 0.000 0.533 307 D N 0.474 120.939 120.400 0.109 0.000 2.372 307 D HA 0.455 5.096 4.640 0.001 0.000 0.243 307 D C 0.834 177.066 176.300 -0.112 0.000 1.121 307 D CA 0.265 54.194 54.000 -0.117 0.000 0.898 307 D CB 0.591 41.253 40.800 -0.231 0.000 1.202 307 D HN 0.294 nan 8.370 nan 0.000 0.428 308 R N 1.814 122.096 120.500 -0.363 0.000 2.437 308 R HA 0.501 4.842 4.340 0.001 0.000 0.310 308 R C -0.791 175.275 176.300 -0.390 0.000 0.955 308 R CA -0.596 55.374 56.100 -0.217 0.000 0.851 308 R CB 1.050 31.239 30.300 -0.185 0.000 1.161 308 R HN 0.317 nan 8.270 nan 0.000 0.446 309 F N 0.126 120.051 119.950 -0.041 0.000 2.640 309 F HA 0.413 4.941 4.527 0.000 0.000 0.324 309 F C 0.299 176.001 175.800 -0.164 0.000 1.077 309 F CA -1.027 56.922 58.000 -0.085 0.000 0.965 309 F CB 1.812 40.760 39.000 -0.086 0.000 1.351 309 F HN 0.192 nan 8.300 nan 0.000 0.487 310 E N 1.717 121.924 120.200 0.013 0.000 2.183 310 E HA 0.507 4.857 4.350 0.001 0.000 0.271 310 E C -1.212 175.367 176.600 -0.035 0.000 0.919 310 E CA -0.766 55.549 56.400 -0.142 0.000 0.781 310 E CB 2.454 32.001 29.700 -0.256 0.000 1.140 310 E HN 0.217 nan 8.360 nan 0.000 0.402 311 I N 2.429 122.978 120.570 -0.034 0.000 2.441 311 I HA 0.306 4.477 4.170 0.001 0.000 0.295 311 I C 0.048 176.241 176.117 0.126 0.000 0.994 311 I CA -0.741 60.586 61.300 0.045 0.000 1.144 311 I CB 1.455 39.466 38.000 0.018 0.000 1.314 311 I HN 0.329 nan 8.210 nan 0.000 0.445 312 K N 3.900 124.381 120.400 0.134 0.000 2.138 312 K HA 0.867 5.187 4.320 0.001 0.000 0.263 312 K C -0.689 175.978 176.600 0.110 0.000 0.965 312 K CA -0.537 55.846 56.287 0.160 0.000 0.868 312 K CB 2.505 35.061 32.500 0.094 0.000 1.083 312 K HN 0.795 nan 8.250 nan 0.000 0.443 313 A N 1.551 124.386 122.820 0.024 0.000 2.606 313 A HA 0.286 4.606 4.320 0.001 0.000 0.293 313 A C -0.421 177.067 177.584 -0.160 0.000 1.082 313 A CA -0.706 51.203 52.037 -0.213 0.000 0.685 313 A CB 1.085 19.723 19.000 -0.604 0.000 1.284 313 A HN 0.713 nan 8.150 nan 0.000 0.408 314 D N -0.369 119.974 120.400 -0.095 0.000 2.123 314 D HA 0.056 4.696 4.640 0.001 0.000 0.200 314 D C 0.408 176.645 176.300 -0.105 0.000 0.976 314 D CA 1.854 55.863 54.000 0.014 0.000 0.831 314 D CB 0.153 41.012 40.800 0.098 0.000 0.974 314 D HN 0.249 nan 8.370 nan 0.000 0.469 315 V N 0.535 120.236 119.914 -0.354 0.000 2.588 315 V HA 0.278 4.398 4.120 0.001 0.000 0.304 315 V C -1.219 174.640 176.094 -0.392 0.000 1.042 315 V CA -0.859 61.236 62.300 -0.341 0.000 0.877 315 V CB 1.870 33.350 31.823 -0.571 0.000 0.996 315 V HN -0.059 nan 8.190 nan 0.000 0.425 316 Y N 2.719 123.007 120.300 -0.019 0.000 2.341 316 Y HA 0.706 5.257 4.550 0.000 0.000 0.338 316 Y C -0.115 175.749 175.900 -0.061 0.000 0.965 316 Y CA -0.891 57.181 58.100 -0.046 0.000 1.108 316 Y CB 2.184 40.615 38.460 -0.048 0.000 1.180 316 Y HN 0.358 nan 8.280 nan 0.000 0.458 317 V N 5.407 125.280 119.914 -0.068 0.000 2.487 317 V HA 0.412 4.532 4.120 0.001 0.000 0.298 317 V C -0.508 175.451 176.094 -0.225 0.000 1.028 317 V CA -0.950 61.202 62.300 -0.247 0.000 0.860 317 V CB 1.758 33.202 31.823 -0.631 0.000 0.991 317 V HN 0.584 nan 8.190 nan 0.000 0.427 318 L N 5.024 126.112 121.223 -0.225 0.000 2.280 318 L HA 0.593 4.934 4.340 0.001 0.000 0.287 318 L C 0.332 177.094 176.870 -0.179 0.000 1.023 318 L CA -0.176 54.552 54.840 -0.187 0.000 0.819 318 L CB 1.644 43.574 42.059 -0.216 0.000 1.212 318 L HN 0.836 nan 8.230 nan 0.000 0.420 319 T N -1.631 112.855 114.554 -0.113 0.000 3.697 319 T HA 0.346 4.697 4.350 0.001 0.000 0.260 319 T C 0.590 175.293 174.700 0.004 0.000 0.998 319 T CA -0.072 62.001 62.100 -0.045 0.000 1.128 319 T CB 0.965 69.806 68.868 -0.045 0.000 1.082 319 T HN 0.536 nan 8.240 nan 0.000 0.541 320 A N 0.771 123.602 122.820 0.018 0.000 2.307 320 A HA 0.776 5.096 4.320 0.001 0.000 0.218 320 A C 1.398 179.052 177.584 0.116 0.000 1.228 320 A CA 0.128 52.199 52.037 0.057 0.000 0.857 320 A CB -0.697 18.331 19.000 0.046 0.000 0.897 320 A HN 1.755 nan 8.150 nan 0.000 0.495 321 G N -2.541 106.327 108.800 0.112 0.000 2.662 321 G HA2 0.266 4.227 3.960 0.001 0.000 0.686 321 G HA3 0.266 4.227 3.960 0.001 0.000 0.686 321 G C 0.722 175.718 174.900 0.159 0.000 1.271 321 G CA -0.311 44.864 45.100 0.125 0.000 0.816 321 G HN 1.260 nan 8.290 nan 0.000 0.608 322 A N -0.396 122.505 122.820 0.134 0.000 1.969 322 A HA 0.250 4.570 4.320 0.001 0.000 0.218 322 A C 2.627 180.292 177.584 0.136 0.000 1.169 322 A CA 3.070 55.184 52.037 0.128 0.000 0.635 322 A CB -0.310 18.733 19.000 0.073 0.000 0.810 322 A HN 1.572 nan 8.150 nan 0.000 0.445 323 V N -0.886 119.064 119.914 0.061 0.000 2.302 323 V HA -0.203 3.917 4.120 0.001 0.000 0.243 323 V C 2.198 178.324 176.094 0.054 0.000 1.036 323 V CA 2.152 64.459 62.300 0.011 0.000 1.020 323 V CB -1.025 30.678 31.823 -0.200 0.000 0.657 323 V HN 0.738 nan 8.190 nan 0.000 0.453 324 H N -0.369 118.772 119.070 0.119 0.000 2.512 324 H HA 0.001 4.557 4.556 0.001 0.000 0.279 324 H C 2.238 177.559 175.328 -0.011 0.000 0.999 324 H CA 0.736 56.808 56.048 0.040 0.000 1.283 324 H CB 0.133 29.898 29.762 0.005 0.000 1.421 324 H HN 0.321 nan 8.280 nan 0.000 0.554 325 N N 0.004 118.782 118.700 0.130 0.000 2.069 325 N HA -0.123 4.617 4.740 0.001 0.000 0.191 325 N C 1.770 177.269 175.510 -0.020 0.000 1.031 325 N CA 1.746 54.805 53.050 0.014 0.000 0.852 325 N CB -0.479 38.001 38.487 -0.012 0.000 1.018 325 N HN 0.311 nan 8.380 nan 0.000 0.423 326 T N 0.917 115.534 114.554 0.106 0.000 2.746 326 T HA -0.171 4.179 4.350 0.001 0.000 0.267 326 T C 1.854 176.448 174.700 -0.177 0.000 1.039 326 T CA 1.124 63.287 62.100 0.106 0.000 1.142 326 T CB -0.222 68.848 68.868 0.336 0.000 0.866 326 T HN 0.352 nan 8.240 nan 0.000 0.444 327 Q N 0.179 119.772 119.800 -0.345 0.000 2.061 327 Q HA -0.137 4.204 4.340 0.001 0.000 0.204 327 Q C 2.333 178.066 176.000 -0.445 0.000 0.984 327 Q CA 1.286 56.572 55.803 -0.862 0.000 0.846 327 Q CB -0.283 28.208 28.738 -0.412 0.000 0.902 327 Q HN 0.370 nan 8.270 nan 0.000 0.421 328 L N 0.615 121.705 121.223 -0.223 0.000 2.046 328 L HA -0.171 4.169 4.340 0.001 0.000 0.208 328 L C 2.060 178.841 176.870 -0.148 0.000 1.077 328 L CA 1.562 56.304 54.840 -0.163 0.000 0.747 328 L CB -0.459 41.525 42.059 -0.125 0.000 0.896 328 L HN 0.303 nan 8.230 nan 0.000 0.432 329 L N -2.031 119.084 121.223 -0.180 0.000 2.027 329 L HA -0.198 4.142 4.340 0.001 0.000 0.206 329 L C 2.422 179.324 176.870 0.053 0.000 1.074 329 L CA 0.995 55.749 54.840 -0.143 0.000 0.745 329 L CB -0.649 41.205 42.059 -0.342 0.000 0.898 329 L HN 0.082 nan 8.230 nan 0.000 0.433 330 V N 0.040 119.918 119.914 -0.061 0.000 2.332 330 V HA -0.299 3.821 4.120 0.001 0.000 0.248 330 V C 2.130 178.205 176.094 -0.030 0.000 1.055 330 V CA 2.078 64.364 62.300 -0.022 0.000 1.038 330 V CB -0.727 31.029 31.823 -0.112 0.000 0.651 330 V HN 0.483 nan 8.190 nan 0.000 0.450 331 N N 0.018 118.655 118.700 -0.105 0.000 2.453 331 N HA -0.093 4.648 4.740 0.001 0.000 0.183 331 N C 1.510 176.995 175.510 -0.042 0.000 1.041 331 N CA 1.127 54.129 53.050 -0.080 0.000 0.900 331 N CB -0.068 38.350 38.487 -0.114 0.000 0.961 331 N HN 0.420 nan 8.380 nan 0.000 0.443 332 S N -1.401 114.309 115.700 0.017 0.000 2.572 332 S HA 0.324 4.794 4.470 0.001 0.000 0.228 332 S C 1.090 175.695 174.600 0.008 0.000 0.963 332 S CA 0.230 58.455 58.200 0.042 0.000 0.939 332 S CB 0.438 63.722 63.200 0.139 0.000 0.804 332 S HN 0.513 nan 8.310 nan 0.000 0.480 333 G N 1.184 109.988 108.800 0.007 0.000 2.157 333 G HA2 -0.255 3.706 3.960 0.001 0.000 0.248 333 G HA3 -0.255 3.706 3.960 0.001 0.000 0.248 333 G C -0.028 174.813 174.900 -0.099 0.000 0.979 333 G CA -0.383 44.680 45.100 -0.062 0.000 0.650 333 G HN 0.438 nan 8.290 nan 0.000 0.529 334 F N 0.813 120.752 119.950 -0.018 0.000 2.406 334 F HA 0.509 5.036 4.527 0.000 0.000 0.327 334 F C 1.748 177.572 175.800 0.039 0.000 1.153 334 F CA 1.187 59.194 58.000 0.011 0.000 1.218 334 F CB 0.630 39.618 39.000 -0.021 0.000 1.215 334 F HN 0.752 nan 8.300 nan 0.000 0.570 335 G N 1.652 110.611 108.800 0.265 0.000 2.596 335 G HA2 -0.297 3.663 3.960 0.001 0.000 0.295 335 G HA3 -0.297 3.663 3.960 0.001 0.000 0.295 335 G C -0.662 174.323 174.900 0.141 0.000 1.240 335 G CA 0.421 45.638 45.100 0.196 0.000 0.985 335 G HN 0.873 nan 8.290 nan 0.000 0.555 336 Q N -1.432 118.457 119.800 0.150 0.000 2.309 336 Q HA 0.642 4.983 4.340 0.001 0.000 0.273 336 Q C -1.294 174.802 176.000 0.160 0.000 1.040 336 Q CA -0.943 54.930 55.803 0.116 0.000 0.834 336 Q CB 1.792 30.580 28.738 0.083 0.000 1.345 336 Q HN 0.847 nan 8.270 nan 0.000 0.414 337 L N 2.779 124.085 121.223 0.137 0.000 2.399 337 L HA 0.862 5.202 4.340 0.001 0.000 0.266 337 L C 0.376 177.341 176.870 0.159 0.000 1.114 337 L CA 1.799 56.750 54.840 0.184 0.000 0.804 337 L CB 1.344 43.483 42.059 0.134 0.000 1.146 337 L HN 0.852 nan 8.230 nan 0.000 0.451 338 G N 2.999 111.946 108.800 0.245 0.000 2.757 338 G HA2 -0.205 3.755 3.960 0.001 0.000 0.638 338 G HA3 -0.205 3.755 3.960 0.001 0.000 0.638 338 G C -0.542 174.286 174.900 -0.120 0.000 1.344 338 G CA -0.254 44.941 45.100 0.159 0.000 0.855 338 G HN 0.872 nan 8.290 nan 0.000 0.537 339 R N 1.182 121.380 120.500 -0.503 0.000 2.522 339 R HA 0.351 4.691 4.340 0.001 0.000 0.284 339 R C -1.509 174.385 176.300 -0.677 0.000 1.032 339 R CA -0.566 54.805 56.100 -1.214 0.000 1.049 339 R CB 0.225 29.997 30.300 -0.879 0.000 0.956 339 R HN 0.470 nan 8.270 nan 0.000 0.422 340 P HA -0.002 nan 4.420 nan 0.000 0.268 340 P C -1.313 175.840 177.300 -0.245 0.000 1.205 340 P CA 0.145 63.039 63.100 -0.343 0.000 0.771 340 P CB 0.437 31.970 31.700 -0.279 0.000 0.858 341 N N 2.540 121.153 118.700 -0.145 0.000 2.710 341 N HA 0.232 4.972 4.740 0.001 0.000 0.244 341 N C -2.051 173.421 175.510 -0.064 0.000 1.321 341 N CA -1.353 51.633 53.050 -0.106 0.000 0.758 341 N CB 0.743 39.172 38.487 -0.097 0.000 1.284 341 N HN 0.025 nan 8.380 nan 0.000 0.530 342 P HA -0.107 nan 4.420 nan 0.000 0.221 342 P C 1.269 178.555 177.300 -0.023 0.000 1.145 342 P CA 0.746 63.827 63.100 -0.031 0.000 0.795 342 P CB 0.238 31.920 31.700 -0.030 0.000 0.775 343 A N 1.034 123.837 122.820 -0.029 0.000 1.923 343 A HA -0.230 4.091 4.320 0.001 0.000 0.222 343 A C 1.167 178.743 177.584 -0.015 0.000 1.258 343 A CA 2.119 54.143 52.037 -0.021 0.000 0.670 343 A CB -1.365 17.620 19.000 -0.025 0.000 0.834 343 A HN 0.432 nan 8.150 nan 0.000 0.470 344 N N -0.796 117.894 118.700 -0.016 0.000 2.623 344 N HA 0.424 5.165 4.740 0.001 0.000 0.256 344 N C -3.584 171.925 175.510 -0.002 0.000 1.045 344 N CA -1.641 51.404 53.050 -0.008 0.000 0.863 344 N CB 1.205 39.687 38.487 -0.008 0.000 1.182 344 N HN 0.048 nan 8.380 nan 0.000 0.523 345 P HA 0.345 nan 4.420 nan 0.000 0.274 345 P C -2.506 174.812 177.300 0.029 0.000 1.246 345 P CA -0.919 62.192 63.100 0.020 0.000 0.795 345 P CB -0.299 31.418 31.700 0.029 0.000 1.006 346 P HA 0.065 nan 4.420 nan 0.000 0.269 346 P C 0.791 178.124 177.300 0.054 0.000 1.209 346 P CA 0.047 63.180 63.100 0.055 0.000 0.776 346 P CB 0.512 32.264 31.700 0.086 0.000 0.876 347 E N 1.790 122.015 120.200 0.042 0.000 2.112 347 E HA -0.031 4.320 4.350 0.001 0.000 0.190 347 E C 0.016 176.652 176.600 0.060 0.000 0.979 347 E CA 0.484 56.906 56.400 0.037 0.000 0.814 347 E CB 0.144 29.853 29.700 0.015 0.000 0.762 347 E HN 0.331 nan 8.360 nan 0.000 0.460 348 L N 2.077 123.346 121.223 0.077 0.000 2.280 348 L HA 0.223 4.564 4.340 0.001 0.000 0.287 348 L C -0.376 176.627 176.870 0.220 0.000 1.023 348 L CA -0.395 54.520 54.840 0.126 0.000 0.819 348 L CB 0.906 42.980 42.059 0.026 0.000 1.212 348 L HN 0.234 nan 8.230 nan 0.000 0.420 349 L N 6.188 127.561 121.223 0.251 0.000 3.664 349 L HA -0.168 4.172 4.340 0.001 0.000 0.560 349 L C -1.566 175.428 176.870 0.205 0.000 1.285 349 L CA -0.439 54.558 54.840 0.261 0.000 0.864 349 L CB -0.688 41.569 42.059 0.331 0.000 1.512 349 L HN 0.576 nan 8.230 nan 0.000 0.853 350 P HA -0.094 nan 4.420 nan 0.000 0.225 350 P C 1.234 178.635 177.300 0.167 0.000 1.148 350 P CA 0.992 64.175 63.100 0.139 0.000 0.779 350 P CB 0.306 32.069 31.700 0.104 0.000 0.780 351 S N -0.638 115.182 115.700 0.199 0.000 2.593 351 S HA 0.060 4.530 4.470 0.001 0.000 0.217 351 S C 0.822 175.582 174.600 0.268 0.000 0.966 351 S CA -0.383 57.979 58.200 0.271 0.000 0.914 351 S CB -0.688 62.669 63.200 0.262 0.000 0.776 351 S HN 0.073 nan 8.310 nan 0.000 0.523 352 L N 2.273 123.633 121.223 0.228 0.000 2.499 352 L HA 0.402 4.743 4.340 0.001 0.000 0.273 352 L C 1.210 178.220 176.870 0.233 0.000 1.195 352 L CA 1.194 56.169 54.840 0.225 0.000 0.882 352 L CB -0.298 41.883 42.059 0.204 0.000 1.133 352 L HN 0.344 nan 8.230 nan 0.000 0.483 353 G N 2.399 111.344 108.800 0.242 0.000 2.189 353 G HA2 -0.280 3.681 3.960 0.001 0.000 0.267 353 G HA3 -0.280 3.681 3.960 0.001 0.000 0.267 353 G C 0.456 175.475 174.900 0.199 0.000 0.975 353 G CA 0.430 45.671 45.100 0.235 0.000 0.644 353 G HN 0.834 nan 8.290 nan 0.000 0.537 354 S N -1.609 114.212 115.700 0.202 0.000 2.718 354 S HA 0.649 5.119 4.470 0.001 0.000 0.300 354 S C 0.398 175.117 174.600 0.198 0.000 1.117 354 S CA 0.109 58.363 58.200 0.089 0.000 1.002 354 S CB 0.873 64.041 63.200 -0.053 0.000 1.092 354 S HN 0.908 nan 8.310 nan 0.000 0.542 355 Y N -0.959 119.407 120.300 0.111 0.000 4.272 355 Y HA -0.201 4.349 4.550 0.000 0.000 0.232 355 Y C 0.517 176.495 175.900 0.130 0.000 1.149 355 Y CA 0.221 58.384 58.100 0.106 0.000 1.961 355 Y CB -2.153 36.365 38.460 0.098 0.000 1.611 355 Y HN 0.610 nan 8.280 nan 0.000 0.682 356 I N 0.077 120.787 120.570 0.233 0.000 2.696 356 I HA 0.491 4.662 4.170 0.001 0.000 0.284 356 I C 0.623 176.894 176.117 0.257 0.000 1.129 356 I CA 0.518 61.958 61.300 0.232 0.000 1.410 356 I CB 1.346 39.481 38.000 0.225 0.000 1.399 356 I HN 0.211 nan 8.210 nan 0.000 0.579 357 T N 1.844 116.511 114.554 0.190 0.000 2.893 357 T HA 0.658 5.008 4.350 0.001 0.000 0.293 357 T C -0.765 173.951 174.700 0.027 0.000 1.027 357 T CA -0.704 61.490 62.100 0.157 0.000 0.988 357 T CB 2.078 71.005 68.868 0.099 0.000 1.043 357 T HN 0.838 nan 8.240 nan 0.000 0.461 358 E N 1.316 121.505 120.200 -0.018 0.000 2.314 358 E HA 0.386 4.736 4.350 0.001 0.000 0.272 358 E C -0.958 175.732 176.600 0.150 0.000 0.884 358 E CA -0.558 55.810 56.400 -0.053 0.000 0.753 358 E CB 2.045 31.543 29.700 -0.336 0.000 1.213 358 E HN 0.716 nan 8.360 nan 0.000 0.432 359 Q N 1.049 120.956 119.800 0.178 0.000 2.340 359 Q HA 0.427 4.767 4.340 0.001 0.000 0.249 359 Q C -0.415 175.794 176.000 0.348 0.000 0.957 359 Q CA -0.278 55.691 55.803 0.275 0.000 0.882 359 Q CB 1.157 30.098 28.738 0.338 0.000 1.235 359 Q HN 0.458 nan 8.270 nan 0.000 0.439 360 S N 1.312 117.172 115.700 0.267 0.000 2.584 360 S HA 0.434 4.905 4.470 0.001 0.000 0.273 360 S C -0.758 173.924 174.600 0.136 0.000 1.311 360 S CA -0.586 57.677 58.200 0.106 0.000 1.034 360 S CB 0.511 63.676 63.200 -0.058 0.000 0.939 360 S HN 0.401 nan 8.310 nan 0.000 0.513 361 L N 3.909 125.174 121.223 0.070 0.000 2.438 361 L HA 0.738 5.078 4.340 0.001 0.000 0.270 361 L C -0.889 175.856 176.870 -0.207 0.000 0.972 361 L CA -0.668 54.105 54.840 -0.113 0.000 0.831 361 L CB 1.652 43.639 42.059 -0.120 0.000 1.273 361 L HN 0.480 nan 8.230 nan 0.000 0.405 362 V N 1.949 121.650 119.914 -0.354 0.000 2.715 362 V HA 0.747 4.868 4.120 0.001 0.000 0.310 362 V C -1.022 174.934 176.094 -0.231 0.000 1.054 362 V CA -0.644 61.364 62.300 -0.486 0.000 0.928 362 V CB 1.652 33.012 31.823 -0.772 0.000 1.007 362 V HN 0.822 nan 8.190 nan 0.000 0.437 363 F N 4.768 124.513 119.950 -0.341 0.000 2.578 363 F HA 0.876 5.404 4.527 0.001 0.000 0.311 363 F C -0.306 175.363 175.800 -0.219 0.000 1.094 363 F CA -0.283 57.593 58.000 -0.206 0.000 0.923 363 F CB 1.565 40.484 39.000 -0.134 0.000 1.230 363 F HN 1.199 nan 8.300 nan 0.000 0.450 364 C N 2.893 121.521 119.300 -1.120 0.000 3.332 364 C HA 0.827 5.287 4.460 0.001 0.000 0.329 364 C C -1.611 172.776 174.990 -1.004 0.000 1.434 364 C CA -0.681 57.686 59.018 -1.085 0.000 1.314 364 C CB 1.706 29.051 27.740 -0.658 0.000 1.664 364 C HN 0.944 nan 8.230 nan 0.000 0.457 365 Q N 0.469 119.922 119.800 -0.578 0.000 2.413 365 Q HA 0.765 5.105 4.340 0.001 0.000 0.276 365 Q C -0.569 175.419 176.000 -0.021 0.000 1.099 365 Q CA -0.231 55.452 55.803 -0.199 0.000 0.814 365 Q CB 2.731 31.327 28.738 -0.236 0.000 1.379 365 Q HN 0.950 nan 8.270 nan 0.000 0.436 366 T N -2.557 112.073 114.554 0.127 0.000 2.924 366 T HA 0.729 5.080 4.350 0.001 0.000 0.291 366 T C -0.617 174.126 174.700 0.072 0.000 1.045 366 T CA -0.714 61.442 62.100 0.094 0.000 1.015 366 T CB 1.269 70.209 68.868 0.120 0.000 1.103 366 T HN 0.261 nan 8.240 nan 0.000 0.496 367 V N 2.548 122.477 119.914 0.025 0.000 2.384 367 V HA 0.427 4.548 4.120 0.001 0.000 0.287 367 V C 0.225 176.327 176.094 0.013 0.000 1.020 367 V CA -0.913 61.395 62.300 0.014 0.000 0.850 367 V CB 1.285 33.107 31.823 -0.003 0.000 0.987 367 V HN 1.031 nan 8.190 nan 0.000 0.436 368 M N 4.611 124.226 119.600 0.026 0.000 2.250 368 M HA 0.148 4.628 4.480 0.001 0.000 0.337 368 M C 0.872 177.178 176.300 0.011 0.000 1.161 368 M CA 0.687 56.006 55.300 0.031 0.000 1.088 368 M CB 0.733 33.352 32.600 0.031 0.000 1.639 368 M HN 0.919 nan 8.290 nan 0.000 0.447 369 S N 2.283 117.987 115.700 0.008 0.000 2.584 369 S HA 0.095 4.565 4.470 0.001 0.000 0.270 369 S C 0.965 175.567 174.600 0.004 0.000 1.346 369 S CA -0.173 58.023 58.200 -0.006 0.000 1.018 369 S CB 0.541 63.732 63.200 -0.014 0.000 0.899 369 S HN 0.796 nan 8.310 nan 0.000 0.542 370 T N 1.481 116.034 114.554 -0.002 0.000 2.746 370 T HA -0.114 4.237 4.350 0.001 0.000 0.267 370 T C 1.657 176.364 174.700 0.011 0.000 1.039 370 T CA 1.718 63.822 62.100 0.005 0.000 1.142 370 T CB -0.472 68.397 68.868 0.001 0.000 0.866 370 T HN 0.738 nan 8.240 nan 0.000 0.444 371 E N 0.606 120.809 120.200 0.005 0.000 2.070 371 E HA -0.106 4.244 4.350 0.001 0.000 0.197 371 E C 2.236 178.851 176.600 0.025 0.000 1.004 371 E CA 0.999 57.404 56.400 0.009 0.000 0.805 371 E CB -0.251 29.448 29.700 -0.002 0.000 0.744 371 E HN 0.430 nan 8.360 nan 0.000 0.451 372 L N 0.618 121.859 121.223 0.030 0.000 2.072 372 L HA -0.151 4.189 4.340 0.001 0.000 0.205 372 L C 2.429 179.339 176.870 0.067 0.000 1.079 372 L CA 0.378 55.251 54.840 0.055 0.000 0.752 372 L CB -0.232 41.860 42.059 0.056 0.000 0.906 372 L HN 0.192 nan 8.230 nan 0.000 0.436 373 I N 0.059 120.657 120.570 0.045 0.000 2.226 373 I HA -0.280 3.890 4.170 0.001 0.000 0.245 373 I C 2.096 178.243 176.117 0.050 0.000 1.100 373 I CA 1.503 62.826 61.300 0.039 0.000 1.374 373 I CB -1.109 36.903 38.000 0.021 0.000 1.057 373 I HN 0.275 nan 8.210 nan 0.000 0.413 374 D N 0.661 121.089 120.400 0.047 0.000 2.178 374 D HA -0.123 4.517 4.640 0.001 0.000 0.202 374 D C 2.370 178.714 176.300 0.074 0.000 0.974 374 D CA 1.551 55.582 54.000 0.051 0.000 0.841 374 D CB -0.088 40.734 40.800 0.038 0.000 0.953 374 D HN 0.373 nan 8.370 nan 0.000 0.478 375 S N 0.036 115.789 115.700 0.088 0.000 2.419 375 S HA -0.122 4.348 4.470 0.001 0.000 0.233 375 S C 2.177 176.909 174.600 0.220 0.000 1.016 375 S CA 0.771 59.051 58.200 0.132 0.000 0.974 375 S CB -0.575 62.691 63.200 0.110 0.000 0.786 375 S HN 0.082 nan 8.310 nan 0.000 0.492 376 V N 3.208 123.237 119.914 0.192 0.000 2.380 376 V HA -0.188 3.933 4.120 0.001 0.000 0.251 376 V C 2.276 178.441 176.094 0.119 0.000 1.063 376 V CA 2.209 64.641 62.300 0.220 0.000 1.055 376 V CB -0.840 31.034 31.823 0.086 0.000 0.657 376 V HN 0.824 nan 8.190 nan 0.000 0.455 377 K N 0.373 120.827 120.400 0.091 0.000 2.498 377 K HA 0.172 4.492 4.320 0.001 0.000 0.207 377 K C 1.608 178.257 176.600 0.081 0.000 1.033 377 K CA 0.702 57.027 56.287 0.064 0.000 1.138 377 K CB 0.198 32.729 32.500 0.052 0.000 0.860 377 K HN 0.436 nan 8.250 nan 0.000 0.490 378 S N 0.814 116.591 115.700 0.129 0.000 2.442 378 S HA -0.150 4.321 4.470 0.001 0.000 0.236 378 S C 0.969 175.612 174.600 0.071 0.000 1.007 378 S CA 1.166 59.424 58.200 0.097 0.000 0.965 378 S CB -0.209 63.045 63.200 0.091 0.000 0.773 378 S HN 0.295 nan 8.310 nan 0.000 0.504 379 D N 0.794 121.251 120.400 0.095 0.000 2.340 379 D HA 0.206 4.846 4.640 0.001 0.000 0.220 379 D C 0.198 176.552 176.300 0.089 0.000 1.039 379 D CA 0.330 54.374 54.000 0.073 0.000 0.866 379 D CB 0.016 40.858 40.800 0.071 0.000 0.913 379 D HN 0.396 nan 8.370 nan 0.000 0.523 380 M N 0.387 120.031 119.600 0.072 0.000 2.277 380 M HA 0.223 4.703 4.480 0.001 0.000 0.350 380 M C 0.243 176.573 176.300 0.050 0.000 1.180 380 M CA -0.069 55.278 55.300 0.078 0.000 1.103 380 M CB 1.233 33.864 32.600 0.051 0.000 1.577 380 M HN -0.348 nan 8.290 nan 0.000 0.459 381 T N 4.263 118.839 114.554 0.037 0.000 2.749 381 T HA 0.671 5.021 4.350 0.001 0.000 0.287 381 T C 0.056 174.736 174.700 -0.034 0.000 0.970 381 T CA -0.329 61.774 62.100 0.004 0.000 0.980 381 T CB 0.402 69.269 68.868 -0.001 0.000 0.924 381 T HN 0.425 nan 8.240 nan 0.000 0.456 382 I N 3.881 124.428 120.570 -0.037 0.000 2.389 382 I HA 0.503 4.673 4.170 0.001 0.000 0.288 382 I C 0.299 176.376 176.117 -0.066 0.000 0.999 382 I CA -0.767 60.478 61.300 -0.091 0.000 1.129 382 I CB 1.493 39.481 38.000 -0.020 0.000 1.288 382 I HN 0.328 nan 8.210 nan 0.000 0.444 383 R N 3.590 124.017 120.500 -0.122 0.000 2.807 383 R HA 0.814 5.154 4.340 0.001 0.000 0.276 383 R C -0.003 176.306 176.300 0.015 0.000 0.979 383 R CA -0.662 55.413 56.100 -0.042 0.000 0.928 383 R CB 2.139 32.411 30.300 -0.046 0.000 1.191 383 R HN 0.856 nan 8.270 nan 0.000 0.471 384 G N 0.471 109.323 108.800 0.087 0.000 2.741 384 G HA2 -0.250 3.710 3.960 0.001 0.000 0.222 384 G HA3 -0.250 3.710 3.960 0.001 0.000 0.222 384 G C -0.663 174.399 174.900 0.270 0.000 1.364 384 G CA -0.171 45.024 45.100 0.158 0.000 0.866 384 G HN 0.740 nan 8.290 nan 0.000 0.555 385 T N -0.203 114.490 114.554 0.230 0.000 2.812 385 T HA 0.693 5.043 4.350 0.001 0.000 0.282 385 T C -2.727 171.911 174.700 -0.103 0.000 0.990 385 T CA -1.236 60.918 62.100 0.090 0.000 0.960 385 T CB 2.279 71.165 68.868 0.029 0.000 0.948 385 T HN 0.510 nan 8.240 nan 0.000 0.438 386 P HA 0.258 nan 4.420 nan 0.000 0.262 386 P C 1.147 178.213 177.300 -0.391 0.000 1.182 386 P CA 1.328 63.850 63.100 -0.964 0.000 0.761 386 P CB 0.245 31.501 31.700 -0.739 0.000 0.795 387 G N 1.329 109.959 108.800 -0.284 0.000 2.195 387 G HA2 -0.175 3.785 3.960 0.001 0.000 0.246 387 G HA3 -0.175 3.785 3.960 0.001 0.000 0.246 387 G C 0.096 174.965 174.900 -0.051 0.000 0.984 387 G CA -0.227 44.801 45.100 -0.120 0.000 0.633 387 G HN 0.509 nan 8.290 nan 0.000 0.525 388 E N -0.486 119.698 120.200 -0.027 0.000 2.249 388 E HA 0.613 4.964 4.350 0.001 0.000 0.263 388 E C 1.647 178.283 176.600 0.060 0.000 0.950 388 E CA -0.903 55.508 56.400 0.018 0.000 0.827 388 E CB 0.814 30.526 29.700 0.020 0.000 1.220 388 E HN 0.080 nan 8.360 nan 0.000 0.411 389 L N 0.395 121.646 121.223 0.046 0.000 2.187 389 L HA -0.176 4.164 4.340 0.001 0.000 0.213 389 L C 1.962 178.869 176.870 0.062 0.000 1.100 389 L CA 1.847 56.715 54.840 0.046 0.000 0.765 389 L CB -0.645 41.432 42.059 0.029 0.000 0.904 389 L HN 0.567 nan 8.230 nan 0.000 0.437 390 T N -4.862 109.738 114.554 0.076 0.000 3.065 390 T HA -0.087 4.263 4.350 0.001 0.000 0.252 390 T C 0.602 175.364 174.700 0.103 0.000 1.099 390 T CA -0.282 61.860 62.100 0.071 0.000 1.063 390 T CB -0.341 68.564 68.868 0.061 0.000 0.948 390 T HN 0.077 nan 8.240 nan 0.000 0.506 391 Y N 4.052 124.352 120.300 0.000 0.000 2.632 391 Y HA 0.384 4.934 4.550 0.001 0.000 0.329 391 Y C 0.369 176.270 175.900 0.001 0.000 1.174 391 Y CA -0.480 57.621 58.100 0.001 0.000 1.469 391 Y CB 0.148 38.607 38.460 -0.001 0.000 1.242 391 Y HN 0.397 nan 8.280 nan 0.000 0.540 392 S N 4.347 119.739 115.700 -0.513 0.000 2.556 392 S HA 0.820 5.290 4.470 0.001 0.000 0.271 392 S C -1.904 172.363 174.600 -0.556 0.000 1.135 392 S CA -0.960 56.960 58.200 -0.467 0.000 0.858 392 S CB 1.540 64.625 63.200 -0.192 0.000 1.114 392 S HN 0.441 nan 8.310 nan 0.000 0.468 393 V N 2.390 122.091 119.914 -0.356 0.000 2.443 393 V HA 0.799 4.920 4.120 0.001 0.000 0.293 393 V C -0.113 175.948 176.094 -0.056 0.000 1.021 393 V CA -0.108 62.072 62.300 -0.200 0.000 0.848 393 V CB 1.167 32.910 31.823 -0.134 0.000 0.998 393 V HN 1.242 nan 8.190 nan 0.000 0.424 394 T N 1.666 116.217 114.554 -0.006 0.000 2.883 394 T HA 0.890 5.240 4.350 0.001 0.000 0.296 394 T C -1.021 173.769 174.700 0.150 0.000 1.117 394 T CA -0.767 61.361 62.100 0.047 0.000 1.006 394 T CB 2.433 71.284 68.868 -0.029 0.000 1.191 394 T HN 0.894 nan 8.240 nan 0.000 0.508 395 Y N -1.765 118.526 120.300 -0.015 0.000 2.689 395 Y HA 0.781 5.331 4.550 0.000 0.000 0.333 395 Y C -1.026 174.871 175.900 -0.005 0.000 1.190 395 Y CA -1.308 56.789 58.100 -0.005 0.000 1.063 395 Y CB 0.863 39.328 38.460 0.009 0.000 1.294 395 Y HN 0.640 nan 8.280 nan 0.000 0.466 396 T N 3.987 118.516 114.554 -0.043 0.000 2.801 396 T HA 0.412 4.762 4.350 0.001 0.000 0.306 396 T C -2.825 171.837 174.700 -0.062 0.000 1.020 396 T CA -1.322 60.700 62.100 -0.130 0.000 0.948 396 T CB 0.664 69.513 68.868 -0.031 0.000 0.962 396 T HN 0.345 nan 8.240 nan 0.000 0.465 397 P HA 0.227 nan 4.420 nan 0.000 0.265 397 P C 1.140 178.470 177.300 0.051 0.000 1.193 397 P CA 0.754 63.861 63.100 0.011 0.000 0.765 397 P CB 0.398 32.055 31.700 -0.072 0.000 0.823 398 G N 1.883 110.742 108.800 0.099 0.000 2.184 398 G HA2 -0.243 3.717 3.960 0.001 0.000 0.264 398 G HA3 -0.243 3.717 3.960 0.001 0.000 0.264 398 G C 0.500 175.419 174.900 0.032 0.000 0.975 398 G CA 0.056 45.189 45.100 0.055 0.000 0.642 398 G HN 0.862 nan 8.290 nan 0.000 0.536 399 A N 0.558 123.398 122.820 0.034 0.000 2.498 399 A HA 0.618 4.938 4.320 0.001 0.000 0.239 399 A C 1.787 179.371 177.584 0.000 0.000 1.068 399 A CA 1.294 53.339 52.037 0.014 0.000 0.766 399 A CB 0.292 19.302 19.000 0.017 0.000 1.003 399 A HN 1.701 nan 8.150 nan 0.000 0.497 400 S N 1.050 116.744 115.700 -0.010 0.000 2.447 400 S HA -0.145 4.326 4.470 0.001 0.000 0.233 400 S C 1.396 175.974 174.600 -0.036 0.000 1.006 400 S CA 1.523 59.711 58.200 -0.020 0.000 0.957 400 S CB -0.802 62.388 63.200 -0.017 0.000 0.773 400 S HN 1.147 nan 8.310 nan 0.000 0.507 401 T N -0.788 113.746 114.554 -0.033 0.000 3.100 401 T HA 0.193 4.543 4.350 0.001 0.000 0.253 401 T C 0.460 175.121 174.700 -0.065 0.000 1.118 401 T CA -0.418 61.654 62.100 -0.046 0.000 1.058 401 T CB -0.552 68.297 68.868 -0.032 0.000 0.953 401 T HN 0.186 nan 8.240 nan 0.000 0.515 402 N N 2.079 120.744 118.700 -0.058 0.000 2.492 402 N HA 0.205 4.946 4.740 0.001 0.000 0.260 402 N C 0.820 176.214 175.510 -0.194 0.000 1.215 402 N CA -0.020 52.978 53.050 -0.086 0.000 0.923 402 N CB 0.982 39.446 38.487 -0.039 0.000 1.092 402 N HN 0.345 nan 8.380 nan 0.000 0.448 403 K N 0.683 120.887 120.400 -0.326 0.000 2.361 403 K HA 0.061 4.381 4.320 0.001 0.000 0.196 403 K C -0.110 175.956 176.600 -0.889 0.000 1.039 403 K CA 0.685 56.617 56.287 -0.591 0.000 1.001 403 K CB 0.178 32.248 32.500 -0.716 0.000 0.795 403 K HN 0.554 nan 8.250 nan 0.000 0.495 404 H N -0.234 118.563 119.070 -0.455 0.000 2.747 404 H HA 0.278 4.834 4.556 0.001 0.000 0.371 404 H C -2.504 172.542 175.328 -0.470 0.000 1.161 404 H CA -2.521 53.113 56.048 -0.691 0.000 1.167 404 H CB 1.372 30.394 29.762 -1.233 0.000 1.732 404 H HN -0.121 nan 8.280 nan 0.000 0.544 405 P HA -0.006 nan 4.420 nan 0.000 0.273 405 P C 0.288 177.436 177.300 -0.253 0.000 1.250 405 P CA -0.181 62.754 63.100 -0.275 0.000 0.793 405 P CB 1.305 32.804 31.700 -0.336 0.000 1.011 406 D N -0.217 120.160 120.400 -0.039 0.000 2.178 406 D HA -0.108 4.532 4.640 0.001 0.000 0.202 406 D C 1.916 178.273 176.300 0.095 0.000 0.974 406 D CA 1.100 55.148 54.000 0.080 0.000 0.841 406 D CB -0.485 40.427 40.800 0.187 0.000 0.953 406 D HN 0.599 nan 8.370 nan 0.000 0.478 407 W N 0.214 121.592 121.300 0.130 0.000 2.342 407 W HA -0.167 4.494 4.660 0.001 0.000 0.297 407 W C 1.933 178.529 176.519 0.129 0.000 1.213 407 W CA 0.245 57.659 57.345 0.115 0.000 1.251 407 W CB -1.326 28.195 29.460 0.103 0.000 1.136 407 W HN 0.059 nan 8.180 nan 0.000 0.526 408 W N 3.321 124.167 121.300 -0.756 0.000 2.378 408 W HA -0.161 4.499 4.660 0.001 0.000 0.313 408 W C 1.889 178.143 176.519 -0.442 0.000 1.197 408 W CA 1.728 58.619 57.345 -0.757 0.000 1.304 408 W CB -0.985 27.799 29.460 -1.128 0.000 1.148 408 W HN -0.098 nan 8.180 nan 0.000 0.494 409 N N 0.954 119.580 118.700 -0.124 0.000 2.309 409 N HA -0.178 4.563 4.740 0.001 0.000 0.182 409 N C 1.480 176.729 175.510 -0.436 0.000 1.018 409 N CA 1.678 54.463 53.050 -0.441 0.000 0.876 409 N CB -0.464 37.395 38.487 -1.047 0.000 0.972 409 N HN 0.229 nan 8.380 nan 0.000 0.434 410 E N 1.543 121.655 120.200 -0.147 0.000 2.047 410 E HA -0.048 4.303 4.350 0.001 0.000 0.191 410 E C 1.624 178.256 176.600 0.053 0.000 0.987 410 E CA 1.293 57.744 56.400 0.085 0.000 0.799 410 E CB 0.046 29.854 29.700 0.178 0.000 0.752 410 E HN 0.216 nan 8.360 nan 0.000 0.449 411 K N -0.385 120.031 120.400 0.027 0.000 2.032 411 K HA -0.126 4.194 4.320 0.001 0.000 0.209 411 K C 2.137 178.711 176.600 -0.044 0.000 1.048 411 K CA 1.589 57.877 56.287 0.001 0.000 0.927 411 K CB -0.272 32.216 32.500 -0.020 0.000 0.712 411 K HN 0.020 nan 8.250 nan 0.000 0.441 412 V N 2.085 121.924 119.914 -0.126 0.000 2.261 412 V HA -0.261 3.859 4.120 0.001 0.000 0.246 412 V C 2.433 178.531 176.094 0.007 0.000 1.047 412 V CA 1.656 63.894 62.300 -0.102 0.000 1.015 412 V CB -0.466 31.262 31.823 -0.159 0.000 0.642 412 V HN 0.343 nan 8.190 nan 0.000 0.446 413 K N 0.357 120.758 120.400 0.001 0.000 2.063 413 K HA -0.224 4.096 4.320 0.001 0.000 0.208 413 K C 1.931 178.575 176.600 0.073 0.000 1.048 413 K CA 1.919 58.245 56.287 0.065 0.000 0.928 413 K CB -0.376 32.219 32.500 0.159 0.000 0.713 413 K HN 0.432 nan 8.250 nan 0.000 0.442 414 N N 0.324 119.070 118.700 0.077 0.000 2.216 414 N HA -0.151 4.589 4.740 0.001 0.000 0.183 414 N C 1.792 177.337 175.510 0.057 0.000 1.017 414 N CA 1.090 54.179 53.050 0.066 0.000 0.861 414 N CB -0.499 38.032 38.487 0.074 0.000 0.986 414 N HN 0.449 nan 8.380 nan 0.000 0.428 415 H N 0.682 119.755 119.070 0.006 0.000 2.321 415 H HA 0.096 4.653 4.556 0.000 0.000 0.300 415 H C 2.051 177.403 175.328 0.040 0.000 1.087 415 H CA 1.709 57.763 56.048 0.010 0.000 1.319 415 H CB 0.002 29.689 29.762 -0.125 0.000 1.379 415 H HN 0.087 nan 8.280 nan 0.000 0.501 416 M N -0.933 118.677 119.600 0.017 0.000 2.229 416 M HA -0.133 4.348 4.480 0.001 0.000 0.264 416 M C 1.959 178.309 176.300 0.084 0.000 1.063 416 M CA 1.047 56.377 55.300 0.050 0.000 1.114 416 M CB 0.029 32.711 32.600 0.136 0.000 1.387 416 M HN 0.352 nan 8.290 nan 0.000 0.420 417 M N -0.070 119.561 119.600 0.051 0.000 2.193 417 M HA -0.104 4.376 4.480 0.001 0.000 0.265 417 M C 1.969 178.260 176.300 -0.014 0.000 1.071 417 M CA 1.735 57.077 55.300 0.070 0.000 1.140 417 M CB -0.792 31.825 32.600 0.028 0.000 1.369 417 M HN 0.309 nan 8.290 nan 0.000 0.423 418 Q N -1.025 118.699 119.800 -0.126 0.000 2.311 418 Q HA -0.075 4.265 4.340 0.001 0.000 0.203 418 Q C 0.007 175.683 176.000 -0.541 0.000 0.954 418 Q CA 0.725 56.349 55.803 -0.297 0.000 0.885 418 Q CB 0.274 28.804 28.738 -0.347 0.000 0.963 418 Q HN 0.522 nan 8.270 nan 0.000 0.471 419 H N 0.260 119.224 119.070 -0.176 0.000 2.317 419 H HA 0.203 4.759 4.556 0.000 0.000 0.231 419 H C 0.170 175.409 175.328 -0.148 0.000 1.442 419 H CA -0.085 55.855 56.048 -0.181 0.000 1.336 419 H CB 0.537 30.063 29.762 -0.392 0.000 1.533 419 H HN 0.244 nan 8.280 nan 0.000 0.522 420 Q N 0.588 120.368 119.800 -0.034 0.000 2.436 420 Q HA -0.095 4.246 4.340 0.001 0.000 0.209 420 Q C 1.838 177.792 176.000 -0.077 0.000 0.965 420 Q CA 0.669 56.416 55.803 -0.094 0.000 0.910 420 Q CB 0.469 29.112 28.738 -0.159 0.000 0.980 420 Q HN 0.525 nan 8.270 nan 0.000 0.491 421 E N 0.860 121.062 120.200 0.003 0.000 2.427 421 E HA -0.112 4.238 4.350 0.001 0.000 0.196 421 E C -0.364 176.269 176.600 0.056 0.000 1.028 421 E CA 0.578 56.992 56.400 0.023 0.000 0.864 421 E CB 0.060 29.791 29.700 0.053 0.000 0.813 421 E HN 0.121 nan 8.360 nan 0.000 0.514 422 D N 1.960 122.413 120.400 0.087 0.000 2.280 422 D HA 0.153 4.793 4.640 0.001 0.000 0.236 422 D C -1.682 174.670 176.300 0.087 0.000 1.082 422 D CA -2.299 51.781 54.000 0.133 0.000 0.834 422 D CB 1.679 42.608 40.800 0.215 0.000 1.100 422 D HN -0.172 nan 8.370 nan 0.000 0.486 423 P HA 0.089 nan 4.420 nan 0.000 0.249 423 P C -0.118 177.221 177.300 0.065 0.000 1.229 423 P CA 0.135 63.266 63.100 0.051 0.000 0.788 423 P CB 0.428 32.149 31.700 0.035 0.000 1.072 424 L N 1.929 123.205 121.223 0.087 0.000 2.334 424 L HA 0.357 4.698 4.340 0.001 0.000 0.275 424 L C -1.383 175.520 176.870 0.055 0.000 1.036 424 L CA -2.257 52.612 54.840 0.048 0.000 0.807 424 L CB 2.211 44.275 42.059 0.007 0.000 1.231 424 L HN -0.276 nan 8.230 nan 0.000 0.438 425 P HA 0.111 nan 4.420 nan 0.000 0.257 425 P C 0.052 177.211 177.300 -0.235 0.000 1.281 425 P CA 0.490 63.579 63.100 -0.018 0.000 0.826 425 P CB 0.267 31.954 31.700 -0.022 0.000 1.237 426 I N 1.870 122.211 120.570 -0.383 0.000 2.331 426 I HA 0.282 4.452 4.170 0.001 0.000 0.292 426 I C -2.226 173.377 176.117 -0.857 0.000 0.998 426 I CA -2.998 58.008 61.300 -0.489 0.000 1.267 426 I CB 1.218 39.036 38.000 -0.304 0.000 1.386 426 I HN -0.293 nan 8.210 nan 0.000 0.476 427 P HA -0.037 nan 4.420 nan 0.000 0.265 427 P C 0.301 177.325 177.300 -0.460 0.000 1.187 427 P CA 0.146 62.828 63.100 -0.696 0.000 0.766 427 P CB 0.300 31.834 31.700 -0.276 0.000 0.820 428 F N 0.961 120.787 119.950 -0.207 0.000 2.161 428 F HA -0.148 4.380 4.527 0.001 0.000 0.300 428 F C 1.667 177.420 175.800 -0.078 0.000 1.089 428 F CA 1.577 59.506 58.000 -0.119 0.000 1.282 428 F CB -0.947 38.005 39.000 -0.080 0.000 1.010 428 F HN 0.412 nan 8.300 nan 0.000 0.485 429 E N -0.290 119.978 120.200 0.113 0.000 2.437 429 E HA 0.019 4.369 4.350 0.001 0.000 0.195 429 E C -0.344 176.269 176.600 0.022 0.000 1.029 429 E CA -0.262 56.180 56.400 0.070 0.000 0.948 429 E CB -0.193 29.551 29.700 0.073 0.000 1.082 429 E HN 0.186 nan 8.360 nan 0.000 0.456 430 D N 2.404 122.796 120.400 -0.014 0.000 2.417 430 D HA 0.035 4.675 4.640 0.001 0.000 0.250 430 D C -2.276 174.039 176.300 0.024 0.000 1.166 430 D CA -1.624 52.359 54.000 -0.029 0.000 0.881 430 D CB 0.825 41.570 40.800 -0.092 0.000 1.164 430 D HN -0.122 nan 8.370 nan 0.000 0.467 431 P HA 0.062 nan 4.420 nan 0.000 0.271 431 P C -0.390 177.034 177.300 0.207 0.000 1.233 431 P CA -0.333 62.859 63.100 0.153 0.000 0.789 431 P CB 0.353 32.147 31.700 0.157 0.000 0.951 432 E N 1.688 122.032 120.200 0.240 0.000 2.392 432 E HA 0.200 4.551 4.350 0.001 0.000 0.259 432 E C -2.524 174.150 176.600 0.122 0.000 1.108 432 E CA -2.008 54.469 56.400 0.129 0.000 0.916 432 E CB -0.893 28.840 29.700 0.056 0.000 0.989 432 E HN 0.208 nan 8.360 nan 0.000 0.432 433 P HA 0.059 nan 4.420 nan 0.000 0.269 433 P C -0.598 176.714 177.300 0.020 0.000 1.209 433 P CA 0.114 63.301 63.100 0.145 0.000 0.776 433 P CB 0.365 32.089 31.700 0.040 0.000 0.876 434 Q N 1.394 121.274 119.800 0.133 0.000 3.244 434 Q HA 0.339 4.679 4.340 0.001 0.000 0.249 434 Q C -1.131 174.939 176.000 0.115 0.000 0.951 434 Q CA -0.335 55.425 55.803 -0.073 0.000 0.740 434 Q CB 1.337 29.764 28.738 -0.520 0.000 1.334 434 Q HN 0.183 nan 8.270 nan 0.000 0.448 435 V N 0.731 120.675 119.914 0.051 0.000 2.628 435 V HA 0.730 4.851 4.120 0.001 0.000 0.306 435 V C 0.048 176.144 176.094 0.004 0.000 1.045 435 V CA -0.477 61.859 62.300 0.059 0.000 0.905 435 V CB 2.144 33.954 31.823 -0.022 0.000 0.997 435 V HN 0.509 nan 8.190 nan 0.000 0.436 436 T N 1.684 116.275 114.554 0.061 0.000 2.894 436 T HA 0.496 4.846 4.350 0.001 0.000 0.309 436 T C -0.996 173.641 174.700 -0.105 0.000 1.208 436 T CA -0.307 61.769 62.100 -0.041 0.000 1.016 436 T CB 1.926 70.749 68.868 -0.075 0.000 1.192 436 T HN 0.804 nan 8.240 nan 0.000 0.491 437 T N 4.385 118.721 114.554 -0.364 0.000 2.772 437 T HA 0.610 4.961 4.350 0.001 0.000 0.288 437 T C -0.158 174.388 174.700 -0.258 0.000 0.994 437 T CA -0.587 61.130 62.100 -0.637 0.000 0.951 437 T CB -0.126 67.908 68.868 -1.390 0.000 0.933 437 T HN 0.511 nan 8.240 nan 0.000 0.447 438 L N 4.572 125.726 121.223 -0.116 0.000 2.439 438 L HA 0.399 4.740 4.340 0.001 0.000 0.269 438 L C 0.711 177.589 176.870 0.013 0.000 1.179 438 L CA -0.924 53.931 54.840 0.025 0.000 0.828 438 L CB 0.222 42.296 42.059 0.026 0.000 1.106 438 L HN 0.623 nan 8.230 nan 0.000 0.467 439 F N 3.121 122.998 119.950 -0.123 0.000 2.568 439 F HA -0.097 4.430 4.527 0.000 0.000 0.394 439 F C 0.255 175.793 175.800 -0.436 0.000 1.032 439 F CA 0.656 58.486 58.000 -0.283 0.000 1.242 439 F CB 0.103 38.989 39.000 -0.191 0.000 0.966 439 F HN 0.404 nan 8.300 nan 0.000 0.560 440 Q N 6.683 126.004 119.800 -0.799 0.000 2.456 440 Q HA 0.256 4.596 4.340 0.001 0.000 0.284 440 Q C -1.997 173.577 176.000 -0.710 0.000 1.061 440 Q CA -1.757 53.673 55.803 -0.621 0.000 0.799 440 Q CB 1.467 29.727 28.738 -0.796 0.000 1.445 440 Q HN 0.231 nan 8.270 nan 0.000 0.411 441 P HA -0.197 nan 4.420 nan 0.000 0.216 441 P C 1.135 178.229 177.300 -0.343 0.000 1.150 441 P CA 1.976 64.915 63.100 -0.269 0.000 0.843 441 P CB 0.197 31.826 31.700 -0.117 0.000 0.787 442 S N -1.624 113.877 115.700 -0.332 0.000 2.562 442 S HA -0.086 4.384 4.470 0.001 0.000 0.221 442 S C 0.518 174.932 174.600 -0.310 0.000 0.975 442 S CA 0.062 58.134 58.200 -0.214 0.000 0.918 442 S CB -1.282 61.887 63.200 -0.051 0.000 0.772 442 S HN 0.442 nan 8.310 nan 0.000 0.531 443 H N -1.340 117.299 119.070 -0.718 0.000 2.562 443 H HA 0.464 5.020 4.556 0.000 0.000 0.230 443 H C -3.229 170.940 175.328 -1.931 0.000 1.415 443 H CA -1.753 53.468 56.048 -1.378 0.000 1.454 443 H CB 0.412 29.656 29.762 -0.864 0.000 1.716 443 H HN 0.059 nan 8.280 nan 0.000 0.538 444 P HA 0.080 nan 4.420 nan 0.000 0.226 444 P C -1.241 175.442 177.300 -1.028 0.000 1.783 444 P CA 0.231 62.252 63.100 -1.798 0.000 0.980 444 P CB -1.060 30.147 31.700 -0.822 0.000 1.967 445 W N -0.261 120.717 121.300 -0.536 0.000 3.213 445 W HA 0.521 5.181 4.660 0.000 0.000 0.318 445 W C -1.004 175.588 176.519 0.123 0.000 1.248 445 W CA -1.272 56.077 57.345 0.006 0.000 1.187 445 W CB 0.093 29.584 29.460 0.052 0.000 1.403 445 W HN -0.011 nan 8.180 nan 0.000 0.556 446 H N 1.028 120.352 119.070 0.423 0.000 2.505 446 H HA 0.713 5.270 4.556 0.000 0.000 0.351 446 H C -0.218 175.243 175.328 0.222 0.000 1.151 446 H CA 0.407 56.616 56.048 0.269 0.000 1.339 446 H CB 1.539 31.434 29.762 0.222 0.000 1.483 446 H HN 0.570 nan 8.280 nan 0.000 0.558 447 T N 2.092 116.261 114.554 -0.643 0.000 2.886 447 T HA 0.488 4.838 4.350 0.001 0.000 0.292 447 T C -0.764 173.617 174.700 -0.531 0.000 1.012 447 T CA -1.106 60.629 62.100 -0.609 0.000 0.982 447 T CB 1.557 69.951 68.868 -0.789 0.000 1.018 447 T HN 0.664 nan 8.240 nan 0.000 0.451 448 Q N 2.013 121.697 119.800 -0.193 0.000 2.304 448 Q HA 0.588 4.928 4.340 0.001 0.000 0.270 448 Q C -1.169 174.694 176.000 -0.229 0.000 1.035 448 Q CA -0.670 54.940 55.803 -0.322 0.000 0.781 448 Q CB 2.675 31.120 28.738 -0.489 0.000 1.261 448 Q HN 0.720 nan 8.270 nan 0.000 0.444 449 I N 4.664 125.072 120.570 -0.271 0.000 2.521 449 I HA 0.354 4.524 4.170 0.001 0.000 0.277 449 I C -0.626 175.380 176.117 -0.185 0.000 1.054 449 I CA -0.504 60.534 61.300 -0.436 0.000 1.117 449 I CB 0.451 38.077 38.000 -0.622 0.000 1.217 449 I HN 0.700 nan 8.210 nan 0.000 0.469 450 H N 4.668 123.554 119.070 -0.307 0.000 3.150 450 H HA 0.606 5.163 4.556 0.001 0.000 0.270 450 H C -1.406 173.851 175.328 -0.119 0.000 1.573 450 H CA -1.267 54.676 56.048 -0.176 0.000 1.195 450 H CB 1.307 30.988 29.762 -0.135 0.000 1.874 450 H HN 0.183 nan 8.280 nan 0.000 0.691 451 R N 0.719 121.016 120.500 -0.338 0.000 2.574 451 R HA 0.443 4.783 4.340 0.001 0.000 0.288 451 R C -1.273 174.771 176.300 -0.427 0.000 1.004 451 R CA -0.575 55.326 56.100 -0.332 0.000 0.895 451 R CB 1.974 32.213 30.300 -0.102 0.000 1.191 451 R HN 0.772 nan 8.270 nan 0.000 0.444 452 D N 0.443 120.620 120.400 -0.372 0.000 2.493 452 D HA 0.564 5.205 4.640 0.001 0.000 0.239 452 D C -0.688 175.609 176.300 -0.006 0.000 1.049 452 D CA -0.595 53.277 54.000 -0.214 0.000 1.008 452 D CB 2.088 42.770 40.800 -0.196 0.000 1.398 452 D HN 0.539 nan 8.370 nan 0.000 0.513 453 A N 0.899 123.741 122.820 0.037 0.000 2.540 453 A HA 0.391 4.712 4.320 0.001 0.000 0.239 453 A C -0.710 176.968 177.584 0.155 0.000 1.061 453 A CA 0.458 52.568 52.037 0.121 0.000 0.758 453 A CB -0.359 18.737 19.000 0.160 0.000 0.991 453 A HN 0.412 nan 8.150 nan 0.000 0.502 454 F N 1.425 121.351 119.950 -0.040 0.000 2.650 454 F HA 0.442 4.970 4.527 0.001 0.000 0.310 454 F C 0.033 175.699 175.800 -0.223 0.000 1.112 454 F CA -0.256 57.613 58.000 -0.219 0.000 0.986 454 F CB 1.829 40.591 39.000 -0.397 0.000 1.285 454 F HN 0.426 nan 8.300 nan 0.000 0.440 455 S N 4.985 120.220 115.700 -0.776 0.000 2.473 455 S HA 0.373 4.843 4.470 0.001 0.000 0.312 455 S C -1.055 173.255 174.600 -0.482 0.000 1.087 455 S CA -0.196 57.727 58.200 -0.461 0.000 1.077 455 S CB -0.510 62.441 63.200 -0.415 0.000 1.065 455 S HN 0.456 nan 8.310 nan 0.000 0.510 456 Y N 2.754 123.080 120.300 0.043 0.000 2.377 456 Y HA 0.404 4.955 4.550 0.000 0.000 0.330 456 Y C 1.433 177.363 175.900 0.050 0.000 1.108 456 Y CA 0.149 58.346 58.100 0.161 0.000 1.308 456 Y CB 0.611 39.181 38.460 0.184 0.000 1.216 456 Y HN 0.691 nan 8.280 nan 0.000 0.518 457 G N 1.036 109.940 108.800 0.173 0.000 2.634 457 G HA2 0.301 4.262 3.960 0.001 0.000 0.255 457 G HA3 0.301 4.262 3.960 0.001 0.000 0.255 457 G C 0.878 175.845 174.900 0.112 0.000 1.205 457 G CA -0.115 45.043 45.100 0.095 0.000 0.884 457 G HN 0.886 nan 8.290 nan 0.000 0.549 458 A N 0.088 122.949 122.820 0.068 0.000 1.940 458 A HA -0.039 4.282 4.320 0.001 0.000 0.219 458 A C 2.499 180.114 177.584 0.053 0.000 1.176 458 A CA 1.940 54.010 52.037 0.055 0.000 0.631 458 A CB -0.653 18.369 19.000 0.037 0.000 0.814 458 A HN 0.721 nan 8.150 nan 0.000 0.446 459 V N -0.140 119.806 119.914 0.054 0.000 2.307 459 V HA -0.283 3.837 4.120 0.001 0.000 0.245 459 V C 2.522 178.647 176.094 0.051 0.000 1.045 459 V CA 2.508 64.835 62.300 0.045 0.000 1.024 459 V CB -0.581 31.266 31.823 0.039 0.000 0.651 459 V HN 0.732 nan 8.190 nan 0.000 0.449 460 Q N -0.879 118.975 119.800 0.090 0.000 2.170 460 Q HA -0.267 4.073 4.340 0.001 0.000 0.203 460 Q C 2.161 178.200 176.000 0.066 0.000 0.976 460 Q CA 1.679 57.558 55.803 0.126 0.000 0.858 460 Q CB -0.186 28.740 28.738 0.314 0.000 0.907 460 Q HN 0.687 nan 8.270 nan 0.000 0.433 461 Q N -0.221 119.619 119.800 0.068 0.000 2.439 461 Q HA -0.102 4.238 4.340 0.001 0.000 0.211 461 Q C 1.947 177.931 176.000 -0.026 0.000 0.978 461 Q CA 0.806 56.605 55.803 -0.006 0.000 0.897 461 Q CB -0.015 28.742 28.738 0.032 0.000 0.956 461 Q HN 0.171 nan 8.270 nan 0.000 0.483 462 S N -0.171 115.526 115.700 -0.006 0.000 2.453 462 S HA -0.014 4.457 4.470 0.001 0.000 0.231 462 S C 0.752 175.339 174.600 -0.022 0.000 1.005 462 S CA 0.125 58.320 58.200 -0.009 0.000 0.949 462 S CB 0.241 63.445 63.200 0.006 0.000 0.774 462 S HN 0.145 nan 8.310 nan 0.000 0.510 463 I N 2.908 123.455 120.570 -0.038 0.000 2.342 463 I HA 0.242 4.412 4.170 0.001 0.000 0.291 463 I C 0.379 176.450 176.117 -0.078 0.000 1.010 463 I CA -0.801 60.471 61.300 -0.047 0.000 1.308 463 I CB 0.686 38.660 38.000 -0.043 0.000 1.400 463 I HN 0.183 nan 8.210 nan 0.000 0.488 464 D N 3.973 124.343 120.400 -0.050 0.000 2.487 464 D HA -0.096 4.545 4.640 0.001 0.000 0.243 464 D C 1.163 177.416 176.300 -0.078 0.000 1.154 464 D CA 0.367 54.338 54.000 -0.048 0.000 0.876 464 D CB 1.122 41.917 40.800 -0.008 0.000 1.161 464 D HN 0.609 nan 8.370 nan 0.000 0.478 465 S N 3.995 119.633 115.700 -0.103 0.000 2.400 465 S HA -0.184 4.286 4.470 0.001 0.000 0.232 465 S C 1.757 176.316 174.600 -0.068 0.000 1.025 465 S CA 1.101 59.221 58.200 -0.134 0.000 0.993 465 S CB 0.071 63.199 63.200 -0.120 0.000 0.808 465 S HN 0.528 nan 8.310 nan 0.000 0.478 466 R N 0.191 120.670 120.500 -0.035 0.000 2.193 466 R HA 0.087 4.428 4.340 0.001 0.000 0.229 466 R C 1.960 178.245 176.300 -0.025 0.000 1.110 466 R CA 1.065 57.148 56.100 -0.028 0.000 0.988 466 R CB -0.317 29.962 30.300 -0.036 0.000 0.871 466 R HN 0.437 nan 8.270 nan 0.000 0.458 467 L N 0.374 121.583 121.223 -0.025 0.000 2.395 467 L HA 0.058 4.399 4.340 0.001 0.000 0.218 467 L C 0.738 177.611 176.870 0.005 0.000 1.130 467 L CA 0.405 55.239 54.840 -0.010 0.000 0.826 467 L CB 0.011 42.063 42.059 -0.011 0.000 0.941 467 L HN 0.073 nan 8.230 nan 0.000 0.451 468 I N -0.049 120.516 120.570 -0.009 0.000 2.385 468 I HA 0.253 4.423 4.170 0.001 0.000 0.294 468 I C -0.607 175.527 176.117 0.027 0.000 0.988 468 I CA -0.426 60.880 61.300 0.012 0.000 1.265 468 I CB 1.820 39.812 38.000 -0.015 0.000 1.388 468 I HN -0.313 nan 8.210 nan 0.000 0.480 469 V N 4.749 124.702 119.914 0.065 0.000 2.638 469 V HA 0.324 4.444 4.120 0.001 0.000 0.306 469 V C -0.839 175.269 176.094 0.024 0.000 1.052 469 V CA -0.872 61.441 62.300 0.020 0.000 0.885 469 V CB 2.081 33.934 31.823 0.050 0.000 0.999 469 V HN 0.587 nan 8.190 nan 0.000 0.424 470 D N 2.610 122.950 120.400 -0.101 0.000 2.225 470 D HA 0.472 5.112 4.640 0.001 0.000 0.249 470 D C -1.013 175.186 176.300 -0.169 0.000 1.052 470 D CA 0.057 54.018 54.000 -0.065 0.000 0.909 470 D CB 1.422 42.208 40.800 -0.024 0.000 1.186 470 D HN 0.458 nan 8.370 nan 0.000 0.431 471 W N 1.214 122.456 121.300 -0.095 0.000 2.554 471 W HA 0.412 5.072 4.660 0.000 0.000 0.324 471 W C 0.117 176.641 176.519 0.008 0.000 1.018 471 W CA -0.831 56.507 57.345 -0.011 0.000 1.243 471 W CB 1.217 30.549 29.460 -0.213 0.000 1.345 471 W HN -0.071 nan 8.180 nan 0.000 0.441 472 R N 2.930 123.642 120.500 0.352 0.000 2.451 472 R HA 0.543 4.883 4.340 0.001 0.000 0.307 472 R C -1.477 174.971 176.300 0.247 0.000 0.965 472 R CA -0.848 55.349 56.100 0.162 0.000 0.865 472 R CB 1.547 31.918 30.300 0.119 0.000 1.174 472 R HN 0.147 nan 8.270 nan 0.000 0.455 473 F N 3.340 123.106 119.950 -0.306 0.000 2.482 473 F HA 0.487 5.014 4.527 0.000 0.000 0.331 473 F C -0.399 175.255 175.800 -0.244 0.000 1.115 473 F CA -1.536 56.381 58.000 -0.137 0.000 0.955 473 F CB 1.063 39.971 39.000 -0.153 0.000 1.136 473 F HN 0.296 nan 8.300 nan 0.000 0.452 474 F N 1.294 121.434 119.950 0.317 0.000 2.467 474 F HA 0.695 5.223 4.527 0.000 0.000 0.336 474 F C 0.633 176.640 175.800 0.344 0.000 1.123 474 F CA -1.186 57.000 58.000 0.310 0.000 0.964 474 F CB 1.531 40.755 39.000 0.373 0.000 1.136 474 F HN 0.515 nan 8.300 nan 0.000 0.447 475 G N 1.828 110.883 108.800 0.425 0.000 2.461 475 G HA2 0.661 4.622 3.960 0.001 0.000 0.329 475 G HA3 0.661 4.622 3.960 0.001 0.000 0.329 475 G C -0.990 174.102 174.900 0.320 0.000 1.170 475 G CA -1.130 44.199 45.100 0.382 0.000 0.935 475 G HN 0.716 nan 8.290 nan 0.000 0.492 476 R N -0.761 119.920 120.500 0.301 0.000 2.428 476 R HA 0.659 5.000 4.340 0.001 0.000 0.294 476 R C -1.025 175.380 176.300 0.174 0.000 1.000 476 R CA -0.545 55.666 56.100 0.184 0.000 0.960 476 R CB 1.268 31.703 30.300 0.224 0.000 1.076 476 R HN 0.261 nan 8.270 nan 0.000 0.475 477 T N 2.012 116.637 114.554 0.120 0.000 2.786 477 T HA 0.117 4.467 4.350 0.001 0.000 0.283 477 T C -0.685 174.101 174.700 0.143 0.000 0.992 477 T CA -0.630 61.588 62.100 0.196 0.000 0.954 477 T CB 1.284 70.334 68.868 0.304 0.000 0.934 477 T HN 0.652 nan 8.240 nan 0.000 0.440 478 E N 4.653 124.941 120.200 0.146 0.000 2.415 478 E HA 0.067 4.417 4.350 0.001 0.000 0.263 478 E C -2.106 174.577 176.600 0.139 0.000 0.995 478 E CA -1.525 54.951 56.400 0.127 0.000 0.915 478 E CB 0.525 30.291 29.700 0.110 0.000 0.951 478 E HN 0.210 nan 8.360 nan 0.000 0.449 479 P HA 0.112 nan 4.420 nan 0.000 0.276 479 P C -1.182 176.277 177.300 0.266 0.000 1.243 479 P CA 0.090 63.332 63.100 0.236 0.000 0.768 479 P CB 0.693 32.552 31.700 0.265 0.000 0.856 480 K N 2.521 123.019 120.400 0.164 0.000 2.427 480 K HA 0.172 4.492 4.320 0.001 0.000 0.252 480 K C 0.970 177.412 176.600 -0.265 0.000 0.931 480 K CA -0.724 55.579 56.287 0.026 0.000 0.793 480 K CB 2.287 34.762 32.500 -0.042 0.000 1.211 480 K HN 0.454 nan 8.250 nan 0.000 0.426 481 E N 2.009 121.922 120.200 -0.480 0.000 2.160 481 E HA -0.212 4.138 4.350 0.001 0.000 0.195 481 E C 0.932 177.266 176.600 -0.444 0.000 0.991 481 E CA 1.489 57.343 56.400 -0.911 0.000 0.810 481 E CB 0.488 29.913 29.700 -0.459 0.000 0.742 481 E HN 0.536 nan 8.360 nan 0.000 0.466 482 E N 0.242 120.294 120.200 -0.246 0.000 2.427 482 E HA -0.075 4.275 4.350 0.001 0.000 0.196 482 E C -0.093 176.438 176.600 -0.115 0.000 1.028 482 E CA 0.164 56.473 56.400 -0.152 0.000 0.864 482 E CB -0.166 29.464 29.700 -0.116 0.000 0.813 482 E HN 0.060 nan 8.360 nan 0.000 0.514 483 N N 2.213 120.837 118.700 -0.128 0.000 2.406 483 N HA 0.165 4.906 4.740 0.001 0.000 0.251 483 N C -0.747 174.811 175.510 0.080 0.000 1.069 483 N CA 0.098 53.126 53.050 -0.038 0.000 0.947 483 N CB 1.055 39.491 38.487 -0.085 0.000 1.111 483 N HN 0.120 nan 8.380 nan 0.000 0.497 484 K N 1.302 121.803 120.400 0.170 0.000 2.375 484 K HA 0.454 4.774 4.320 0.001 0.000 0.249 484 K C -0.999 175.769 176.600 0.280 0.000 0.942 484 K CA -0.986 55.425 56.287 0.208 0.000 0.806 484 K CB 2.483 35.103 32.500 0.199 0.000 1.227 484 K HN 0.169 nan 8.250 nan 0.000 0.430 485 L N 4.083 125.423 121.223 0.195 0.000 2.305 485 L HA 0.535 4.875 4.340 0.001 0.000 0.284 485 L C -1.159 175.664 176.870 -0.079 0.000 1.013 485 L CA -0.112 54.696 54.840 -0.054 0.000 0.819 485 L CB 0.502 42.529 42.059 -0.054 0.000 1.227 485 L HN 0.707 nan 8.230 nan 0.000 0.417 486 W N 3.673 124.701 121.300 -0.452 0.000 3.017 486 W HA 0.657 5.317 4.660 0.001 0.000 0.341 486 W C -2.147 173.920 176.519 -0.754 0.000 1.180 486 W CA -1.245 55.883 57.345 -0.362 0.000 1.097 486 W CB 0.924 30.311 29.460 -0.122 0.000 1.468 486 W HN 0.326 nan 8.180 nan 0.000 0.584 487 F N 1.410 121.523 119.950 0.271 0.000 2.547 487 F HA 0.330 4.857 4.527 0.000 0.000 0.316 487 F C 0.708 176.640 175.800 0.220 0.000 1.121 487 F CA -0.889 57.147 58.000 0.060 0.000 0.911 487 F CB 2.127 41.163 39.000 0.060 0.000 1.179 487 F HN 0.272 nan 8.300 nan 0.000 0.443 488 S N 1.153 116.961 115.700 0.180 0.000 2.572 488 S HA 0.066 4.537 4.470 0.001 0.000 0.279 488 S C 0.707 175.449 174.600 0.236 0.000 1.341 488 S CA -0.437 57.916 58.200 0.256 0.000 1.043 488 S CB 0.383 63.642 63.200 0.097 0.000 0.887 488 S HN 0.700 nan 8.310 nan 0.000 0.516 489 D N 2.688 123.221 120.400 0.221 0.000 2.340 489 D HA 0.154 4.795 4.640 0.001 0.000 0.217 489 D C 0.845 177.207 176.300 0.103 0.000 1.081 489 D CA 0.270 54.355 54.000 0.142 0.000 0.842 489 D CB 0.184 41.054 40.800 0.118 0.000 0.934 489 D HN 0.472 nan 8.370 nan 0.000 0.511 490 K N -0.486 119.978 120.400 0.106 0.000 2.485 490 K HA 0.161 4.481 4.320 0.001 0.000 0.200 490 K C -0.046 176.593 176.600 0.065 0.000 1.352 490 K CA -0.112 56.221 56.287 0.078 0.000 0.953 490 K CB 1.206 33.756 32.500 0.083 0.000 1.387 490 K HN -0.025 nan 8.250 nan 0.000 0.512 491 I N 2.789 123.400 120.570 0.068 0.000 2.437 491 I HA 0.172 4.342 4.170 0.001 0.000 0.298 491 I C 0.441 176.589 176.117 0.052 0.000 0.984 491 I CA -0.253 61.076 61.300 0.048 0.000 1.214 491 I CB 1.370 39.387 38.000 0.030 0.000 1.365 491 I HN 0.152 nan 8.210 nan 0.000 0.469 492 T N 0.901 115.482 114.554 0.046 0.000 2.932 492 T HA 0.585 4.936 4.350 0.001 0.000 0.289 492 T C -0.339 174.393 174.700 0.055 0.000 1.039 492 T CA -0.887 61.247 62.100 0.057 0.000 1.024 492 T CB 2.266 71.164 68.868 0.050 0.000 1.090 492 T HN 0.538 nan 8.240 nan 0.000 0.496 493 D N 0.733 121.182 120.400 0.081 0.000 2.440 493 D HA 0.425 5.065 4.640 0.001 0.000 0.269 493 D C 1.683 178.027 176.300 0.073 0.000 1.249 493 D CA -0.375 53.681 54.000 0.092 0.000 1.055 493 D CB -0.028 40.864 40.800 0.153 0.000 1.104 493 D HN 0.650 nan 8.370 nan 0.000 0.561 494 A N -1.175 121.685 122.820 0.067 0.000 2.076 494 A HA -0.168 4.152 4.320 0.001 0.000 0.220 494 A C 1.346 178.801 177.584 -0.215 0.000 1.160 494 A CA 1.072 53.066 52.037 -0.071 0.000 0.653 494 A CB -1.025 17.910 19.000 -0.110 0.000 0.801 494 A HN 0.571 nan 8.150 nan 0.000 0.455 495 Y N -1.394 118.913 120.300 0.012 0.000 2.571 495 Y HA 0.242 4.793 4.550 0.001 0.000 0.275 495 Y C 0.801 176.714 175.900 0.021 0.000 1.179 495 Y CA -0.133 57.971 58.100 0.007 0.000 1.242 495 Y CB -0.414 38.032 38.460 -0.024 0.000 1.126 495 Y HN 0.474 nan 8.280 nan 0.000 0.524 496 N N 0.050 118.812 118.700 0.103 0.000 2.725 496 N HA -0.177 4.563 4.740 0.001 0.000 0.249 496 N C -0.675 174.881 175.510 0.077 0.000 1.103 496 N CA 0.441 53.536 53.050 0.074 0.000 0.707 496 N CB -0.438 38.084 38.487 0.058 0.000 1.043 496 N HN 0.133 nan 8.380 nan 0.000 0.553 497 M N -0.267 119.390 119.600 0.095 0.000 2.598 497 M HA 0.416 4.896 4.480 0.001 0.000 0.317 497 M C -2.128 174.221 176.300 0.083 0.000 1.201 497 M CA -1.876 53.462 55.300 0.062 0.000 0.971 497 M CB 0.685 33.309 32.600 0.040 0.000 1.657 497 M HN -0.239 nan 8.290 nan 0.000 0.470 498 P HA -0.048 nan 4.420 nan 0.000 0.260 498 P C -0.636 176.811 177.300 0.244 0.000 1.172 498 P CA 0.219 63.405 63.100 0.144 0.000 0.760 498 P CB 0.223 32.007 31.700 0.140 0.000 0.773 499 Q N 7.087 126.978 119.800 0.153 0.000 2.286 499 Q HA 0.169 4.509 4.340 0.001 0.000 0.267 499 Q C -2.249 173.716 176.000 -0.059 0.000 1.028 499 Q CA -2.088 53.754 55.803 0.064 0.000 0.901 499 Q CB -0.169 28.557 28.738 -0.021 0.000 1.183 499 Q HN 0.289 nan 8.270 nan 0.000 0.392 500 P HA 0.098 nan 4.420 nan 0.000 0.271 500 P C -1.032 175.783 177.300 -0.809 0.000 1.216 500 P CA -0.097 62.591 63.100 -0.686 0.000 0.776 500 P CB 1.005 32.408 31.700 -0.496 0.000 0.881 501 T N 2.931 116.770 114.554 -1.192 0.000 2.952 501 T HA 0.502 4.853 4.350 0.001 0.000 0.305 501 T C -0.643 173.386 174.700 -1.118 0.000 1.064 501 T CA -0.110 61.301 62.100 -1.147 0.000 1.008 501 T CB 0.509 68.388 68.868 -1.649 0.000 1.078 501 T HN 0.053 nan 8.240 nan 0.000 0.459 502 F N 1.866 121.566 119.950 -0.417 0.000 2.397 502 F HA 0.536 5.063 4.527 0.001 0.000 0.331 502 F C 0.678 176.471 175.800 -0.011 0.000 1.090 502 F CA -1.053 56.838 58.000 -0.183 0.000 1.065 502 F CB 1.082 40.014 39.000 -0.113 0.000 1.184 502 F HN 0.398 nan 8.300 nan 0.000 0.499 503 D N 3.050 123.656 120.400 0.344 0.000 2.404 503 D HA 0.200 4.841 4.640 0.001 0.000 0.267 503 D C -1.759 174.675 176.300 0.223 0.000 1.194 503 D CA -0.085 54.083 54.000 0.280 0.000 0.910 503 D CB 0.223 41.206 40.800 0.304 0.000 1.090 503 D HN 0.288 nan 8.370 nan 0.000 0.511 504 F N 2.858 122.815 119.950 0.010 0.000 2.556 504 F HA 0.582 5.109 4.527 0.001 0.000 0.314 504 F C -0.973 174.737 175.800 -0.150 0.000 1.106 504 F CA -0.610 57.325 58.000 -0.108 0.000 0.911 504 F CB 1.442 40.304 39.000 -0.230 0.000 1.190 504 F HN 0.008 nan 8.300 nan 0.000 0.448 505 R N 4.437 124.412 120.500 -0.875 0.000 2.698 505 R HA 0.350 4.691 4.340 0.001 0.000 0.275 505 R C -1.609 174.085 176.300 -1.009 0.000 1.001 505 R CA -0.965 54.745 56.100 -0.651 0.000 0.896 505 R CB 1.939 32.082 30.300 -0.262 0.000 1.218 505 R HN 0.580 nan 8.270 nan 0.000 0.462 506 F N 2.914 122.669 119.950 -0.325 0.000 2.578 506 F HA 0.139 4.666 4.527 0.000 0.000 0.376 506 F C -1.349 174.339 175.800 -0.186 0.000 1.085 506 F CA -0.956 56.935 58.000 -0.181 0.000 1.260 506 F CB -0.049 38.955 39.000 0.006 0.000 1.095 506 F HN 0.164 nan 8.300 nan 0.000 0.573 507 P HA 0.154 nan 4.420 nan 0.000 0.268 507 P C -0.657 176.669 177.300 0.042 0.000 1.205 507 P CA -0.324 62.769 63.100 -0.012 0.000 0.771 507 P CB 0.528 32.232 31.700 0.006 0.000 0.858 508 A N 2.674 125.501 122.820 0.012 0.000 2.492 508 A HA 0.467 4.787 4.320 0.001 0.000 0.236 508 A C 1.174 178.777 177.584 0.031 0.000 1.078 508 A CA 1.042 53.089 52.037 0.017 0.000 0.773 508 A CB -1.163 17.838 19.000 0.003 0.000 1.023 508 A HN 0.867 nan 8.150 nan 0.000 0.504 509 G N 0.422 109.241 108.800 0.032 0.000 2.503 509 G HA2 -0.247 3.713 3.960 0.001 0.000 0.235 509 G HA3 -0.247 3.713 3.960 0.001 0.000 0.235 509 G C 1.023 175.956 174.900 0.054 0.000 1.179 509 G CA 0.775 45.899 45.100 0.040 0.000 0.944 509 G HN 1.139 nan 8.290 nan 0.000 0.580 510 R N -0.047 120.491 120.500 0.065 0.000 2.081 510 R HA -0.055 4.285 4.340 0.001 0.000 0.235 510 R C 2.719 179.078 176.300 0.098 0.000 1.131 510 R CA 2.635 58.783 56.100 0.079 0.000 0.960 510 R CB -0.923 29.426 30.300 0.082 0.000 0.856 510 R HN 0.607 nan 8.270 nan 0.000 0.436 511 T N 0.257 114.875 114.554 0.106 0.000 2.665 511 T HA -0.125 4.226 4.350 0.001 0.000 0.268 511 T C 1.918 176.679 174.700 0.102 0.000 1.035 511 T CA 1.911 64.091 62.100 0.133 0.000 1.151 511 T CB -0.182 68.787 68.868 0.167 0.000 0.862 511 T HN 0.288 nan 8.240 nan 0.000 0.438 512 S N 0.468 116.211 115.700 0.071 0.000 2.371 512 S HA -0.025 4.445 4.470 0.001 0.000 0.224 512 S C 2.023 176.634 174.600 0.017 0.000 1.029 512 S CA 0.953 59.163 58.200 0.017 0.000 0.978 512 S CB -0.193 63.013 63.200 0.010 0.000 0.833 512 S HN 0.519 nan 8.310 nan 0.000 0.466 513 K N 1.445 121.871 120.400 0.043 0.000 2.032 513 K HA -0.162 4.158 4.320 0.001 0.000 0.209 513 K C 1.838 178.488 176.600 0.083 0.000 1.048 513 K CA 1.590 57.909 56.287 0.053 0.000 0.927 513 K CB -0.172 32.365 32.500 0.060 0.000 0.712 513 K HN 0.352 nan 8.250 nan 0.000 0.441 514 E N -0.133 120.142 120.200 0.125 0.000 2.153 514 E HA -0.176 4.174 4.350 0.001 0.000 0.194 514 E C 1.928 178.608 176.600 0.133 0.000 0.988 514 E CA 0.889 57.413 56.400 0.208 0.000 0.811 514 E CB -0.086 29.774 29.700 0.268 0.000 0.746 514 E HN 0.478 nan 8.360 nan 0.000 0.466 515 A N 1.299 124.172 122.820 0.087 0.000 1.902 515 A HA -0.208 4.112 4.320 0.001 0.000 0.217 515 A C 2.060 179.698 177.584 0.090 0.000 1.181 515 A CA 1.312 53.398 52.037 0.082 0.000 0.623 515 A CB -0.227 18.784 19.000 0.019 0.000 0.818 515 A HN 0.039 nan 8.150 nan 0.000 0.443 516 E N 0.515 120.749 120.200 0.057 0.000 2.107 516 E HA -0.118 4.232 4.350 0.001 0.000 0.191 516 E C 1.453 178.022 176.600 -0.052 0.000 0.982 516 E CA 1.092 57.515 56.400 0.039 0.000 0.809 516 E CB -0.381 29.332 29.700 0.023 0.000 0.756 516 E HN 0.535 nan 8.360 nan 0.000 0.459 517 D N -0.158 120.211 120.400 -0.050 0.000 2.149 517 D HA -0.184 4.456 4.640 0.001 0.000 0.198 517 D C 1.964 177.997 176.300 -0.444 0.000 0.990 517 D CA 0.968 54.921 54.000 -0.079 0.000 0.839 517 D CB -0.283 40.605 40.800 0.147 0.000 0.948 517 D HN 0.258 nan 8.370 nan 0.000 0.460 518 M N -0.333 118.802 119.600 -0.774 0.000 2.132 518 M HA -0.166 4.315 4.480 0.001 0.000 0.263 518 M C 2.055 177.957 176.300 -0.663 0.000 1.065 518 M CA 1.106 55.629 55.300 -1.295 0.000 1.122 518 M CB 0.022 32.087 32.600 -0.891 0.000 1.365 518 M HN -0.045 nan 8.290 nan 0.000 0.411 519 M N 0.450 119.788 119.600 -0.436 0.000 2.080 519 M HA -0.166 4.315 4.480 0.001 0.000 0.260 519 M C 1.768 177.873 176.300 -0.326 0.000 1.068 519 M CA 2.433 57.488 55.300 -0.408 0.000 1.109 519 M CB -0.962 31.472 32.600 -0.276 0.000 1.342 519 M HN 0.268 nan 8.290 nan 0.000 0.405 520 T N -0.046 114.375 114.554 -0.221 0.000 2.720 520 T HA -0.173 4.177 4.350 0.001 0.000 0.268 520 T C 1.501 176.132 174.700 -0.116 0.000 1.037 520 T CA 1.832 63.853 62.100 -0.132 0.000 1.144 520 T CB -0.625 68.207 68.868 -0.061 0.000 0.864 520 T HN 0.538 nan 8.240 nan 0.000 0.444 521 D N 0.454 120.776 120.400 -0.130 0.000 2.144 521 D HA -0.049 4.592 4.640 0.001 0.000 0.199 521 D C 2.060 178.361 176.300 0.001 0.000 0.984 521 D CA 0.796 54.830 54.000 0.056 0.000 0.834 521 D CB -0.213 40.718 40.800 0.218 0.000 0.955 521 D HN 0.286 nan 8.370 nan 0.000 0.465 522 M N -0.480 118.898 119.600 -0.370 0.000 2.117 522 M HA -0.169 4.311 4.480 0.001 0.000 0.262 522 M C 1.904 177.912 176.300 -0.487 0.000 1.065 522 M CA 1.320 56.123 55.300 -0.827 0.000 1.114 522 M CB -0.140 31.663 32.600 -1.328 0.000 1.361 522 M HN 0.198 nan 8.290 nan 0.000 0.408 523 C N -0.306 118.808 119.300 -0.309 0.000 2.429 523 C HA -0.111 4.349 4.460 0.001 0.000 0.277 523 C C 2.666 177.578 174.990 -0.130 0.000 1.262 523 C CA 0.850 59.786 59.018 -0.137 0.000 1.733 523 C CB -1.069 26.640 27.740 -0.051 0.000 2.010 523 C HN 0.498 nan 8.230 nan 0.000 0.483 524 V N 0.650 120.517 119.914 -0.078 0.000 2.295 524 V HA -0.307 3.813 4.120 0.001 0.000 0.246 524 V C 2.417 178.508 176.094 -0.005 0.000 1.049 524 V CA 2.339 64.625 62.300 -0.024 0.000 1.024 524 V CB -0.672 31.187 31.823 0.061 0.000 0.648 524 V HN 0.590 nan 8.190 nan 0.000 0.447 525 M N 0.713 120.348 119.600 0.057 0.000 2.132 525 M HA -0.144 4.336 4.480 0.001 0.000 0.263 525 M C 2.411 178.631 176.300 -0.134 0.000 1.065 525 M CA 2.141 57.552 55.300 0.185 0.000 1.122 525 M CB -0.167 32.686 32.600 0.421 0.000 1.365 525 M HN 0.558 nan 8.290 nan 0.000 0.411 526 S N 0.308 115.635 115.700 -0.623 0.000 2.423 526 S HA -0.014 4.456 4.470 0.001 0.000 0.231 526 S C 1.923 176.180 174.600 -0.573 0.000 1.014 526 S CA 0.841 58.294 58.200 -1.245 0.000 0.965 526 S CB -0.686 61.505 63.200 -1.682 0.000 0.785 526 S HN 0.544 nan 8.310 nan 0.000 0.495 527 A N 1.960 124.545 122.820 -0.391 0.000 2.067 527 A HA 0.030 4.350 4.320 0.001 0.000 0.219 527 A C 2.166 179.648 177.584 -0.170 0.000 1.158 527 A CA 1.253 53.108 52.037 -0.304 0.000 0.661 527 A CB -0.509 18.338 19.000 -0.254 0.000 0.801 527 A HN 0.618 nan 8.150 nan 0.000 0.452 528 K N -0.617 119.729 120.400 -0.090 0.000 2.283 528 K HA 0.008 4.328 4.320 0.001 0.000 0.202 528 K C 1.224 177.832 176.600 0.013 0.000 1.048 528 K CA 0.841 57.115 56.287 -0.021 0.000 0.948 528 K CB -0.023 32.502 32.500 0.041 0.000 0.742 528 K HN 0.400 nan 8.250 nan 0.000 0.458 529 I N -0.762 119.834 120.570 0.043 0.000 2.810 529 I HA 0.144 4.314 4.170 0.001 0.000 0.262 529 I C 1.165 177.306 176.117 0.040 0.000 1.131 529 I CA 0.639 62.006 61.300 0.112 0.000 1.453 529 I CB -0.110 38.093 38.000 0.337 0.000 1.161 529 I HN 0.113 nan 8.210 nan 0.000 0.444 530 G N -0.730 108.044 108.800 -0.045 0.000 2.349 530 G HA2 0.472 4.433 3.960 0.001 0.000 0.294 530 G HA3 0.472 4.433 3.960 0.001 0.000 0.294 530 G C -0.723 174.050 174.900 -0.211 0.000 1.380 530 G CA -0.135 44.914 45.100 -0.085 0.000 0.811 530 G HN 0.289 nan 8.290 nan 0.000 0.519 531 G N -1.189 107.489 108.800 -0.204 0.000 2.562 531 G HA2 0.564 4.525 3.960 0.001 0.000 0.275 531 G HA3 0.564 4.525 3.960 0.001 0.000 0.275 531 G C -0.363 174.386 174.900 -0.252 0.000 1.196 531 G CA -0.554 44.343 45.100 -0.337 0.000 0.908 531 G HN 0.418 nan 8.290 nan 0.000 0.524 532 F N -0.740 119.167 119.950 -0.072 0.000 2.506 532 F HA 0.216 4.744 4.527 0.001 0.000 0.351 532 F C 0.694 176.428 175.800 -0.111 0.000 1.136 532 F CA -0.833 57.111 58.000 -0.094 0.000 1.298 532 F CB 0.689 39.708 39.000 0.031 0.000 1.145 532 F HN 0.152 nan 8.300 nan 0.000 0.593 533 L N 5.839 127.063 121.223 0.002 0.000 2.313 533 L HA 0.411 4.751 4.340 0.001 0.000 0.282 533 L C -2.419 174.205 176.870 -0.410 0.000 1.092 533 L CA -1.946 52.818 54.840 -0.125 0.000 0.831 533 L CB 0.144 42.145 42.059 -0.097 0.000 1.159 533 L HN 0.277 nan 8.230 nan 0.000 0.442 534 P HA 0.190 nan 4.420 nan 0.000 0.264 534 P C 0.621 177.374 177.300 -0.911 0.000 1.183 534 P CA 1.106 63.720 63.100 -0.811 0.000 0.763 534 P CB 0.714 32.318 31.700 -0.161 0.000 0.807 535 G N 2.091 109.903 108.800 -1.646 0.000 2.241 535 G HA2 -0.246 3.714 3.960 0.001 0.000 0.244 535 G HA3 -0.246 3.714 3.960 0.001 0.000 0.244 535 G C 0.592 175.237 174.900 -0.424 0.000 0.998 535 G CA 0.267 44.935 45.100 -0.720 0.000 0.621 535 G HN 0.514 nan 8.290 nan 0.000 0.519 536 S N 0.877 116.246 115.700 -0.552 0.000 2.592 536 S HA 0.364 4.834 4.470 0.001 0.000 0.243 536 S C 0.261 174.638 174.600 -0.373 0.000 1.160 536 S CA -0.793 57.258 58.200 -0.250 0.000 1.145 536 S CB 0.043 63.134 63.200 -0.183 0.000 0.909 536 S HN 0.392 nan 8.310 nan 0.000 0.487 537 W N 2.926 124.113 121.300 -0.188 0.000 2.137 537 W HA 0.225 4.886 4.660 0.001 0.000 0.344 537 W C -2.698 173.510 176.519 -0.518 0.000 1.286 537 W CA -2.617 54.461 57.345 -0.444 0.000 1.240 537 W CB -0.737 28.553 29.460 -0.283 0.000 1.141 537 W HN 0.076 nan 8.180 nan 0.000 0.579 538 P HA -0.040 nan 4.420 nan 0.000 0.263 538 P C -0.571 176.562 177.300 -0.278 0.000 1.195 538 P CA 0.790 63.577 63.100 -0.522 0.000 0.762 538 P CB 0.294 31.612 31.700 -0.638 0.000 0.799 539 Q N 1.696 121.357 119.800 -0.232 0.000 2.522 539 Q HA 0.498 4.838 4.340 0.001 0.000 0.285 539 Q C -1.416 174.457 176.000 -0.212 0.000 0.982 539 Q CA -0.872 54.866 55.803 -0.108 0.000 0.805 539 Q CB 0.801 29.562 28.738 0.037 0.000 1.457 539 Q HN 0.084 nan 8.270 nan 0.000 0.394 540 F N 1.345 121.263 119.950 -0.054 0.000 2.399 540 F HA 0.361 4.889 4.527 0.000 0.000 0.342 540 F C 0.570 176.353 175.800 -0.029 0.000 1.106 540 F CA -0.286 57.677 58.000 -0.061 0.000 1.196 540 F CB 1.092 40.041 39.000 -0.086 0.000 1.163 540 F HN 0.394 nan 8.300 nan 0.000 0.547 541 M N 1.970 121.638 119.600 0.114 0.000 2.368 541 M HA 0.241 4.721 4.480 0.001 0.000 0.311 541 M C 0.034 176.388 176.300 0.091 0.000 1.168 541 M CA -0.814 54.521 55.300 0.059 0.000 1.044 541 M CB 1.068 33.660 32.600 -0.014 0.000 1.506 541 M HN 0.466 nan 8.290 nan 0.000 0.475 542 K N 1.539 121.966 120.400 0.045 0.000 2.524 542 K HA 0.042 4.363 4.320 0.001 0.000 0.279 542 K C -2.267 174.367 176.600 0.057 0.000 0.993 542 K CA -0.966 55.346 56.287 0.042 0.000 1.030 542 K CB -0.162 32.337 32.500 -0.001 0.000 0.891 542 K HN 0.252 nan 8.250 nan 0.000 0.488 543 P HA -0.037 nan 4.420 nan 0.000 0.263 543 P C 0.368 177.617 177.300 -0.085 0.000 1.195 543 P CA 0.804 63.957 63.100 0.088 0.000 0.762 543 P CB 0.740 32.477 31.700 0.062 0.000 0.799 544 G N 2.740 111.491 108.800 -0.081 0.000 2.234 544 G HA2 -0.307 3.653 3.960 0.001 0.000 0.235 544 G HA3 -0.307 3.653 3.960 0.001 0.000 0.235 544 G C 0.764 175.626 174.900 -0.064 0.000 0.997 544 G CA 0.138 45.149 45.100 -0.149 0.000 0.623 544 G HN 0.525 nan 8.290 nan 0.000 0.514 545 L N 1.240 122.443 121.223 -0.033 0.000 2.187 545 L HA 0.167 4.507 4.340 0.001 0.000 0.213 545 L C 2.816 179.680 176.870 -0.009 0.000 1.100 545 L CA 2.500 57.325 54.840 -0.025 0.000 0.765 545 L CB -0.273 41.767 42.059 -0.031 0.000 0.904 545 L HN 0.578 nan 8.230 nan 0.000 0.437 546 V N -0.184 119.731 119.914 0.001 0.000 2.490 546 V HA -0.191 3.930 4.120 0.001 0.000 0.250 546 V C 1.632 177.642 176.094 -0.141 0.000 1.061 546 V CA 1.529 63.813 62.300 -0.026 0.000 1.064 546 V CB -0.243 31.611 31.823 0.051 0.000 0.670 546 V HN 0.505 nan 8.190 nan 0.000 0.461 547 L N -0.312 120.895 121.223 -0.027 0.000 3.730 547 L HA -0.228 4.112 4.340 0.001 0.000 0.410 547 L C 0.250 177.256 176.870 0.226 0.000 1.234 547 L CA 0.904 55.789 54.840 0.075 0.000 0.911 547 L CB -2.689 39.446 42.059 0.127 0.000 1.942 547 L HN 0.588 nan 8.230 nan 0.000 0.860 548 H N -0.561 118.610 119.070 0.168 0.000 2.481 548 H HA 0.292 4.849 4.556 0.000 0.000 0.273 548 H C 0.457 175.916 175.328 0.218 0.000 1.145 548 H CA -1.070 55.113 56.048 0.226 0.000 0.964 548 H CB 0.687 30.623 29.762 0.290 0.000 1.722 548 H HN 0.156 nan 8.280 nan 0.000 0.573 549 L N 2.143 123.505 121.223 0.232 0.000 2.584 549 L HA 0.148 4.488 4.340 0.001 0.000 0.272 549 L C 0.638 177.628 176.870 0.200 0.000 1.195 549 L CA 0.741 55.664 54.840 0.139 0.000 0.920 549 L CB 0.136 42.243 42.059 0.080 0.000 1.173 549 L HN 0.330 nan 8.230 nan 0.000 0.489 550 G N 2.132 111.064 108.800 0.220 0.000 2.714 550 G HA2 0.538 4.498 3.960 0.001 0.000 0.292 550 G HA3 0.538 4.498 3.960 0.001 0.000 0.292 550 G C 0.388 175.385 174.900 0.163 0.000 1.308 550 G CA -0.335 44.917 45.100 0.254 0.000 0.964 550 G HN 1.298 nan 8.290 nan 0.000 0.484 551 G N -1.336 107.531 108.800 0.113 0.000 2.162 551 G HA2 -0.255 3.705 3.960 0.001 0.000 0.260 551 G HA3 -0.255 3.705 3.960 0.001 0.000 0.260 551 G C 1.330 176.292 174.900 0.103 0.000 0.976 551 G CA 1.663 46.836 45.100 0.120 0.000 0.655 551 G HN 1.832 nan 8.290 nan 0.000 0.533 552 T N -2.108 112.457 114.554 0.019 0.000 2.995 552 T HA 0.134 4.484 4.350 0.001 0.000 0.269 552 T C 1.073 175.848 174.700 0.124 0.000 1.091 552 T CA 1.819 63.969 62.100 0.083 0.000 1.128 552 T CB -0.252 68.676 68.868 0.099 0.000 0.891 552 T HN 1.476 nan 8.240 nan 0.000 0.492 553 H N -0.013 119.129 119.070 0.120 0.000 2.597 553 H HA 0.483 5.039 4.556 0.000 0.000 0.225 553 H C -0.130 175.240 175.328 0.069 0.000 1.422 553 H CA -1.336 54.758 56.048 0.076 0.000 1.335 553 H CB -0.238 29.530 29.762 0.011 0.000 1.783 553 H HN 0.357 nan 8.280 nan 0.000 0.513 554 R N 0.831 121.412 120.500 0.134 0.000 2.615 554 R HA 0.363 4.703 4.340 0.001 0.000 0.270 554 R C -0.412 175.946 176.300 0.096 0.000 1.081 554 R CA -0.799 55.353 56.100 0.086 0.000 1.154 554 R CB 1.082 31.427 30.300 0.076 0.000 1.063 554 R HN 0.469 nan 8.270 nan 0.000 0.519 555 M N 1.316 120.948 119.600 0.053 0.000 2.314 555 M HA 0.469 4.949 4.480 0.001 0.000 0.342 555 M C -0.562 175.731 176.300 -0.011 0.000 1.171 555 M CA 0.125 55.434 55.300 0.015 0.000 1.098 555 M CB 1.704 34.290 32.600 -0.024 0.000 1.559 555 M HN 0.959 nan 8.290 nan 0.000 0.459 556 G N 2.068 110.872 108.800 0.007 0.000 2.554 556 G HA2 0.407 4.367 3.960 0.001 0.000 0.306 556 G HA3 0.407 4.367 3.960 0.001 0.000 0.306 556 G C -0.996 173.895 174.900 -0.015 0.000 1.320 556 G CA -0.608 44.438 45.100 -0.091 0.000 0.800 556 G HN 0.643 nan 8.290 nan 0.000 0.481 557 F N -0.013 120.041 119.950 0.172 0.000 2.317 557 F HA 0.319 4.846 4.527 0.001 0.000 0.293 557 F C 0.992 176.919 175.800 0.212 0.000 1.085 557 F CA 0.843 58.947 58.000 0.174 0.000 1.390 557 F CB 0.445 39.504 39.000 0.097 0.000 1.077 557 F HN 0.371 nan 8.300 nan 0.000 0.517 558 D N -0.929 119.628 120.400 0.263 0.000 2.787 558 D HA 0.135 4.775 4.640 0.001 0.000 0.246 558 D C 0.707 176.850 176.300 -0.262 0.000 1.150 558 D CA -0.228 53.770 54.000 -0.003 0.000 0.864 558 D CB 1.461 42.278 40.800 0.027 0.000 1.481 558 D HN 0.079 nan 8.370 nan 0.000 0.509 559 E N 3.087 122.808 120.200 -0.799 0.000 2.058 559 E HA -0.251 4.099 4.350 0.001 0.000 0.194 559 E C 1.358 177.774 176.600 -0.306 0.000 0.997 559 E CA 1.156 57.045 56.400 -0.850 0.000 0.801 559 E CB 0.262 29.315 29.700 -1.079 0.000 0.746 559 E HN 0.445 nan 8.360 nan 0.000 0.450 560 K N 0.297 120.563 120.400 -0.222 0.000 2.007 560 K HA -0.139 4.182 4.320 0.001 0.000 0.206 560 K C 2.009 178.575 176.600 -0.056 0.000 1.047 560 K CA 1.601 57.829 56.287 -0.098 0.000 0.937 560 K CB 0.045 32.503 32.500 -0.070 0.000 0.718 560 K HN 0.090 nan 8.250 nan 0.000 0.438 561 E N 0.069 120.241 120.200 -0.047 0.000 2.204 561 E HA -0.126 4.224 4.350 0.001 0.000 0.194 561 E C 0.653 177.250 176.600 -0.004 0.000 0.989 561 E CA 0.865 57.260 56.400 -0.008 0.000 0.824 561 E CB 0.170 29.879 29.700 0.015 0.000 0.756 561 E HN 0.355 nan 8.360 nan 0.000 0.477 562 D N 0.238 120.628 120.400 -0.016 0.000 2.395 562 D HA 0.054 4.695 4.640 0.001 0.000 0.213 562 D C -0.669 175.569 176.300 -0.104 0.000 1.110 562 D CA -0.050 53.934 54.000 -0.027 0.000 0.835 562 D CB 0.063 40.881 40.800 0.029 0.000 0.965 562 D HN 0.055 nan 8.370 nan 0.000 0.505 563 N N 0.696 119.334 118.700 -0.104 0.000 2.650 563 N HA -0.200 4.540 4.740 0.001 0.000 0.272 563 N C -0.279 175.164 175.510 -0.111 0.000 1.058 563 N CA 0.608 53.582 53.050 -0.128 0.000 0.765 563 N CB -1.382 36.924 38.487 -0.303 0.000 0.902 563 N HN 0.394 nan 8.380 nan 0.000 0.551 564 C N -3.053 116.257 119.300 0.016 0.000 3.236 564 C HA 0.759 5.219 4.460 0.001 0.000 0.312 564 C C 1.357 176.527 174.990 0.300 0.000 1.374 564 C CA -0.748 58.350 59.018 0.135 0.000 1.455 564 C CB 1.542 29.375 27.740 0.155 0.000 1.834 564 C HN 0.517 nan 8.230 nan 0.000 0.460 565 C N 0.455 119.954 119.300 0.332 0.000 2.964 565 C HA 0.476 4.936 4.460 0.001 0.000 0.358 565 C C 0.727 175.843 174.990 0.210 0.000 1.289 565 C CA 0.610 59.827 59.018 0.331 0.000 1.856 565 C CB -0.428 27.429 27.740 0.195 0.000 2.488 565 C HN 0.966 nan 8.230 nan 0.000 0.604 566 V N 1.258 121.181 119.914 0.014 0.000 2.914 566 V HA 0.694 4.814 4.120 0.001 0.000 0.314 566 V C -0.723 175.054 176.094 -0.527 0.000 1.084 566 V CA -0.675 61.393 62.300 -0.388 0.000 0.963 566 V CB 1.512 33.228 31.823 -0.178 0.000 1.025 566 V HN 0.400 nan 8.190 nan 0.000 0.432 567 N N 1.209 119.417 118.700 -0.821 0.000 2.431 567 N HA 0.242 4.982 4.740 0.001 0.000 0.289 567 N C 1.020 176.401 175.510 -0.215 0.000 1.277 567 N CA 0.267 53.060 53.050 -0.428 0.000 0.972 567 N CB -0.061 38.184 38.487 -0.404 0.000 1.143 567 N HN 0.941 nan 8.380 nan 0.000 0.578 568 T N -4.788 109.693 114.554 -0.122 0.000 3.163 568 T HA 0.040 4.390 4.350 0.001 0.000 0.260 568 T C -0.000 174.630 174.700 -0.116 0.000 1.156 568 T CA 0.477 62.505 62.100 -0.119 0.000 1.072 568 T CB -0.402 68.425 68.868 -0.069 0.000 0.937 568 T HN 0.439 nan 8.240 nan 0.000 0.528 569 D N 1.087 121.404 120.400 -0.139 0.000 2.342 569 D HA 0.190 4.831 4.640 0.001 0.000 0.221 569 D C 0.481 176.772 176.300 -0.014 0.000 1.101 569 D CA 0.033 53.962 54.000 -0.118 0.000 0.837 569 D CB 0.173 40.774 40.800 -0.331 0.000 0.938 569 D HN 0.326 nan 8.370 nan 0.000 0.508 570 S N 0.418 116.088 115.700 -0.050 0.000 3.521 570 S HA -0.271 4.199 4.470 0.001 0.000 0.328 570 S C 0.563 175.158 174.600 -0.009 0.000 1.165 570 S CA 0.484 58.691 58.200 0.011 0.000 0.941 570 S CB -1.393 61.883 63.200 0.126 0.000 0.951 570 S HN 0.466 nan 8.310 nan 0.000 0.539 571 R N 1.128 121.503 120.500 -0.208 0.000 2.254 571 R HA 0.474 4.814 4.340 0.001 0.000 0.318 571 R C -0.020 175.988 176.300 -0.486 0.000 1.031 571 R CA -0.464 55.342 56.100 -0.492 0.000 0.905 571 R CB 0.700 30.686 30.300 -0.524 0.000 1.050 571 R HN 0.144 nan 8.270 nan 0.000 0.456 572 V N 5.940 125.603 119.914 -0.418 0.000 2.585 572 V HA -0.001 4.119 4.120 0.001 0.000 0.296 572 V C 0.246 176.291 176.094 -0.081 0.000 1.035 572 V CA 0.243 62.389 62.300 -0.256 0.000 1.084 572 V CB -0.002 31.668 31.823 -0.255 0.000 0.953 572 V HN 0.564 nan 8.190 nan 0.000 0.483 573 F N 3.658 123.670 119.950 0.102 0.000 2.608 573 F HA 0.430 4.957 4.527 0.001 0.000 0.380 573 F C 1.530 177.447 175.800 0.194 0.000 1.083 573 F CA 1.475 59.544 58.000 0.115 0.000 1.266 573 F CB 0.140 39.200 39.000 0.100 0.000 1.076 573 F HN 0.792 nan 8.300 nan 0.000 0.574 574 G N 2.430 111.394 108.800 0.274 0.000 2.299 574 G HA2 -0.302 3.659 3.960 0.001 0.000 0.237 574 G HA3 -0.302 3.659 3.960 0.001 0.000 0.237 574 G C 0.030 174.866 174.900 -0.107 0.000 1.027 574 G CA -0.486 44.650 45.100 0.061 0.000 0.619 574 G HN 0.430 nan 8.290 nan 0.000 0.513 575 F N 2.046 122.019 119.950 0.038 0.000 2.411 575 F HA 0.521 5.048 4.527 0.001 0.000 0.350 575 F C 1.676 177.461 175.800 -0.024 0.000 1.114 575 F CA -0.614 57.390 58.000 0.006 0.000 1.135 575 F CB 1.423 40.417 39.000 -0.011 0.000 1.120 575 F HN -0.157 nan 8.300 nan 0.000 0.495 576 K N 1.794 122.303 120.400 0.180 0.000 2.217 576 K HA -0.073 4.248 4.320 0.001 0.000 0.202 576 K C 0.644 177.466 176.600 0.370 0.000 1.051 576 K CA 0.950 57.380 56.287 0.239 0.000 0.952 576 K CB -0.036 32.600 32.500 0.227 0.000 0.736 576 K HN 0.610 nan 8.250 nan 0.000 0.453 577 N N 0.278 119.154 118.700 0.294 0.000 2.377 577 N HA 0.053 4.793 4.740 0.001 0.000 0.259 577 N C -0.757 174.825 175.510 0.121 0.000 1.332 577 N CA -0.346 52.910 53.050 0.344 0.000 0.877 577 N CB 0.003 38.747 38.487 0.428 0.000 1.299 577 N HN -0.045 nan 8.380 nan 0.000 0.501 578 L N 0.682 121.734 121.223 -0.285 0.000 2.349 578 L HA 0.685 5.026 4.340 0.001 0.000 0.278 578 L C -1.812 174.614 176.870 -0.741 0.000 0.996 578 L CA -0.620 54.025 54.840 -0.324 0.000 0.825 578 L CB 0.899 42.767 42.059 -0.319 0.000 1.243 578 L HN -0.012 nan 8.230 nan 0.000 0.412 579 F N 5.041 124.910 119.950 -0.134 0.000 2.551 579 F HA 0.641 5.168 4.527 0.000 0.000 0.316 579 F C -0.580 175.073 175.800 -0.246 0.000 1.089 579 F CA -0.666 57.239 58.000 -0.158 0.000 0.915 579 F CB 1.851 40.787 39.000 -0.107 0.000 1.186 579 F HN 0.178 nan 8.300 nan 0.000 0.456 580 L N 2.344 123.514 121.223 -0.089 0.000 2.322 580 L HA 0.848 5.188 4.340 0.001 0.000 0.281 580 L C 0.144 177.008 176.870 -0.011 0.000 1.014 580 L CA -0.760 53.953 54.840 -0.213 0.000 0.815 580 L CB 1.776 43.539 42.059 -0.494 0.000 1.247 580 L HN 0.780 nan 8.230 nan 0.000 0.421 581 G N 0.558 109.366 108.800 0.013 0.000 2.481 581 G HA2 0.800 4.760 3.960 0.001 0.000 0.315 581 G HA3 0.800 4.760 3.960 0.001 0.000 0.315 581 G C -0.421 174.596 174.900 0.194 0.000 1.231 581 G CA -0.259 44.955 45.100 0.189 0.000 0.968 581 G HN 0.957 nan 8.290 nan 0.000 0.482 582 G N -1.284 107.624 108.800 0.180 0.000 2.343 582 G HA2 0.030 3.991 3.960 0.001 0.000 0.465 582 G HA3 0.030 3.991 3.960 0.001 0.000 0.465 582 G C 0.761 175.709 174.900 0.080 0.000 1.282 582 G CA 0.055 45.234 45.100 0.131 0.000 0.996 582 G HN 1.135 nan 8.290 nan 0.000 0.521 583 C N 0.711 120.035 119.300 0.040 0.000 2.432 583 C HA 0.210 4.670 4.460 0.001 0.000 0.282 583 C C 3.059 178.023 174.990 -0.044 0.000 1.388 583 C CA 1.816 60.836 59.018 0.003 0.000 1.777 583 C CB -1.348 26.430 27.740 0.063 0.000 1.882 583 C HN 1.288 nan 8.230 nan 0.000 0.520 584 G N 1.233 109.921 108.800 -0.186 0.000 2.462 584 G HA2 -0.236 3.724 3.960 0.001 0.000 0.220 584 G HA3 -0.236 3.724 3.960 0.001 0.000 0.220 584 G C 1.425 175.981 174.900 -0.573 0.000 1.121 584 G CA 0.854 45.589 45.100 -0.608 0.000 0.758 584 G HN 0.549 nan 8.290 nan 0.000 0.559 585 N N 0.310 118.873 118.700 -0.227 0.000 2.396 585 N HA 0.023 4.763 4.740 0.001 0.000 0.180 585 N C 0.913 176.430 175.510 0.011 0.000 1.028 585 N CA 0.143 53.198 53.050 0.009 0.000 0.893 585 N CB -0.002 38.542 38.487 0.094 0.000 0.967 585 N HN 0.308 nan 8.380 nan 0.000 0.440 586 I N 3.072 123.644 120.570 0.004 0.000 2.505 586 I HA 0.026 4.196 4.170 0.001 0.000 0.287 586 I C -1.333 174.865 176.117 0.134 0.000 1.104 586 I CA -0.919 60.410 61.300 0.047 0.000 1.387 586 I CB 1.163 39.132 38.000 -0.053 0.000 1.404 586 I HN -0.050 nan 8.210 nan 0.000 0.528 587 P HA 0.060 nan 4.420 nan 0.000 0.267 587 P C 0.266 177.652 177.300 0.143 0.000 1.289 587 P CA 0.201 63.366 63.100 0.109 0.000 0.866 587 P CB 0.214 31.938 31.700 0.040 0.000 1.309 588 T N -2.176 112.498 114.554 0.201 0.000 2.897 588 T HA 0.674 5.024 4.350 0.001 0.000 0.278 588 T C 0.220 175.065 174.700 0.241 0.000 0.981 588 T CA -0.859 61.354 62.100 0.188 0.000 0.973 588 T CB 1.161 70.121 68.868 0.153 0.000 1.092 588 T HN 0.058 nan 8.240 nan 0.000 0.543 589 A N 1.883 124.782 122.820 0.133 0.000 2.310 589 A HA 0.594 4.914 4.320 0.001 0.000 0.300 589 A C -0.602 176.985 177.584 0.005 0.000 1.269 589 A CA -0.828 51.244 52.037 0.058 0.000 0.909 589 A CB -0.966 18.082 19.000 0.079 0.000 1.144 589 A HN 0.855 nan 8.150 nan 0.000 0.540 590 Y N -0.335 119.906 120.300 -0.099 0.000 2.499 590 Y HA 0.735 5.285 4.550 0.000 0.000 0.347 590 Y C 0.731 176.535 175.900 -0.159 0.000 0.987 590 Y CA -0.742 57.126 58.100 -0.388 0.000 1.044 590 Y CB 1.431 39.486 38.460 -0.675 0.000 1.245 590 Y HN 0.374 nan 8.280 nan 0.000 0.461 591 G N 0.468 109.211 108.800 -0.095 0.000 2.724 591 G HA2 0.397 4.357 3.960 0.001 0.000 0.205 591 G HA3 0.397 4.357 3.960 0.001 0.000 0.205 591 G C 0.446 175.442 174.900 0.161 0.000 1.112 591 G CA 0.161 45.391 45.100 0.216 0.000 0.793 591 G HN 0.958 nan 8.290 nan 0.000 0.526 592 A N 0.765 123.500 122.820 -0.142 0.000 2.386 592 A HA 0.450 4.770 4.320 0.001 0.000 0.246 592 A C -0.035 177.433 177.584 -0.192 0.000 1.089 592 A CA -0.398 51.426 52.037 -0.354 0.000 0.790 592 A CB -0.016 18.765 19.000 -0.365 0.000 1.042 592 A HN 0.383 nan 8.150 nan 0.000 0.497 593 N N 1.711 120.155 118.700 -0.427 0.000 2.468 593 N HA 0.256 4.996 4.740 0.001 0.000 0.265 593 N C -2.050 173.342 175.510 -0.197 0.000 1.199 593 N CA -0.817 51.966 53.050 -0.446 0.000 0.928 593 N CB 0.532 38.848 38.487 -0.285 0.000 1.059 593 N HN 0.413 nan 8.380 nan 0.000 0.467 594 P HA 0.022 nan 4.420 nan 0.000 0.251 594 P C 0.396 177.578 177.300 -0.197 0.000 1.223 594 P CA 0.530 63.505 63.100 -0.209 0.000 0.796 594 P CB 0.366 31.920 31.700 -0.244 0.000 1.068 595 T N 0.813 115.327 114.554 -0.067 0.000 2.777 595 T HA -0.115 4.235 4.350 0.001 0.000 0.266 595 T C 1.750 176.526 174.700 0.126 0.000 1.040 595 T CA 0.876 62.999 62.100 0.038 0.000 1.141 595 T CB -0.785 68.132 68.868 0.082 0.000 0.868 595 T HN 0.016 nan 8.240 nan 0.000 0.444 596 L N 1.162 122.487 121.223 0.170 0.000 2.042 596 L HA -0.115 4.225 4.340 0.001 0.000 0.210 596 L C 2.530 179.484 176.870 0.139 0.000 1.076 596 L CA 1.750 56.741 54.840 0.251 0.000 0.749 596 L CB -1.060 41.146 42.059 0.244 0.000 0.893 596 L HN 0.194 nan 8.230 nan 0.000 0.432 597 T N -0.395 114.117 114.554 -0.070 0.000 2.746 597 T HA -0.177 4.173 4.350 0.001 0.000 0.267 597 T C 1.881 176.495 174.700 -0.144 0.000 1.039 597 T CA 1.345 63.304 62.100 -0.235 0.000 1.142 597 T CB -0.512 67.789 68.868 -0.945 0.000 0.866 597 T HN 0.528 nan 8.240 nan 0.000 0.444 598 A N 1.275 124.013 122.820 -0.137 0.000 1.933 598 A HA -0.009 4.312 4.320 0.001 0.000 0.218 598 A C 2.293 179.846 177.584 -0.052 0.000 1.175 598 A CA 1.636 53.631 52.037 -0.071 0.000 0.628 598 A CB -0.694 18.281 19.000 -0.043 0.000 0.814 598 A HN 0.528 nan 8.150 nan 0.000 0.444 599 M N -0.243 119.336 119.600 -0.034 0.000 2.117 599 M HA -0.144 4.337 4.480 0.001 0.000 0.262 599 M C 2.119 178.346 176.300 -0.122 0.000 1.065 599 M CA 2.070 57.325 55.300 -0.074 0.000 1.114 599 M CB -0.156 32.407 32.600 -0.060 0.000 1.361 599 M HN 0.380 nan 8.290 nan 0.000 0.408 600 S N 1.154 116.785 115.700 -0.114 0.000 2.359 600 S HA -0.142 4.328 4.470 0.001 0.000 0.224 600 S C 1.756 176.187 174.600 -0.282 0.000 1.035 600 S CA 1.464 59.537 58.200 -0.212 0.000 1.018 600 S CB -0.560 62.467 63.200 -0.288 0.000 0.876 600 S HN 0.523 nan 8.310 nan 0.000 0.448 601 L N 1.015 122.106 121.223 -0.221 0.000 2.141 601 L HA -0.098 4.242 4.340 0.001 0.000 0.209 601 L C 2.763 179.510 176.870 -0.205 0.000 1.094 601 L CA 1.023 55.730 54.840 -0.223 0.000 0.763 601 L CB -0.698 41.297 42.059 -0.106 0.000 0.908 601 L HN 0.326 nan 8.230 nan 0.000 0.437 602 A N 0.471 123.163 122.820 -0.214 0.000 1.902 602 A HA -0.170 4.150 4.320 0.001 0.000 0.217 602 A C 2.212 179.477 177.584 -0.531 0.000 1.181 602 A CA 1.390 53.179 52.037 -0.415 0.000 0.623 602 A CB -0.575 18.182 19.000 -0.405 0.000 0.818 602 A HN 0.334 nan 8.150 nan 0.000 0.443 603 I N -0.498 119.862 120.570 -0.350 0.000 2.127 603 I HA -0.295 3.875 4.170 0.001 0.000 0.241 603 I C 2.556 178.517 176.117 -0.260 0.000 1.075 603 I CA 1.978 63.108 61.300 -0.283 0.000 1.334 603 I CB -0.297 37.572 38.000 -0.218 0.000 1.040 603 I HN 0.374 nan 8.210 nan 0.000 0.405 604 K N 0.512 120.757 120.400 -0.257 0.000 2.103 604 K HA -0.234 4.086 4.320 0.001 0.000 0.207 604 K C 2.348 178.866 176.600 -0.138 0.000 1.048 604 K CA 1.869 58.034 56.287 -0.205 0.000 0.930 604 K CB -0.115 32.232 32.500 -0.255 0.000 0.716 604 K HN 0.147 nan 8.250 nan 0.000 0.444 605 S N -0.186 115.410 115.700 -0.173 0.000 2.368 605 S HA -0.145 4.325 4.470 0.001 0.000 0.224 605 S C 2.036 176.539 174.600 -0.162 0.000 1.029 605 S CA 1.361 59.500 58.200 -0.101 0.000 0.988 605 S CB -0.406 62.772 63.200 -0.038 0.000 0.838 605 S HN 0.567 nan 8.310 nan 0.000 0.462 606 C N 1.522 120.638 119.300 -0.307 0.000 2.435 606 C HA 0.033 4.493 4.460 0.001 0.000 0.279 606 C C 2.513 177.418 174.990 -0.141 0.000 1.321 606 C CA 0.588 59.443 59.018 -0.271 0.000 1.752 606 C CB -1.411 26.129 27.740 -0.333 0.000 1.959 606 C HN 0.676 nan 8.230 nan 0.000 0.500 607 E N -0.510 119.630 120.200 -0.100 0.000 2.077 607 E HA -0.253 4.098 4.350 0.001 0.000 0.193 607 E C 1.843 178.445 176.600 0.003 0.000 0.989 607 E CA 1.465 57.838 56.400 -0.046 0.000 0.800 607 E CB -0.327 29.341 29.700 -0.053 0.000 0.746 607 E HN 0.816 nan 8.360 nan 0.000 0.452 608 Y N 1.366 121.628 120.300 -0.064 0.000 2.128 608 Y HA -0.256 4.294 4.550 0.000 0.000 0.284 608 Y C 2.001 177.923 175.900 0.037 0.000 1.154 608 Y CA 1.623 59.726 58.100 0.004 0.000 1.149 608 Y CB -0.139 38.353 38.460 0.054 0.000 0.976 608 Y HN -0.044 nan 8.280 nan 0.000 0.505 609 I N 0.299 120.884 120.570 0.024 0.000 2.179 609 I HA -0.348 3.822 4.170 0.001 0.000 0.242 609 I C 2.248 178.412 176.117 0.078 0.000 1.088 609 I CA 1.763 63.072 61.300 0.016 0.000 1.357 609 I CB -0.422 37.390 38.000 -0.314 0.000 1.051 609 I HN 0.182 nan 8.210 nan 0.000 0.409 610 K N 0.361 120.775 120.400 0.023 0.000 2.209 610 K HA -0.212 4.108 4.320 0.001 0.000 0.204 610 K C 2.006 178.639 176.600 0.055 0.000 1.048 610 K CA 1.185 57.551 56.287 0.131 0.000 0.940 610 K CB -0.151 32.404 32.500 0.092 0.000 0.729 610 K HN 0.435 nan 8.250 nan 0.000 0.451 611 Q N -0.156 119.606 119.800 -0.064 0.000 2.389 611 Q HA 0.041 4.382 4.340 0.001 0.000 0.204 611 Q C 1.019 176.897 176.000 -0.204 0.000 0.944 611 Q CA 0.623 56.347 55.803 -0.133 0.000 0.908 611 Q CB 0.390 29.016 28.738 -0.188 0.000 1.002 611 Q HN 0.288 nan 8.270 nan 0.000 0.493 612 N N -1.344 117.210 118.700 -0.243 0.000 2.145 612 N HA 0.142 4.882 4.740 0.001 0.000 0.219 612 N C -0.956 174.209 175.510 -0.575 0.000 1.266 612 N CA 0.235 53.019 53.050 -0.444 0.000 0.902 612 N CB 1.105 39.176 38.487 -0.694 0.000 1.078 612 N HN -0.008 nan 8.380 nan 0.000 0.513 613 F N 0.644 120.620 119.950 0.043 0.000 2.556 613 F HA 0.348 4.875 4.527 0.001 0.000 0.314 613 F C 0.098 176.019 175.800 0.201 0.000 1.106 613 F CA -0.606 57.478 58.000 0.140 0.000 0.911 613 F CB 1.934 41.039 39.000 0.174 0.000 1.190 613 F HN -0.381 nan 8.300 nan 0.000 0.448 614 T N 3.987 118.702 114.554 0.268 0.000 2.799 614 T HA 0.426 4.776 4.350 0.001 0.000 0.286 614 T C -2.504 172.207 174.700 0.018 0.000 0.973 614 T CA -1.384 60.767 62.100 0.085 0.000 1.035 614 T CB 1.153 70.040 68.868 0.031 0.000 0.932 614 T HN 0.139 nan 8.240 nan 0.000 0.469 615 P HA 0.169 nan 4.420 nan 0.000 0.269 615 P C -0.154 177.078 177.300 -0.115 0.000 1.215 615 P CA -0.502 62.372 63.100 -0.378 0.000 0.780 615 P CB 0.320 31.646 31.700 -0.622 0.000 0.898 616 S N 2.027 117.698 115.700 -0.048 0.000 2.593 616 S HA 0.390 4.861 4.470 0.001 0.000 0.269 616 S C -2.257 172.331 174.600 -0.019 0.000 1.334 616 S CA -1.099 57.088 58.200 -0.021 0.000 1.015 616 S CB -0.837 62.352 63.200 -0.019 0.000 0.912 616 S HN 0.271 nan 8.310 nan 0.000 0.541 617 P HA 0.195 nan 4.420 nan 0.000 0.268 617 P C -0.304 177.045 177.300 0.081 0.000 1.205 617 P CA -0.389 62.735 63.100 0.040 0.000 0.771 617 P CB 0.135 31.854 31.700 0.033 0.000 0.858 618 F N 0.000 119.935 119.950 -0.026 0.000 2.286 618 F HA 0.000 4.527 4.527 0.000 0.000 0.279 618 F CA 0.000 57.990 58.000 -0.017 0.000 1.383 618 F CB 0.000 38.991 39.000 -0.014 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574