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 2o1v_1_A DATA FIRST_RESID 85 DATA SEQUENCE MMKLIINSLY KNKEIFLREL ISNASDALDK IRLISLTDEN ALAGNEELTV DATA SEQUENCE KIKCDKEKNL LHVTDTGVGM TREELVKNLG TXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXVGFYSAFL VADKVIVTSK HNNDTQHIWE SDSNEFSVIA DATA SEQUENCE DPRGNTLGRG TTITLVLKEE ASDYLELDTI KNLVKKYSQF INFPIYVWSS DATA SEQUENCE KXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXVWDWE DATA SEQUENCE LMNDIKPIWQ RPSKEVEDDE YKAFYKSFSK ESDDPMAYIH FTAEGEVTFK DATA SEQUENCE SILFVPTSAP RXXXXXXXXX XXXYIKLYVR RVFITDDFHD MMPKYLNFVK DATA SEQUENCE GVVDSDDLPL NVSRETLQQH KLLKVIRKKL VRKTLDMIKK IADEKYNDTF DATA SEQUENCE WKEFGTNIKL GVIEDHSNRT RLAKLLRFQS SHHPSDITSL DQYVERMKEK DATA SEQUENCE QDKIYFMAGS SRKEAESSPF VERLLKKGYE VIYLTEPVDE YCIQALPEFD DATA SEQUENCE GKRFQNVAKE GVKFDESEKT KESREAIEKE FEPLLNWMKD KALKDKIEKA DATA SEQUENCE VVSQRLTESP CALVASQYGW SGNMERIMKA QAYQTGKDIS TNYYASQKKT DATA SEQUENCE FEINPRHPLI KDMLRRVKED EDDKTVSDLA VVLFETATLR SGYLLPDTKA DATA SEQUENCE YGDRIERMLR LSLNI 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 85 M HA 0.000 nan 4.480 nan 0.000 0.227 85 M C 0.000 176.306 176.300 0.011 0.000 1.140 85 M CA 0.000 55.300 55.300 0.000 0.000 0.988 85 M CB 0.000 32.595 32.600 -0.009 0.000 1.302 86 M N 0.224 119.840 119.600 0.027 0.000 3.033 86 M HA 0.313 4.795 4.480 0.003 0.000 0.178 86 M C 1.532 177.859 176.300 0.046 0.000 1.565 86 M CA 0.989 56.313 55.300 0.041 0.000 1.488 86 M CB 0.249 32.864 32.600 0.024 0.000 0.877 86 M HN 0.852 nan 8.290 nan 0.000 0.542 87 K N 0.797 121.212 120.400 0.025 0.000 2.440 87 K HA 0.347 4.669 4.320 0.003 0.000 0.206 87 K C 0.099 176.714 176.600 0.025 0.000 1.025 87 K CA 0.085 56.383 56.287 0.017 0.000 1.135 87 K CB 0.087 32.586 32.500 -0.002 0.000 0.856 87 K HN 0.332 nan 8.250 nan 0.000 0.502 88 L N 1.883 123.125 121.223 0.031 0.000 3.100 88 L HA 0.396 4.738 4.340 0.003 0.000 0.259 88 L C 0.520 177.418 176.870 0.047 0.000 1.316 88 L CA -0.167 54.692 54.840 0.032 0.000 0.992 88 L CB 0.128 42.199 42.059 0.020 0.000 1.390 88 L HN 0.231 nan 8.230 nan 0.000 0.550 89 I N -1.479 119.130 120.570 0.065 0.000 4.323 89 I HA 0.056 4.228 4.170 0.003 0.000 0.328 89 I C 1.896 178.072 176.117 0.098 0.000 1.310 89 I CA 0.242 61.591 61.300 0.083 0.000 1.186 89 I CB 0.578 38.641 38.000 0.105 0.000 1.130 89 I HN 0.236 nan 8.210 nan 0.000 0.411 90 I N 1.241 121.866 120.570 0.093 0.000 2.333 90 I HA -0.174 3.998 4.170 0.003 0.000 0.246 90 I C 2.274 178.466 176.117 0.125 0.000 1.106 90 I CA 1.267 62.629 61.300 0.103 0.000 1.411 90 I CB -0.360 37.688 38.000 0.081 0.000 1.082 90 I HN 0.243 nan 8.210 nan 0.000 0.420 91 N N 0.844 119.600 118.700 0.093 0.000 2.331 91 N HA -0.140 4.602 4.740 0.003 0.000 0.180 91 N C 1.934 177.550 175.510 0.176 0.000 1.019 91 N CA 1.553 54.654 53.050 0.085 0.000 0.881 91 N CB -0.015 38.473 38.487 0.002 0.000 0.972 91 N HN 0.345 nan 8.380 nan 0.000 0.435 92 S N -0.753 115.032 115.700 0.141 0.000 2.428 92 S HA 0.035 4.507 4.470 0.003 0.000 0.230 92 S C 1.153 175.847 174.600 0.157 0.000 1.014 92 S CA 0.474 58.759 58.200 0.141 0.000 0.957 92 S CB -0.096 63.157 63.200 0.087 0.000 0.784 92 S HN 0.273 nan 8.310 nan 0.000 0.499 93 L N 1.515 122.831 121.223 0.155 0.000 3.168 93 L HA 0.383 4.725 4.340 0.003 0.000 0.277 93 L C 0.894 177.836 176.870 0.121 0.000 1.308 93 L CA -0.433 54.469 54.840 0.104 0.000 0.976 93 L CB 0.036 42.141 42.059 0.078 0.000 1.383 93 L HN 0.429 nan 8.230 nan 0.000 0.572 94 Y N -1.377 118.951 120.300 0.047 0.000 2.457 94 Y HA 0.022 4.574 4.550 0.003 0.000 0.292 94 Y C 2.228 178.162 175.900 0.056 0.000 1.125 94 Y CA 0.587 58.717 58.100 0.049 0.000 1.254 94 Y CB -0.008 38.475 38.460 0.039 0.000 1.012 94 Y HN 0.031 nan 8.280 nan 0.000 0.555 95 K N 1.476 121.459 120.400 -0.694 0.000 1.973 95 K HA -0.054 4.268 4.320 0.003 0.000 0.210 95 K C -0.287 176.192 176.600 -0.202 0.000 1.045 95 K CA 1.434 57.361 56.287 -0.601 0.000 0.937 95 K CB -0.248 31.983 32.500 -0.448 0.000 0.721 95 K HN 0.279 nan 8.250 nan 0.000 0.438 96 N N 1.046 119.688 118.700 -0.097 0.000 2.918 96 N HA 0.081 4.822 4.740 0.003 0.000 0.247 96 N C -0.454 175.070 175.510 0.025 0.000 1.117 96 N CA -0.064 52.980 53.050 -0.011 0.000 1.005 96 N CB 0.904 39.394 38.487 0.005 0.000 1.297 96 N HN 0.299 nan 8.380 nan 0.000 0.513 97 K N -0.105 120.331 120.400 0.060 0.000 2.380 97 K HA 0.053 4.374 4.320 0.003 0.000 0.198 97 K C 0.897 177.601 176.600 0.172 0.000 1.070 97 K CA 0.121 56.470 56.287 0.104 0.000 1.040 97 K CB 0.314 32.882 32.500 0.114 0.000 0.903 97 K HN 0.337 nan 8.250 nan 0.000 0.549 98 E N 2.417 122.713 120.200 0.161 0.000 2.427 98 E HA -0.097 4.255 4.350 0.003 0.000 0.196 98 E C 1.859 178.341 176.600 -0.197 0.000 1.028 98 E CA 0.545 57.032 56.400 0.144 0.000 0.864 98 E CB -0.557 29.264 29.700 0.201 0.000 0.813 98 E HN 0.627 nan 8.360 nan 0.000 0.514 99 I N -0.642 119.801 120.570 -0.211 0.000 3.001 99 I HA -0.048 4.124 4.170 0.003 0.000 0.268 99 I C 2.128 178.015 176.117 -0.384 0.000 1.267 99 I CA 0.163 61.200 61.300 -0.439 0.000 1.472 99 I CB -0.728 37.142 38.000 -0.218 0.000 1.089 99 I HN 0.074 nan 8.210 nan 0.000 0.468 100 F N 1.025 120.800 119.950 -0.291 0.000 2.192 100 F HA -0.194 4.335 4.527 0.003 0.000 0.301 100 F C 1.924 177.572 175.800 -0.253 0.000 1.079 100 F CA 1.298 59.146 58.000 -0.254 0.000 1.303 100 F CB -0.881 37.952 39.000 -0.278 0.000 1.024 100 F HN 0.154 nan 8.300 nan 0.000 0.494 101 L N 1.175 121.472 121.223 -1.543 0.000 2.044 101 L HA -0.024 4.318 4.340 0.003 0.000 0.205 101 L C 2.814 179.368 176.870 -0.526 0.000 1.075 101 L CA 1.669 55.837 54.840 -1.119 0.000 0.747 101 L CB -1.024 40.342 42.059 -1.155 0.000 0.903 101 L HN 0.283 nan 8.230 nan 0.000 0.435 102 R N -0.415 119.774 120.500 -0.518 0.000 2.113 102 R HA -0.207 4.135 4.340 0.003 0.000 0.244 102 R C 1.946 178.152 176.300 -0.157 0.000 1.142 102 R CA 1.900 57.837 56.100 -0.272 0.000 0.953 102 R CB -0.260 29.866 30.300 -0.290 0.000 0.860 102 R HN 0.411 nan 8.270 nan 0.000 0.438 103 E N 0.484 120.583 120.200 -0.167 0.000 2.265 103 E HA -0.160 4.192 4.350 0.003 0.000 0.196 103 E C 1.989 178.567 176.600 -0.037 0.000 0.996 103 E CA 0.879 57.237 56.400 -0.070 0.000 0.832 103 E CB -0.015 29.660 29.700 -0.043 0.000 0.756 103 E HN 0.493 nan 8.360 nan 0.000 0.491 104 L N 0.009 121.185 121.223 -0.079 0.000 2.307 104 L HA 0.005 4.346 4.340 0.003 0.000 0.211 104 L C 2.097 178.950 176.870 -0.029 0.000 1.099 104 L CA 0.142 54.966 54.840 -0.026 0.000 0.816 104 L CB -0.039 42.000 42.059 -0.034 0.000 0.952 104 L HN 0.069 nan 8.230 nan 0.000 0.455 105 I N -0.833 119.703 120.570 -0.056 0.000 2.400 105 I HA -0.152 4.020 4.170 0.003 0.000 0.248 105 I C 2.721 178.832 176.117 -0.010 0.000 1.109 105 I CA 1.071 62.353 61.300 -0.030 0.000 1.425 105 I CB -1.027 36.956 38.000 -0.028 0.000 1.094 105 I HN 0.152 nan 8.210 nan 0.000 0.425 106 S N 1.746 117.442 115.700 -0.006 0.000 2.370 106 S HA -0.203 4.268 4.470 0.003 0.000 0.226 106 S C 1.767 176.359 174.600 -0.014 0.000 1.033 106 S CA 1.942 60.147 58.200 0.008 0.000 1.011 106 S CB -0.194 63.012 63.200 0.011 0.000 0.852 106 S HN 0.421 nan 8.310 nan 0.000 0.457 107 N N 1.622 120.314 118.700 -0.015 0.000 2.216 107 N HA 0.132 4.874 4.740 0.003 0.000 0.183 107 N C 1.870 177.344 175.510 -0.061 0.000 1.017 107 N CA 1.262 54.295 53.050 -0.027 0.000 0.861 107 N CB -0.907 37.584 38.487 0.007 0.000 0.986 107 N HN 0.492 nan 8.380 nan 0.000 0.428 108 A N 0.143 122.928 122.820 -0.059 0.000 1.902 108 A HA -0.131 4.190 4.320 0.003 0.000 0.217 108 A C 2.409 179.883 177.584 -0.183 0.000 1.181 108 A CA 1.958 53.935 52.037 -0.100 0.000 0.623 108 A CB -0.974 17.984 19.000 -0.071 0.000 0.818 108 A HN 0.320 nan 8.150 nan 0.000 0.443 109 S N -0.280 115.338 115.700 -0.138 0.000 2.368 109 S HA -0.187 4.285 4.470 0.003 0.000 0.225 109 S C 1.646 176.134 174.600 -0.187 0.000 1.030 109 S CA 1.717 59.816 58.200 -0.168 0.000 0.999 109 S CB -0.529 62.706 63.200 0.059 0.000 0.844 109 S HN 0.549 nan 8.310 nan 0.000 0.459 110 D N 1.378 121.704 120.400 -0.122 0.000 2.144 110 D HA 0.014 4.656 4.640 0.003 0.000 0.199 110 D C 2.183 178.408 176.300 -0.125 0.000 0.984 110 D CA 1.296 55.224 54.000 -0.120 0.000 0.834 110 D CB -0.610 40.135 40.800 -0.092 0.000 0.955 110 D HN 0.507 nan 8.370 nan 0.000 0.465 111 A N 0.336 123.069 122.820 -0.146 0.000 1.930 111 A HA -0.072 4.250 4.320 0.003 0.000 0.217 111 A C 2.331 179.802 177.584 -0.189 0.000 1.175 111 A CA 0.746 52.700 52.037 -0.139 0.000 0.627 111 A CB -0.625 18.298 19.000 -0.128 0.000 0.815 111 A HN 0.201 nan 8.150 nan 0.000 0.443 112 L N -0.635 120.379 121.223 -0.348 0.000 2.156 112 L HA -0.136 4.205 4.340 0.003 0.000 0.208 112 L C 1.921 178.632 176.870 -0.265 0.000 1.095 112 L CA 1.076 55.601 54.840 -0.525 0.000 0.770 112 L CB -0.492 40.761 42.059 -1.343 0.000 0.914 112 L HN 0.246 nan 8.230 nan 0.000 0.439 113 D N 0.364 120.694 120.400 -0.116 0.000 2.144 113 D HA -0.156 4.486 4.640 0.003 0.000 0.199 113 D C 2.195 178.574 176.300 0.131 0.000 0.984 113 D CA 1.185 55.282 54.000 0.163 0.000 0.834 113 D CB 0.052 40.917 40.800 0.108 0.000 0.955 113 D HN 0.257 nan 8.370 nan 0.000 0.465 114 K N -0.098 120.326 120.400 0.039 0.000 2.062 114 K HA -0.060 4.261 4.320 0.003 0.000 0.205 114 K C 2.032 178.639 176.600 0.012 0.000 1.051 114 K CA 0.394 56.702 56.287 0.035 0.000 0.941 114 K CB 0.024 32.528 32.500 0.007 0.000 0.719 114 K HN 0.040 nan 8.250 nan 0.000 0.440 115 I N 1.355 121.912 120.570 -0.021 0.000 2.439 115 I HA -0.151 4.021 4.170 0.003 0.000 0.251 115 I C 2.213 178.333 176.117 0.005 0.000 1.139 115 I CA 1.138 62.418 61.300 -0.034 0.000 1.438 115 I CB -0.083 37.871 38.000 -0.076 0.000 1.085 115 I HN -0.001 nan 8.210 nan 0.000 0.427 116 R N -0.239 120.290 120.500 0.047 0.000 2.115 116 R HA -0.138 4.204 4.340 0.003 0.000 0.230 116 R C 2.163 178.502 176.300 0.065 0.000 1.111 116 R CA 1.279 57.433 56.100 0.089 0.000 0.976 116 R CB -0.281 30.134 30.300 0.192 0.000 0.870 116 R HN 0.368 nan 8.270 nan 0.000 0.445 117 L N 0.842 122.100 121.223 0.058 0.000 2.109 117 L HA -0.039 4.302 4.340 0.003 0.000 0.207 117 L C 1.815 178.689 176.870 0.006 0.000 1.086 117 L CA 1.542 56.396 54.840 0.022 0.000 0.760 117 L CB -0.190 41.879 42.059 0.018 0.000 0.910 117 L HN 0.184 nan 8.230 nan 0.000 0.437 118 I N -0.509 120.066 120.570 0.008 0.000 2.252 118 I HA -0.259 3.913 4.170 0.003 0.000 0.245 118 I C 2.435 178.553 176.117 0.002 0.000 1.102 118 I CA 1.345 62.645 61.300 0.002 0.000 1.385 118 I CB -0.485 37.511 38.000 -0.007 0.000 1.064 118 I HN 0.450 nan 8.210 nan 0.000 0.414 119 S N 1.152 116.856 115.700 0.005 0.000 2.500 119 S HA -0.076 4.396 4.470 0.003 0.000 0.239 119 S C 1.804 176.410 174.600 0.010 0.000 0.989 119 S CA 0.742 58.946 58.200 0.008 0.000 0.951 119 S CB -0.710 62.499 63.200 0.015 0.000 0.759 119 S HN 0.456 nan 8.310 nan 0.000 0.523 120 L N 1.484 122.712 121.223 0.008 0.000 2.313 120 L HA 0.045 4.386 4.340 0.003 0.000 0.214 120 L C 2.509 179.382 176.870 0.005 0.000 1.119 120 L CA 1.346 56.189 54.840 0.006 0.000 0.809 120 L CB -0.719 41.338 42.059 -0.003 0.000 0.933 120 L HN 0.627 nan 8.230 nan 0.000 0.449 121 T N -6.552 108.005 114.554 0.004 0.000 3.004 121 T HA 0.108 4.460 4.350 0.003 0.000 0.266 121 T C 0.208 174.912 174.700 0.006 0.000 0.986 121 T CA -0.345 61.759 62.100 0.006 0.000 0.902 121 T CB 0.348 69.219 68.868 0.006 0.000 1.118 121 T HN -0.067 nan 8.240 nan 0.000 0.522 122 D N 1.046 121.449 120.400 0.005 0.000 2.454 122 D HA 0.524 5.165 4.640 0.003 0.000 0.247 122 D C 1.175 177.477 176.300 0.003 0.000 1.129 122 D CA 0.061 54.063 54.000 0.003 0.000 0.877 122 D CB 1.646 42.447 40.800 0.001 0.000 1.082 122 D HN 0.247 nan 8.370 nan 0.000 0.537 123 E N 3.279 123.482 120.200 0.004 0.000 2.058 123 E HA -0.252 4.099 4.350 0.003 0.000 0.194 123 E C 1.085 177.687 176.600 0.003 0.000 0.997 123 E CA 1.827 58.229 56.400 0.005 0.000 0.801 123 E CB -0.891 28.812 29.700 0.005 0.000 0.746 123 E HN 0.655 nan 8.360 nan 0.000 0.450 124 N N -0.326 118.375 118.700 0.000 0.000 2.327 124 N HA 0.492 5.233 4.740 0.003 0.000 0.231 124 N C 1.060 176.565 175.510 -0.008 0.000 1.130 124 N CA 0.670 53.718 53.050 -0.002 0.000 0.845 124 N CB 0.556 39.042 38.487 -0.001 0.000 1.073 124 N HN 0.388 nan 8.380 nan 0.000 0.496 125 A N -0.119 122.695 122.820 -0.010 0.000 2.168 125 A HA 0.160 4.482 4.320 0.003 0.000 0.215 125 A C 1.364 178.930 177.584 -0.029 0.000 1.152 125 A CA 0.467 52.491 52.037 -0.022 0.000 0.716 125 A CB -0.243 18.745 19.000 -0.020 0.000 0.794 125 A HN 0.391 nan 8.150 nan 0.000 0.465 126 L N -1.402 119.811 121.223 -0.017 0.000 2.910 126 L HA 0.235 4.577 4.340 0.003 0.000 0.252 126 L C 2.160 179.021 176.870 -0.015 0.000 1.195 126 L CA 0.356 55.186 54.840 -0.017 0.000 1.003 126 L CB 0.099 42.156 42.059 -0.004 0.000 1.328 126 L HN 0.322 nan 8.230 nan 0.000 0.540 127 A N 0.622 123.433 122.820 -0.015 0.000 2.019 127 A HA -0.052 4.270 4.320 0.003 0.000 0.219 127 A C 2.267 179.842 177.584 -0.014 0.000 1.164 127 A CA 1.743 53.774 52.037 -0.011 0.000 0.644 127 A CB -0.534 18.461 19.000 -0.009 0.000 0.805 127 A HN 0.441 nan 8.150 nan 0.000 0.449 128 G N -1.119 107.668 108.800 -0.022 0.000 2.395 128 G HA2 -0.013 3.948 3.960 0.003 0.000 0.214 128 G HA3 -0.013 3.948 3.960 0.003 0.000 0.214 128 G C 0.627 175.513 174.900 -0.023 0.000 1.177 128 G CA 0.684 45.770 45.100 -0.023 0.000 0.794 128 G HN 0.490 nan 8.290 nan 0.000 0.532 129 N N -0.413 118.271 118.700 -0.026 0.000 2.549 129 N HA 0.106 4.848 4.740 0.003 0.000 0.290 129 N C 0.549 176.048 175.510 -0.019 0.000 1.122 129 N CA -0.359 52.676 53.050 -0.025 0.000 0.885 129 N CB 1.778 40.244 38.487 -0.034 0.000 1.455 129 N HN -0.028 nan 8.380 nan 0.000 0.521 130 E N 1.571 121.764 120.200 -0.012 0.000 2.051 130 E HA -0.163 4.189 4.350 0.003 0.000 0.192 130 E C 0.360 176.964 176.600 0.007 0.000 0.991 130 E CA 1.272 57.671 56.400 -0.002 0.000 0.799 130 E CB 0.001 29.701 29.700 0.001 0.000 0.748 130 E HN 0.782 nan 8.360 nan 0.000 0.449 131 E N 1.084 121.285 120.200 0.002 0.000 2.371 131 E HA 0.304 4.656 4.350 0.003 0.000 0.257 131 E C -0.332 176.284 176.600 0.027 0.000 1.134 131 E CA -0.242 56.169 56.400 0.019 0.000 0.919 131 E CB 0.845 30.548 29.700 0.005 0.000 1.025 131 E HN -0.016 nan 8.360 nan 0.000 0.438 132 L N 1.807 123.075 121.223 0.076 0.000 2.388 132 L HA 0.391 4.733 4.340 0.003 0.000 0.267 132 L C -0.252 176.705 176.870 0.144 0.000 0.995 132 L CA -0.445 54.453 54.840 0.097 0.000 0.864 132 L CB 1.709 43.902 42.059 0.223 0.000 1.216 132 L HN 0.681 nan 8.230 nan 0.000 0.430 133 T N 1.778 116.356 114.554 0.040 0.000 2.812 133 T HA 0.721 5.073 4.350 0.003 0.000 0.294 133 T C -1.515 173.182 174.700 -0.005 0.000 1.159 133 T CA -0.359 61.783 62.100 0.071 0.000 1.008 133 T CB 2.161 71.082 68.868 0.089 0.000 1.289 133 T HN 0.071 nan 8.240 nan 0.000 0.514 134 V N 3.066 122.994 119.914 0.023 0.000 2.447 134 V HA 0.522 4.644 4.120 0.003 0.000 0.292 134 V C -0.629 175.484 176.094 0.031 0.000 1.021 134 V CA -0.753 61.548 62.300 0.002 0.000 0.850 134 V CB 1.557 33.382 31.823 0.002 0.000 1.005 134 V HN 0.750 nan 8.190 nan 0.000 0.426 135 K N 5.625 126.022 120.400 -0.005 0.000 2.244 135 K HA 0.745 5.067 4.320 0.003 0.000 0.260 135 K C -1.178 175.556 176.600 0.223 0.000 0.951 135 K CA -0.542 55.738 56.287 -0.011 0.000 0.826 135 K CB 2.496 34.776 32.500 -0.365 0.000 1.108 135 K HN 0.524 nan 8.250 nan 0.000 0.433 136 I N 3.094 123.928 120.570 0.440 0.000 2.418 136 I HA 0.297 4.469 4.170 0.003 0.000 0.287 136 I C -0.580 175.831 176.117 0.489 0.000 1.008 136 I CA -0.789 60.745 61.300 0.389 0.000 1.104 136 I CB 1.658 39.824 38.000 0.276 0.000 1.264 136 I HN 0.316 nan 8.210 nan 0.000 0.438 137 K N 5.013 125.646 120.400 0.388 0.000 2.244 137 K HA 0.573 4.895 4.320 0.003 0.000 0.260 137 K C -1.322 175.459 176.600 0.302 0.000 0.951 137 K CA -0.630 55.849 56.287 0.319 0.000 0.826 137 K CB 2.259 34.826 32.500 0.111 0.000 1.108 137 K HN 0.526 nan 8.250 nan 0.000 0.433 138 C N 2.075 121.560 119.300 0.307 0.000 2.265 138 C HA 0.245 4.707 4.460 0.003 0.000 0.332 138 C C 0.018 175.137 174.990 0.216 0.000 1.248 138 C CA -0.493 58.678 59.018 0.255 0.000 1.727 138 C CB -0.424 27.482 27.740 0.276 0.000 2.348 138 C HN 0.704 nan 8.230 nan 0.000 0.519 139 D N 2.319 122.811 120.400 0.153 0.000 2.441 139 D HA 0.110 4.752 4.640 0.003 0.000 0.287 139 D C 0.997 177.340 176.300 0.071 0.000 1.198 139 D CA -0.196 53.870 54.000 0.110 0.000 0.894 139 D CB 0.365 41.257 40.800 0.154 0.000 1.070 139 D HN 0.570 nan 8.370 nan 0.000 0.499 140 K N 1.495 121.944 120.400 0.081 0.000 2.032 140 K HA -0.190 4.132 4.320 0.003 0.000 0.209 140 K C 1.197 177.820 176.600 0.038 0.000 1.048 140 K CA 1.346 57.669 56.287 0.061 0.000 0.927 140 K CB 0.287 32.831 32.500 0.075 0.000 0.712 140 K HN 0.320 nan 8.250 nan 0.000 0.441 141 E N 0.264 120.485 120.200 0.035 0.000 2.086 141 E HA -0.224 4.128 4.350 0.003 0.000 0.200 141 E C 1.624 178.232 176.600 0.014 0.000 1.012 141 E CA 1.821 58.233 56.400 0.020 0.000 0.812 141 E CB 0.015 29.721 29.700 0.010 0.000 0.743 141 E HN 0.363 nan 8.360 nan 0.000 0.453 142 K N -0.022 120.388 120.400 0.018 0.000 2.374 142 K HA 0.062 4.384 4.320 0.003 0.000 0.196 142 K C 0.229 176.830 176.600 0.002 0.000 1.023 142 K CA 0.082 56.377 56.287 0.014 0.000 1.103 142 K CB 0.324 32.842 32.500 0.029 0.000 0.848 142 K HN -0.017 nan 8.250 nan 0.000 0.528 143 N N 1.418 120.117 118.700 -0.000 0.000 2.756 143 N HA -0.162 4.579 4.740 0.003 0.000 0.248 143 N C -1.559 173.923 175.510 -0.046 0.000 1.062 143 N CA 0.599 53.640 53.050 -0.014 0.000 0.696 143 N CB -1.298 37.181 38.487 -0.013 0.000 0.946 143 N HN 0.185 nan 8.380 nan 0.000 0.548 144 L N 0.158 121.338 121.223 -0.072 0.000 2.409 144 L HA 0.570 4.912 4.340 0.003 0.000 0.272 144 L C -0.438 176.250 176.870 -0.304 0.000 0.980 144 L CA -1.091 53.627 54.840 -0.203 0.000 0.826 144 L CB 1.711 43.628 42.059 -0.238 0.000 1.268 144 L HN 0.045 nan 8.230 nan 0.000 0.407 145 L N 3.682 124.728 121.223 -0.294 0.000 2.287 145 L HA 0.477 4.819 4.340 0.003 0.000 0.287 145 L C -0.555 176.161 176.870 -0.256 0.000 1.022 145 L CA 0.041 54.775 54.840 -0.176 0.000 0.814 145 L CB 0.615 42.674 42.059 0.000 0.000 1.217 145 L HN 0.417 nan 8.230 nan 0.000 0.420 146 H N 4.810 123.933 119.070 0.089 0.000 2.467 146 H HA 0.519 5.077 4.556 0.003 0.000 0.326 146 H C -0.932 174.460 175.328 0.107 0.000 1.094 146 H CA -0.629 55.468 56.048 0.083 0.000 1.253 146 H CB 1.974 31.773 29.762 0.061 0.000 1.439 146 H HN 0.354 nan 8.280 nan 0.000 0.479 147 V N 4.021 124.055 119.914 0.199 0.000 2.340 147 V HA 0.105 4.226 4.120 0.003 0.000 0.277 147 V C 0.116 176.277 176.094 0.111 0.000 1.017 147 V CA -0.617 61.769 62.300 0.142 0.000 0.820 147 V CB 1.139 33.019 31.823 0.095 0.000 1.028 147 V HN 0.758 nan 8.190 nan 0.000 0.436 148 T N 3.954 118.570 114.554 0.104 0.000 2.733 148 T HA 0.464 4.816 4.350 0.003 0.000 0.294 148 T C -0.212 174.487 174.700 -0.002 0.000 0.956 148 T CA -0.355 61.773 62.100 0.048 0.000 0.987 148 T CB 0.963 69.853 68.868 0.037 0.000 0.920 148 T HN 0.890 nan 8.240 nan 0.000 0.470 149 D N 1.088 121.477 120.400 -0.019 0.000 2.384 149 D HA 0.462 5.104 4.640 0.003 0.000 0.250 149 D C 0.469 176.727 176.300 -0.070 0.000 1.029 149 D CA -0.817 53.149 54.000 -0.058 0.000 0.990 149 D CB 1.019 41.773 40.800 -0.077 0.000 1.175 149 D HN 0.369 nan 8.370 nan 0.000 0.532 150 T N -2.418 112.079 114.554 -0.095 0.000 3.380 150 T HA 0.528 4.880 4.350 0.003 0.000 0.289 150 T C 0.861 175.497 174.700 -0.107 0.000 1.012 150 T CA -0.462 61.587 62.100 -0.086 0.000 0.944 150 T CB -0.101 68.726 68.868 -0.069 0.000 1.172 150 T HN 0.515 nan 8.240 nan 0.000 0.502 151 G N 0.796 109.518 108.800 -0.131 0.000 2.489 151 G HA2 0.351 4.313 3.960 0.003 0.000 0.271 151 G HA3 0.351 4.313 3.960 0.003 0.000 0.271 151 G C 1.187 176.016 174.900 -0.118 0.000 1.427 151 G CA -0.015 44.997 45.100 -0.148 0.000 1.057 151 G HN 0.174 nan 8.290 nan 0.000 0.532 152 V N 0.191 120.039 119.914 -0.110 0.000 2.324 152 V HA 0.210 4.332 4.120 0.003 0.000 0.250 152 V C 1.651 177.685 176.094 -0.101 0.000 1.060 152 V CA 3.103 65.331 62.300 -0.120 0.000 1.042 152 V CB -1.133 30.658 31.823 -0.053 0.000 0.650 152 V HN 2.233 nan 8.190 nan 0.000 0.450 153 G N -0.671 108.117 108.800 -0.020 0.000 2.698 153 G HA2 -0.201 3.761 3.960 0.003 0.000 0.225 153 G HA3 -0.201 3.761 3.960 0.003 0.000 0.225 153 G C -0.619 174.368 174.900 0.145 0.000 1.345 153 G CA 0.058 45.183 45.100 0.042 0.000 0.871 153 G HN 0.602 nan 8.290 nan 0.000 0.540 154 M N 1.121 120.782 119.600 0.102 0.000 2.326 154 M HA 0.455 4.937 4.480 0.003 0.000 0.292 154 M C 0.697 176.974 176.300 -0.037 0.000 1.081 154 M CA -0.342 54.954 55.300 -0.006 0.000 0.919 154 M CB 2.536 35.066 32.600 -0.116 0.000 1.634 154 M HN 1.118 nan 8.290 nan 0.000 0.451 155 T N -1.305 113.130 114.554 -0.198 0.000 2.754 155 T HA 0.342 4.694 4.350 0.003 0.000 0.286 155 T C 1.064 175.650 174.700 -0.189 0.000 0.997 155 T CA -0.466 61.521 62.100 -0.188 0.000 0.982 155 T CB 1.310 69.997 68.868 -0.302 0.000 1.027 155 T HN 0.816 nan 8.240 nan 0.000 0.529 156 R N 0.259 120.613 120.500 -0.244 0.000 2.094 156 R HA -0.167 4.175 4.340 0.003 0.000 0.239 156 R C 2.221 178.401 176.300 -0.199 0.000 1.137 156 R CA 2.183 58.074 56.100 -0.348 0.000 0.943 156 R CB -0.465 29.620 30.300 -0.358 0.000 0.850 156 R HN 0.783 nan 8.270 nan 0.000 0.433 157 E N 0.099 120.205 120.200 -0.157 0.000 2.204 157 E HA -0.148 4.204 4.350 0.003 0.000 0.194 157 E C 1.690 178.204 176.600 -0.143 0.000 0.989 157 E CA 1.256 57.583 56.400 -0.121 0.000 0.824 157 E CB 0.080 29.721 29.700 -0.098 0.000 0.756 157 E HN 0.477 nan 8.360 nan 0.000 0.477 158 E N -0.173 119.922 120.200 -0.175 0.000 2.216 158 E HA -0.040 4.312 4.350 0.003 0.000 0.192 158 E C 1.741 178.201 176.600 -0.233 0.000 0.988 158 E CA 0.341 56.627 56.400 -0.191 0.000 0.834 158 E CB 0.049 29.629 29.700 -0.199 0.000 0.772 158 E HN 0.238 nan 8.360 nan 0.000 0.479 159 L N 0.603 121.687 121.223 -0.232 0.000 2.217 159 L HA -0.080 4.262 4.340 0.003 0.000 0.211 159 L C 2.105 178.789 176.870 -0.311 0.000 1.107 159 L CA 0.555 55.212 54.840 -0.304 0.000 0.783 159 L CB -0.066 41.887 42.059 -0.176 0.000 0.919 159 L HN 0.133 nan 8.230 nan 0.000 0.442 160 V N -4.601 115.185 119.914 -0.213 0.000 3.577 160 V HA 0.262 4.383 4.120 0.003 0.000 0.294 160 V C 1.409 177.344 176.094 -0.265 0.000 1.317 160 V CA 0.981 63.124 62.300 -0.261 0.000 1.169 160 V CB -0.541 31.223 31.823 -0.098 0.000 1.011 160 V HN 0.327 nan 8.190 nan 0.000 0.426 161 K N 0.520 120.779 120.400 -0.235 0.000 2.509 161 K HA 0.267 4.589 4.320 0.003 0.000 0.205 161 K C 1.669 178.154 176.600 -0.191 0.000 1.336 161 K CA 0.688 56.869 56.287 -0.178 0.000 0.912 161 K CB -0.940 31.481 32.500 -0.132 0.000 1.568 161 K HN 0.389 nan 8.250 nan 0.000 0.475 162 N N 0.978 119.537 118.700 -0.235 0.000 2.188 162 N HA 0.032 4.774 4.740 0.003 0.000 0.184 162 N C 0.326 175.641 175.510 -0.325 0.000 1.018 162 N CA 0.726 53.624 53.050 -0.254 0.000 0.858 162 N CB -0.045 38.273 38.487 -0.282 0.000 0.989 162 N HN 0.412 nan 8.380 nan 0.000 0.426 163 L N 0.370 121.309 121.223 -0.474 0.000 2.270 163 L HA 0.449 4.790 4.340 0.003 0.000 0.286 163 L C 1.224 178.003 176.870 -0.151 0.000 1.059 163 L CA -0.338 54.152 54.840 -0.583 0.000 0.839 163 L CB 0.827 42.049 42.059 -1.394 0.000 1.221 163 L HN 0.269 nan 8.230 nan 0.000 0.431 164 G N 2.527 111.433 108.800 0.177 0.000 2.083 164 G HA2 -0.179 3.783 3.960 0.003 0.000 0.199 164 G HA3 -0.179 3.783 3.960 0.003 0.000 0.199 164 G C 0.089 175.111 174.900 0.204 0.000 2.367 164 G CA 0.048 45.359 45.100 0.352 0.000 1.555 164 G HN 0.556 nan 8.290 nan 0.000 0.490 198 G N 0.743 109.589 108.800 0.078 0.000 2.378 198 G HA2 0.082 4.044 3.960 0.003 0.000 0.198 198 G HA3 0.082 4.044 3.960 0.003 0.000 0.198 198 G C -0.324 174.697 174.900 0.201 0.000 1.223 198 G CA 0.540 45.717 45.100 0.129 0.000 1.088 198 G HN 2.132 nan 8.290 nan 0.000 0.530 199 F N -0.287 119.743 119.950 0.134 0.000 2.335 199 F HA 0.310 4.838 4.527 0.003 0.000 0.296 199 F C 2.429 178.376 175.800 0.245 0.000 1.091 199 F CA 1.544 59.625 58.000 0.135 0.000 1.399 199 F CB -0.108 38.949 39.000 0.095 0.000 1.067 199 F HN 0.360 nan 8.300 nan 0.000 0.520 200 Y N 0.130 120.514 120.300 0.140 0.000 2.651 200 Y HA -0.158 4.394 4.550 0.003 0.000 0.293 200 Y C 2.839 178.836 175.900 0.162 0.000 1.151 200 Y CA 1.117 59.372 58.100 0.259 0.000 1.362 200 Y CB -1.210 37.402 38.460 0.253 0.000 0.973 200 Y HN 0.184 nan 8.280 nan 0.000 0.561 201 S N -0.224 115.557 115.700 0.134 0.000 2.419 201 S HA -0.190 4.282 4.470 0.003 0.000 0.233 201 S C 2.343 176.917 174.600 -0.044 0.000 1.016 201 S CA 0.903 59.140 58.200 0.061 0.000 0.974 201 S CB -0.322 62.902 63.200 0.040 0.000 0.786 201 S HN 0.453 nan 8.310 nan 0.000 0.492 202 A N 0.229 122.884 122.820 -0.275 0.000 2.019 202 A HA 0.088 4.410 4.320 0.003 0.000 0.219 202 A C 1.538 178.825 177.584 -0.495 0.000 1.164 202 A CA 1.054 52.819 52.037 -0.452 0.000 0.644 202 A CB -0.861 17.670 19.000 -0.781 0.000 0.805 202 A HN 0.637 nan 8.150 nan 0.000 0.449 203 F N -0.287 119.560 119.950 -0.172 0.000 2.802 203 F HA 0.136 4.665 4.527 0.003 0.000 0.300 203 F C 1.592 177.339 175.800 -0.088 0.000 1.168 203 F CA 0.283 58.203 58.000 -0.133 0.000 1.433 203 F CB -0.345 38.580 39.000 -0.126 0.000 1.115 203 F HN 0.109 nan 8.300 nan 0.000 0.582 204 L N -0.514 120.726 121.223 0.028 0.000 2.313 204 L HA -0.049 4.293 4.340 0.003 0.000 0.214 204 L C 1.926 178.762 176.870 -0.057 0.000 1.119 204 L CA 0.702 55.554 54.840 0.020 0.000 0.809 204 L CB -0.221 41.859 42.059 0.035 0.000 0.933 204 L HN 0.197 nan 8.230 nan 0.000 0.449 205 V N -5.233 114.558 119.914 -0.204 0.000 3.502 205 V HA 0.555 4.677 4.120 0.003 0.000 0.288 205 V C 0.465 176.425 176.094 -0.224 0.000 1.461 205 V CA -0.003 62.132 62.300 -0.275 0.000 1.029 205 V CB 0.227 31.623 31.823 -0.712 0.000 0.843 205 V HN 0.083 nan 8.190 nan 0.000 0.438 206 A N 0.077 122.776 122.820 -0.200 0.000 2.398 206 A HA 0.718 5.039 4.320 0.003 0.000 0.301 206 A C 0.046 177.616 177.584 -0.024 0.000 1.041 206 A CA -0.144 51.803 52.037 -0.151 0.000 0.711 206 A CB 1.551 20.402 19.000 -0.247 0.000 1.240 206 A HN 0.085 nan 8.150 nan 0.000 0.420 207 D N 0.698 121.105 120.400 0.011 0.000 2.162 207 D HA 0.021 4.663 4.640 0.003 0.000 0.203 207 D C 0.476 176.852 176.300 0.127 0.000 0.967 207 D CA 1.406 55.452 54.000 0.077 0.000 0.840 207 D CB 0.343 41.159 40.800 0.027 0.000 0.972 207 D HN 0.567 nan 8.370 nan 0.000 0.482 208 K N 0.634 121.064 120.400 0.050 0.000 2.345 208 K HA 0.466 4.788 4.320 0.003 0.000 0.255 208 K C -1.555 175.035 176.600 -0.017 0.000 0.934 208 K CA -0.475 55.842 56.287 0.050 0.000 0.801 208 K CB 2.232 34.735 32.500 0.005 0.000 1.137 208 K HN -0.299 nan 8.250 nan 0.000 0.424 209 V N 6.273 126.189 119.914 0.003 0.000 2.487 209 V HA 0.458 4.580 4.120 0.003 0.000 0.298 209 V C -0.337 175.814 176.094 0.096 0.000 1.028 209 V CA -0.814 61.454 62.300 -0.052 0.000 0.860 209 V CB 1.419 33.052 31.823 -0.317 0.000 0.991 209 V HN 0.696 nan 8.190 nan 0.000 0.427 210 I N 3.943 124.590 120.570 0.128 0.000 2.509 210 I HA 0.905 5.077 4.170 0.003 0.000 0.293 210 I C -0.518 175.778 176.117 0.297 0.000 1.020 210 I CA -1.092 60.331 61.300 0.204 0.000 1.088 210 I CB 2.140 40.205 38.000 0.108 0.000 1.267 210 I HN 0.403 nan 8.210 nan 0.000 0.430 211 V N 1.282 121.446 119.914 0.417 0.000 2.487 211 V HA 0.615 4.736 4.120 0.003 0.000 0.298 211 V C -0.105 176.129 176.094 0.233 0.000 1.028 211 V CA -0.139 62.345 62.300 0.307 0.000 0.860 211 V CB 1.223 33.204 31.823 0.264 0.000 0.991 211 V HN 0.840 nan 8.190 nan 0.000 0.427 212 T N 4.277 118.929 114.554 0.162 0.000 2.799 212 T HA 0.687 5.038 4.350 0.003 0.000 0.286 212 T C -0.106 174.649 174.700 0.093 0.000 0.973 212 T CA -0.155 62.019 62.100 0.123 0.000 1.035 212 T CB 1.329 70.251 68.868 0.091 0.000 0.932 212 T HN 1.056 nan 8.240 nan 0.000 0.469 213 S N 1.694 117.448 115.700 0.091 0.000 2.556 213 S HA 0.711 5.182 4.470 0.003 0.000 0.271 213 S C -1.854 172.795 174.600 0.080 0.000 1.135 213 S CA -0.859 57.381 58.200 0.068 0.000 0.858 213 S CB 1.453 64.681 63.200 0.047 0.000 1.114 213 S HN 0.590 nan 8.310 nan 0.000 0.468 214 K N 2.486 122.924 120.400 0.064 0.000 2.615 214 K HA 0.411 4.733 4.320 0.003 0.000 0.249 214 K C -1.641 175.007 176.600 0.080 0.000 0.977 214 K CA -0.513 55.817 56.287 0.072 0.000 0.833 214 K CB 0.810 33.327 32.500 0.029 0.000 1.208 214 K HN 0.781 nan 8.250 nan 0.000 0.443 215 H N 2.981 122.061 119.070 0.017 0.000 2.567 215 H HA 0.364 4.921 4.556 0.003 0.000 0.345 215 H C 0.032 175.363 175.328 0.006 0.000 1.169 215 H CA -0.352 55.697 56.048 0.002 0.000 1.227 215 H CB 1.700 31.462 29.762 0.001 0.000 1.607 215 H HN 0.653 nan 8.280 nan 0.000 0.534 216 N N 1.574 120.139 118.700 -0.226 0.000 2.309 216 N HA -0.140 4.601 4.740 0.003 0.000 0.182 216 N C 0.723 176.305 175.510 0.120 0.000 1.018 216 N CA 0.856 53.875 53.050 -0.051 0.000 0.876 216 N CB 0.053 38.460 38.487 -0.134 0.000 0.972 216 N HN 0.536 nan 8.380 nan 0.000 0.434 217 N N -0.087 118.821 118.700 0.346 0.000 2.422 217 N HA -0.003 4.739 4.740 0.003 0.000 0.181 217 N C -0.112 175.478 175.510 0.134 0.000 1.080 217 N CA 0.410 53.582 53.050 0.204 0.000 0.893 217 N CB 0.317 38.907 38.487 0.172 0.000 0.973 217 N HN 0.243 nan 8.380 nan 0.000 0.456 218 D N -1.144 119.355 120.400 0.165 0.000 2.553 218 D HA 0.326 4.968 4.640 0.003 0.000 0.249 218 D C -0.296 176.082 176.300 0.130 0.000 1.062 218 D CA -0.486 53.597 54.000 0.137 0.000 1.085 218 D CB 1.325 42.204 40.800 0.131 0.000 1.350 218 D HN 0.065 nan 8.370 nan 0.000 0.575 219 T N -1.970 112.664 114.554 0.133 0.000 2.912 219 T HA 0.391 4.742 4.350 0.003 0.000 0.280 219 T C 0.152 174.813 174.700 -0.064 0.000 0.989 219 T CA -0.795 61.306 62.100 0.001 0.000 0.995 219 T CB 0.858 69.676 68.868 -0.083 0.000 1.077 219 T HN 0.329 nan 8.240 nan 0.000 0.531 220 Q N 0.690 120.409 119.800 -0.135 0.000 2.297 220 Q HA 0.226 4.568 4.340 0.003 0.000 0.267 220 Q C -1.142 174.697 176.000 -0.269 0.000 1.006 220 Q CA -0.043 55.701 55.803 -0.099 0.000 0.896 220 Q CB 0.126 28.833 28.738 -0.051 0.000 1.186 220 Q HN 0.786 nan 8.270 nan 0.000 0.392 221 H N 2.325 121.426 119.070 0.052 0.000 2.797 221 H HA 0.523 5.081 4.556 0.003 0.000 0.372 221 H C -0.855 174.530 175.328 0.096 0.000 1.168 221 H CA -0.691 55.399 56.048 0.070 0.000 1.163 221 H CB 1.511 31.319 29.762 0.075 0.000 1.778 221 H HN 0.532 nan 8.280 nan 0.000 0.551 222 I N 1.451 122.166 120.570 0.240 0.000 2.389 222 I HA 0.133 4.304 4.170 0.003 0.000 0.288 222 I C -1.083 175.195 176.117 0.269 0.000 0.999 222 I CA -0.555 60.873 61.300 0.212 0.000 1.129 222 I CB 1.325 39.405 38.000 0.133 0.000 1.288 222 I HN 0.461 nan 8.210 nan 0.000 0.444 223 W N 8.024 129.381 121.300 0.095 0.000 2.429 223 W HA 0.478 5.139 4.660 0.002 0.000 0.314 223 W C -0.473 176.115 176.519 0.115 0.000 1.062 223 W CA -0.301 57.103 57.345 0.098 0.000 1.211 223 W CB 1.071 30.571 29.460 0.066 0.000 1.305 223 W HN 0.515 nan 8.180 nan 0.000 0.476 224 E N 4.411 124.334 120.200 -0.463 0.000 2.248 224 E HA 0.733 5.085 4.350 0.003 0.000 0.267 224 E C -1.219 174.919 176.600 -0.770 0.000 0.877 224 E CA -1.028 55.080 56.400 -0.487 0.000 0.759 224 E CB 2.172 31.758 29.700 -0.189 0.000 1.182 224 E HN 0.227 nan 8.360 nan 0.000 0.418 225 S N 1.001 116.332 115.700 -0.616 0.000 2.567 225 S HA 0.249 4.720 4.470 0.003 0.000 0.270 225 S C -1.160 173.398 174.600 -0.070 0.000 1.152 225 S CA -0.146 57.816 58.200 -0.397 0.000 0.835 225 S CB 1.295 64.165 63.200 -0.550 0.000 1.115 225 S HN 0.750 nan 8.310 nan 0.000 0.459 226 D N 0.721 121.083 120.400 -0.063 0.000 2.482 226 D HA 0.235 4.877 4.640 0.003 0.000 0.251 226 D C 1.147 177.236 176.300 -0.352 0.000 1.073 226 D CA 1.149 55.133 54.000 -0.027 0.000 0.892 226 D CB 0.102 40.871 40.800 -0.052 0.000 1.202 226 D HN 0.836 nan 8.370 nan 0.000 0.496 227 S N -1.928 113.554 115.700 -0.363 0.000 2.455 227 S HA -0.067 4.405 4.470 0.003 0.000 0.110 227 S C 0.711 175.228 174.600 -0.138 0.000 0.603 227 S CA -0.078 57.840 58.200 -0.470 0.000 1.510 227 S CB -0.674 62.264 63.200 -0.436 0.000 0.940 227 S HN 0.072 nan 8.310 nan 0.000 0.267 228 N N 3.127 121.777 118.700 -0.083 0.000 2.024 228 N HA 0.232 4.974 4.740 0.003 0.000 0.207 228 N C 0.399 175.929 175.510 0.033 0.000 1.076 228 N CA 1.013 54.055 53.050 -0.014 0.000 1.022 228 N CB -0.680 37.782 38.487 -0.043 0.000 1.266 228 N HN 0.899 nan 8.380 nan 0.000 0.508 229 E N 0.417 120.589 120.200 -0.046 0.000 2.390 229 E HA 0.270 4.622 4.350 0.003 0.000 0.261 229 E C -0.854 175.692 176.600 -0.090 0.000 1.076 229 E CA -0.327 55.988 56.400 -0.142 0.000 0.905 229 E CB 0.231 29.808 29.700 -0.205 0.000 0.984 229 E HN 0.366 nan 8.360 nan 0.000 0.427 230 F N -0.562 119.361 119.950 -0.045 0.000 2.579 230 F HA 0.714 5.242 4.527 0.003 0.000 0.324 230 F C -0.730 175.016 175.800 -0.089 0.000 1.058 230 F CA -1.151 56.781 58.000 -0.113 0.000 0.944 230 F CB 1.861 40.901 39.000 0.068 0.000 1.245 230 F HN 0.504 nan 8.300 nan 0.000 0.477 231 S N 0.691 116.427 115.700 0.059 0.000 2.566 231 S HA 0.719 5.191 4.470 0.003 0.000 0.273 231 S C -1.794 172.864 174.600 0.097 0.000 1.157 231 S CA -0.751 57.487 58.200 0.063 0.000 0.938 231 S CB 1.161 64.344 63.200 -0.029 0.000 1.087 231 S HN 0.762 nan 8.310 nan 0.000 0.474 232 V N 4.460 124.478 119.914 0.174 0.000 2.350 232 V HA 0.529 4.651 4.120 0.003 0.000 0.285 232 V C 0.010 176.206 176.094 0.170 0.000 1.014 232 V CA -0.652 61.766 62.300 0.196 0.000 0.831 232 V CB 0.768 32.711 31.823 0.199 0.000 1.000 232 V HN 0.944 nan 8.190 nan 0.000 0.433 233 I N 1.838 122.517 120.570 0.180 0.000 2.562 233 I HA 0.939 5.111 4.170 0.003 0.000 0.301 233 I C 0.393 176.638 176.117 0.214 0.000 1.003 233 I CA -0.946 60.453 61.300 0.166 0.000 1.127 233 I CB 1.984 40.038 38.000 0.090 0.000 1.304 233 I HN 0.538 nan 8.210 nan 0.000 0.446 234 A N 3.687 126.600 122.820 0.155 0.000 2.451 234 A HA 0.071 4.392 4.320 0.003 0.000 0.266 234 A C 0.130 177.689 177.584 -0.041 0.000 1.119 234 A CA -0.148 51.867 52.037 -0.036 0.000 0.786 234 A CB -0.131 18.830 19.000 -0.065 0.000 1.061 234 A HN 0.834 nan 8.150 nan 0.000 0.503 235 D N 3.630 123.984 120.400 -0.077 0.000 2.520 235 D HA 0.036 4.678 4.640 0.003 0.000 0.243 235 D C -1.248 175.031 176.300 -0.035 0.000 1.160 235 D CA -0.974 53.007 54.000 -0.031 0.000 0.877 235 D CB 0.985 41.766 40.800 -0.031 0.000 1.150 235 D HN 0.254 nan 8.370 nan 0.000 0.494 236 P HA -0.068 nan 4.420 nan 0.000 0.217 236 P C 1.240 178.529 177.300 -0.019 0.000 1.150 236 P CA 0.954 64.045 63.100 -0.015 0.000 0.832 236 P CB 0.300 31.997 31.700 -0.006 0.000 0.787 237 R N -0.942 119.546 120.500 -0.019 0.000 2.075 237 R HA 0.192 4.534 4.340 0.003 0.000 0.232 237 R C 1.417 177.701 176.300 -0.026 0.000 1.126 237 R CA 1.204 57.291 56.100 -0.022 0.000 0.963 237 R CB -0.764 29.523 30.300 -0.022 0.000 0.858 237 R HN 0.274 nan 8.270 nan 0.000 0.435 238 G N 0.463 109.243 108.800 -0.034 0.000 2.384 238 G HA2 -0.250 3.712 3.960 0.003 0.000 0.204 238 G HA3 -0.250 3.712 3.960 0.003 0.000 0.204 238 G C -1.244 173.633 174.900 -0.038 0.000 1.237 238 G CA -0.338 44.737 45.100 -0.041 0.000 1.060 238 G HN 0.296 nan 8.290 nan 0.000 0.514 239 N N 0.827 119.508 118.700 -0.033 0.000 2.466 239 N HA 0.431 5.173 4.740 0.003 0.000 0.263 239 N C 1.349 176.847 175.510 -0.021 0.000 1.178 239 N CA 1.176 54.211 53.050 -0.025 0.000 0.983 239 N CB 0.526 39.001 38.487 -0.020 0.000 1.331 239 N HN 0.515 nan 8.380 nan 0.000 0.500 240 T N 2.381 116.923 114.554 -0.021 0.000 2.866 240 T HA 0.039 4.390 4.350 0.003 0.000 0.250 240 T C 1.340 176.027 174.700 -0.022 0.000 1.033 240 T CA 0.793 62.879 62.100 -0.023 0.000 1.145 240 T CB 0.062 68.913 68.868 -0.027 0.000 0.866 240 T HN 0.314 nan 8.240 nan 0.000 0.434 241 L N 0.687 121.898 121.223 -0.020 0.000 2.554 241 L HA 0.330 4.671 4.340 0.003 0.000 0.226 241 L C 2.119 178.974 176.870 -0.024 0.000 1.137 241 L CA 0.883 55.709 54.840 -0.023 0.000 0.863 241 L CB -0.891 41.155 42.059 -0.021 0.000 0.985 241 L HN 0.493 nan 8.230 nan 0.000 0.451 242 G N -0.283 108.505 108.800 -0.020 0.000 3.639 242 G HA2 -0.375 3.586 3.960 0.003 0.000 0.224 242 G HA3 -0.375 3.586 3.960 0.003 0.000 0.224 242 G C 0.784 175.668 174.900 -0.026 0.000 1.339 242 G CA 0.597 45.684 45.100 -0.021 0.000 0.933 242 G HN 0.393 nan 8.290 nan 0.000 0.568 243 R N -0.288 120.192 120.500 -0.034 0.000 2.663 243 R HA 0.557 4.898 4.340 0.003 0.000 0.267 243 R C 0.238 176.510 176.300 -0.046 0.000 1.038 243 R CA 0.616 56.688 56.100 -0.047 0.000 0.886 243 R CB 1.090 31.348 30.300 -0.070 0.000 1.249 243 R HN 2.163 nan 8.270 nan 0.000 0.463 244 G N 0.630 109.402 108.800 -0.047 0.000 2.447 244 G HA2 -0.079 3.883 3.960 0.003 0.000 0.220 244 G HA3 -0.079 3.883 3.960 0.003 0.000 0.220 244 G C -1.355 173.533 174.900 -0.019 0.000 1.261 244 G CA -0.357 44.715 45.100 -0.045 0.000 1.000 244 G HN 0.648 nan 8.290 nan 0.000 0.515 245 T N 0.009 114.553 114.554 -0.017 0.000 2.916 245 T HA 0.704 5.055 4.350 0.003 0.000 0.305 245 T C -0.770 173.947 174.700 0.028 0.000 1.119 245 T CA -0.044 62.060 62.100 0.007 0.000 1.008 245 T CB 2.057 70.919 68.868 -0.010 0.000 1.129 245 T HN 0.846 nan 8.240 nan 0.000 0.480 246 T N 2.517 117.108 114.554 0.061 0.000 2.815 246 T HA 0.512 4.864 4.350 0.003 0.000 0.289 246 T C -0.363 174.418 174.700 0.134 0.000 1.000 246 T CA -0.455 61.703 62.100 0.096 0.000 0.958 246 T CB 0.252 69.178 68.868 0.098 0.000 0.944 246 T HN 0.318 nan 8.240 nan 0.000 0.442 247 I N 3.634 124.286 120.570 0.137 0.000 2.301 247 I HA 0.239 4.411 4.170 0.003 0.000 0.292 247 I C 0.698 176.887 176.117 0.120 0.000 1.046 247 I CA 0.064 61.454 61.300 0.151 0.000 1.282 247 I CB 0.841 38.931 38.000 0.151 0.000 1.409 247 I HN 0.498 nan 8.210 nan 0.000 0.484 248 T N 7.628 122.249 114.554 0.111 0.000 2.758 248 T HA 0.564 4.915 4.350 0.003 0.000 0.285 248 T C -0.041 174.627 174.700 -0.054 0.000 0.981 248 T CA -0.477 61.629 62.100 0.010 0.000 0.965 248 T CB 0.443 69.361 68.868 0.082 0.000 0.927 248 T HN 0.235 nan 8.240 nan 0.000 0.448 249 L N 3.450 124.598 121.223 -0.125 0.000 2.272 249 L HA 0.462 4.803 4.340 0.003 0.000 0.289 249 L C 0.030 176.818 176.870 -0.137 0.000 1.032 249 L CA -1.125 53.628 54.840 -0.145 0.000 0.810 249 L CB 1.409 43.367 42.059 -0.169 0.000 1.205 249 L HN 0.349 nan 8.230 nan 0.000 0.422 250 V N 4.950 124.800 119.914 -0.108 0.000 2.287 250 V HA 0.036 4.157 4.120 0.003 0.000 0.246 250 V C 0.431 176.476 176.094 -0.081 0.000 1.165 250 V CA -0.361 61.892 62.300 -0.078 0.000 1.088 250 V CB 0.517 32.312 31.823 -0.047 0.000 1.242 250 V HN 0.435 nan 8.190 nan 0.000 0.497 251 L N 6.375 127.547 121.223 -0.084 0.000 2.584 251 L HA 0.107 4.449 4.340 0.003 0.000 0.272 251 L C 1.035 177.876 176.870 -0.049 0.000 1.195 251 L CA 0.450 55.243 54.840 -0.079 0.000 0.920 251 L CB 0.196 42.230 42.059 -0.043 0.000 1.173 251 L HN 0.714 nan 8.230 nan 0.000 0.489 252 K N 3.511 123.881 120.400 -0.050 0.000 2.355 252 K HA 0.050 4.372 4.320 0.003 0.000 0.270 252 K C 0.564 177.153 176.600 -0.018 0.000 1.003 252 K CA -0.150 56.121 56.287 -0.026 0.000 0.957 252 K CB 0.611 33.101 32.500 -0.018 0.000 0.939 252 K HN 0.685 nan 8.250 nan 0.000 0.482 253 E N 1.848 122.040 120.200 -0.014 0.000 2.065 253 E HA -0.244 4.108 4.350 0.003 0.000 0.201 253 E C 1.087 177.678 176.600 -0.015 0.000 1.016 253 E CA 2.021 58.413 56.400 -0.013 0.000 0.818 253 E CB -0.059 29.635 29.700 -0.010 0.000 0.749 253 E HN 0.656 nan 8.360 nan 0.000 0.453 254 E N -0.660 119.534 120.200 -0.009 0.000 2.533 254 E HA -0.011 4.341 4.350 0.003 0.000 0.201 254 E C 0.271 176.866 176.600 -0.008 0.000 1.097 254 E CA 0.652 57.049 56.400 -0.005 0.000 0.887 254 E CB 0.427 30.131 29.700 0.007 0.000 0.855 254 E HN 0.301 nan 8.360 nan 0.000 0.540 255 A N -0.345 122.465 122.820 -0.017 0.000 2.538 255 A HA 0.158 4.480 4.320 0.003 0.000 0.276 255 A C 0.542 178.096 177.584 -0.051 0.000 0.908 255 A CA -0.370 51.654 52.037 -0.021 0.000 1.042 255 A CB 0.246 19.289 19.000 0.072 0.000 1.218 255 A HN 0.024 nan 8.150 nan 0.000 0.517 256 S N 1.630 117.296 115.700 -0.055 0.000 4.087 256 S HA 0.349 4.821 4.470 0.003 0.000 0.213 256 S C 0.300 174.853 174.600 -0.080 0.000 1.415 256 S CA 0.455 58.631 58.200 -0.040 0.000 0.893 256 S CB -0.422 62.765 63.200 -0.022 0.000 1.529 256 S HN 0.569 nan 8.310 nan 0.000 0.457 257 D N 0.425 120.724 120.400 -0.169 0.000 2.480 257 D HA 0.042 4.683 4.640 0.003 0.000 0.276 257 D C 0.485 176.673 176.300 -0.187 0.000 1.294 257 D CA -0.150 53.735 54.000 -0.191 0.000 0.829 257 D CB -0.757 39.897 40.800 -0.243 0.000 1.242 257 D HN 0.522 nan 8.370 nan 0.000 0.513 258 Y N 0.876 121.207 120.300 0.052 0.000 2.561 258 Y HA 0.287 4.839 4.550 0.003 0.000 0.291 258 Y C 1.339 177.301 175.900 0.102 0.000 1.141 258 Y CA 0.305 58.469 58.100 0.106 0.000 1.303 258 Y CB 0.174 38.734 38.460 0.165 0.000 1.015 258 Y HN -0.056 nan 8.280 nan 0.000 0.547 259 L N 1.387 122.714 121.223 0.173 0.000 2.922 259 L HA 0.076 4.418 4.340 0.003 0.000 0.244 259 L C -0.016 176.931 176.870 0.128 0.000 1.324 259 L CA 0.110 55.036 54.840 0.143 0.000 1.172 259 L CB -0.393 41.724 42.059 0.097 0.000 1.545 259 L HN 0.087 nan 8.230 nan 0.000 0.438 260 E N 0.304 120.583 120.200 0.133 0.000 2.195 260 E HA 0.258 4.609 4.350 0.003 0.000 0.271 260 E C 0.417 177.091 176.600 0.123 0.000 0.923 260 E CA -0.728 55.735 56.400 0.105 0.000 0.790 260 E CB 1.383 31.122 29.700 0.066 0.000 1.155 260 E HN 0.157 nan 8.360 nan 0.000 0.402 261 L N 1.132 122.416 121.223 0.102 0.000 2.749 261 L HA 0.241 4.582 4.340 0.003 0.000 0.245 261 L C 0.152 177.054 176.870 0.053 0.000 1.156 261 L CA 0.941 55.831 54.840 0.082 0.000 0.890 261 L CB -0.913 41.164 42.059 0.029 0.000 1.036 261 L HN 0.501 nan 8.230 nan 0.000 0.441 262 D N -5.259 115.180 120.400 0.064 0.000 2.368 262 D HA -0.022 4.620 4.640 0.003 0.000 0.305 262 D C 1.346 177.691 176.300 0.074 0.000 1.143 262 D CA 0.571 54.602 54.000 0.052 0.000 0.847 262 D CB -0.529 40.286 40.800 0.024 0.000 1.357 262 D HN 0.018 nan 8.370 nan 0.000 0.526 263 T N 0.794 115.408 114.554 0.100 0.000 2.851 263 T HA 0.073 4.425 4.350 0.003 0.000 0.262 263 T C 1.796 176.603 174.700 0.180 0.000 1.043 263 T CA 0.622 62.803 62.100 0.134 0.000 1.140 263 T CB 0.086 69.035 68.868 0.135 0.000 0.872 263 T HN 0.075 nan 8.240 nan 0.000 0.446 264 I N 1.488 122.170 120.570 0.186 0.000 2.202 264 I HA -0.076 4.096 4.170 0.003 0.000 0.242 264 I C 2.458 178.648 176.117 0.123 0.000 1.091 264 I CA 1.307 62.709 61.300 0.170 0.000 1.368 264 I CB -1.005 37.104 38.000 0.183 0.000 1.058 264 I HN 0.171 nan 8.210 nan 0.000 0.410 265 K N 1.748 122.215 120.400 0.111 0.000 2.089 265 K HA -0.219 4.102 4.320 0.003 0.000 0.210 265 K C 1.683 178.319 176.600 0.061 0.000 1.048 265 K CA 1.857 58.192 56.287 0.080 0.000 0.926 265 K CB -0.096 32.441 32.500 0.062 0.000 0.714 265 K HN 0.286 nan 8.250 nan 0.000 0.448 266 N N -0.249 118.493 118.700 0.070 0.000 2.333 266 N HA -0.013 4.729 4.740 0.003 0.000 0.178 266 N C 1.606 177.160 175.510 0.075 0.000 1.018 266 N CA 0.910 53.995 53.050 0.058 0.000 0.882 266 N CB -0.068 38.454 38.487 0.059 0.000 0.984 266 N HN 0.162 nan 8.380 nan 0.000 0.434 267 L N 0.188 121.480 121.223 0.115 0.000 2.072 267 L HA -0.051 4.291 4.340 0.003 0.000 0.205 267 L C 2.055 179.008 176.870 0.138 0.000 1.079 267 L CA 0.729 55.667 54.840 0.164 0.000 0.752 267 L CB -0.449 41.689 42.059 0.131 0.000 0.906 267 L HN -0.033 nan 8.230 nan 0.000 0.436 268 V N 0.296 120.252 119.914 0.071 0.000 2.287 268 V HA -0.340 3.782 4.120 0.003 0.000 0.248 268 V C 2.556 178.660 176.094 0.016 0.000 1.053 268 V CA 1.976 64.300 62.300 0.041 0.000 1.027 268 V CB -0.558 31.287 31.823 0.036 0.000 0.646 268 V HN 0.444 nan 8.190 nan 0.000 0.447 269 K N 0.583 120.983 120.400 0.001 0.000 2.147 269 K HA -0.223 4.099 4.320 0.003 0.000 0.205 269 K C 2.121 178.669 176.600 -0.087 0.000 1.049 269 K CA 1.746 58.005 56.287 -0.046 0.000 0.936 269 K CB -0.016 32.462 32.500 -0.036 0.000 0.722 269 K HN 0.691 nan 8.250 nan 0.000 0.446 270 K N -2.005 118.348 120.400 -0.077 0.000 2.308 270 K HA -0.021 4.300 4.320 0.003 0.000 0.197 270 K C 1.335 177.760 176.600 -0.292 0.000 1.049 270 K CA 0.439 56.611 56.287 -0.191 0.000 0.991 270 K CB -0.028 32.341 32.500 -0.217 0.000 0.836 270 K HN 0.020 nan 8.250 nan 0.000 0.500 271 Y N 2.213 122.471 120.300 -0.070 0.000 2.314 271 Y HA 0.034 4.585 4.550 0.003 0.000 0.294 271 Y C 2.275 178.140 175.900 -0.059 0.000 1.139 271 Y CA 1.130 59.193 58.100 -0.061 0.000 1.162 271 Y CB 0.282 38.695 38.460 -0.078 0.000 1.121 271 Y HN 0.161 nan 8.280 nan 0.000 0.529 272 S N 0.674 116.422 115.700 0.079 0.000 2.851 272 S HA -0.002 4.470 4.470 0.003 0.000 0.227 272 S C 0.300 174.862 174.600 -0.062 0.000 0.958 272 S CA -0.318 57.898 58.200 0.027 0.000 0.990 272 S CB -0.625 62.580 63.200 0.009 0.000 0.790 272 S HN 0.177 nan 8.310 nan 0.000 0.509 273 Q N 0.486 120.179 119.800 -0.179 0.000 2.361 273 Q HA 0.195 4.537 4.340 0.003 0.000 0.276 273 Q C 0.088 175.846 176.000 -0.403 0.000 1.022 273 Q CA 0.288 55.792 55.803 -0.498 0.000 0.898 273 Q CB -0.049 28.196 28.738 -0.822 0.000 1.246 273 Q HN 0.554 nan 8.270 nan 0.000 0.410 274 F N -1.761 118.183 119.950 -0.011 0.000 2.544 274 F HA -0.235 4.294 4.527 0.003 0.000 0.389 274 F C 0.320 176.155 175.800 0.058 0.000 0.588 274 F CA -0.153 57.862 58.000 0.025 0.000 1.461 274 F CB -1.421 37.710 39.000 0.218 0.000 1.995 274 F HN 0.426 nan 8.300 nan 0.000 0.282 275 I N 2.545 123.198 120.570 0.138 0.000 2.379 275 I HA 0.098 4.269 4.170 0.003 0.000 0.290 275 I C 0.885 177.044 176.117 0.071 0.000 1.063 275 I CA 0.207 61.595 61.300 0.148 0.000 1.351 275 I CB 0.585 38.656 38.000 0.119 0.000 1.410 275 I HN 0.087 nan 8.210 nan 0.000 0.505 276 N N 6.906 125.646 118.700 0.068 0.000 2.466 276 N HA 0.193 4.935 4.740 0.003 0.000 0.251 276 N C -0.856 174.370 175.510 -0.474 0.000 1.164 276 N CA 0.234 53.173 53.050 -0.185 0.000 0.888 276 N CB -0.094 38.272 38.487 -0.202 0.000 1.177 276 N HN 0.320 nan 8.380 nan 0.000 0.498 277 F N 0.459 120.393 119.950 -0.027 0.000 2.578 277 F HA 0.392 4.921 4.527 0.003 0.000 0.311 277 F C -2.102 173.638 175.800 -0.100 0.000 1.094 277 F CA -2.392 55.585 58.000 -0.039 0.000 0.923 277 F CB 2.263 41.254 39.000 -0.016 0.000 1.230 277 F HN -0.155 nan 8.300 nan 0.000 0.450 278 P HA 0.195 nan 4.420 nan 0.000 0.266 278 P C -0.656 176.459 177.300 -0.307 0.000 1.215 278 P CA 0.438 63.404 63.100 -0.224 0.000 0.763 278 P CB 0.610 32.178 31.700 -0.220 0.000 0.806 279 I N 4.985 125.331 120.570 -0.374 0.000 2.354 279 I HA 0.331 4.502 4.170 0.003 0.000 0.292 279 I C -0.204 175.729 176.117 -0.307 0.000 0.989 279 I CA -0.824 60.342 61.300 -0.224 0.000 1.188 279 I CB 0.796 38.748 38.000 -0.081 0.000 1.342 279 I HN 0.277 nan 8.210 nan 0.000 0.457 280 Y N 4.939 125.287 120.300 0.081 0.000 2.462 280 Y HA 0.579 5.131 4.550 0.003 0.000 0.346 280 Y C -0.028 176.122 175.900 0.417 0.000 0.976 280 Y CA -1.145 57.084 58.100 0.214 0.000 1.044 280 Y CB 2.091 40.653 38.460 0.170 0.000 1.230 280 Y HN 0.328 nan 8.280 nan 0.000 0.455 281 V N -0.769 119.511 119.914 0.610 0.000 2.667 281 V HA 0.400 4.521 4.120 0.003 0.000 0.308 281 V C -0.587 175.852 176.094 0.576 0.000 1.048 281 V CA -1.094 61.554 62.300 0.580 0.000 0.928 281 V CB 2.017 34.040 31.823 0.334 0.000 1.004 281 V HN 1.002 nan 8.190 nan 0.000 0.444 282 W N 4.341 125.744 121.300 0.172 0.000 2.429 282 W HA 0.336 4.998 4.660 0.003 0.000 0.431 282 W C -0.042 176.502 176.519 0.041 0.000 1.038 282 W CA -0.005 57.211 57.345 -0.215 0.000 1.635 282 W CB 0.583 29.853 29.460 -0.317 0.000 1.721 282 W HN 0.812 nan 8.180 nan 0.000 0.366 283 S N 2.169 117.785 115.700 -0.141 0.000 2.632 283 S HA 0.463 4.934 4.470 0.003 0.000 0.267 283 S C -0.204 174.049 174.600 -0.580 0.000 1.193 283 S CA -0.480 57.585 58.200 -0.226 0.000 1.003 283 S CB 1.460 64.573 63.200 -0.144 0.000 1.073 283 S HN 0.324 nan 8.310 nan 0.000 0.553 284 S N 0.703 116.021 115.700 -0.637 0.000 2.536 284 S HA 0.699 5.171 4.470 0.003 0.000 0.287 284 S C -0.773 173.491 174.600 -0.560 0.000 1.101 284 S CA -1.033 56.591 58.200 -0.961 0.000 0.950 284 S CB 1.606 64.107 63.200 -1.166 0.000 1.056 284 S HN 0.736 nan 8.310 nan 0.000 0.481 331 W N 3.046 124.132 121.300 -0.357 0.000 2.554 331 W HA 0.799 5.461 4.660 0.003 0.000 0.324 331 W C -0.425 175.546 176.519 -0.912 0.000 1.018 331 W CA -0.205 56.718 57.345 -0.702 0.000 1.243 331 W CB 1.819 30.774 29.460 -0.841 0.000 1.345 331 W HN 0.623 nan 8.180 nan 0.000 0.441 332 D N 1.205 121.199 120.400 -0.677 0.000 2.753 332 D HA 0.330 4.971 4.640 0.003 0.000 0.224 332 D C -1.352 174.721 176.300 -0.378 0.000 1.213 332 D CA -0.900 52.785 54.000 -0.524 0.000 0.833 332 D CB 1.347 42.026 40.800 -0.201 0.000 1.607 332 D HN 0.197 nan 8.370 nan 0.000 0.463 333 W N 1.757 123.019 121.300 -0.063 0.000 2.295 333 W HA 0.211 4.872 4.660 0.003 0.000 0.335 333 W C 0.864 177.434 176.519 0.086 0.000 1.351 333 W CA -0.092 57.290 57.345 0.062 0.000 1.273 333 W CB 0.304 29.747 29.460 -0.028 0.000 1.214 333 W HN 0.233 nan 8.180 nan 0.000 0.563 334 E N 3.508 123.950 120.200 0.403 0.000 2.176 334 E HA 0.291 4.643 4.350 0.003 0.000 0.267 334 E C -1.104 175.721 176.600 0.376 0.000 0.893 334 E CA -1.232 55.341 56.400 0.289 0.000 0.761 334 E CB 1.071 30.848 29.700 0.129 0.000 1.133 334 E HN 0.396 nan 8.360 nan 0.000 0.409 335 L N 4.859 126.272 121.223 0.318 0.000 2.490 335 L HA 0.003 4.345 4.340 0.003 0.000 0.274 335 L C 0.466 177.344 176.870 0.013 0.000 1.201 335 L CA 0.560 55.459 54.840 0.099 0.000 0.869 335 L CB 0.624 42.720 42.059 0.061 0.000 1.123 335 L HN 0.843 nan 8.230 nan 0.000 0.484 336 M N 2.241 121.795 119.600 -0.077 0.000 2.800 336 M HA 0.178 4.660 4.480 0.003 0.000 0.257 336 M C 0.266 176.515 176.300 -0.085 0.000 1.309 336 M CA 0.576 55.848 55.300 -0.048 0.000 1.202 336 M CB -0.967 31.618 32.600 -0.023 0.000 1.273 336 M HN 0.776 nan 8.290 nan 0.000 0.528 337 N N 0.445 119.067 118.700 -0.131 0.000 2.592 337 N HA 0.279 5.020 4.740 0.003 0.000 0.292 337 N C -1.368 174.055 175.510 -0.144 0.000 1.260 337 N CA -0.368 52.599 53.050 -0.137 0.000 0.910 337 N CB 1.159 39.563 38.487 -0.140 0.000 1.257 337 N HN -0.180 nan 8.380 nan 0.000 0.569 338 D N -0.256 120.052 120.400 -0.154 0.000 2.344 338 D HA 0.286 4.927 4.640 0.003 0.000 0.239 338 D C 0.546 176.740 176.300 -0.177 0.000 1.064 338 D CA -0.631 53.277 54.000 -0.154 0.000 0.829 338 D CB 0.981 41.689 40.800 -0.154 0.000 1.129 338 D HN 0.598 nan 8.370 nan 0.000 0.506 339 I N 2.859 123.326 120.570 -0.172 0.000 2.676 339 I HA -0.032 4.139 4.170 0.003 0.000 0.259 339 I C 0.933 176.902 176.117 -0.246 0.000 1.194 339 I CA 0.287 61.470 61.300 -0.195 0.000 1.473 339 I CB 0.027 37.925 38.000 -0.171 0.000 1.096 339 I HN 0.254 nan 8.210 nan 0.000 0.443 340 K N 3.132 123.389 120.400 -0.239 0.000 2.419 340 K HA 0.085 4.407 4.320 0.003 0.000 0.282 340 K C -2.203 174.147 176.600 -0.417 0.000 1.056 340 K CA -1.441 54.672 56.287 -0.290 0.000 1.035 340 K CB 0.389 32.754 32.500 -0.225 0.000 0.921 340 K HN 0.003 nan 8.250 nan 0.000 0.472 341 P HA -0.043 nan 4.420 nan 0.000 0.269 341 P C 0.747 177.475 177.300 -0.954 0.000 1.209 341 P CA -0.089 62.357 63.100 -1.090 0.000 0.776 341 P CB 0.598 31.120 31.700 -1.963 0.000 0.876 342 I N 2.069 122.115 120.570 -0.873 0.000 2.264 342 I HA -0.225 3.946 4.170 0.003 0.000 0.248 342 I C 1.305 177.100 176.117 -0.536 0.000 1.111 342 I CA 1.403 62.334 61.300 -0.615 0.000 1.382 342 I CB -0.142 37.480 38.000 -0.630 0.000 1.060 342 I HN 0.491 nan 8.210 nan 0.000 0.418 343 W N 0.532 121.578 121.300 -0.423 0.000 2.699 343 W HA -0.007 4.655 4.660 0.003 0.000 0.249 343 W C 1.816 178.326 176.519 -0.016 0.000 1.280 343 W CA 0.031 57.236 57.345 -0.233 0.000 1.345 343 W CB -0.823 28.520 29.460 -0.195 0.000 1.128 343 W HN 0.060 nan 8.180 nan 0.000 0.642 344 Q N 1.239 120.862 119.800 -0.295 0.000 2.354 344 Q HA 0.132 4.474 4.340 0.003 0.000 0.203 344 Q C 0.602 176.558 176.000 -0.074 0.000 0.933 344 Q CA 0.633 56.346 55.803 -0.150 0.000 0.901 344 Q CB -0.173 28.394 28.738 -0.285 0.000 1.007 344 Q HN 0.408 nan 8.270 nan 0.000 0.495 345 R N 1.642 122.085 120.500 -0.094 0.000 2.594 345 R HA 0.182 4.523 4.340 0.003 0.000 0.272 345 R C -2.258 174.100 176.300 0.098 0.000 1.074 345 R CA -1.605 54.472 56.100 -0.039 0.000 1.105 345 R CB -0.190 30.048 30.300 -0.103 0.000 1.008 345 R HN -0.070 nan 8.270 nan 0.000 0.472 346 P HA 0.005 nan 4.420 nan 0.000 0.268 346 P C 0.064 177.457 177.300 0.155 0.000 1.204 346 P CA 0.274 63.418 63.100 0.073 0.000 0.768 346 P CB 0.898 32.616 31.700 0.030 0.000 0.842 347 S N 2.582 118.371 115.700 0.148 0.000 2.380 347 S HA -0.320 4.152 4.470 0.003 0.000 0.229 347 S C 2.275 177.031 174.600 0.261 0.000 1.050 347 S CA 2.453 60.821 58.200 0.280 0.000 1.100 347 S CB -1.091 62.172 63.200 0.105 0.000 0.984 347 S HN 0.680 nan 8.310 nan 0.000 0.434 348 K N 1.308 121.796 120.400 0.145 0.000 2.074 348 K HA -0.199 4.123 4.320 0.003 0.000 0.209 348 K C 1.765 178.433 176.600 0.114 0.000 1.048 348 K CA 2.058 58.416 56.287 0.119 0.000 0.926 348 K CB -1.160 31.381 32.500 0.069 0.000 0.713 348 K HN 0.704 nan 8.250 nan 0.000 0.444 349 E N -0.075 120.178 120.200 0.088 0.000 2.152 349 E HA 0.006 4.358 4.350 0.003 0.000 0.192 349 E C 0.303 176.923 176.600 0.033 0.000 0.983 349 E CA 0.447 56.876 56.400 0.048 0.000 0.818 349 E CB -0.051 29.660 29.700 0.017 0.000 0.758 349 E HN 0.371 nan 8.360 nan 0.000 0.467 350 V N 3.520 123.459 119.914 0.042 0.000 2.521 350 V HA -0.033 4.088 4.120 0.003 0.000 0.286 350 V C 0.580 176.673 176.094 -0.002 0.000 1.034 350 V CA 0.080 62.318 62.300 -0.102 0.000 1.045 350 V CB 0.614 32.204 31.823 -0.388 0.000 0.974 350 V HN 0.099 nan 8.190 nan 0.000 0.480 351 E N 3.024 123.198 120.200 -0.043 0.000 2.390 351 E HA 0.004 4.356 4.350 0.003 0.000 0.261 351 E C 0.760 177.460 176.600 0.168 0.000 1.076 351 E CA -0.078 56.362 56.400 0.067 0.000 0.905 351 E CB 0.911 30.631 29.700 0.032 0.000 0.984 351 E HN 0.774 nan 8.360 nan 0.000 0.427 352 D N 1.317 121.873 120.400 0.260 0.000 2.117 352 D HA -0.172 4.470 4.640 0.003 0.000 0.197 352 D C 0.863 177.312 176.300 0.248 0.000 0.987 352 D CA 1.307 55.518 54.000 0.351 0.000 0.829 352 D CB 0.259 41.229 40.800 0.283 0.000 0.961 352 D HN 0.301 nan 8.370 nan 0.000 0.460 353 D N 0.274 120.771 120.400 0.163 0.000 2.117 353 D HA -0.140 4.501 4.640 0.003 0.000 0.197 353 D C 1.937 178.321 176.300 0.140 0.000 0.987 353 D CA 0.770 54.849 54.000 0.131 0.000 0.829 353 D CB -0.301 40.553 40.800 0.090 0.000 0.961 353 D HN 0.484 nan 8.370 nan 0.000 0.460 354 E N -0.453 119.808 120.200 0.102 0.000 2.077 354 E HA -0.186 4.166 4.350 0.003 0.000 0.193 354 E C 2.061 178.724 176.600 0.105 0.000 0.989 354 E CA 0.754 57.223 56.400 0.115 0.000 0.800 354 E CB -0.139 29.541 29.700 -0.032 0.000 0.746 354 E HN 0.390 nan 8.360 nan 0.000 0.452 355 Y N 1.148 121.463 120.300 0.024 0.000 2.145 355 Y HA -0.174 4.378 4.550 0.003 0.000 0.286 355 Y C 2.250 178.186 175.900 0.061 0.000 1.145 355 Y CA 1.259 59.313 58.100 -0.077 0.000 1.148 355 Y CB -0.126 37.923 38.460 -0.685 0.000 0.981 355 Y HN -0.097 nan 8.280 nan 0.000 0.507 356 K N -0.320 120.195 120.400 0.193 0.000 2.057 356 K HA -0.143 4.179 4.320 0.003 0.000 0.207 356 K C 2.351 179.043 176.600 0.153 0.000 1.049 356 K CA 1.225 57.615 56.287 0.171 0.000 0.931 356 K CB -0.402 32.191 32.500 0.156 0.000 0.714 356 K HN 0.261 nan 8.250 nan 0.000 0.440 357 A N 0.801 123.730 122.820 0.181 0.000 1.969 357 A HA -0.136 4.185 4.320 0.003 0.000 0.218 357 A C 1.951 179.626 177.584 0.153 0.000 1.169 357 A CA 0.928 53.090 52.037 0.209 0.000 0.635 357 A CB -0.643 18.547 19.000 0.316 0.000 0.810 357 A HN 0.405 nan 8.150 nan 0.000 0.445 358 F N -1.216 118.602 119.950 -0.221 0.000 2.146 358 F HA -0.172 4.357 4.527 0.003 0.000 0.298 358 F C 2.125 177.773 175.800 -0.253 0.000 1.096 358 F CA 1.786 59.392 58.000 -0.658 0.000 1.275 358 F CB -0.239 38.355 39.000 -0.677 0.000 1.008 358 F HN 0.359 nan 8.300 nan 0.000 0.480 359 Y N 1.744 121.698 120.300 -0.578 0.000 2.165 359 Y HA -0.233 4.319 4.550 0.003 0.000 0.286 359 Y C 2.181 177.480 175.900 -1.001 0.000 1.155 359 Y CA 2.066 59.459 58.100 -1.178 0.000 1.164 359 Y CB -0.499 37.330 38.460 -1.053 0.000 0.978 359 Y HN -0.004 nan 8.280 nan 0.000 0.513 360 K N -0.179 119.899 120.400 -0.537 0.000 2.148 360 K HA -0.124 4.198 4.320 0.003 0.000 0.204 360 K C 2.358 178.719 176.600 -0.399 0.000 1.050 360 K CA 1.325 57.348 56.287 -0.441 0.000 0.942 360 K CB -0.257 32.166 32.500 -0.129 0.000 0.724 360 K HN 0.471 nan 8.250 nan 0.000 0.446 361 S N 1.333 116.863 115.700 -0.285 0.000 2.382 361 S HA -0.169 4.303 4.470 0.003 0.000 0.228 361 S C 1.807 176.353 174.600 -0.090 0.000 1.027 361 S CA 1.095 59.259 58.200 -0.060 0.000 0.991 361 S CB -0.547 62.771 63.200 0.198 0.000 0.823 361 S HN 0.472 nan 8.310 nan 0.000 0.469 362 F N 1.625 121.378 119.950 -0.330 0.000 2.678 362 F HA 0.556 5.085 4.527 0.003 0.000 0.305 362 F C 1.507 177.122 175.800 -0.308 0.000 1.090 362 F CA 0.008 57.842 58.000 -0.278 0.000 1.272 362 F CB -0.016 38.816 39.000 -0.280 0.000 1.060 362 F HN 0.331 nan 8.300 nan 0.000 0.576 363 S N -1.463 113.751 115.700 -0.809 0.000 2.787 363 S HA 0.547 5.019 4.470 0.003 0.000 0.255 363 S C 0.914 175.226 174.600 -0.480 0.000 1.051 363 S CA 0.391 58.189 58.200 -0.669 0.000 1.124 363 S CB -0.211 62.347 63.200 -1.070 0.000 1.104 363 S HN 0.665 nan 8.310 nan 0.000 0.623 364 K N 1.850 122.006 120.400 -0.407 0.000 1.882 364 K HA -0.347 3.975 4.320 0.003 0.000 0.199 364 K C 0.665 177.120 176.600 -0.242 0.000 1.562 364 K CA 2.357 58.495 56.287 -0.247 0.000 0.515 364 K CB -2.592 29.822 32.500 -0.144 0.000 0.682 364 K HN 0.931 nan 8.250 nan 0.000 0.843 365 E N -1.687 118.432 120.200 -0.134 0.000 3.799 365 E HA -0.185 4.167 4.350 0.003 0.000 0.320 365 E C 0.403 176.985 176.600 -0.030 0.000 0.760 365 E CA 1.557 57.914 56.400 -0.072 0.000 1.153 365 E CB -1.906 27.755 29.700 -0.065 0.000 1.589 365 E HN 1.987 nan 8.360 nan 0.000 0.448 366 S N 1.050 116.724 115.700 -0.043 0.000 3.262 366 S HA -0.241 4.231 4.470 0.003 0.000 0.367 366 S C -0.575 174.041 174.600 0.026 0.000 0.914 366 S CA 1.585 59.781 58.200 -0.007 0.000 1.249 366 S CB -1.001 62.200 63.200 0.001 0.000 0.872 366 S HN 0.485 nan 8.310 nan 0.000 0.467 367 D N -0.833 119.600 120.400 0.055 0.000 2.655 367 D HA 0.437 5.078 4.640 0.003 0.000 0.229 367 D C -1.037 175.334 176.300 0.117 0.000 1.229 367 D CA -0.899 53.146 54.000 0.075 0.000 0.807 367 D CB 0.221 41.056 40.800 0.058 0.000 1.514 367 D HN -0.007 nan 8.370 nan 0.000 0.444 368 D N 1.045 121.494 120.400 0.083 0.000 2.443 368 D HA 0.187 4.829 4.640 0.003 0.000 0.234 368 D C -1.838 174.430 176.300 -0.053 0.000 1.172 368 D CA -0.241 53.794 54.000 0.057 0.000 0.878 368 D CB 0.051 40.894 40.800 0.072 0.000 1.204 368 D HN 0.243 nan 8.370 nan 0.000 0.453 369 P HA 0.079 nan 4.420 nan 0.000 0.278 369 P C 0.551 177.809 177.300 -0.069 0.000 1.258 369 P CA -0.544 62.274 63.100 -0.470 0.000 0.811 369 P CB 0.991 32.187 31.700 -0.840 0.000 1.063 370 M N 0.607 120.209 119.600 0.003 0.000 2.132 370 M HA 0.022 4.504 4.480 0.003 0.000 0.263 370 M C 0.326 176.695 176.300 0.115 0.000 1.065 370 M CA 1.783 57.143 55.300 0.101 0.000 1.122 370 M CB -0.134 32.575 32.600 0.182 0.000 1.365 370 M HN 0.516 nan 8.290 nan 0.000 0.411 371 A N -1.059 121.841 122.820 0.132 0.000 2.612 371 A HA 0.572 4.893 4.320 0.003 0.000 0.293 371 A C -1.872 175.814 177.584 0.170 0.000 1.075 371 A CA -0.747 51.345 52.037 0.092 0.000 0.680 371 A CB 0.839 19.872 19.000 0.055 0.000 1.279 371 A HN 0.505 nan 8.150 nan 0.000 0.411 372 Y N -0.957 119.333 120.300 -0.017 0.000 2.588 372 Y HA 0.864 5.416 4.550 0.003 0.000 0.343 372 Y C -1.317 174.479 175.900 -0.173 0.000 1.065 372 Y CA -1.644 56.362 58.100 -0.156 0.000 1.038 372 Y CB 1.333 39.660 38.460 -0.221 0.000 1.297 372 Y HN 0.822 nan 8.280 nan 0.000 0.467 373 I N 2.433 123.005 120.570 0.004 0.000 2.569 373 I HA 0.385 4.557 4.170 0.003 0.000 0.290 373 I C -1.760 174.493 176.117 0.226 0.000 1.088 373 I CA -0.433 60.903 61.300 0.060 0.000 1.047 373 I CB 1.744 39.787 38.000 0.072 0.000 1.237 373 I HN 0.940 nan 8.210 nan 0.000 0.421 374 H N 8.100 127.244 119.070 0.123 0.000 2.762 374 H HA 0.522 5.080 4.556 0.003 0.000 0.310 374 H C -1.762 173.691 175.328 0.209 0.000 1.004 374 H CA -0.725 55.419 56.048 0.160 0.000 1.267 374 H CB 0.854 30.762 29.762 0.242 0.000 1.437 374 H HN 0.549 nan 8.280 nan 0.000 0.498 375 F N 1.696 121.603 119.950 -0.072 0.000 2.664 375 F HA 0.591 5.120 4.527 0.003 0.000 0.329 375 F C -1.063 174.620 175.800 -0.194 0.000 1.090 375 F CA -1.098 56.796 58.000 -0.178 0.000 0.978 375 F CB 2.028 40.962 39.000 -0.109 0.000 1.378 375 F HN 0.246 nan 8.300 nan 0.000 0.495 376 T N 0.948 115.468 114.554 -0.058 0.000 2.848 376 T HA 0.745 5.097 4.350 0.003 0.000 0.285 376 T C -1.133 173.509 174.700 -0.097 0.000 0.995 376 T CA -0.396 61.594 62.100 -0.183 0.000 0.970 376 T CB 0.913 69.695 68.868 -0.142 0.000 0.976 376 T HN 1.118 nan 8.240 nan 0.000 0.441 377 A N 4.320 126.932 122.820 -0.346 0.000 2.290 377 A HA 0.762 5.084 4.320 0.003 0.000 0.310 377 A C -0.043 177.414 177.584 -0.212 0.000 1.202 377 A CA -0.578 51.248 52.037 -0.350 0.000 0.837 377 A CB 0.607 19.071 19.000 -0.894 0.000 1.139 377 A HN 0.805 nan 8.150 nan 0.000 0.509 378 E N 0.640 120.774 120.200 -0.110 0.000 2.263 378 E HA 0.670 5.022 4.350 0.003 0.000 0.264 378 E C 0.548 177.131 176.600 -0.028 0.000 0.923 378 E CA 0.341 56.706 56.400 -0.057 0.000 0.802 378 E CB 2.042 31.716 29.700 -0.043 0.000 1.228 378 E HN 1.352 nan 8.360 nan 0.000 0.417 379 G N 1.871 110.667 108.800 -0.007 0.000 2.659 379 G HA2 -0.286 3.675 3.960 0.003 0.000 0.214 379 G HA3 -0.286 3.675 3.960 0.003 0.000 0.214 379 G C 0.872 175.789 174.900 0.029 0.000 1.191 379 G CA 0.225 45.331 45.100 0.010 0.000 1.141 379 G HN 0.549 nan 8.290 nan 0.000 0.581 380 E N -0.469 119.756 120.200 0.043 0.000 2.085 380 E HA 0.162 4.513 4.350 0.003 0.000 0.194 380 E C 0.951 177.599 176.600 0.080 0.000 0.994 380 E CA 1.683 58.117 56.400 0.057 0.000 0.801 380 E CB -0.000 29.736 29.700 0.061 0.000 0.743 380 E HN 0.811 nan 8.360 nan 0.000 0.453 381 V N 0.136 120.116 119.914 0.111 0.000 2.925 381 V HA 0.341 4.463 4.120 0.003 0.000 0.311 381 V C -0.963 175.227 176.094 0.159 0.000 1.104 381 V CA -0.340 62.055 62.300 0.158 0.000 0.954 381 V CB 2.167 34.124 31.823 0.224 0.000 1.022 381 V HN 0.284 nan 8.190 nan 0.000 0.427 382 T N 3.112 117.759 114.554 0.155 0.000 2.829 382 T HA 0.889 5.241 4.350 0.003 0.000 0.280 382 T C -0.878 173.948 174.700 0.211 0.000 0.999 382 T CA -0.486 61.660 62.100 0.077 0.000 0.983 382 T CB 1.322 70.211 68.868 0.035 0.000 0.968 382 T HN 1.401 nan 8.240 nan 0.000 0.446 383 F N -1.250 118.706 119.950 0.011 0.000 2.725 383 F HA 0.683 5.212 4.527 0.003 0.000 0.309 383 F C -1.540 174.214 175.800 -0.076 0.000 1.132 383 F CA -1.378 56.609 58.000 -0.021 0.000 0.957 383 F CB 1.252 40.236 39.000 -0.027 0.000 1.286 383 F HN 0.552 nan 8.300 nan 0.000 0.440 384 K N 1.558 122.005 120.400 0.077 0.000 2.123 384 K HA 0.769 5.091 4.320 0.003 0.000 0.259 384 K C -1.010 175.545 176.600 -0.076 0.000 0.960 384 K CA -1.099 55.146 56.287 -0.070 0.000 0.872 384 K CB 1.993 34.550 32.500 0.095 0.000 1.079 384 K HN 0.757 nan 8.250 nan 0.000 0.440 385 S N 1.983 117.468 115.700 -0.357 0.000 2.537 385 S HA 0.567 5.038 4.470 0.003 0.000 0.270 385 S C -1.569 172.931 174.600 -0.167 0.000 1.142 385 S CA -0.774 57.222 58.200 -0.340 0.000 0.870 385 S CB 0.808 63.740 63.200 -0.446 0.000 1.112 385 S HN 0.501 nan 8.310 nan 0.000 0.466 386 I N 4.145 124.711 120.570 -0.006 0.000 2.447 386 I HA 0.468 4.639 4.170 0.003 0.000 0.287 386 I C -0.978 175.109 176.117 -0.049 0.000 1.023 386 I CA -0.573 60.760 61.300 0.055 0.000 1.083 386 I CB 1.602 39.705 38.000 0.171 0.000 1.245 386 I HN 0.432 nan 8.210 nan 0.000 0.434 387 L N 5.893 127.059 121.223 -0.095 0.000 2.342 387 L HA 0.647 4.988 4.340 0.003 0.000 0.271 387 L C -1.128 175.608 176.870 -0.224 0.000 1.008 387 L CA -0.637 54.187 54.840 -0.027 0.000 0.818 387 L CB 1.951 44.093 42.059 0.138 0.000 1.296 387 L HN 0.371 nan 8.230 nan 0.000 0.427 388 F N 0.489 120.587 119.950 0.246 0.000 2.577 388 F HA 0.569 5.098 4.527 0.003 0.000 0.318 388 F C -0.222 175.679 175.800 0.168 0.000 1.065 388 F CA -0.987 57.136 58.000 0.205 0.000 0.929 388 F CB 2.115 41.250 39.000 0.225 0.000 1.237 388 F HN -0.076 nan 8.300 nan 0.000 0.468 389 V N 4.109 124.218 119.914 0.325 0.000 2.347 389 V HA 0.370 4.492 4.120 0.003 0.000 0.280 389 V C -2.063 174.145 176.094 0.191 0.000 1.021 389 V CA -1.907 60.556 62.300 0.272 0.000 0.847 389 V CB 1.176 33.167 31.823 0.281 0.000 0.990 389 V HN 0.475 nan 8.190 nan 0.000 0.444 390 P HA 0.157 nan 4.420 nan 0.000 0.274 390 P C 0.710 178.145 177.300 0.224 0.000 1.260 390 P CA -0.040 63.196 63.100 0.226 0.000 0.793 390 P CB 0.692 32.593 31.700 0.335 0.000 1.048 391 T N -1.842 112.803 114.554 0.152 0.000 2.942 391 T HA 0.045 4.396 4.350 0.003 0.000 0.265 391 T C 0.750 175.476 174.700 0.043 0.000 1.062 391 T CA 1.006 63.165 62.100 0.099 0.000 1.139 391 T CB -0.125 68.778 68.868 0.058 0.000 0.883 391 T HN 0.394 nan 8.240 nan 0.000 0.468 392 S N 0.320 116.050 115.700 0.051 0.000 2.568 392 S HA 0.715 5.187 4.470 0.003 0.000 0.293 392 S C -0.491 174.079 174.600 -0.050 0.000 1.089 392 S CA -1.093 57.050 58.200 -0.096 0.000 0.945 392 S CB 1.824 64.984 63.200 -0.066 0.000 1.077 392 S HN 0.444 nan 8.310 nan 0.000 0.485 393 A N 3.463 126.095 122.820 -0.314 0.000 2.451 393 A HA 0.521 4.842 4.320 0.003 0.000 0.266 393 A C -2.192 175.384 177.584 -0.012 0.000 1.119 393 A CA -1.001 50.953 52.037 -0.139 0.000 0.786 393 A CB -0.772 18.009 19.000 -0.366 0.000 1.061 393 A HN 0.507 nan 8.150 nan 0.000 0.503 394 P HA 0.577 nan 4.420 nan 0.000 0.271 394 P C 0.031 177.346 177.300 0.025 0.000 1.216 394 P CA 0.157 63.290 63.100 0.055 0.000 0.771 394 P CB 0.873 32.625 31.700 0.087 0.000 0.864 409 I N 3.332 123.924 120.570 0.037 0.000 2.411 409 I HA 0.338 4.510 4.170 0.003 0.000 0.284 409 I C -0.990 175.100 176.117 -0.045 0.000 1.012 409 I CA -1.087 60.213 61.300 -0.000 0.000 1.119 409 I CB 1.903 39.896 38.000 -0.011 0.000 1.261 409 I HN 0.311 nan 8.210 nan 0.000 0.448 410 K N 5.791 126.154 120.400 -0.062 0.000 2.312 410 K HA 0.358 4.679 4.320 0.003 0.000 0.287 410 K C -0.729 175.814 176.600 -0.096 0.000 1.062 410 K CA -0.569 55.700 56.287 -0.029 0.000 0.934 410 K CB 1.308 33.850 32.500 0.070 0.000 1.027 410 K HN 0.293 nan 8.250 nan 0.000 0.478 411 L N 4.545 125.607 121.223 -0.268 0.000 2.282 411 L HA 0.360 4.701 4.340 0.003 0.000 0.288 411 L C -1.488 175.164 176.870 -0.364 0.000 1.033 411 L CA -0.250 54.419 54.840 -0.285 0.000 0.807 411 L CB 0.393 42.221 42.059 -0.386 0.000 1.209 411 L HN 0.455 nan 8.230 nan 0.000 0.423 412 Y N 3.563 123.728 120.300 -0.224 0.000 2.429 412 Y HA 0.647 5.199 4.550 0.003 0.000 0.342 412 Y C -0.382 175.460 175.900 -0.097 0.000 1.004 412 Y CA -0.919 57.111 58.100 -0.116 0.000 1.075 412 Y CB 2.258 40.724 38.460 0.009 0.000 1.214 412 Y HN 0.249 nan 8.280 nan 0.000 0.455 413 V N 4.299 124.250 119.914 0.062 0.000 2.350 413 V HA 0.370 4.492 4.120 0.003 0.000 0.285 413 V C -0.256 175.885 176.094 0.080 0.000 1.014 413 V CA -1.162 61.156 62.300 0.031 0.000 0.831 413 V CB 1.040 32.838 31.823 -0.041 0.000 1.000 413 V HN 0.812 nan 8.190 nan 0.000 0.433 414 R N 4.287 124.843 120.500 0.094 0.000 3.267 414 R HA -0.201 4.141 4.340 0.003 0.000 0.254 414 R C 0.801 177.172 176.300 0.117 0.000 0.993 414 R CA 0.576 56.728 56.100 0.087 0.000 0.670 414 R CB -1.279 29.051 30.300 0.050 0.000 1.125 414 R HN 0.857 nan 8.270 nan 0.000 0.434 415 R N -3.447 117.169 120.500 0.193 0.000 3.989 415 R HA -0.194 4.147 4.340 0.003 0.000 0.377 415 R C -0.448 176.056 176.300 0.340 0.000 1.158 415 R CA 1.366 57.605 56.100 0.231 0.000 1.035 415 R CB -1.446 28.894 30.300 0.066 0.000 1.557 415 R HN 0.165 nan 8.270 nan 0.000 0.551 416 V N 1.841 121.942 119.914 0.313 0.000 2.370 416 V HA 0.298 4.420 4.120 0.003 0.000 0.283 416 V C 0.207 176.379 176.094 0.129 0.000 1.023 416 V CA -0.711 61.726 62.300 0.228 0.000 0.857 416 V CB 1.119 33.004 31.823 0.103 0.000 0.985 416 V HN 0.146 nan 8.190 nan 0.000 0.443 417 F N 6.002 125.862 119.950 -0.149 0.000 2.572 417 F HA 0.210 4.739 4.527 0.003 0.000 0.370 417 F C 0.837 176.433 175.800 -0.340 0.000 1.103 417 F CA 0.222 57.855 58.000 -0.612 0.000 1.286 417 F CB 0.549 39.250 39.000 -0.499 0.000 1.105 417 F HN 0.338 nan 8.300 nan 0.000 0.583 418 I N 2.421 122.182 120.570 -1.348 0.000 3.570 418 I HA 0.164 4.336 4.170 0.003 0.000 0.270 418 I C 0.765 176.092 176.117 -1.317 0.000 1.162 418 I CA 0.704 61.403 61.300 -1.001 0.000 1.413 418 I CB -0.462 37.151 38.000 -0.646 0.000 1.437 418 I HN 0.619 nan 8.210 nan 0.000 0.457 419 T N 0.575 114.170 114.554 -1.597 0.000 2.733 419 T HA 0.296 4.648 4.350 0.003 0.000 0.312 419 T C -1.571 172.768 174.700 -0.602 0.000 1.590 419 T CA -0.251 61.241 62.100 -1.015 0.000 1.005 419 T CB 1.618 69.963 68.868 -0.873 0.000 1.528 419 T HN 0.295 nan 8.240 nan 0.000 0.496 420 D N -0.376 119.916 120.400 -0.180 0.000 2.539 420 D HA 0.237 4.878 4.640 0.003 0.000 0.232 420 D C 0.283 176.581 176.300 -0.003 0.000 1.256 420 D CA -0.191 53.788 54.000 -0.036 0.000 0.810 420 D CB 0.351 41.218 40.800 0.112 0.000 1.090 420 D HN 0.362 nan 8.370 nan 0.000 0.519 421 D N 0.059 120.445 120.400 -0.023 0.000 2.328 421 D HA 0.081 4.722 4.640 0.003 0.000 0.221 421 D C -0.205 176.305 176.300 0.351 0.000 1.072 421 D CA -0.082 54.000 54.000 0.137 0.000 0.850 421 D CB -0.042 40.835 40.800 0.129 0.000 0.922 421 D HN 0.354 nan 8.370 nan 0.000 0.516 422 F N 2.388 122.325 119.950 -0.022 0.000 2.405 422 F HA 0.071 4.599 4.527 0.003 0.000 0.358 422 F C 1.689 177.445 175.800 -0.073 0.000 1.151 422 F CA -0.751 57.193 58.000 -0.094 0.000 1.161 422 F CB 0.556 39.474 39.000 -0.136 0.000 1.245 422 F HN 0.080 nan 8.300 nan 0.000 0.545 423 H N 1.510 120.644 119.070 0.106 0.000 2.610 423 H HA 0.120 4.678 4.556 0.003 0.000 0.302 423 H C -0.517 174.811 175.328 -0.001 0.000 1.063 423 H CA -0.254 55.818 56.048 0.039 0.000 1.159 423 H CB -0.547 29.230 29.762 0.024 0.000 1.427 423 H HN 0.581 nan 8.280 nan 0.000 0.553 424 D N -0.349 119.942 120.400 -0.183 0.000 2.594 424 D HA 0.028 4.669 4.640 0.003 0.000 0.256 424 D C 1.338 177.574 176.300 -0.106 0.000 1.393 424 D CA -0.330 53.567 54.000 -0.171 0.000 0.797 424 D CB -0.118 40.501 40.800 -0.303 0.000 1.110 424 D HN 0.070 nan 8.370 nan 0.000 0.495 425 M N -0.178 119.388 119.600 -0.056 0.000 2.200 425 M HA 0.175 4.656 4.480 0.003 0.000 0.265 425 M C 0.417 176.675 176.300 -0.071 0.000 1.066 425 M CA 1.050 56.322 55.300 -0.046 0.000 1.127 425 M CB -0.284 32.305 32.600 -0.017 0.000 1.379 425 M HN 0.098 nan 8.290 nan 0.000 0.420 426 M N 0.557 120.107 119.600 -0.084 0.000 2.535 426 M HA 0.445 4.927 4.480 0.003 0.000 0.314 426 M C -2.283 173.938 176.300 -0.132 0.000 1.153 426 M CA -2.367 52.852 55.300 -0.135 0.000 0.924 426 M CB 1.318 33.810 32.600 -0.180 0.000 1.710 426 M HN -0.171 nan 8.290 nan 0.000 0.451 427 P HA 0.157 nan 4.420 nan 0.000 0.272 427 P C 0.344 177.571 177.300 -0.121 0.000 1.230 427 P CA -0.195 62.840 63.100 -0.107 0.000 0.788 427 P CB 1.144 32.792 31.700 -0.086 0.000 0.949 428 K N 1.193 121.595 120.400 0.004 0.000 2.113 428 K HA -0.211 4.111 4.320 0.003 0.000 0.208 428 K C 2.015 178.642 176.600 0.045 0.000 1.047 428 K CA 1.788 58.093 56.287 0.031 0.000 0.928 428 K CB -0.566 31.978 32.500 0.074 0.000 0.716 428 K HN 0.583 nan 8.250 nan 0.000 0.446 429 Y N -0.819 119.495 120.300 0.024 0.000 2.497 429 Y HA -0.012 4.540 4.550 0.003 0.000 0.292 429 Y C 1.029 176.949 175.900 0.034 0.000 1.137 429 Y CA 0.604 58.740 58.100 0.061 0.000 1.285 429 Y CB -0.186 38.321 38.460 0.077 0.000 0.991 429 Y HN -0.064 nan 8.280 nan 0.000 0.556 430 L N 2.167 123.040 121.223 -0.583 0.000 2.872 430 L HA 0.126 4.468 4.340 0.003 0.000 0.245 430 L C 1.286 177.733 176.870 -0.705 0.000 1.211 430 L CA -0.079 54.280 54.840 -0.801 0.000 1.013 430 L CB -0.364 41.194 42.059 -0.836 0.000 1.326 430 L HN 0.320 nan 8.230 nan 0.000 0.525 431 N N 1.082 119.588 118.700 -0.322 0.000 2.430 431 N HA -0.272 4.470 4.740 0.003 0.000 0.186 431 N C 1.447 176.892 175.510 -0.108 0.000 1.032 431 N CA 1.392 54.350 53.050 -0.154 0.000 0.893 431 N CB -0.649 37.834 38.487 -0.006 0.000 0.957 431 N HN 0.564 nan 8.380 nan 0.000 0.442 432 F N -0.423 119.497 119.950 -0.049 0.000 2.615 432 F HA 0.338 4.867 4.527 0.003 0.000 0.297 432 F C 0.440 176.211 175.800 -0.048 0.000 1.124 432 F CA -0.679 57.291 58.000 -0.051 0.000 1.451 432 F CB -0.657 38.243 39.000 -0.166 0.000 1.103 432 F HN -0.229 nan 8.300 nan 0.000 0.569 433 V N 2.669 122.303 119.914 -0.466 0.000 2.572 433 V HA 0.125 4.246 4.120 0.003 0.000 0.291 433 V C 0.030 176.153 176.094 0.048 0.000 1.039 433 V CA -0.550 61.644 62.300 -0.178 0.000 1.055 433 V CB 0.642 32.274 31.823 -0.319 0.000 0.969 433 V HN 0.236 nan 8.190 nan 0.000 0.482 434 K N 2.818 123.363 120.400 0.241 0.000 2.318 434 K HA 0.854 5.175 4.320 0.003 0.000 0.249 434 K C 0.109 176.997 176.600 0.479 0.000 0.942 434 K CA -0.399 56.090 56.287 0.336 0.000 0.808 434 K CB 2.393 35.134 32.500 0.400 0.000 1.189 434 K HN 0.968 nan 8.250 nan 0.000 0.428 435 G N -0.175 108.822 108.800 0.328 0.000 2.317 435 G HA2 0.328 4.290 3.960 0.003 0.000 0.293 435 G HA3 0.328 4.290 3.960 0.003 0.000 0.293 435 G C -1.702 173.164 174.900 -0.057 0.000 1.287 435 G CA -0.685 44.564 45.100 0.247 0.000 0.850 435 G HN 0.443 nan 8.290 nan 0.000 0.515 436 V N -2.164 117.678 119.914 -0.119 0.000 2.555 436 V HA 0.887 5.009 4.120 0.003 0.000 0.302 436 V C -0.365 175.532 176.094 -0.328 0.000 1.038 436 V CA -1.090 61.004 62.300 -0.343 0.000 0.887 436 V CB 1.428 32.751 31.823 -0.834 0.000 0.991 436 V HN 0.920 nan 8.190 nan 0.000 0.434 437 V N 2.974 122.717 119.914 -0.284 0.000 2.483 437 V HA 0.532 4.654 4.120 0.003 0.000 0.297 437 V C -1.120 174.863 176.094 -0.185 0.000 1.027 437 V CA -0.092 62.071 62.300 -0.228 0.000 0.855 437 V CB 1.678 33.340 31.823 -0.267 0.000 0.995 437 V HN 1.045 nan 8.190 nan 0.000 0.424 438 D N 3.046 123.370 120.400 -0.127 0.000 2.462 438 D HA 0.353 4.995 4.640 0.003 0.000 0.245 438 D C -0.522 175.855 176.300 0.128 0.000 1.122 438 D CA 0.150 54.163 54.000 0.021 0.000 0.864 438 D CB 1.904 42.745 40.800 0.069 0.000 1.098 438 D HN 0.468 nan 8.370 nan 0.000 0.541 439 S N 2.300 118.054 115.700 0.089 0.000 2.462 439 S HA 0.258 4.729 4.470 0.003 0.000 0.294 439 S C 0.754 175.402 174.600 0.081 0.000 1.144 439 S CA -0.693 57.571 58.200 0.107 0.000 1.088 439 S CB 0.893 64.104 63.200 0.017 0.000 1.009 439 S HN 0.458 nan 8.310 nan 0.000 0.484 440 D N 2.897 123.350 120.400 0.089 0.000 2.360 440 D HA 0.027 4.669 4.640 0.003 0.000 0.210 440 D C 0.168 176.491 176.300 0.039 0.000 1.047 440 D CA 0.081 54.116 54.000 0.058 0.000 0.854 440 D CB 0.098 40.931 40.800 0.056 0.000 0.936 440 D HN 0.442 nan 8.370 nan 0.000 0.514 441 D N 0.689 121.114 120.400 0.042 0.000 2.301 441 D HA 0.129 4.770 4.640 0.003 0.000 0.206 441 D C 1.093 177.374 176.300 -0.032 0.000 0.979 441 D CA 0.042 54.056 54.000 0.023 0.000 0.874 441 D CB 0.666 41.496 40.800 0.051 0.000 0.968 441 D HN 0.242 nan 8.370 nan 0.000 0.510 442 L N 2.636 123.816 121.223 -0.071 0.000 2.483 442 L HA 0.132 4.474 4.340 0.003 0.000 0.275 442 L C -1.876 174.911 176.870 -0.138 0.000 1.220 442 L CA -1.363 53.370 54.840 -0.179 0.000 0.833 442 L CB -0.106 41.852 42.059 -0.168 0.000 1.102 442 L HN -0.118 nan 8.230 nan 0.000 0.490 443 P HA -0.006 nan 4.420 nan 0.000 0.271 443 P C 0.097 177.363 177.300 -0.056 0.000 1.220 443 P CA -0.226 62.828 63.100 -0.077 0.000 0.768 443 P CB 1.416 33.093 31.700 -0.039 0.000 0.848 444 L N 4.315 125.521 121.223 -0.028 0.000 2.185 444 L HA 0.194 4.536 4.340 0.003 0.000 0.198 444 L C 1.091 177.952 176.870 -0.015 0.000 1.079 444 L CA 1.347 56.173 54.840 -0.023 0.000 0.780 444 L CB -0.751 41.304 42.059 -0.007 0.000 0.955 444 L HN 0.221 nan 8.230 nan 0.000 0.462 445 N N 1.160 119.859 118.700 -0.002 0.000 3.210 445 N HA 0.272 5.014 4.740 0.003 0.000 0.314 445 N C -0.098 175.417 175.510 0.008 0.000 1.291 445 N CA 0.719 53.771 53.050 0.003 0.000 1.202 445 N CB 0.062 38.554 38.487 0.008 0.000 1.475 445 N HN 0.365 nan 8.380 nan 0.000 0.554 446 V N -1.341 118.576 119.914 0.005 0.000 3.182 446 V HA 0.498 4.620 4.120 0.003 0.000 0.308 446 V C 0.310 176.413 176.094 0.013 0.000 1.240 446 V CA -0.996 61.313 62.300 0.016 0.000 1.063 446 V CB 1.846 33.689 31.823 0.032 0.000 1.076 446 V HN 0.174 nan 8.190 nan 0.000 0.446 447 S N -0.603 115.111 115.700 0.023 0.000 2.634 447 S HA 0.361 4.833 4.470 0.003 0.000 0.261 447 S C 1.271 175.900 174.600 0.047 0.000 1.271 447 S CA 0.250 58.465 58.200 0.025 0.000 0.985 447 S CB 1.096 64.311 63.200 0.025 0.000 0.968 447 S HN 0.754 nan 8.310 nan 0.000 0.568 448 R N 1.279 121.815 120.500 0.059 0.000 2.062 448 R HA 0.083 4.424 4.340 0.003 0.000 0.229 448 R C 2.755 179.136 176.300 0.134 0.000 1.128 448 R CA 2.113 58.295 56.100 0.137 0.000 0.960 448 R CB -1.364 29.014 30.300 0.129 0.000 0.855 448 R HN 0.849 nan 8.270 nan 0.000 0.432 449 E N -0.082 120.152 120.200 0.058 0.000 2.049 449 E HA -0.219 4.133 4.350 0.003 0.000 0.198 449 E C 2.059 178.652 176.600 -0.012 0.000 1.007 449 E CA 2.145 58.548 56.400 0.004 0.000 0.809 449 E CB -1.525 28.177 29.700 0.003 0.000 0.749 449 E HN 0.459 nan 8.360 nan 0.000 0.450 450 T N 0.396 114.961 114.554 0.019 0.000 2.720 450 T HA -0.124 4.228 4.350 0.003 0.000 0.268 450 T C 2.029 176.769 174.700 0.067 0.000 1.037 450 T CA 1.498 63.618 62.100 0.032 0.000 1.144 450 T CB -0.360 68.536 68.868 0.047 0.000 0.864 450 T HN 0.300 nan 8.240 nan 0.000 0.444 451 L N 0.854 122.131 121.223 0.091 0.000 2.141 451 L HA 0.045 4.387 4.340 0.003 0.000 0.209 451 L C 2.477 179.387 176.870 0.066 0.000 1.094 451 L CA 1.689 56.605 54.840 0.126 0.000 0.763 451 L CB -0.641 41.511 42.059 0.156 0.000 0.908 451 L HN 0.225 nan 8.230 nan 0.000 0.437 452 Q N -1.082 118.633 119.800 -0.142 0.000 2.167 452 Q HA -0.244 4.098 4.340 0.003 0.000 0.202 452 Q C 2.185 178.005 176.000 -0.299 0.000 0.970 452 Q CA 1.572 57.026 55.803 -0.583 0.000 0.855 452 Q CB -0.036 28.067 28.738 -1.059 0.000 0.911 452 Q HN 0.661 nan 8.270 nan 0.000 0.438 453 Q N -0.650 119.055 119.800 -0.159 0.000 2.432 453 Q HA -0.081 4.261 4.340 0.003 0.000 0.205 453 Q C -0.062 175.908 176.000 -0.049 0.000 0.945 453 Q CA -0.177 55.561 55.803 -0.108 0.000 0.924 453 Q CB 0.223 28.907 28.738 -0.090 0.000 1.016 453 Q HN 0.342 nan 8.270 nan 0.000 0.503 454 H N 0.529 119.550 119.070 -0.082 0.000 3.094 454 H HA -0.045 4.513 4.556 0.003 0.000 0.320 454 H C 1.119 176.420 175.328 -0.045 0.000 1.000 454 H CA 1.459 57.479 56.048 -0.047 0.000 1.413 454 H CB 1.175 30.922 29.762 -0.025 0.000 1.405 454 H HN 0.252 nan 8.280 nan 0.000 0.586 455 K N 5.716 126.065 120.400 -0.084 0.000 2.211 455 K HA -0.093 4.229 4.320 0.003 0.000 0.204 455 K C 2.463 179.138 176.600 0.125 0.000 1.047 455 K CA 1.442 57.730 56.287 0.003 0.000 0.935 455 K CB -0.483 31.972 32.500 -0.076 0.000 0.728 455 K HN 0.706 nan 8.250 nan 0.000 0.452 456 L N -0.041 121.378 121.223 0.327 0.000 2.217 456 L HA -0.019 4.323 4.340 0.003 0.000 0.211 456 L C 2.615 179.530 176.870 0.075 0.000 1.107 456 L CA 0.604 55.551 54.840 0.178 0.000 0.783 456 L CB -0.321 41.820 42.059 0.136 0.000 0.919 456 L HN 0.293 nan 8.230 nan 0.000 0.442 457 L N -0.073 121.189 121.223 0.064 0.000 2.083 457 L HA -0.232 4.109 4.340 0.003 0.000 0.209 457 L C 2.582 179.438 176.870 -0.022 0.000 1.083 457 L CA 1.480 56.313 54.840 -0.011 0.000 0.752 457 L CB -0.387 41.663 42.059 -0.016 0.000 0.899 457 L HN 0.297 nan 8.230 nan 0.000 0.433 458 K N -0.654 119.745 120.400 -0.002 0.000 2.147 458 K HA -0.113 4.208 4.320 0.003 0.000 0.205 458 K C 1.956 178.564 176.600 0.013 0.000 1.049 458 K CA 0.993 57.277 56.287 -0.005 0.000 0.936 458 K CB -0.147 32.351 32.500 -0.002 0.000 0.722 458 K HN 0.163 nan 8.250 nan 0.000 0.446 459 V N 1.752 121.686 119.914 0.034 0.000 2.379 459 V HA -0.189 3.933 4.120 0.003 0.000 0.245 459 V C 2.151 178.297 176.094 0.086 0.000 1.044 459 V CA 1.424 63.762 62.300 0.063 0.000 1.036 459 V CB -0.359 31.514 31.823 0.083 0.000 0.664 459 V HN 0.249 nan 8.190 nan 0.000 0.453 460 I N 0.078 120.669 120.570 0.036 0.000 2.252 460 I HA -0.236 3.936 4.170 0.003 0.000 0.245 460 I C 2.724 178.826 176.117 -0.025 0.000 1.102 460 I CA 1.727 62.999 61.300 -0.046 0.000 1.385 460 I CB -0.432 37.349 38.000 -0.364 0.000 1.064 460 I HN 0.260 nan 8.210 nan 0.000 0.414 461 R N 1.879 122.357 120.500 -0.037 0.000 2.080 461 R HA -0.215 4.127 4.340 0.003 0.000 0.236 461 R C 2.228 178.531 176.300 0.004 0.000 1.137 461 R CA 1.786 57.868 56.100 -0.030 0.000 0.943 461 R CB -0.175 30.100 30.300 -0.042 0.000 0.846 461 R HN 0.196 nan 8.270 nan 0.000 0.431 462 K N 0.049 120.461 120.400 0.019 0.000 2.160 462 K HA -0.208 4.114 4.320 0.003 0.000 0.206 462 K C 2.127 178.751 176.600 0.040 0.000 1.047 462 K CA 1.718 58.018 56.287 0.021 0.000 0.930 462 K CB -0.078 32.435 32.500 0.022 0.000 0.720 462 K HN 0.028 nan 8.250 nan 0.000 0.450 463 K N 1.329 121.791 120.400 0.104 0.000 2.103 463 K HA -0.017 4.304 4.320 0.003 0.000 0.204 463 K C 1.758 178.425 176.600 0.112 0.000 1.052 463 K CA 0.933 57.305 56.287 0.142 0.000 0.945 463 K CB -0.078 32.640 32.500 0.363 0.000 0.722 463 K HN 0.035 nan 8.250 nan 0.000 0.443 464 L N -0.132 121.187 121.223 0.160 0.000 2.046 464 L HA -0.163 4.179 4.340 0.003 0.000 0.208 464 L C 2.166 179.040 176.870 0.007 0.000 1.077 464 L CA 0.929 55.849 54.840 0.133 0.000 0.747 464 L CB -0.517 41.593 42.059 0.086 0.000 0.896 464 L HN -0.011 nan 8.230 nan 0.000 0.432 465 V N 0.266 120.165 119.914 -0.025 0.000 2.295 465 V HA -0.304 3.818 4.120 0.003 0.000 0.246 465 V C 3.243 179.312 176.094 -0.041 0.000 1.049 465 V CA 2.418 64.686 62.300 -0.052 0.000 1.024 465 V CB -1.153 30.648 31.823 -0.038 0.000 0.648 465 V HN 0.543 nan 8.190 nan 0.000 0.447 466 R N 0.375 120.845 120.500 -0.050 0.000 2.115 466 R HA -0.138 4.204 4.340 0.003 0.000 0.230 466 R C 2.106 178.323 176.300 -0.137 0.000 1.111 466 R CA 1.506 57.561 56.100 -0.074 0.000 0.976 466 R CB -0.804 29.451 30.300 -0.076 0.000 0.870 466 R HN 0.485 nan 8.270 nan 0.000 0.445 467 K N -0.014 120.256 120.400 -0.217 0.000 2.167 467 K HA -0.001 4.321 4.320 0.003 0.000 0.203 467 K C 2.148 178.649 176.600 -0.165 0.000 1.052 467 K CA 1.663 57.745 56.287 -0.343 0.000 0.956 467 K CB -0.391 31.619 32.500 -0.817 0.000 0.735 467 K HN 0.456 nan 8.250 nan 0.000 0.451 468 T N 2.468 116.973 114.554 -0.082 0.000 2.777 468 T HA -0.015 4.337 4.350 0.003 0.000 0.266 468 T C 2.010 176.705 174.700 -0.008 0.000 1.040 468 T CA 0.859 62.943 62.100 -0.027 0.000 1.141 468 T CB -0.160 68.678 68.868 -0.049 0.000 0.868 468 T HN 0.081 nan 8.240 nan 0.000 0.444 469 L N 0.883 122.101 121.223 -0.009 0.000 2.131 469 L HA -0.123 4.219 4.340 0.003 0.000 0.210 469 L C 2.410 179.256 176.870 -0.039 0.000 1.092 469 L CA 1.078 55.924 54.840 0.011 0.000 0.759 469 L CB -0.630 41.450 42.059 0.035 0.000 0.903 469 L HN 0.170 nan 8.230 nan 0.000 0.435 470 D N -0.153 120.201 120.400 -0.076 0.000 2.097 470 D HA -0.225 4.417 4.640 0.003 0.000 0.195 470 D C 2.138 178.382 176.300 -0.093 0.000 0.989 470 D CA 1.321 55.263 54.000 -0.097 0.000 0.827 470 D CB -0.113 40.605 40.800 -0.136 0.000 0.966 470 D HN 0.269 nan 8.370 nan 0.000 0.456 471 M N 0.145 119.697 119.600 -0.080 0.000 2.067 471 M HA -0.152 4.330 4.480 0.003 0.000 0.260 471 M C 2.009 178.269 176.300 -0.067 0.000 1.069 471 M CA 1.465 56.724 55.300 -0.069 0.000 1.117 471 M CB -0.094 32.487 32.600 -0.032 0.000 1.334 471 M HN -0.071 nan 8.290 nan 0.000 0.407 472 I N 0.290 120.826 120.570 -0.057 0.000 2.264 472 I HA -0.318 3.854 4.170 0.003 0.000 0.248 472 I C 2.498 178.504 176.117 -0.185 0.000 1.111 472 I CA 1.519 62.734 61.300 -0.141 0.000 1.382 472 I CB -0.543 37.380 38.000 -0.128 0.000 1.060 472 I HN 0.416 nan 8.210 nan 0.000 0.418 473 K N 0.991 121.298 120.400 -0.156 0.000 2.211 473 K HA -0.133 4.188 4.320 0.003 0.000 0.203 473 K C 1.909 178.406 176.600 -0.171 0.000 1.050 473 K CA 0.971 57.140 56.287 -0.197 0.000 0.945 473 K CB 0.192 32.609 32.500 -0.138 0.000 0.732 473 K HN 0.042 nan 8.250 nan 0.000 0.451 474 K N 0.751 121.076 120.400 -0.125 0.000 2.486 474 K HA 0.060 4.382 4.320 0.003 0.000 0.194 474 K C 0.427 176.977 176.600 -0.082 0.000 1.033 474 K CA 0.291 56.516 56.287 -0.104 0.000 1.004 474 K CB -0.046 32.392 32.500 -0.103 0.000 0.798 474 K HN 0.249 nan 8.250 nan 0.000 0.495 475 I N 1.908 122.440 120.570 -0.062 0.000 2.648 475 I HA -0.058 4.114 4.170 0.003 0.000 0.284 475 I C 0.659 176.786 176.117 0.016 0.000 1.153 475 I CA -0.398 60.907 61.300 0.008 0.000 1.426 475 I CB 0.636 38.699 38.000 0.104 0.000 1.381 475 I HN -0.019 nan 8.210 nan 0.000 0.571 476 A N 4.511 127.350 122.820 0.031 0.000 2.565 476 A HA -0.096 4.226 4.320 0.003 0.000 0.237 476 A C 1.247 178.873 177.584 0.070 0.000 1.053 476 A CA -0.043 52.013 52.037 0.031 0.000 0.755 476 A CB 0.051 19.070 19.000 0.033 0.000 0.980 476 A HN 0.889 nan 8.150 nan 0.000 0.506 477 D N 1.941 122.362 120.400 0.035 0.000 2.133 477 D HA -0.188 4.454 4.640 0.003 0.000 0.192 477 D C 2.128 178.494 176.300 0.109 0.000 1.001 477 D CA 2.569 56.600 54.000 0.053 0.000 0.844 477 D CB 0.007 40.811 40.800 0.008 0.000 0.944 477 D HN 0.785 nan 8.370 nan 0.000 0.447 478 E N 0.913 121.159 120.200 0.078 0.000 2.031 478 E HA -0.201 4.151 4.350 0.003 0.000 0.193 478 E C 2.077 178.739 176.600 0.104 0.000 0.994 478 E CA 1.732 58.178 56.400 0.076 0.000 0.800 478 E CB -0.867 28.863 29.700 0.050 0.000 0.752 478 E HN 0.437 nan 8.360 nan 0.000 0.447 479 K N -1.464 119.002 120.400 0.111 0.000 2.147 479 K HA -0.143 4.178 4.320 0.003 0.000 0.205 479 K C 2.116 178.821 176.600 0.175 0.000 1.049 479 K CA 1.403 57.763 56.287 0.121 0.000 0.936 479 K CB -0.347 32.218 32.500 0.109 0.000 0.722 479 K HN 0.508 nan 8.250 nan 0.000 0.446 480 Y N 1.775 122.134 120.300 0.098 0.000 2.145 480 Y HA -0.224 4.328 4.550 0.003 0.000 0.286 480 Y C 1.756 177.802 175.900 0.244 0.000 1.145 480 Y CA 2.009 60.199 58.100 0.150 0.000 1.148 480 Y CB -0.164 38.322 38.460 0.044 0.000 0.981 480 Y HN 0.189 nan 8.280 nan 0.000 0.507 481 N N 0.233 119.066 118.700 0.222 0.000 2.171 481 N HA -0.138 4.604 4.740 0.003 0.000 0.184 481 N C 1.301 176.881 175.510 0.116 0.000 1.021 481 N CA 1.587 54.724 53.050 0.145 0.000 0.854 481 N CB -0.471 38.081 38.487 0.108 0.000 0.994 481 N HN 0.423 nan 8.380 nan 0.000 0.426 482 D N -0.632 119.823 120.400 0.093 0.000 2.194 482 D HA 0.014 4.656 4.640 0.003 0.000 0.204 482 D C 1.269 177.592 176.300 0.037 0.000 0.964 482 D CA 1.106 55.144 54.000 0.063 0.000 0.846 482 D CB 0.092 40.924 40.800 0.052 0.000 0.962 482 D HN 0.258 nan 8.370 nan 0.000 0.490 483 T N -0.728 113.854 114.554 0.047 0.000 3.114 483 T HA 0.064 4.416 4.350 0.003 0.000 0.240 483 T C 1.561 176.245 174.700 -0.027 0.000 0.983 483 T CA -0.337 61.769 62.100 0.010 0.000 1.151 483 T CB -0.262 68.633 68.868 0.045 0.000 0.974 483 T HN 0.018 nan 8.240 nan 0.000 0.442 484 F N 1.209 121.094 119.950 -0.108 0.000 2.113 484 F HA 0.001 4.529 4.527 0.003 0.000 0.297 484 F C 2.239 177.892 175.800 -0.245 0.000 1.103 484 F CA 1.313 59.232 58.000 -0.135 0.000 1.248 484 F CB -0.116 38.774 39.000 -0.184 0.000 0.999 484 F HN 0.248 nan 8.300 nan 0.000 0.475 485 W N 1.998 123.153 121.300 -0.241 0.000 2.363 485 W HA -0.226 4.436 4.660 0.003 0.000 0.296 485 W C 2.257 178.603 176.519 -0.288 0.000 1.212 485 W CA 1.920 59.111 57.345 -0.257 0.000 1.260 485 W CB -0.394 28.942 29.460 -0.207 0.000 1.131 485 W HN 0.127 nan 8.180 nan 0.000 0.530 486 K N 0.231 120.478 120.400 -0.254 0.000 2.097 486 K HA -0.181 4.140 4.320 0.003 0.000 0.205 486 K C 1.841 178.121 176.600 -0.534 0.000 1.050 486 K CA 1.497 57.600 56.287 -0.308 0.000 0.938 486 K CB -0.027 32.377 32.500 -0.161 0.000 0.718 486 K HN -0.069 nan 8.250 nan 0.000 0.442 487 E N -0.479 119.277 120.200 -0.739 0.000 2.086 487 E HA -0.074 4.278 4.350 0.003 0.000 0.190 487 E C 0.991 176.721 176.600 -1.450 0.000 0.975 487 E CA 1.069 56.773 56.400 -1.160 0.000 0.813 487 E CB 0.145 28.886 29.700 -1.598 0.000 0.768 487 E HN 0.348 nan 8.360 nan 0.000 0.457 488 F N -0.732 118.619 119.950 -0.997 0.000 2.775 488 F HA 0.347 4.876 4.527 0.003 0.000 0.313 488 F C 1.800 177.020 175.800 -0.965 0.000 1.121 488 F CA -0.237 57.124 58.000 -1.065 0.000 1.206 488 F CB 0.644 38.695 39.000 -1.581 0.000 1.052 488 F HN -0.025 nan 8.300 nan 0.000 0.524 489 G N 0.309 108.410 108.800 -1.164 0.000 2.432 489 G HA2 -0.200 3.761 3.960 0.003 0.000 0.219 489 G HA3 -0.200 3.761 3.960 0.003 0.000 0.219 489 G C 1.607 175.970 174.900 -0.895 0.000 1.135 489 G CA 1.612 45.571 45.100 -1.901 0.000 0.767 489 G HN 0.272 nan 8.290 nan 0.000 0.550 490 T N 1.478 115.717 114.554 -0.525 0.000 2.788 490 T HA -0.129 4.222 4.350 0.003 0.000 0.268 490 T C 2.294 176.947 174.700 -0.078 0.000 1.044 490 T CA 1.419 63.386 62.100 -0.222 0.000 1.139 490 T CB -0.286 68.484 68.868 -0.165 0.000 0.867 490 T HN 0.315 nan 8.240 nan 0.000 0.454 491 N N 1.401 120.091 118.700 -0.017 0.000 2.120 491 N HA -0.028 4.714 4.740 0.003 0.000 0.188 491 N C 1.682 177.332 175.510 0.234 0.000 1.024 491 N CA 0.836 54.012 53.050 0.210 0.000 0.852 491 N CB -0.417 38.323 38.487 0.421 0.000 1.003 491 N HN 0.245 nan 8.380 nan 0.000 0.424 492 I N 1.127 121.808 120.570 0.184 0.000 2.361 492 I HA -0.190 3.982 4.170 0.003 0.000 0.251 492 I C 1.779 177.959 176.117 0.104 0.000 1.133 492 I CA 1.231 62.669 61.300 0.230 0.000 1.413 492 I CB -0.827 37.427 38.000 0.423 0.000 1.073 492 I HN 0.212 nan 8.210 nan 0.000 0.424 493 K N 0.621 121.066 120.400 0.076 0.000 2.057 493 K HA -0.071 4.251 4.320 0.003 0.000 0.206 493 K C 2.202 178.804 176.600 0.002 0.000 1.050 493 K CA 1.005 57.335 56.287 0.073 0.000 0.935 493 K CB -0.152 32.406 32.500 0.097 0.000 0.715 493 K HN 0.247 nan 8.250 nan 0.000 0.439 494 L N 0.080 121.293 121.223 -0.015 0.000 2.141 494 L HA -0.103 4.238 4.340 0.003 0.000 0.209 494 L C 2.482 179.239 176.870 -0.188 0.000 1.094 494 L CA 1.147 55.964 54.840 -0.039 0.000 0.763 494 L CB -0.710 41.369 42.059 0.032 0.000 0.908 494 L HN 0.341 nan 8.230 nan 0.000 0.437 495 G N -0.252 108.275 108.800 -0.455 0.000 2.418 495 G HA2 -0.206 3.756 3.960 0.003 0.000 0.217 495 G HA3 -0.206 3.756 3.960 0.003 0.000 0.217 495 G C 1.586 176.194 174.900 -0.487 0.000 1.158 495 G CA 0.913 45.331 45.100 -1.136 0.000 0.771 495 G HN 0.194 nan 8.290 nan 0.000 0.545 496 V N 1.170 120.955 119.914 -0.215 0.000 2.392 496 V HA -0.169 3.953 4.120 0.003 0.000 0.249 496 V C 2.751 178.818 176.094 -0.044 0.000 1.059 496 V CA 1.617 63.873 62.300 -0.072 0.000 1.051 496 V CB -0.338 31.488 31.823 0.004 0.000 0.658 496 V HN 0.426 nan 8.190 nan 0.000 0.455 497 I N 0.239 120.780 120.570 -0.048 0.000 2.406 497 I HA -0.086 4.085 4.170 0.003 0.000 0.249 497 I C 2.756 178.881 176.117 0.015 0.000 1.122 497 I CA 1.565 62.866 61.300 0.001 0.000 1.431 497 I CB -0.529 37.482 38.000 0.018 0.000 1.087 497 I HN 0.434 nan 8.210 nan 0.000 0.424 498 E N -0.349 119.837 120.200 -0.024 0.000 2.201 498 E HA -0.080 4.272 4.350 0.003 0.000 0.193 498 E C 0.972 177.623 176.600 0.085 0.000 0.957 498 E CA 0.490 56.917 56.400 0.044 0.000 0.858 498 E CB -0.061 29.682 29.700 0.072 0.000 0.816 498 E HN 0.274 nan 8.360 nan 0.000 0.475 499 D N -0.049 120.345 120.400 -0.010 0.000 2.494 499 D HA 0.139 4.781 4.640 0.003 0.000 0.217 499 D C 0.933 177.220 176.300 -0.022 0.000 1.153 499 D CA -0.211 53.788 54.000 -0.001 0.000 0.954 499 D CB -0.055 40.765 40.800 0.034 0.000 1.034 499 D HN 0.660 nan 8.370 nan 0.000 0.518 500 H N 0.372 119.462 119.070 0.034 0.000 2.353 500 H HA -0.135 4.422 4.556 0.003 0.000 0.300 500 H C 1.824 177.173 175.328 0.035 0.000 1.090 500 H CA 1.650 57.716 56.048 0.030 0.000 1.327 500 H CB -0.191 29.587 29.762 0.028 0.000 1.383 500 H HN 0.233 nan 8.280 nan 0.000 0.508 501 S N -0.045 115.455 115.700 -0.333 0.000 2.453 501 S HA -0.080 4.391 4.470 0.003 0.000 0.231 501 S C 1.456 176.027 174.600 -0.049 0.000 1.005 501 S CA 0.815 58.938 58.200 -0.129 0.000 0.949 501 S CB -0.087 63.013 63.200 -0.167 0.000 0.774 501 S HN 0.489 nan 8.310 nan 0.000 0.510 502 N N 0.915 119.590 118.700 -0.041 0.000 2.236 502 N HA 0.213 4.954 4.740 0.003 0.000 0.196 502 N C 1.370 176.900 175.510 0.033 0.000 1.114 502 N CA -0.046 53.011 53.050 0.012 0.000 0.859 502 N CB -0.063 38.453 38.487 0.049 0.000 0.982 502 N HN 0.469 nan 8.380 nan 0.000 0.493 503 R N 0.999 121.519 120.500 0.033 0.000 2.133 503 R HA -0.157 4.184 4.340 0.003 0.000 0.245 503 R C 1.528 177.878 176.300 0.084 0.000 1.137 503 R CA 2.212 58.345 56.100 0.055 0.000 0.947 503 R CB -0.230 30.112 30.300 0.070 0.000 0.865 503 R HN 0.047 nan 8.270 nan 0.000 0.437 504 T N 0.216 114.815 114.554 0.075 0.000 2.684 504 T HA -0.144 4.208 4.350 0.003 0.000 0.267 504 T C 1.775 176.532 174.700 0.094 0.000 1.036 504 T CA 1.707 63.856 62.100 0.082 0.000 1.148 504 T CB -0.195 68.691 68.868 0.029 0.000 0.863 504 T HN 0.385 nan 8.240 nan 0.000 0.436 505 R N 0.433 120.971 120.500 0.064 0.000 2.081 505 R HA 0.023 4.365 4.340 0.003 0.000 0.235 505 R C 2.477 178.828 176.300 0.086 0.000 1.131 505 R CA 1.110 57.245 56.100 0.058 0.000 0.960 505 R CB -0.530 29.793 30.300 0.038 0.000 0.856 505 R HN 0.359 nan 8.270 nan 0.000 0.436 506 L N -0.032 121.251 121.223 0.099 0.000 2.072 506 L HA -0.086 4.256 4.340 0.003 0.000 0.205 506 L C 2.698 179.650 176.870 0.136 0.000 1.079 506 L CA 1.062 55.974 54.840 0.120 0.000 0.752 506 L CB -0.569 41.535 42.059 0.075 0.000 0.906 506 L HN 0.226 nan 8.230 nan 0.000 0.436 507 A N 0.200 123.114 122.820 0.157 0.000 1.940 507 A HA -0.243 4.078 4.320 0.003 0.000 0.219 507 A C 2.279 179.971 177.584 0.181 0.000 1.176 507 A CA 1.762 53.918 52.037 0.197 0.000 0.631 507 A CB -0.401 18.804 19.000 0.341 0.000 0.814 507 A HN 0.336 nan 8.150 nan 0.000 0.446 508 K N -0.684 119.859 120.400 0.238 0.000 2.283 508 K HA 0.058 4.380 4.320 0.003 0.000 0.202 508 K C 1.301 177.909 176.600 0.014 0.000 1.048 508 K CA 0.878 57.273 56.287 0.181 0.000 0.948 508 K CB -0.213 32.379 32.500 0.153 0.000 0.742 508 K HN 0.492 nan 8.250 nan 0.000 0.458 509 L N 0.895 122.138 121.223 0.033 0.000 2.567 509 L HA 0.100 4.442 4.340 0.003 0.000 0.225 509 L C 0.496 177.408 176.870 0.070 0.000 1.119 509 L CA -0.214 54.647 54.840 0.035 0.000 0.871 509 L CB -0.036 42.128 42.059 0.175 0.000 1.036 509 L HN 0.065 nan 8.230 nan 0.000 0.459 510 L N 0.874 122.054 121.223 -0.072 0.000 2.461 510 L HA 0.134 4.476 4.340 0.003 0.000 0.272 510 L C 0.181 176.533 176.870 -0.863 0.000 1.197 510 L CA 0.253 54.854 54.840 -0.398 0.000 0.836 510 L CB 0.138 42.026 42.059 -0.286 0.000 1.105 510 L HN 0.115 nan 8.230 nan 0.000 0.477 511 R N 2.736 122.238 120.500 -1.663 0.000 2.621 511 R HA 0.625 4.966 4.340 0.003 0.000 0.284 511 R C -1.402 174.161 176.300 -1.229 0.000 0.998 511 R CA -0.703 54.600 56.100 -1.328 0.000 0.895 511 R CB 1.953 31.288 30.300 -1.609 0.000 1.195 511 R HN 0.351 nan 8.270 nan 0.000 0.450 512 F N -0.017 119.780 119.950 -0.254 0.000 2.629 512 F HA 0.394 4.922 4.527 0.002 0.000 0.316 512 F C 0.538 176.344 175.800 0.011 0.000 1.081 512 F CA -1.023 56.941 58.000 -0.059 0.000 0.954 512 F CB 1.754 40.733 39.000 -0.035 0.000 1.337 512 F HN 0.131 nan 8.300 nan 0.000 0.474 513 Q N 0.954 120.952 119.800 0.331 0.000 2.354 513 Q HA 0.570 4.911 4.340 0.003 0.000 0.244 513 Q C -0.414 175.744 176.000 0.263 0.000 0.969 513 Q CA -0.385 55.592 55.803 0.290 0.000 0.885 513 Q CB 1.640 30.575 28.738 0.327 0.000 1.241 513 Q HN 0.742 nan 8.270 nan 0.000 0.461 514 S N -0.795 115.038 115.700 0.222 0.000 2.705 514 S HA 0.299 4.771 4.470 0.003 0.000 0.280 514 S C 0.163 174.800 174.600 0.062 0.000 1.174 514 S CA -0.698 57.501 58.200 -0.002 0.000 0.823 514 S CB 1.321 64.587 63.200 0.110 0.000 1.162 514 S HN 0.439 nan 8.310 nan 0.000 0.487 515 S N 0.246 115.876 115.700 -0.118 0.000 2.447 515 S HA -0.076 4.396 4.470 0.003 0.000 0.233 515 S C 1.456 176.174 174.600 0.196 0.000 1.006 515 S CA 1.484 59.769 58.200 0.141 0.000 0.957 515 S CB -0.807 62.450 63.200 0.094 0.000 0.773 515 S HN 0.835 nan 8.310 nan 0.000 0.507 516 H N 1.084 120.214 119.070 0.101 0.000 2.422 516 H HA -0.010 4.547 4.556 0.003 0.000 0.298 516 H C 0.747 176.183 175.328 0.180 0.000 1.098 516 H CA 1.787 57.902 56.048 0.111 0.000 1.315 516 H CB 0.089 29.906 29.762 0.091 0.000 1.382 516 H HN 0.407 nan 8.280 nan 0.000 0.523 517 H N -2.444 116.648 119.070 0.036 0.000 3.046 517 H HA 0.151 4.709 4.556 0.003 0.000 0.363 517 H C -2.028 173.343 175.328 0.073 0.000 1.203 517 H CA -1.529 54.506 56.048 -0.022 0.000 1.169 517 H CB 2.022 31.759 29.762 -0.042 0.000 1.851 517 H HN -0.034 nan 8.280 nan 0.000 0.546 518 P HA -0.154 nan 4.420 nan 0.000 0.216 518 P C 0.948 178.319 177.300 0.118 0.000 1.153 518 P CA 2.574 65.609 63.100 -0.107 0.000 0.858 518 P CB 0.455 32.008 31.700 -0.245 0.000 0.789 519 S N -4.277 111.621 115.700 0.330 0.000 2.727 519 S HA 0.114 4.586 4.470 0.003 0.000 0.249 519 S C 0.441 175.197 174.600 0.261 0.000 1.079 519 S CA -0.375 57.990 58.200 0.276 0.000 0.912 519 S CB -0.762 62.555 63.200 0.195 0.000 0.861 519 S HN -0.092 nan 8.310 nan 0.000 0.484 520 D N 3.335 123.901 120.400 0.276 0.000 2.571 520 D HA 0.214 4.856 4.640 0.003 0.000 0.231 520 D C 0.455 176.808 176.300 0.089 0.000 1.133 520 D CA 0.482 54.487 54.000 0.009 0.000 0.862 520 D CB 0.362 40.949 40.800 -0.356 0.000 1.179 520 D HN 0.646 nan 8.370 nan 0.000 0.474 521 I N -1.676 118.918 120.570 0.040 0.000 2.783 521 I HA 0.602 4.774 4.170 0.003 0.000 0.312 521 I C 0.211 176.326 176.117 -0.003 0.000 0.988 521 I CA -0.533 60.780 61.300 0.022 0.000 1.182 521 I CB 1.995 39.952 38.000 -0.071 0.000 1.368 521 I HN 0.085 nan 8.210 nan 0.000 0.511 522 T N 1.927 116.479 114.554 -0.004 0.000 2.906 522 T HA 0.474 4.825 4.350 0.003 0.000 0.295 522 T C -0.215 174.447 174.700 -0.063 0.000 1.061 522 T CA -0.405 61.699 62.100 0.007 0.000 1.000 522 T CB 1.515 70.444 68.868 0.102 0.000 1.103 522 T HN 0.966 nan 8.240 nan 0.000 0.486 523 S N 2.986 118.644 115.700 -0.069 0.000 2.655 523 S HA 0.441 4.913 4.470 0.003 0.000 0.265 523 S C 1.572 176.129 174.600 -0.073 0.000 1.240 523 S CA -0.851 57.278 58.200 -0.118 0.000 0.986 523 S CB 0.316 63.456 63.200 -0.101 0.000 0.985 523 S HN 0.658 nan 8.310 nan 0.000 0.562 524 L N 0.064 121.163 121.223 -0.207 0.000 2.179 524 L HA -0.030 4.312 4.340 0.003 0.000 0.208 524 L C 1.977 178.798 176.870 -0.082 0.000 1.096 524 L CA 0.957 55.578 54.840 -0.365 0.000 0.779 524 L CB -0.665 40.691 42.059 -1.171 0.000 0.922 524 L HN 0.632 nan 8.230 nan 0.000 0.443 525 D N 0.199 120.645 120.400 0.077 0.000 2.144 525 D HA -0.197 4.445 4.640 0.003 0.000 0.199 525 D C 2.268 178.638 176.300 0.118 0.000 0.984 525 D CA 1.211 55.344 54.000 0.221 0.000 0.834 525 D CB -0.024 40.879 40.800 0.171 0.000 0.955 525 D HN 0.396 nan 8.370 nan 0.000 0.465 526 Q N -0.915 118.922 119.800 0.062 0.000 2.167 526 Q HA -0.149 4.193 4.340 0.003 0.000 0.202 526 Q C 1.956 177.966 176.000 0.016 0.000 0.970 526 Q CA 0.759 56.575 55.803 0.021 0.000 0.855 526 Q CB -0.097 28.642 28.738 0.001 0.000 0.911 526 Q HN 0.424 nan 8.270 nan 0.000 0.438 527 Y N 0.531 120.800 120.300 -0.052 0.000 2.163 527 Y HA -0.249 4.303 4.550 0.003 0.000 0.288 527 Y C 2.089 177.968 175.900 -0.035 0.000 1.136 527 Y CA 1.231 59.299 58.100 -0.054 0.000 1.147 527 Y CB -0.162 38.272 38.460 -0.045 0.000 0.987 527 Y HN -0.169 nan 8.280 nan 0.000 0.509 528 V N 0.767 120.825 119.914 0.240 0.000 2.282 528 V HA -0.343 3.779 4.120 0.003 0.000 0.249 528 V C 2.302 178.403 176.094 0.011 0.000 1.057 528 V CA 2.361 64.758 62.300 0.161 0.000 1.032 528 V CB -0.812 31.147 31.823 0.226 0.000 0.645 528 V HN 0.450 nan 8.190 nan 0.000 0.447 529 E N 0.346 120.543 120.200 -0.005 0.000 2.153 529 E HA -0.207 4.145 4.350 0.003 0.000 0.194 529 E C 2.227 178.766 176.600 -0.102 0.000 0.988 529 E CA 1.401 57.775 56.400 -0.043 0.000 0.811 529 E CB -0.186 29.494 29.700 -0.032 0.000 0.746 529 E HN 0.501 nan 8.360 nan 0.000 0.466 530 R N -0.627 119.765 120.500 -0.179 0.000 2.276 530 R HA 0.176 4.518 4.340 0.003 0.000 0.196 530 R C 0.383 176.529 176.300 -0.256 0.000 0.961 530 R CA -0.059 55.894 56.100 -0.245 0.000 1.024 530 R CB -0.057 30.023 30.300 -0.366 0.000 0.940 530 R HN 0.264 nan 8.270 nan 0.000 0.480 531 M N 1.453 120.910 119.600 -0.238 0.000 2.252 531 M HA 0.017 4.498 4.480 0.003 0.000 0.333 531 M C 0.387 176.625 176.300 -0.103 0.000 1.111 531 M CA 0.802 56.002 55.300 -0.166 0.000 1.140 531 M CB 0.462 33.021 32.600 -0.068 0.000 1.538 531 M HN -0.141 nan 8.290 nan 0.000 0.448 532 K N 1.592 121.942 120.400 -0.084 0.000 2.276 532 K HA 0.059 4.381 4.320 0.003 0.000 0.259 532 K C 1.396 177.980 176.600 -0.026 0.000 1.001 532 K CA 0.359 56.598 56.287 -0.080 0.000 0.927 532 K CB 0.361 32.791 32.500 -0.116 0.000 0.969 532 K HN 0.767 nan 8.250 nan 0.000 0.490 533 E N 2.294 122.479 120.200 -0.026 0.000 2.171 533 E HA -0.194 4.158 4.350 0.003 0.000 0.197 533 E C 1.130 177.735 176.600 0.009 0.000 0.997 533 E CA 1.560 57.954 56.400 -0.010 0.000 0.810 533 E CB -0.271 29.422 29.700 -0.011 0.000 0.738 533 E HN 0.314 nan 8.360 nan 0.000 0.467 534 K N -0.316 120.101 120.400 0.029 0.000 2.414 534 K HA 0.177 4.499 4.320 0.003 0.000 0.204 534 K C 0.335 176.981 176.600 0.077 0.000 1.026 534 K CA -0.103 56.212 56.287 0.046 0.000 1.108 534 K CB 0.841 33.369 32.500 0.048 0.000 0.855 534 K HN 0.557 nan 8.250 nan 0.000 0.517 535 Q N 1.125 120.986 119.800 0.102 0.000 2.267 535 Q HA 0.060 4.402 4.340 0.003 0.000 0.255 535 Q C -0.588 175.444 176.000 0.052 0.000 0.923 535 Q CA 0.318 56.211 55.803 0.150 0.000 0.925 535 Q CB 0.843 29.742 28.738 0.268 0.000 1.195 535 Q HN -0.003 nan 8.270 nan 0.000 0.417 536 D N 2.522 122.920 120.400 -0.005 0.000 2.500 536 D HA 0.135 4.777 4.640 0.003 0.000 0.217 536 D C -0.672 175.547 176.300 -0.136 0.000 1.159 536 D CA 0.181 54.149 54.000 -0.052 0.000 0.828 536 D CB 0.794 41.570 40.800 -0.041 0.000 1.039 536 D HN 0.346 nan 8.370 nan 0.000 0.512 537 K N 0.909 121.162 120.400 -0.245 0.000 2.207 537 K HA 0.473 4.795 4.320 0.003 0.000 0.255 537 K C -0.035 176.258 176.600 -0.513 0.000 0.941 537 K CA -0.666 55.345 56.287 -0.460 0.000 0.825 537 K CB 2.602 34.649 32.500 -0.756 0.000 1.119 537 K HN -0.088 nan 8.250 nan 0.000 0.430 538 I N 3.589 123.875 120.570 -0.474 0.000 2.301 538 I HA 0.148 4.319 4.170 0.003 0.000 0.292 538 I C -0.445 175.514 176.117 -0.264 0.000 1.046 538 I CA -0.590 60.469 61.300 -0.401 0.000 1.282 538 I CB 0.098 37.631 38.000 -0.777 0.000 1.409 538 I HN 0.365 nan 8.210 nan 0.000 0.484 539 Y N 7.098 127.427 120.300 0.049 0.000 2.304 539 Y HA 0.438 4.989 4.550 0.003 0.000 0.328 539 Y C 0.088 176.043 175.900 0.092 0.000 1.123 539 Y CA -0.443 57.673 58.100 0.028 0.000 1.218 539 Y CB 0.792 39.244 38.460 -0.013 0.000 1.207 539 Y HN 0.432 nan 8.280 nan 0.000 0.495 540 F N 1.366 121.380 119.950 0.106 0.000 2.613 540 F HA 0.776 5.304 4.527 0.002 0.000 0.314 540 F C -1.328 174.515 175.800 0.072 0.000 1.075 540 F CA -1.674 56.339 58.000 0.023 0.000 0.945 540 F CB 1.673 40.625 39.000 -0.080 0.000 1.310 540 F HN 0.299 nan 8.300 nan 0.000 0.467 541 M N 3.396 123.155 119.600 0.266 0.000 2.197 541 M HA 0.800 5.282 4.480 0.003 0.000 0.301 541 M C -1.468 175.015 176.300 0.305 0.000 0.987 541 M CA -0.973 54.465 55.300 0.231 0.000 0.921 541 M CB 1.320 34.129 32.600 0.349 0.000 1.569 541 M HN 0.967 nan 8.290 nan 0.000 0.431 542 A N 3.111 126.066 122.820 0.224 0.000 2.312 542 A HA 1.014 5.336 4.320 0.003 0.000 0.328 542 A C -0.028 177.622 177.584 0.109 0.000 1.158 542 A CA 0.075 52.226 52.037 0.189 0.000 0.821 542 A CB 0.791 19.900 19.000 0.182 0.000 1.170 542 A HN 1.217 nan 8.150 nan 0.000 0.490 543 G N -0.985 107.867 108.800 0.086 0.000 2.506 543 G HA2 0.473 4.435 3.960 0.003 0.000 0.292 543 G HA3 0.473 4.435 3.960 0.003 0.000 0.292 543 G C 0.548 175.468 174.900 0.034 0.000 1.425 543 G CA 0.426 45.552 45.100 0.044 0.000 0.788 543 G HN 1.478 nan 8.290 nan 0.000 0.490 544 S N -1.319 114.389 115.700 0.013 0.000 2.447 544 S HA 0.252 4.723 4.470 0.003 0.000 0.233 544 S C 1.162 175.771 174.600 0.016 0.000 1.006 544 S CA 1.539 59.745 58.200 0.011 0.000 0.957 544 S CB -0.362 62.837 63.200 -0.001 0.000 0.773 544 S HN 2.089 nan 8.310 nan 0.000 0.507 545 S N -0.624 115.082 115.700 0.010 0.000 2.596 545 S HA 0.573 5.044 4.470 0.003 0.000 0.270 545 S C 0.145 174.736 174.600 -0.015 0.000 1.155 545 S CA -0.756 57.447 58.200 0.006 0.000 0.827 545 S CB 1.649 64.845 63.200 -0.006 0.000 1.130 545 S HN 0.225 nan 8.310 nan 0.000 0.467 546 R N 0.830 121.319 120.500 -0.019 0.000 2.075 546 R HA 0.022 4.364 4.340 0.003 0.000 0.232 546 R C 2.393 178.595 176.300 -0.165 0.000 1.126 546 R CA 2.248 58.298 56.100 -0.084 0.000 0.963 546 R CB -1.135 29.149 30.300 -0.027 0.000 0.858 546 R HN 0.791 nan 8.270 nan 0.000 0.435 547 K N 1.372 121.715 120.400 -0.094 0.000 2.020 547 K HA -0.246 4.075 4.320 0.003 0.000 0.212 547 K C 1.894 178.434 176.600 -0.100 0.000 1.050 547 K CA 1.955 58.188 56.287 -0.090 0.000 0.929 547 K CB -1.159 31.312 32.500 -0.049 0.000 0.714 547 K HN 0.670 nan 8.250 nan 0.000 0.443 548 E N -0.305 119.852 120.200 -0.072 0.000 2.058 548 E HA -0.149 4.203 4.350 0.003 0.000 0.194 548 E C 2.317 178.875 176.600 -0.069 0.000 0.997 548 E CA 1.228 57.595 56.400 -0.055 0.000 0.801 548 E CB -0.277 29.406 29.700 -0.028 0.000 0.746 548 E HN 0.534 nan 8.360 nan 0.000 0.450 549 A N 1.430 124.186 122.820 -0.106 0.000 1.933 549 A HA -0.231 4.090 4.320 0.003 0.000 0.218 549 A C 1.974 179.404 177.584 -0.257 0.000 1.175 549 A CA 1.797 53.764 52.037 -0.116 0.000 0.628 549 A CB -0.639 18.304 19.000 -0.096 0.000 0.814 549 A HN 0.595 nan 8.150 nan 0.000 0.444 550 E N -0.116 119.801 120.200 -0.472 0.000 2.371 550 E HA -0.046 4.306 4.350 0.003 0.000 0.194 550 E C 1.344 177.883 176.600 -0.102 0.000 1.012 550 E CA 1.057 57.215 56.400 -0.405 0.000 0.860 550 E CB -0.233 29.183 29.700 -0.473 0.000 0.811 550 E HN 0.581 nan 8.360 nan 0.000 0.502 551 S N 0.314 115.958 115.700 -0.093 0.000 2.582 551 S HA 0.143 4.615 4.470 0.003 0.000 0.234 551 S C 0.530 175.097 174.600 -0.054 0.000 0.961 551 S CA -0.550 57.619 58.200 -0.052 0.000 0.953 551 S CB 0.456 63.625 63.200 -0.052 0.000 0.800 551 S HN 0.132 nan 8.310 nan 0.000 0.471 552 S N 2.431 118.107 115.700 -0.041 0.000 2.585 552 S HA 0.340 4.811 4.470 0.003 0.000 0.273 552 S C -1.628 172.889 174.600 -0.139 0.000 1.339 552 S CA -1.241 56.916 58.200 -0.072 0.000 1.028 552 S CB 0.733 63.967 63.200 0.057 0.000 0.906 552 S HN 0.135 nan 8.310 nan 0.000 0.528 553 P HA 0.005 nan 4.420 nan 0.000 0.220 553 P C 0.679 177.825 177.300 -0.257 0.000 1.148 553 P CA 1.193 64.084 63.100 -0.349 0.000 0.803 553 P CB -0.044 31.328 31.700 -0.546 0.000 0.782 554 F N -0.616 119.345 119.950 0.019 0.000 2.365 554 F HA -0.087 4.442 4.527 0.003 0.000 0.300 554 F C 1.941 177.750 175.800 0.014 0.000 1.090 554 F CA 0.528 58.535 58.000 0.012 0.000 1.408 554 F CB -0.821 38.183 39.000 0.007 0.000 1.060 554 F HN -0.165 nan 8.300 nan 0.000 0.534 555 V N -3.376 116.649 119.914 0.185 0.000 3.647 555 V HA 0.104 4.226 4.120 0.003 0.000 0.279 555 V C 1.460 177.622 176.094 0.113 0.000 1.314 555 V CA 0.242 62.633 62.300 0.151 0.000 1.125 555 V CB -0.406 31.549 31.823 0.221 0.000 0.907 555 V HN 0.237 nan 8.190 nan 0.000 0.434 556 E N 0.730 120.974 120.200 0.073 0.000 2.033 556 E HA -0.206 4.146 4.350 0.003 0.000 0.199 556 E C 2.358 178.992 176.600 0.056 0.000 1.011 556 E CA 1.766 58.193 56.400 0.044 0.000 0.815 556 E CB -0.151 29.547 29.700 -0.003 0.000 0.755 556 E HN 0.406 nan 8.360 nan 0.000 0.451 557 R N 0.372 120.904 120.500 0.054 0.000 2.062 557 R HA -0.089 4.252 4.340 0.003 0.000 0.231 557 R C 2.419 178.839 176.300 0.199 0.000 1.136 557 R CA 0.705 56.834 56.100 0.048 0.000 0.948 557 R CB -0.884 29.348 30.300 -0.113 0.000 0.845 557 R HN 0.188 nan 8.270 nan 0.000 0.430 558 L N 1.234 122.621 121.223 0.273 0.000 2.010 558 L HA -0.237 4.104 4.340 0.003 0.000 0.219 558 L C 2.521 179.562 176.870 0.285 0.000 1.077 558 L CA 1.704 56.701 54.840 0.261 0.000 0.773 558 L CB -1.463 40.553 42.059 -0.072 0.000 0.892 558 L HN 0.214 nan 8.230 nan 0.000 0.436 559 L N -0.799 120.532 121.223 0.180 0.000 2.046 559 L HA -0.262 4.079 4.340 0.003 0.000 0.208 559 L C 2.650 179.595 176.870 0.125 0.000 1.077 559 L CA 1.450 56.381 54.840 0.152 0.000 0.747 559 L CB -0.509 41.631 42.059 0.135 0.000 0.896 559 L HN 0.320 nan 8.230 nan 0.000 0.432 560 K N 0.784 121.251 120.400 0.111 0.000 2.026 560 K HA -0.174 4.148 4.320 0.003 0.000 0.208 560 K C 1.880 178.529 176.600 0.081 0.000 1.048 560 K CA 1.375 57.707 56.287 0.075 0.000 0.929 560 K CB 0.076 32.603 32.500 0.046 0.000 0.713 560 K HN 0.166 nan 8.250 nan 0.000 0.439 561 K N -0.622 119.865 120.400 0.146 0.000 2.555 561 K HA 0.011 4.333 4.320 0.003 0.000 0.193 561 K C 0.587 177.195 176.600 0.014 0.000 1.032 561 K CA 0.650 57.023 56.287 0.144 0.000 1.004 561 K CB 0.249 32.955 32.500 0.342 0.000 0.804 561 K HN 0.524 nan 8.250 nan 0.000 0.496 562 G N 1.115 109.933 108.800 0.031 0.000 2.149 562 G HA2 -0.277 3.684 3.960 0.003 0.000 0.235 562 G HA3 -0.277 3.684 3.960 0.003 0.000 0.235 562 G C -0.339 174.475 174.900 -0.145 0.000 1.018 562 G CA -0.229 44.835 45.100 -0.060 0.000 0.728 562 G HN 0.253 nan 8.290 nan 0.000 0.508 563 Y N 0.104 120.426 120.300 0.037 0.000 2.300 563 Y HA 0.540 5.091 4.550 0.003 0.000 0.328 563 Y C 0.903 176.824 175.900 0.035 0.000 1.270 563 Y CA -0.108 58.011 58.100 0.031 0.000 1.352 563 Y CB 0.852 39.317 38.460 0.008 0.000 1.286 563 Y HN 0.275 nan 8.280 nan 0.000 0.536 564 E N 0.984 121.295 120.200 0.185 0.000 2.179 564 E HA 0.556 4.908 4.350 0.003 0.000 0.275 564 E C -1.848 174.941 176.600 0.315 0.000 0.945 564 E CA -0.654 55.833 56.400 0.144 0.000 0.792 564 E CB 1.200 30.855 29.700 -0.074 0.000 1.125 564 E HN 0.407 nan 8.360 nan 0.000 0.397 565 V N 6.168 126.161 119.914 0.131 0.000 2.378 565 V HA 0.296 4.418 4.120 0.003 0.000 0.288 565 V C 0.271 176.215 176.094 -0.250 0.000 1.016 565 V CA -0.690 61.632 62.300 0.037 0.000 0.840 565 V CB 1.247 33.068 31.823 -0.004 0.000 0.994 565 V HN 0.753 nan 8.190 nan 0.000 0.431 566 I N 4.952 125.478 120.570 -0.074 0.000 2.648 566 I HA 0.135 4.307 4.170 0.003 0.000 0.284 566 I C -0.575 175.462 176.117 -0.133 0.000 1.153 566 I CA 0.320 61.534 61.300 -0.144 0.000 1.426 566 I CB 0.396 38.274 38.000 -0.203 0.000 1.381 566 I HN 0.531 nan 8.210 nan 0.000 0.571 567 Y N 6.546 126.925 120.300 0.132 0.000 2.342 567 Y HA 0.449 5.001 4.550 0.003 0.000 0.338 567 Y C -0.193 175.772 175.900 0.109 0.000 0.965 567 Y CA -0.958 57.220 58.100 0.130 0.000 1.159 567 Y CB 1.034 39.577 38.460 0.138 0.000 1.157 567 Y HN 0.280 nan 8.280 nan 0.000 0.486 568 L N 4.176 125.545 121.223 0.244 0.000 2.276 568 L HA 0.295 4.637 4.340 0.003 0.000 0.286 568 L C 0.705 177.672 176.870 0.162 0.000 1.024 568 L CA -0.264 54.666 54.840 0.150 0.000 0.826 568 L CB 1.295 43.362 42.059 0.013 0.000 1.211 568 L HN 0.777 nan 8.230 nan 0.000 0.422 569 T N -2.735 111.922 114.554 0.173 0.000 3.010 569 T HA 0.209 4.561 4.350 0.003 0.000 0.257 569 T C 0.500 175.258 174.700 0.097 0.000 1.020 569 T CA -0.334 61.839 62.100 0.123 0.000 0.938 569 T CB 0.373 69.311 68.868 0.116 0.000 1.049 569 T HN 0.299 nan 8.240 nan 0.000 0.522 570 E N 2.169 122.437 120.200 0.113 0.000 2.214 570 E HA 0.332 4.683 4.350 0.003 0.000 0.274 570 E C -2.059 174.584 176.600 0.073 0.000 0.977 570 E CA -2.888 53.560 56.400 0.080 0.000 0.827 570 E CB 1.575 31.324 29.700 0.082 0.000 1.130 570 E HN -0.009 nan 8.360 nan 0.000 0.394 571 P HA -0.153 nan 4.420 nan 0.000 0.216 571 P C 1.474 178.828 177.300 0.090 0.000 1.150 571 P CA 0.652 63.783 63.100 0.052 0.000 0.837 571 P CB 0.303 32.009 31.700 0.010 0.000 0.786 572 V N 0.233 120.179 119.914 0.054 0.000 2.626 572 V HA -0.216 3.906 4.120 0.003 0.000 0.252 572 V C 1.557 177.734 176.094 0.139 0.000 1.067 572 V CA 2.059 64.398 62.300 0.065 0.000 1.081 572 V CB -1.113 30.718 31.823 0.013 0.000 0.686 572 V HN 0.022 nan 8.190 nan 0.000 0.468 573 D N -0.009 120.468 120.400 0.127 0.000 2.149 573 D HA -0.279 4.362 4.640 0.003 0.000 0.194 573 D C 2.030 178.312 176.300 -0.029 0.000 1.001 573 D CA 2.073 56.136 54.000 0.105 0.000 0.849 573 D CB -0.133 40.733 40.800 0.111 0.000 0.939 573 D HN 0.684 nan 8.370 nan 0.000 0.449 574 E N -0.769 119.431 120.200 -0.001 0.000 2.072 574 E HA -0.151 4.200 4.350 0.003 0.000 0.191 574 E C 2.007 178.529 176.600 -0.131 0.000 0.985 574 E CA 0.612 56.944 56.400 -0.113 0.000 0.801 574 E CB -0.095 29.550 29.700 -0.092 0.000 0.750 574 E HN 0.377 nan 8.360 nan 0.000 0.452 575 Y N -0.410 119.839 120.300 -0.084 0.000 2.274 575 Y HA -0.274 4.277 4.550 0.002 0.000 0.290 575 Y C 2.667 178.517 175.900 -0.083 0.000 1.145 575 Y CA 0.932 58.992 58.100 -0.065 0.000 1.203 575 Y CB -0.427 38.008 38.460 -0.042 0.000 0.984 575 Y HN 0.314 nan 8.280 nan 0.000 0.533 576 C N 0.029 119.369 119.300 0.067 0.000 2.453 576 C HA -0.142 4.319 4.460 0.003 0.000 0.277 576 C C 2.553 177.453 174.990 -0.150 0.000 1.262 576 C CA 0.819 59.837 59.018 -0.000 0.000 1.718 576 C CB -1.261 26.522 27.740 0.071 0.000 2.031 576 C HN 0.489 nan 8.230 nan 0.000 0.480 577 I N 0.559 120.931 120.570 -0.330 0.000 2.353 577 I HA -0.119 4.053 4.170 0.003 0.000 0.248 577 I C 2.502 178.340 176.117 -0.466 0.000 1.119 577 I CA 1.431 62.331 61.300 -0.666 0.000 1.417 577 I CB -1.657 35.702 38.000 -1.068 0.000 1.078 577 I HN 0.543 nan 8.210 nan 0.000 0.421 578 Q N 0.441 120.080 119.800 -0.269 0.000 2.437 578 Q HA -0.026 4.315 4.340 0.003 0.000 0.210 578 Q C 1.875 177.830 176.000 -0.074 0.000 0.972 578 Q CA 1.094 56.814 55.803 -0.138 0.000 0.903 578 Q CB 0.167 28.823 28.738 -0.137 0.000 0.967 578 Q HN 0.491 nan 8.270 nan 0.000 0.486 579 A N -0.430 122.346 122.820 -0.074 0.000 2.303 579 A HA 0.162 4.483 4.320 0.003 0.000 0.217 579 A C 0.244 177.819 177.584 -0.014 0.000 1.205 579 A CA -0.196 51.831 52.037 -0.016 0.000 0.875 579 A CB 0.507 19.515 19.000 0.014 0.000 0.910 579 A HN 0.281 nan 8.150 nan 0.000 0.501 580 L N 0.932 122.113 121.223 -0.071 0.000 2.313 580 L HA 0.490 4.832 4.340 0.003 0.000 0.273 580 L C -2.112 174.796 176.870 0.065 0.000 1.028 580 L CA -1.950 52.885 54.840 -0.009 0.000 0.871 580 L CB 1.441 43.454 42.059 -0.077 0.000 1.242 580 L HN -0.065 nan 8.230 nan 0.000 0.434 581 P HA 0.090 nan 4.420 nan 0.000 0.226 581 P C -0.252 177.194 177.300 0.244 0.000 1.153 581 P CA 1.135 64.329 63.100 0.157 0.000 0.777 581 P CB 0.236 31.996 31.700 0.101 0.000 0.794 582 E N -1.140 119.233 120.200 0.288 0.000 2.388 582 E HA 0.567 4.919 4.350 0.003 0.000 0.281 582 E C -2.081 174.703 176.600 0.306 0.000 1.046 582 E CA -0.812 55.733 56.400 0.240 0.000 0.825 582 E CB 0.524 30.284 29.700 0.100 0.000 1.243 582 E HN -0.020 nan 8.360 nan 0.000 0.438 583 F N 2.102 122.072 119.950 0.033 0.000 2.612 583 F HA 0.529 5.058 4.527 0.003 0.000 0.332 583 F C 0.159 175.937 175.800 -0.036 0.000 1.167 583 F CA -0.462 57.558 58.000 0.033 0.000 0.970 583 F CB 1.838 40.879 39.000 0.068 0.000 1.234 583 F HN 0.792 nan 8.300 nan 0.000 0.453 584 D N 4.762 124.834 120.400 -0.547 0.000 2.689 584 D HA -0.161 4.481 4.640 0.003 0.000 0.237 584 D C 1.116 177.322 176.300 -0.156 0.000 1.148 584 D CA 2.011 55.776 54.000 -0.392 0.000 0.656 584 D CB -0.952 39.583 40.800 -0.442 0.000 1.050 584 D HN 1.397 nan 8.370 nan 0.000 0.426 585 G N -0.587 108.148 108.800 -0.109 0.000 2.184 585 G HA2 -0.340 3.622 3.960 0.003 0.000 0.264 585 G HA3 -0.340 3.622 3.960 0.003 0.000 0.264 585 G C 0.161 175.029 174.900 -0.053 0.000 0.975 585 G CA 0.705 45.767 45.100 -0.062 0.000 0.642 585 G HN 0.461 nan 8.290 nan 0.000 0.536 586 K N 0.896 121.256 120.400 -0.067 0.000 2.213 586 K HA 0.733 5.055 4.320 0.003 0.000 0.270 586 K C 0.582 177.070 176.600 -0.187 0.000 1.002 586 K CA 0.088 56.306 56.287 -0.117 0.000 0.868 586 K CB 1.291 33.717 32.500 -0.123 0.000 1.093 586 K HN 0.677 nan 8.250 nan 0.000 0.454 587 R N 2.434 122.843 120.500 -0.152 0.000 2.560 587 R HA 0.520 4.862 4.340 0.003 0.000 0.270 587 R C -0.294 175.881 176.300 -0.209 0.000 1.074 587 R CA -0.136 55.913 56.100 -0.085 0.000 1.140 587 R CB -0.047 30.248 30.300 -0.008 0.000 1.073 587 R HN 0.516 nan 8.270 nan 0.000 0.527 588 F N 0.034 119.981 119.950 -0.003 0.000 2.397 588 F HA 0.462 4.991 4.527 0.003 0.000 0.331 588 F C 0.726 176.561 175.800 0.059 0.000 1.090 588 F CA -0.048 57.975 58.000 0.039 0.000 1.065 588 F CB 2.344 41.400 39.000 0.093 0.000 1.184 588 F HN 0.606 nan 8.300 nan 0.000 0.499 589 Q N 2.644 122.534 119.800 0.149 0.000 2.285 589 Q HA 0.272 4.613 4.340 0.003 0.000 0.269 589 Q C -1.390 174.359 176.000 -0.418 0.000 1.030 589 Q CA -0.769 54.989 55.803 -0.075 0.000 0.788 589 Q CB 1.455 30.084 28.738 -0.183 0.000 1.266 589 Q HN 0.511 nan 8.270 nan 0.000 0.438 590 N N 3.228 121.510 118.700 -0.697 0.000 2.422 590 N HA 0.067 4.809 4.740 0.003 0.000 0.264 590 N C 0.871 176.080 175.510 -0.501 0.000 1.063 590 N CA 0.184 52.568 53.050 -1.110 0.000 0.959 590 N CB 1.552 39.551 38.487 -0.813 0.000 1.087 590 N HN 0.627 nan 8.380 nan 0.000 0.483 591 V N 2.508 122.186 119.914 -0.394 0.000 2.720 591 V HA -0.078 4.043 4.120 0.003 0.000 0.256 591 V C 1.767 177.592 176.094 -0.449 0.000 1.082 591 V CA 1.855 64.014 62.300 -0.235 0.000 1.101 591 V CB -1.178 30.598 31.823 -0.078 0.000 0.693 591 V HN 0.606 nan 8.190 nan 0.000 0.479 592 A N -0.220 122.183 122.820 -0.695 0.000 2.209 592 A HA 0.155 4.476 4.320 0.003 0.000 0.212 592 A C 1.210 178.399 177.584 -0.658 0.000 1.158 592 A CA 0.611 51.887 52.037 -1.268 0.000 0.742 592 A CB -0.270 18.199 19.000 -0.885 0.000 0.790 592 A HN 0.698 nan 8.150 nan 0.000 0.472 593 K N -0.055 120.113 120.400 -0.387 0.000 2.306 593 K HA 0.404 4.725 4.320 0.003 0.000 0.236 593 K C -0.725 175.783 176.600 -0.154 0.000 1.013 593 K CA -0.775 55.386 56.287 -0.211 0.000 0.857 593 K CB 1.324 33.726 32.500 -0.163 0.000 1.214 593 K HN 0.241 nan 8.250 nan 0.000 0.449 594 E N -0.108 120.022 120.200 -0.115 0.000 2.465 594 E HA 0.066 4.417 4.350 0.003 0.000 0.260 594 E C 0.554 177.092 176.600 -0.103 0.000 0.980 594 E CA 0.833 57.178 56.400 -0.092 0.000 0.927 594 E CB 0.363 30.003 29.700 -0.099 0.000 0.934 594 E HN 0.864 nan 8.360 nan 0.000 0.459 595 G N 1.856 110.614 108.800 -0.071 0.000 2.370 595 G HA2 -0.189 3.772 3.960 0.003 0.000 0.174 595 G HA3 -0.189 3.772 3.960 0.003 0.000 0.174 595 G C -0.049 174.829 174.900 -0.036 0.000 1.002 595 G CA -0.458 44.605 45.100 -0.062 0.000 0.730 595 G HN 0.417 nan 8.290 nan 0.000 0.497 596 V N 1.998 121.886 119.914 -0.044 0.000 2.508 596 V HA 0.453 4.574 4.120 0.003 0.000 0.281 596 V C 0.495 176.461 176.094 -0.213 0.000 1.041 596 V CA 0.245 62.477 62.300 -0.114 0.000 1.016 596 V CB 1.213 32.899 31.823 -0.229 0.000 0.984 596 V HN 0.302 nan 8.190 nan 0.000 0.478 597 K N 4.340 124.543 120.400 -0.328 0.000 2.221 597 K HA 0.755 5.077 4.320 0.003 0.000 0.243 597 K C -1.447 174.764 176.600 -0.649 0.000 0.968 597 K CA -0.477 55.640 56.287 -0.284 0.000 0.846 597 K CB 2.121 34.559 32.500 -0.105 0.000 1.141 597 K HN 0.444 nan 8.250 nan 0.000 0.434 598 F N 1.373 121.306 119.950 -0.027 0.000 2.573 598 F HA 0.114 4.643 4.527 0.002 0.000 0.316 598 F C -0.216 175.621 175.800 0.063 0.000 1.148 598 F CA -1.292 56.717 58.000 0.014 0.000 0.940 598 F CB 1.436 40.437 39.000 0.002 0.000 1.214 598 F HN 0.542 nan 8.300 nan 0.000 0.448 599 D N 1.732 122.292 120.400 0.266 0.000 2.443 599 D HA 0.060 4.701 4.640 0.003 0.000 0.239 599 D C -0.637 175.762 176.300 0.165 0.000 1.136 599 D CA 0.070 54.176 54.000 0.177 0.000 0.879 599 D CB 1.683 42.573 40.800 0.149 0.000 1.195 599 D HN 0.688 nan 8.370 nan 0.000 0.443 600 E N 0.379 120.645 120.200 0.110 0.000 2.263 600 E HA 0.286 4.637 4.350 0.003 0.000 0.268 600 E C -0.798 175.834 176.600 0.054 0.000 0.884 600 E CA -0.765 55.684 56.400 0.082 0.000 0.766 600 E CB 1.380 31.125 29.700 0.075 0.000 1.196 600 E HN 0.573 nan 8.360 nan 0.000 0.416 601 S N 3.023 118.749 115.700 0.042 0.000 2.585 601 S HA 0.102 4.573 4.470 0.003 0.000 0.273 601 S C 1.020 175.635 174.600 0.024 0.000 1.339 601 S CA -0.592 57.626 58.200 0.030 0.000 1.028 601 S CB 1.185 64.399 63.200 0.023 0.000 0.906 601 S HN 0.559 nan 8.310 nan 0.000 0.528 602 E N 2.166 122.378 120.200 0.021 0.000 2.160 602 E HA -0.173 4.179 4.350 0.003 0.000 0.195 602 E C 2.503 179.112 176.600 0.014 0.000 0.991 602 E CA 1.896 58.307 56.400 0.017 0.000 0.810 602 E CB -0.934 28.776 29.700 0.015 0.000 0.742 602 E HN 0.887 nan 8.360 nan 0.000 0.466 603 K N 0.907 121.314 120.400 0.012 0.000 2.026 603 K HA -0.097 4.224 4.320 0.003 0.000 0.208 603 K C 2.299 178.903 176.600 0.006 0.000 1.048 603 K CA 1.860 58.152 56.287 0.008 0.000 0.929 603 K CB -1.405 31.099 32.500 0.007 0.000 0.713 603 K HN 0.173 nan 8.250 nan 0.000 0.439 604 T N 0.269 114.826 114.554 0.006 0.000 2.812 604 T HA -0.075 4.277 4.350 0.003 0.000 0.264 604 T C 2.079 176.779 174.700 0.000 0.000 1.042 604 T CA 1.338 63.437 62.100 -0.001 0.000 1.140 604 T CB -0.126 68.740 68.868 -0.003 0.000 0.870 604 T HN 0.568 nan 8.240 nan 0.000 0.445 605 K N 1.133 121.539 120.400 0.010 0.000 2.044 605 K HA -0.197 4.125 4.320 0.003 0.000 0.210 605 K C 2.212 178.819 176.600 0.011 0.000 1.049 605 K CA 1.701 57.996 56.287 0.014 0.000 0.927 605 K CB -0.053 32.460 32.500 0.021 0.000 0.713 605 K HN 0.419 nan 8.250 nan 0.000 0.443 606 E N -0.237 119.970 120.200 0.011 0.000 2.106 606 E HA -0.140 4.212 4.350 0.003 0.000 0.192 606 E C 2.029 178.635 176.600 0.012 0.000 0.984 606 E CA 1.089 57.497 56.400 0.012 0.000 0.806 606 E CB -0.028 29.679 29.700 0.012 0.000 0.750 606 E HN 0.230 nan 8.360 nan 0.000 0.458 607 S N 0.793 116.497 115.700 0.007 0.000 2.383 607 S HA -0.222 4.249 4.470 0.003 0.000 0.229 607 S C 2.048 176.651 174.600 0.005 0.000 1.030 607 S CA 1.446 59.649 58.200 0.006 0.000 1.002 607 S CB -0.064 63.135 63.200 -0.002 0.000 0.829 607 S HN 0.176 nan 8.310 nan 0.000 0.467 608 R N 0.510 121.008 120.500 -0.004 0.000 2.075 608 R HA -0.033 4.309 4.340 0.003 0.000 0.232 608 R C 2.188 178.493 176.300 0.009 0.000 1.126 608 R CA 1.722 57.816 56.100 -0.010 0.000 0.963 608 R CB -0.312 29.976 30.300 -0.019 0.000 0.858 608 R HN 0.528 nan 8.270 nan 0.000 0.435 609 E N 0.008 120.217 120.200 0.015 0.000 2.118 609 E HA -0.196 4.156 4.350 0.003 0.000 0.195 609 E C 1.871 178.492 176.600 0.035 0.000 0.992 609 E CA 1.283 57.697 56.400 0.024 0.000 0.804 609 E CB -0.096 29.616 29.700 0.021 0.000 0.741 609 E HN 0.492 nan 8.360 nan 0.000 0.458 610 A N 0.990 123.832 122.820 0.036 0.000 2.014 610 A HA -0.105 4.216 4.320 0.003 0.000 0.218 610 A C 2.086 179.718 177.584 0.081 0.000 1.163 610 A CA 0.661 52.726 52.037 0.048 0.000 0.652 610 A CB -0.167 18.856 19.000 0.038 0.000 0.808 610 A HN 0.104 nan 8.150 nan 0.000 0.449 611 I N 0.195 120.815 120.570 0.083 0.000 2.286 611 I HA -0.167 4.005 4.170 0.003 0.000 0.245 611 I C 2.228 178.458 176.117 0.188 0.000 1.104 611 I CA 1.371 62.756 61.300 0.141 0.000 1.397 611 I CB -1.297 36.719 38.000 0.027 0.000 1.072 611 I HN 0.472 nan 8.210 nan 0.000 0.417 612 E N 0.597 120.856 120.200 0.100 0.000 2.106 612 E HA -0.225 4.127 4.350 0.003 0.000 0.192 612 E C 2.034 178.707 176.600 0.122 0.000 0.984 612 E CA 1.082 57.543 56.400 0.101 0.000 0.806 612 E CB 0.060 29.791 29.700 0.052 0.000 0.750 612 E HN 0.311 nan 8.360 nan 0.000 0.458 613 K N 0.894 121.351 120.400 0.096 0.000 2.103 613 K HA -0.106 4.216 4.320 0.003 0.000 0.204 613 K C 1.934 178.577 176.600 0.072 0.000 1.052 613 K CA 0.825 57.155 56.287 0.072 0.000 0.945 613 K CB 0.021 32.548 32.500 0.046 0.000 0.722 613 K HN 0.074 nan 8.250 nan 0.000 0.443 614 E N -0.435 119.823 120.200 0.098 0.000 2.106 614 E HA -0.145 4.206 4.350 0.003 0.000 0.192 614 E C 0.913 177.479 176.600 -0.056 0.000 0.984 614 E CA 1.042 57.457 56.400 0.026 0.000 0.806 614 E CB 0.020 29.755 29.700 0.058 0.000 0.750 614 E HN 0.261 nan 8.360 nan 0.000 0.458 615 F N 1.022 120.981 119.950 0.014 0.000 2.797 615 F HA 0.116 4.645 4.527 0.003 0.000 0.302 615 F C 2.075 177.899 175.800 0.039 0.000 1.130 615 F CA 0.375 58.389 58.000 0.024 0.000 1.387 615 F CB 0.086 39.100 39.000 0.024 0.000 1.107 615 F HN 0.090 nan 8.300 nan 0.000 0.577 616 E N 1.513 121.804 120.200 0.151 0.000 2.070 616 E HA -0.226 4.126 4.350 0.003 0.000 0.197 616 E C -0.557 176.102 176.600 0.098 0.000 1.004 616 E CA 1.610 58.077 56.400 0.111 0.000 0.805 616 E CB -0.876 28.868 29.700 0.075 0.000 0.744 616 E HN 0.177 nan 8.360 nan 0.000 0.451 617 P HA -0.181 nan 4.420 nan 0.000 0.216 617 P C 1.614 178.979 177.300 0.109 0.000 1.150 617 P CA 0.978 64.106 63.100 0.048 0.000 0.837 617 P CB -0.072 31.610 31.700 -0.030 0.000 0.786 618 L N -0.911 120.383 121.223 0.119 0.000 2.131 618 L HA -0.014 4.327 4.340 0.003 0.000 0.206 618 L C 2.486 179.553 176.870 0.329 0.000 1.087 618 L CA 1.393 56.375 54.840 0.236 0.000 0.767 618 L CB -1.254 40.944 42.059 0.231 0.000 0.917 618 L HN -0.202 nan 8.230 nan 0.000 0.441 619 L N -0.559 120.813 121.223 0.248 0.000 2.056 619 L HA -0.146 4.196 4.340 0.003 0.000 0.207 619 L C 2.164 179.132 176.870 0.164 0.000 1.078 619 L CA 0.975 55.937 54.840 0.203 0.000 0.749 619 L CB -0.800 41.354 42.059 0.158 0.000 0.901 619 L HN 0.293 nan 8.230 nan 0.000 0.433 620 N N -0.678 118.116 118.700 0.157 0.000 2.216 620 N HA -0.203 4.538 4.740 0.003 0.000 0.183 620 N C 1.421 177.021 175.510 0.150 0.000 1.017 620 N CA 0.965 54.088 53.050 0.122 0.000 0.861 620 N CB -0.339 38.209 38.487 0.102 0.000 0.986 620 N HN 0.411 nan 8.380 nan 0.000 0.428 621 W N 1.474 122.786 121.300 0.021 0.000 2.358 621 W HA -0.017 4.644 4.660 0.002 0.000 0.303 621 W C 2.044 178.565 176.519 0.004 0.000 1.208 621 W CA 1.261 58.612 57.345 0.011 0.000 1.274 621 W CB -0.303 29.167 29.460 0.017 0.000 1.138 621 W HN -0.045 nan 8.180 nan 0.000 0.515 622 M N 0.448 120.037 119.600 -0.017 0.000 2.067 622 M HA -0.202 4.280 4.480 0.003 0.000 0.260 622 M C 2.190 178.332 176.300 -0.263 0.000 1.069 622 M CA 2.191 57.335 55.300 -0.261 0.000 1.117 622 M CB -0.692 31.929 32.600 0.034 0.000 1.334 622 M HN -0.156 nan 8.290 nan 0.000 0.407 623 K N 0.703 121.036 120.400 -0.112 0.000 2.057 623 K HA -0.148 4.174 4.320 0.003 0.000 0.207 623 K C 1.120 177.640 176.600 -0.134 0.000 1.049 623 K CA 1.727 57.948 56.287 -0.111 0.000 0.931 623 K CB -0.213 32.266 32.500 -0.034 0.000 0.714 623 K HN 0.251 nan 8.250 nan 0.000 0.440 624 D N -0.539 119.793 120.400 -0.114 0.000 2.333 624 D HA -0.002 4.640 4.640 0.003 0.000 0.208 624 D C 1.115 177.329 176.300 -0.144 0.000 0.984 624 D CA 0.912 54.853 54.000 -0.098 0.000 0.873 624 D CB 0.435 41.215 40.800 -0.034 0.000 0.935 624 D HN 0.579 nan 8.370 nan 0.000 0.521 625 K N -1.077 119.166 120.400 -0.262 0.000 3.080 625 K HA 0.338 4.660 4.320 0.003 0.000 0.200 625 K C 1.980 178.314 176.600 -0.443 0.000 1.741 625 K CA 0.226 56.338 56.287 -0.292 0.000 1.386 625 K CB -0.191 32.196 32.500 -0.189 0.000 2.059 625 K HN -0.116 nan 8.250 nan 0.000 0.612 626 A N 1.742 124.064 122.820 -0.831 0.000 1.908 626 A HA 0.038 4.360 4.320 0.003 0.000 0.218 626 A C 1.747 178.986 177.584 -0.573 0.000 1.181 626 A CA 1.439 52.919 52.037 -0.927 0.000 0.627 626 A CB -0.528 17.326 19.000 -1.910 0.000 0.818 626 A HN 0.314 nan 8.150 nan 0.000 0.445 627 L N -0.270 120.623 121.223 -0.550 0.000 3.267 627 L HA 0.129 4.471 4.340 0.003 0.000 0.289 627 L C -0.037 176.587 176.870 -0.411 0.000 1.260 627 L CA -0.531 53.998 54.840 -0.519 0.000 1.034 627 L CB 0.174 41.812 42.059 -0.703 0.000 1.413 627 L HN 0.365 nan 8.230 nan 0.000 0.594 628 K N -0.509 119.700 120.400 -0.317 0.000 2.530 628 K HA -0.081 4.241 4.320 0.003 0.000 0.280 628 K C -0.262 176.221 176.600 -0.195 0.000 1.004 628 K CA 0.271 56.423 56.287 -0.224 0.000 1.071 628 K CB 0.334 32.729 32.500 -0.176 0.000 0.876 628 K HN 0.056 nan 8.250 nan 0.000 0.487 629 D N 1.049 121.352 120.400 -0.161 0.000 2.978 629 D HA -0.146 4.496 4.640 0.003 0.000 0.205 629 D C 0.378 176.590 176.300 -0.147 0.000 1.093 629 D CA 1.365 55.289 54.000 -0.127 0.000 1.006 629 D CB -0.491 40.254 40.800 -0.092 0.000 1.116 629 D HN 0.689 nan 8.370 nan 0.000 0.419 630 K N -0.025 120.229 120.400 -0.243 0.000 2.276 630 K HA 0.284 4.605 4.320 0.003 0.000 0.198 630 K C 1.425 177.851 176.600 -0.291 0.000 1.052 630 K CA 0.431 56.538 56.287 -0.300 0.000 0.984 630 K CB 0.812 32.942 32.500 -0.618 0.000 0.836 630 K HN 0.563 nan 8.250 nan 0.000 0.490 631 I N -2.415 117.972 120.570 -0.304 0.000 2.740 631 I HA 0.311 4.482 4.170 0.003 0.000 0.303 631 I C 0.686 176.745 176.117 -0.097 0.000 1.044 631 I CA -0.737 60.448 61.300 -0.193 0.000 1.064 631 I CB 2.240 40.093 38.000 -0.244 0.000 1.249 631 I HN -0.138 nan 8.210 nan 0.000 0.433 632 E N 2.683 122.861 120.200 -0.037 0.000 2.046 632 E HA -0.049 4.302 4.350 0.003 0.000 0.190 632 E C -0.268 176.323 176.600 -0.015 0.000 0.982 632 E CA 1.154 57.540 56.400 -0.023 0.000 0.800 632 E CB 0.113 29.810 29.700 -0.005 0.000 0.756 632 E HN 0.665 nan 8.360 nan 0.000 0.449 633 K N -1.266 119.139 120.400 0.009 0.000 2.625 633 K HA 0.617 4.939 4.320 0.003 0.000 0.284 633 K C -1.781 174.862 176.600 0.072 0.000 0.984 633 K CA -0.824 55.478 56.287 0.025 0.000 0.865 633 K CB 1.456 33.970 32.500 0.023 0.000 1.468 633 K HN -0.038 nan 8.250 nan 0.000 0.407 634 A N 1.433 124.304 122.820 0.085 0.000 2.287 634 A HA 0.671 4.992 4.320 0.003 0.000 0.317 634 A C -0.299 177.337 177.584 0.087 0.000 1.220 634 A CA -0.509 51.611 52.037 0.138 0.000 0.835 634 A CB 0.802 19.914 19.000 0.187 0.000 1.180 634 A HN 0.865 nan 8.150 nan 0.000 0.500 635 V N 0.453 120.397 119.914 0.050 0.000 3.102 635 V HA 0.781 4.902 4.120 0.003 0.000 0.312 635 V C -0.229 175.848 176.094 -0.029 0.000 1.135 635 V CA -0.943 61.369 62.300 0.020 0.000 1.022 635 V CB 1.449 33.282 31.823 0.016 0.000 1.056 635 V HN 0.560 nan 8.190 nan 0.000 0.436 636 V N 2.390 122.280 119.914 -0.040 0.000 2.508 636 V HA 0.356 4.477 4.120 0.003 0.000 0.281 636 V C 0.882 176.917 176.094 -0.098 0.000 1.041 636 V CA 0.593 62.828 62.300 -0.109 0.000 1.016 636 V CB 0.983 32.733 31.823 -0.121 0.000 0.984 636 V HN 1.113 nan 8.190 nan 0.000 0.478 637 S N 3.531 119.155 115.700 -0.127 0.000 2.603 637 S HA 0.259 4.730 4.470 0.003 0.000 0.268 637 S C 0.604 175.142 174.600 -0.102 0.000 1.317 637 S CA -0.259 57.886 58.200 -0.092 0.000 1.012 637 S CB 0.955 64.095 63.200 -0.100 0.000 0.926 637 S HN 0.815 nan 8.310 nan 0.000 0.539 638 Q N 0.545 120.303 119.800 -0.070 0.000 2.164 638 Q HA 0.199 4.541 4.340 0.003 0.000 0.226 638 Q C 1.267 177.135 176.000 -0.220 0.000 0.813 638 Q CA -0.299 55.408 55.803 -0.159 0.000 0.978 638 Q CB 0.559 29.254 28.738 -0.072 0.000 1.149 638 Q HN 0.738 nan 8.270 nan 0.000 0.489 639 R N -0.268 120.203 120.500 -0.048 0.000 2.419 639 R HA 0.244 4.585 4.340 0.003 0.000 0.235 639 R C 0.181 176.475 176.300 -0.011 0.000 0.899 639 R CA -0.089 56.036 56.100 0.042 0.000 1.048 639 R CB 0.329 30.733 30.300 0.173 0.000 1.182 639 R HN 0.036 nan 8.270 nan 0.000 0.544 640 L N 0.780 121.964 121.223 -0.065 0.000 2.421 640 L HA 0.354 4.696 4.340 0.003 0.000 0.263 640 L C 0.496 177.319 176.870 -0.079 0.000 1.122 640 L CA -0.387 54.405 54.840 -0.079 0.000 0.804 640 L CB 1.789 43.781 42.059 -0.112 0.000 1.150 640 L HN -0.016 nan 8.230 nan 0.000 0.457 641 T N -1.185 113.336 114.554 -0.055 0.000 3.409 641 T HA 0.045 4.397 4.350 0.003 0.000 0.242 641 T C 1.240 175.939 174.700 -0.002 0.000 1.000 641 T CA 0.009 62.090 62.100 -0.033 0.000 1.180 641 T CB 0.265 69.121 68.868 -0.020 0.000 1.210 641 T HN 0.581 nan 8.240 nan 0.000 0.373 642 E N 1.138 121.339 120.200 0.001 0.000 2.276 642 E HA 0.228 4.580 4.350 0.003 0.000 0.193 642 E C 0.239 176.852 176.600 0.022 0.000 0.983 642 E CA 0.128 56.551 56.400 0.039 0.000 0.861 642 E CB 0.373 30.086 29.700 0.022 0.000 0.817 642 E HN 0.149 nan 8.360 nan 0.000 0.485 643 S N 2.026 117.680 115.700 -0.076 0.000 2.565 643 S HA 0.068 4.539 4.470 0.003 0.000 0.274 643 S C -1.649 172.758 174.600 -0.321 0.000 1.309 643 S CA -1.200 56.889 58.200 -0.185 0.000 1.043 643 S CB 1.163 64.259 63.200 -0.173 0.000 0.939 643 S HN 0.092 nan 8.310 nan 0.000 0.504 644 P HA 0.058 nan 4.420 nan 0.000 0.218 644 P C 0.341 177.454 177.300 -0.312 0.000 1.152 644 P CA 0.635 63.373 63.100 -0.604 0.000 0.826 644 P CB -0.221 31.077 31.700 -0.671 0.000 0.790 645 C N -2.868 116.271 119.300 -0.268 0.000 3.306 645 C HA 0.915 5.377 4.460 0.003 0.000 0.335 645 C C -1.273 173.590 174.990 -0.212 0.000 1.382 645 C CA -0.834 57.991 59.018 -0.321 0.000 1.254 645 C CB 1.380 28.843 27.740 -0.462 0.000 1.555 645 C HN 0.413 nan 8.230 nan 0.000 0.463 646 A N 0.722 123.423 122.820 -0.198 0.000 2.608 646 A HA 0.772 5.094 4.320 0.003 0.000 0.292 646 A C -1.780 175.902 177.584 0.163 0.000 1.066 646 A CA -0.599 51.413 52.037 -0.041 0.000 0.676 646 A CB 0.856 19.739 19.000 -0.195 0.000 1.277 646 A HN 1.206 nan 8.150 nan 0.000 0.413 647 L N 1.771 123.184 121.223 0.316 0.000 2.262 647 L HA 0.466 4.807 4.340 0.003 0.000 0.288 647 L C -0.765 176.356 176.870 0.418 0.000 1.035 647 L CA -0.793 54.253 54.840 0.343 0.000 0.820 647 L CB 1.101 43.258 42.059 0.163 0.000 1.204 647 L HN 0.431 nan 8.230 nan 0.000 0.424 648 V N 2.974 123.053 119.914 0.276 0.000 2.394 648 V HA 0.478 4.600 4.120 0.003 0.000 0.282 648 V C 0.748 176.897 176.094 0.091 0.000 1.031 648 V CA -0.500 61.896 62.300 0.160 0.000 0.881 648 V CB 1.488 33.377 31.823 0.111 0.000 0.982 648 V HN 0.877 nan 8.190 nan 0.000 0.451 649 A N 4.314 127.182 122.820 0.079 0.000 2.332 649 A HA 0.644 4.966 4.320 0.003 0.000 0.258 649 A C 0.760 178.350 177.584 0.010 0.000 1.087 649 A CA -0.052 52.040 52.037 0.090 0.000 0.802 649 A CB 0.435 19.548 19.000 0.188 0.000 1.042 649 A HN 1.090 nan 8.150 nan 0.000 0.489 650 S N 0.308 116.007 115.700 -0.001 0.000 2.589 650 S HA 0.064 4.535 4.470 0.003 0.000 0.265 650 S C 1.042 175.561 174.600 -0.135 0.000 1.342 650 S CA 0.485 58.643 58.200 -0.070 0.000 1.005 650 S CB 0.616 63.771 63.200 -0.075 0.000 0.909 650 S HN 0.830 nan 8.310 nan 0.000 0.555 651 Q N 0.492 120.129 119.800 -0.272 0.000 2.096 651 Q HA -0.219 4.123 4.340 0.003 0.000 0.208 651 Q C 0.457 176.130 176.000 -0.545 0.000 0.993 651 Q CA 2.059 57.557 55.803 -0.508 0.000 0.862 651 Q CB -0.241 28.001 28.738 -0.827 0.000 0.915 651 Q HN 0.948 nan 8.270 nan 0.000 0.416 652 Y N -1.194 119.081 120.300 -0.042 0.000 2.636 652 Y HA 0.388 4.940 4.550 0.003 0.000 0.260 652 Y C 0.788 176.646 175.900 -0.070 0.000 1.177 652 Y CA -0.631 57.443 58.100 -0.044 0.000 1.209 652 Y CB 0.670 39.076 38.460 -0.090 0.000 1.166 652 Y HN 0.066 nan 8.280 nan 0.000 0.531 653 G N -0.631 108.202 108.800 0.055 0.000 2.537 653 G HA2 0.233 4.195 3.960 0.003 0.000 0.297 653 G HA3 0.233 4.195 3.960 0.003 0.000 0.297 653 G C -1.281 173.886 174.900 0.445 0.000 1.310 653 G CA -0.479 44.702 45.100 0.135 0.000 1.027 653 G HN 0.111 nan 8.290 nan 0.000 0.505 654 W N 0.827 122.302 121.300 0.290 0.000 2.351 654 W HA 0.517 5.179 4.660 0.003 0.000 0.311 654 W C 0.924 177.534 176.519 0.151 0.000 1.168 654 W CA -1.420 56.040 57.345 0.193 0.000 1.200 654 W CB 0.952 30.515 29.460 0.171 0.000 1.221 654 W HN 0.591 nan 8.180 nan 0.000 0.519 655 S N 0.791 116.627 115.700 0.226 0.000 2.645 655 S HA 0.451 4.922 4.470 0.003 0.000 0.266 655 S C 1.342 175.821 174.600 -0.202 0.000 1.258 655 S CA -0.082 58.135 58.200 0.029 0.000 0.990 655 S CB 1.163 64.320 63.200 -0.072 0.000 0.967 655 S HN 0.645 nan 8.310 nan 0.000 0.556 656 G N 1.006 109.365 108.800 -0.734 0.000 2.476 656 G HA2 -0.342 3.619 3.960 0.003 0.000 0.218 656 G HA3 -0.342 3.619 3.960 0.003 0.000 0.218 656 G C 1.307 175.991 174.900 -0.360 0.000 1.164 656 G CA 1.269 45.794 45.100 -0.958 0.000 0.768 656 G HN 0.818 nan 8.290 nan 0.000 0.560 657 N N -0.418 118.142 118.700 -0.233 0.000 2.104 657 N HA -0.106 4.635 4.740 0.003 0.000 0.190 657 N C 2.239 177.653 175.510 -0.160 0.000 1.024 657 N CA 1.413 54.382 53.050 -0.135 0.000 0.853 657 N CB -0.171 38.276 38.487 -0.067 0.000 1.008 657 N HN 0.124 nan 8.380 nan 0.000 0.424 658 M N 0.647 120.124 119.600 -0.206 0.000 2.175 658 M HA -0.093 4.388 4.480 0.003 0.000 0.264 658 M C 2.006 178.032 176.300 -0.456 0.000 1.063 658 M CA 1.224 56.290 55.300 -0.390 0.000 1.119 658 M CB -0.945 31.324 32.600 -0.552 0.000 1.377 658 M HN 0.378 nan 8.290 nan 0.000 0.415 659 E N -0.043 120.038 120.200 -0.199 0.000 2.077 659 E HA -0.233 4.119 4.350 0.003 0.000 0.193 659 E C 2.214 178.766 176.600 -0.080 0.000 0.989 659 E CA 1.140 57.522 56.400 -0.030 0.000 0.800 659 E CB 0.023 29.802 29.700 0.133 0.000 0.746 659 E HN 0.376 nan 8.360 nan 0.000 0.452 660 R N 0.327 120.767 120.500 -0.099 0.000 2.070 660 R HA -0.127 4.214 4.340 0.003 0.000 0.233 660 R C 2.506 178.764 176.300 -0.070 0.000 1.137 660 R CA 1.592 57.650 56.100 -0.069 0.000 0.945 660 R CB -0.263 29.996 30.300 -0.069 0.000 0.845 660 R HN 0.251 nan 8.270 nan 0.000 0.430 661 I N 0.495 121.004 120.570 -0.102 0.000 2.226 661 I HA -0.314 3.857 4.170 0.003 0.000 0.245 661 I C 2.276 178.336 176.117 -0.095 0.000 1.100 661 I CA 1.033 62.286 61.300 -0.077 0.000 1.374 661 I CB -0.178 37.790 38.000 -0.053 0.000 1.057 661 I HN 0.267 nan 8.210 nan 0.000 0.413 662 M N 0.127 119.605 119.600 -0.202 0.000 2.200 662 M HA -0.119 4.362 4.480 0.003 0.000 0.265 662 M C 2.187 178.468 176.300 -0.032 0.000 1.066 662 M CA 1.529 56.717 55.300 -0.187 0.000 1.127 662 M CB -0.981 31.326 32.600 -0.487 0.000 1.379 662 M HN 0.116 nan 8.290 nan 0.000 0.420 663 K N 0.219 120.614 120.400 -0.009 0.000 2.097 663 K HA 0.016 4.338 4.320 0.003 0.000 0.205 663 K C 2.001 178.642 176.600 0.069 0.000 1.050 663 K CA 1.408 57.721 56.287 0.044 0.000 0.938 663 K CB -0.383 32.135 32.500 0.029 0.000 0.718 663 K HN 0.310 nan 8.250 nan 0.000 0.442 664 A N 0.977 123.827 122.820 0.050 0.000 1.970 664 A HA -0.142 4.179 4.320 0.003 0.000 0.216 664 A C 2.094 179.735 177.584 0.095 0.000 1.170 664 A CA 1.090 53.184 52.037 0.095 0.000 0.645 664 A CB -0.266 18.766 19.000 0.052 0.000 0.816 664 A HN 0.352 nan 8.150 nan 0.000 0.447 665 Q N -0.793 119.035 119.800 0.046 0.000 2.311 665 Q HA 0.086 4.427 4.340 0.003 0.000 0.203 665 Q C 1.789 177.817 176.000 0.046 0.000 0.954 665 Q CA 0.884 56.703 55.803 0.027 0.000 0.885 665 Q CB -0.162 28.577 28.738 0.001 0.000 0.963 665 Q HN 0.591 nan 8.270 nan 0.000 0.471 666 A N -0.688 122.180 122.820 0.079 0.000 2.218 666 A HA -0.044 4.278 4.320 0.003 0.000 0.209 666 A C 1.273 178.943 177.584 0.144 0.000 1.168 666 A CA 0.236 52.331 52.037 0.095 0.000 0.804 666 A CB -0.159 18.903 19.000 0.103 0.000 0.834 666 A HN 0.592 nan 8.150 nan 0.000 0.482 667 Y N -1.011 119.294 120.300 0.008 0.000 2.447 667 Y HA 0.198 4.749 4.550 0.002 0.000 0.286 667 Y C 2.716 178.617 175.900 0.002 0.000 1.153 667 Y CA 1.721 59.825 58.100 0.007 0.000 1.241 667 Y CB -0.571 37.893 38.460 0.006 0.000 1.284 667 Y HN 0.293 nan 8.280 nan 0.000 0.520 668 Q N -0.116 119.608 119.800 -0.128 0.000 2.119 668 Q HA 0.002 4.344 4.340 0.003 0.000 0.201 668 Q C 1.958 177.871 176.000 -0.146 0.000 0.972 668 Q CA 2.923 58.601 55.803 -0.209 0.000 0.847 668 Q CB -1.709 26.988 28.738 -0.068 0.000 0.903 668 Q HN 0.744 nan 8.270 nan 0.000 0.433 669 T N -1.233 113.278 114.554 -0.073 0.000 3.151 669 T HA 0.494 4.845 4.350 0.003 0.000 0.239 669 T C 1.498 176.179 174.700 -0.032 0.000 0.979 669 T CA 0.838 62.907 62.100 -0.052 0.000 1.194 669 T CB -0.379 68.469 68.868 -0.032 0.000 0.982 669 T HN 0.789 nan 8.240 nan 0.000 0.428 670 G N 0.489 109.287 108.800 -0.004 0.000 2.699 670 G HA2 0.455 4.416 3.960 0.003 0.000 0.246 670 G HA3 0.455 4.416 3.960 0.003 0.000 0.246 670 G C 0.290 175.201 174.900 0.018 0.000 1.219 670 G CA 0.442 45.552 45.100 0.017 0.000 0.866 670 G HN 0.794 nan 8.290 nan 0.000 0.572 671 K N 0.610 121.026 120.400 0.027 0.000 2.847 671 K HA 0.520 4.842 4.320 0.003 0.000 0.213 671 K C 0.133 176.761 176.600 0.047 0.000 1.174 671 K CA 0.132 56.436 56.287 0.029 0.000 1.095 671 K CB -0.268 32.242 32.500 0.018 0.000 1.581 671 K HN 1.049 nan 8.250 nan 0.000 0.514 672 D N -1.110 119.331 120.400 0.069 0.000 4.847 672 D HA -0.162 4.480 4.640 0.003 0.000 0.237 672 D C -0.388 175.951 176.300 0.065 0.000 1.164 672 D CA 1.230 55.275 54.000 0.076 0.000 1.196 672 D CB -1.374 39.466 40.800 0.067 0.000 0.717 672 D HN 1.100 nan 8.370 nan 0.000 0.348 673 I N 1.585 122.200 120.570 0.076 0.000 3.004 673 I HA 0.761 4.933 4.170 0.003 0.000 0.328 673 I C 1.820 177.980 176.117 0.072 0.000 1.296 673 I CA 0.645 61.989 61.300 0.074 0.000 1.005 673 I CB 0.027 38.085 38.000 0.096 0.000 1.928 673 I HN 0.691 nan 8.210 nan 0.000 0.545 674 S N 0.902 116.636 115.700 0.056 0.000 2.345 674 S HA 0.197 4.669 4.470 0.003 0.000 0.219 674 S C 1.757 176.380 174.600 0.037 0.000 1.031 674 S CA 1.760 59.989 58.200 0.049 0.000 0.984 674 S CB -0.408 62.816 63.200 0.040 0.000 0.874 674 S HN 1.532 nan 8.310 nan 0.000 0.451 675 T N 1.896 116.466 114.554 0.028 0.000 3.945 675 T HA 0.582 4.933 4.350 0.003 0.000 0.306 675 T C 0.586 175.290 174.700 0.008 0.000 1.475 675 T CA 0.397 62.506 62.100 0.016 0.000 1.177 675 T CB -1.701 67.175 68.868 0.014 0.000 1.272 675 T HN 0.798 nan 8.240 nan 0.000 0.930 676 N N -0.763 117.936 118.700 -0.002 0.000 2.307 676 N HA 0.608 5.349 4.740 0.003 0.000 0.278 676 N C 1.420 176.881 175.510 -0.081 0.000 1.313 676 N CA 0.707 53.736 53.050 -0.036 0.000 0.938 676 N CB -0.696 37.765 38.487 -0.043 0.000 1.057 676 N HN 0.791 nan 8.380 nan 0.000 0.479 677 Y N -1.555 118.627 120.300 -0.197 0.000 2.569 677 Y HA 0.412 4.963 4.550 0.003 0.000 0.278 677 Y C 1.043 176.870 175.900 -0.121 0.000 1.130 677 Y CA 1.256 59.260 58.100 -0.160 0.000 1.280 677 Y CB -0.255 38.079 38.460 -0.210 0.000 1.379 677 Y HN 0.986 nan 8.280 nan 0.000 0.508 678 Y N -1.634 118.382 120.300 -0.473 0.000 2.558 678 Y HA 0.771 5.323 4.550 0.003 0.000 0.316 678 Y C 0.558 176.110 175.900 -0.581 0.000 0.967 678 Y CA -1.098 56.715 58.100 -0.479 0.000 1.126 678 Y CB 0.148 38.351 38.460 -0.429 0.000 1.155 678 Y HN 0.267 nan 8.280 nan 0.000 0.628 679 A N 0.721 123.361 122.820 -0.299 0.000 1.984 679 A HA 0.152 4.474 4.320 0.003 0.000 0.203 679 A C 1.281 178.928 177.584 0.105 0.000 1.292 679 A CA 0.710 52.762 52.037 0.025 0.000 0.782 679 A CB -0.393 18.707 19.000 0.166 0.000 0.924 679 A HN 0.494 nan 8.150 nan 0.000 0.475 680 S N 1.243 116.968 115.700 0.042 0.000 3.548 680 S HA 0.424 4.896 4.470 0.003 0.000 0.195 680 S C -0.115 174.505 174.600 0.032 0.000 1.432 680 S CA -0.554 57.675 58.200 0.048 0.000 1.087 680 S CB -0.780 62.440 63.200 0.033 0.000 1.337 680 S HN 0.623 nan 8.310 nan 0.000 0.505 681 Q N 0.436 120.263 119.800 0.044 0.000 2.377 681 Q HA 0.561 4.903 4.340 0.003 0.000 0.271 681 Q C -1.155 174.857 176.000 0.020 0.000 1.077 681 Q CA -1.188 54.632 55.803 0.027 0.000 0.820 681 Q CB 1.466 30.222 28.738 0.030 0.000 1.347 681 Q HN 0.234 nan 8.270 nan 0.000 0.444 682 K N 1.398 121.799 120.400 0.001 0.000 2.355 682 K HA 0.226 4.547 4.320 0.003 0.000 0.270 682 K C -0.630 175.966 176.600 -0.007 0.000 1.003 682 K CA -0.270 56.011 56.287 -0.010 0.000 0.957 682 K CB 0.453 32.935 32.500 -0.030 0.000 0.939 682 K HN 0.342 nan 8.250 nan 0.000 0.482 683 K N 0.283 120.680 120.400 -0.006 0.000 2.303 683 K HA 0.332 4.653 4.320 0.003 0.000 0.233 683 K C -0.756 175.880 176.600 0.060 0.000 1.046 683 K CA -0.520 55.773 56.287 0.010 0.000 0.895 683 K CB 1.533 33.995 32.500 -0.063 0.000 1.220 683 K HN 0.400 nan 8.250 nan 0.000 0.470 684 T N 1.525 116.132 114.554 0.088 0.000 2.733 684 T HA 0.277 4.629 4.350 0.003 0.000 0.294 684 T C -0.926 173.899 174.700 0.208 0.000 0.956 684 T CA -0.268 61.901 62.100 0.114 0.000 0.987 684 T CB -0.189 68.721 68.868 0.070 0.000 0.920 684 T HN 0.228 nan 8.240 nan 0.000 0.470 685 F N 4.192 124.165 119.950 0.039 0.000 2.404 685 F HA 0.271 4.800 4.527 0.003 0.000 0.359 685 F C 0.505 176.338 175.800 0.056 0.000 1.134 685 F CA -1.254 56.787 58.000 0.068 0.000 1.160 685 F CB 0.157 39.175 39.000 0.031 0.000 1.186 685 F HN 0.496 nan 8.300 nan 0.000 0.526 686 E N 7.660 127.739 120.200 -0.203 0.000 2.146 686 E HA 0.324 4.676 4.350 0.003 0.000 0.282 686 E C -0.334 176.012 176.600 -0.424 0.000 0.989 686 E CA -0.625 55.642 56.400 -0.221 0.000 0.799 686 E CB 1.696 31.349 29.700 -0.078 0.000 1.088 686 E HN 0.657 nan 8.360 nan 0.000 0.397 687 I N 0.235 120.592 120.570 -0.355 0.000 2.607 687 I HA 0.455 4.627 4.170 0.003 0.000 0.305 687 I C -0.230 175.741 176.117 -0.244 0.000 0.995 687 I CA -1.034 60.068 61.300 -0.330 0.000 1.148 687 I CB 1.454 39.325 38.000 -0.216 0.000 1.323 687 I HN 0.183 nan 8.210 nan 0.000 0.461 688 N N 6.316 124.889 118.700 -0.213 0.000 2.462 688 N HA 0.372 5.114 4.740 0.003 0.000 0.242 688 N C -1.730 173.658 175.510 -0.203 0.000 1.010 688 N CA -2.727 50.213 53.050 -0.183 0.000 0.939 688 N CB 1.125 39.538 38.487 -0.124 0.000 1.127 688 N HN 0.452 nan 8.380 nan 0.000 0.509 689 P HA -0.112 nan 4.420 nan 0.000 0.223 689 P C 0.744 177.917 177.300 -0.213 0.000 1.151 689 P CA 1.049 63.741 63.100 -0.680 0.000 0.787 689 P CB 0.270 31.421 31.700 -0.916 0.000 0.788 690 R N -0.654 119.783 120.500 -0.105 0.000 2.334 690 R HA 0.021 4.362 4.340 0.003 0.000 0.220 690 R C 0.978 177.295 176.300 0.029 0.000 0.917 690 R CA 0.045 56.134 56.100 -0.019 0.000 1.073 690 R CB -1.654 28.625 30.300 -0.035 0.000 1.056 690 R HN 0.394 nan 8.270 nan 0.000 0.506 691 H N 1.017 120.065 119.070 -0.037 0.000 2.620 691 H HA 0.197 4.755 4.556 0.003 0.000 0.313 691 H C -1.918 173.426 175.328 0.026 0.000 1.075 691 H CA -2.131 53.910 56.048 -0.011 0.000 1.397 691 H CB 2.227 31.975 29.762 -0.023 0.000 1.446 691 H HN -0.074 nan 8.280 nan 0.000 0.493 692 P HA -0.245 nan 4.420 nan 0.000 0.217 692 P C 1.689 178.960 177.300 -0.048 0.000 1.158 692 P CA 0.930 63.911 63.100 -0.198 0.000 0.887 692 P CB 0.225 31.752 31.700 -0.289 0.000 0.792 693 L N -1.752 119.477 121.223 0.010 0.000 2.141 693 L HA -0.114 4.227 4.340 0.003 0.000 0.209 693 L C 2.043 179.043 176.870 0.216 0.000 1.094 693 L CA 1.771 56.720 54.840 0.181 0.000 0.763 693 L CB -1.105 41.137 42.059 0.305 0.000 0.908 693 L HN -0.158 nan 8.230 nan 0.000 0.437 694 I N -0.590 120.152 120.570 0.286 0.000 2.353 694 I HA -0.199 3.973 4.170 0.003 0.000 0.248 694 I C 2.358 178.645 176.117 0.283 0.000 1.119 694 I CA 1.173 62.630 61.300 0.261 0.000 1.417 694 I CB -0.504 37.627 38.000 0.219 0.000 1.078 694 I HN 0.179 nan 8.210 nan 0.000 0.421 695 K N 0.353 120.899 120.400 0.242 0.000 2.032 695 K HA -0.206 4.116 4.320 0.003 0.000 0.209 695 K C 1.687 178.330 176.600 0.071 0.000 1.048 695 K CA 1.825 58.230 56.287 0.196 0.000 0.927 695 K CB -0.257 32.322 32.500 0.131 0.000 0.712 695 K HN 0.240 nan 8.250 nan 0.000 0.441 696 D N 0.367 120.801 120.400 0.056 0.000 2.178 696 D HA -0.149 4.492 4.640 0.003 0.000 0.201 696 D C 1.698 177.997 176.300 -0.001 0.000 0.980 696 D CA 1.008 55.017 54.000 0.015 0.000 0.842 696 D CB -0.025 40.787 40.800 0.020 0.000 0.948 696 D HN 0.159 nan 8.370 nan 0.000 0.472 697 M N -0.167 119.458 119.600 0.042 0.000 2.319 697 M HA -0.064 4.417 4.480 0.003 0.000 0.265 697 M C 1.708 177.965 176.300 -0.072 0.000 1.068 697 M CA 0.661 55.970 55.300 0.015 0.000 1.118 697 M CB 0.236 32.909 32.600 0.122 0.000 1.395 697 M HN 0.022 nan 8.290 nan 0.000 0.435 698 L N 0.018 121.205 121.223 -0.061 0.000 2.095 698 L HA -0.076 4.265 4.340 0.003 0.000 0.204 698 L C 2.392 179.140 176.870 -0.205 0.000 1.080 698 L CA 1.714 56.445 54.840 -0.183 0.000 0.759 698 L CB -0.699 41.133 42.059 -0.378 0.000 0.914 698 L HN 0.236 nan 8.230 nan 0.000 0.439 699 R N -0.501 119.906 120.500 -0.155 0.000 2.080 699 R HA -0.205 4.136 4.340 0.003 0.000 0.236 699 R C 2.558 178.774 176.300 -0.141 0.000 1.137 699 R CA 1.905 57.924 56.100 -0.135 0.000 0.943 699 R CB -0.268 29.977 30.300 -0.092 0.000 0.846 699 R HN 0.310 nan 8.270 nan 0.000 0.431 700 R N -0.147 120.268 120.500 -0.142 0.000 2.148 700 R HA -0.031 4.311 4.340 0.003 0.000 0.223 700 R C 2.042 178.201 176.300 -0.234 0.000 1.088 700 R CA 0.768 56.777 56.100 -0.152 0.000 0.985 700 R CB 0.126 30.356 30.300 -0.117 0.000 0.880 700 R HN 0.124 nan 8.270 nan 0.000 0.451 701 V N 1.039 120.750 119.914 -0.339 0.000 2.379 701 V HA -0.201 3.921 4.120 0.003 0.000 0.245 701 V C 1.921 177.814 176.094 -0.336 0.000 1.044 701 V CA 1.722 63.712 62.300 -0.517 0.000 1.036 701 V CB -0.219 31.129 31.823 -0.792 0.000 0.664 701 V HN 0.332 nan 8.190 nan 0.000 0.453 702 K N 0.083 120.341 120.400 -0.237 0.000 2.155 702 K HA -0.093 4.229 4.320 0.003 0.000 0.203 702 K C 2.344 178.868 176.600 -0.126 0.000 1.052 702 K CA 1.414 57.605 56.287 -0.161 0.000 0.948 702 K CB -0.223 32.193 32.500 -0.141 0.000 0.728 702 K HN 0.637 nan 8.250 nan 0.000 0.448 703 E N 1.744 121.867 120.200 -0.127 0.000 2.072 703 E HA -0.131 4.220 4.350 0.003 0.000 0.190 703 E C 0.390 176.938 176.600 -0.087 0.000 0.982 703 E CA 1.453 57.797 56.400 -0.094 0.000 0.803 703 E CB -0.106 29.542 29.700 -0.086 0.000 0.755 703 E HN 0.244 nan 8.360 nan 0.000 0.453 704 D N -1.999 118.333 120.400 -0.113 0.000 2.365 704 D HA 0.142 4.784 4.640 0.003 0.000 0.235 704 D C 0.188 176.408 176.300 -0.132 0.000 1.368 704 D CA -0.322 53.624 54.000 -0.091 0.000 1.001 704 D CB 1.058 41.821 40.800 -0.062 0.000 1.364 704 D HN 0.174 nan 8.370 nan 0.000 0.577 705 E N 2.246 122.379 120.200 -0.112 0.000 2.107 705 E HA -0.124 4.228 4.350 0.003 0.000 0.191 705 E C 0.990 177.616 176.600 0.043 0.000 0.982 705 E CA 1.459 57.785 56.400 -0.122 0.000 0.809 705 E CB 0.253 29.942 29.700 -0.018 0.000 0.756 705 E HN 0.597 nan 8.360 nan 0.000 0.459 706 D N 0.962 121.393 120.400 0.053 0.000 2.352 706 D HA -0.028 4.614 4.640 0.003 0.000 0.236 706 D C -0.033 176.310 176.300 0.072 0.000 1.148 706 D CA 0.135 54.189 54.000 0.091 0.000 0.844 706 D CB -0.357 40.479 40.800 0.060 0.000 0.933 706 D HN 0.079 nan 8.370 nan 0.000 0.507 707 D N 0.234 120.663 120.400 0.049 0.000 2.348 707 D HA 0.075 4.716 4.640 0.003 0.000 0.253 707 D C 1.763 178.117 176.300 0.090 0.000 1.161 707 D CA -0.274 53.749 54.000 0.038 0.000 0.876 707 D CB 1.395 42.188 40.800 -0.011 0.000 1.160 707 D HN 0.424 nan 8.370 nan 0.000 0.459 708 K N 1.338 121.783 120.400 0.076 0.000 2.217 708 K HA -0.076 4.246 4.320 0.003 0.000 0.202 708 K C 1.269 177.924 176.600 0.092 0.000 1.051 708 K CA 0.814 57.155 56.287 0.088 0.000 0.952 708 K CB -0.172 32.363 32.500 0.059 0.000 0.736 708 K HN 0.252 nan 8.250 nan 0.000 0.453 709 T N 1.290 115.885 114.554 0.069 0.000 2.867 709 T HA -0.057 4.294 4.350 0.003 0.000 0.268 709 T C 1.975 176.731 174.700 0.093 0.000 1.057 709 T CA 1.316 63.454 62.100 0.064 0.000 1.136 709 T CB -0.136 68.755 68.868 0.039 0.000 0.874 709 T HN 0.070 nan 8.240 nan 0.000 0.466 710 V N 1.061 121.040 119.914 0.108 0.000 2.649 710 V HA -0.049 4.073 4.120 0.003 0.000 0.248 710 V C 2.675 178.982 176.094 0.355 0.000 1.054 710 V CA 1.418 63.809 62.300 0.153 0.000 1.073 710 V CB -0.678 31.142 31.823 -0.005 0.000 0.699 710 V HN 0.488 nan 8.190 nan 0.000 0.463 711 S N 0.387 116.312 115.700 0.376 0.000 2.368 711 S HA -0.226 4.246 4.470 0.003 0.000 0.224 711 S C 1.730 176.432 174.600 0.170 0.000 1.029 711 S CA 1.827 60.233 58.200 0.342 0.000 0.988 711 S CB -0.393 62.952 63.200 0.242 0.000 0.838 711 S HN 0.619 nan 8.310 nan 0.000 0.462 712 D N 1.277 121.760 120.400 0.138 0.000 2.144 712 D HA -0.043 4.598 4.640 0.003 0.000 0.200 712 D C 1.942 178.309 176.300 0.111 0.000 0.978 712 D CA 0.759 54.816 54.000 0.095 0.000 0.833 712 D CB -0.503 40.340 40.800 0.072 0.000 0.961 712 D HN 0.380 nan 8.370 nan 0.000 0.470 713 L N 0.538 121.845 121.223 0.140 0.000 2.056 713 L HA -0.149 4.193 4.340 0.003 0.000 0.207 713 L C 2.265 179.246 176.870 0.184 0.000 1.078 713 L CA 1.249 56.178 54.840 0.148 0.000 0.749 713 L CB -0.205 41.943 42.059 0.149 0.000 0.901 713 L HN -0.039 nan 8.230 nan 0.000 0.433 714 A N -0.613 122.343 122.820 0.226 0.000 1.917 714 A HA -0.215 4.106 4.320 0.003 0.000 0.219 714 A C 2.195 179.856 177.584 0.128 0.000 1.182 714 A CA 2.178 54.341 52.037 0.209 0.000 0.633 714 A CB -1.030 18.063 19.000 0.155 0.000 0.819 714 A HN 0.329 nan 8.150 nan 0.000 0.448 715 V N -0.648 119.324 119.914 0.096 0.000 2.261 715 V HA -0.234 3.888 4.120 0.003 0.000 0.246 715 V C 2.559 178.774 176.094 0.202 0.000 1.047 715 V CA 2.014 64.390 62.300 0.126 0.000 1.015 715 V CB -0.809 31.067 31.823 0.088 0.000 0.642 715 V HN 0.371 nan 8.190 nan 0.000 0.446 716 V N -0.475 119.542 119.914 0.171 0.000 2.407 716 V HA -0.233 3.889 4.120 0.003 0.000 0.248 716 V C 2.342 178.559 176.094 0.205 0.000 1.055 716 V CA 2.033 64.445 62.300 0.187 0.000 1.049 716 V CB -0.459 31.433 31.823 0.115 0.000 0.662 716 V HN 0.490 nan 8.190 nan 0.000 0.455 717 L N -0.583 120.765 121.223 0.208 0.000 2.056 717 L HA -0.132 4.210 4.340 0.003 0.000 0.207 717 L C 2.138 179.176 176.870 0.281 0.000 1.078 717 L CA 2.026 57.005 54.840 0.230 0.000 0.749 717 L CB -0.750 41.469 42.059 0.267 0.000 0.901 717 L HN 0.385 nan 8.230 nan 0.000 0.433 718 F N 0.581 120.588 119.950 0.095 0.000 2.102 718 F HA -0.178 4.351 4.527 0.003 0.000 0.298 718 F C 2.295 178.094 175.800 -0.001 0.000 1.105 718 F CA 1.956 59.933 58.000 -0.039 0.000 1.239 718 F CB -0.468 38.306 39.000 -0.377 0.000 0.991 718 F HN 0.197 nan 8.300 nan 0.000 0.474 719 E N -0.366 119.703 120.200 -0.218 0.000 2.085 719 E HA -0.200 4.151 4.350 0.003 0.000 0.194 719 E C 2.096 178.512 176.600 -0.307 0.000 0.994 719 E CA 1.985 58.169 56.400 -0.360 0.000 0.801 719 E CB -0.420 29.266 29.700 -0.022 0.000 0.743 719 E HN 0.430 nan 8.360 nan 0.000 0.453 720 T N 0.865 115.390 114.554 -0.048 0.000 2.821 720 T HA -0.096 4.256 4.350 0.003 0.000 0.267 720 T C 2.022 176.688 174.700 -0.057 0.000 1.046 720 T CA 1.045 63.139 62.100 -0.011 0.000 1.139 720 T CB -0.185 68.747 68.868 0.106 0.000 0.871 720 T HN 0.239 nan 8.240 nan 0.000 0.454 721 A N 1.539 124.344 122.820 -0.025 0.000 1.940 721 A HA -0.144 4.178 4.320 0.003 0.000 0.219 721 A C 2.523 180.082 177.584 -0.042 0.000 1.176 721 A CA 2.004 54.053 52.037 0.019 0.000 0.631 721 A CB -1.290 17.849 19.000 0.230 0.000 0.814 721 A HN 0.470 nan 8.150 nan 0.000 0.446 722 T N 0.247 114.674 114.554 -0.212 0.000 2.788 722 T HA -0.091 4.261 4.350 0.003 0.000 0.268 722 T C 1.746 176.418 174.700 -0.046 0.000 1.044 722 T CA 1.517 63.500 62.100 -0.195 0.000 1.139 722 T CB -0.307 68.290 68.868 -0.452 0.000 0.867 722 T HN 0.384 nan 8.240 nan 0.000 0.454 723 L N 0.052 121.208 121.223 -0.112 0.000 2.095 723 L HA 0.042 4.384 4.340 0.003 0.000 0.204 723 L C 2.919 179.774 176.870 -0.026 0.000 1.080 723 L CA 0.864 55.660 54.840 -0.074 0.000 0.759 723 L CB -0.269 41.724 42.059 -0.111 0.000 0.914 723 L HN -0.002 nan 8.230 nan 0.000 0.439 724 R N -0.396 120.083 120.500 -0.035 0.000 2.148 724 R HA -0.020 4.322 4.340 0.003 0.000 0.227 724 R C 2.039 178.305 176.300 -0.057 0.000 1.103 724 R CA 0.998 57.064 56.100 -0.057 0.000 0.983 724 R CB -0.509 29.740 30.300 -0.085 0.000 0.874 724 R HN 0.279 nan 8.270 nan 0.000 0.451 725 S N -0.637 115.097 115.700 0.057 0.000 2.593 725 S HA 0.138 4.610 4.470 0.003 0.000 0.217 725 S C 1.120 175.901 174.600 0.302 0.000 0.966 725 S CA 0.602 58.958 58.200 0.259 0.000 0.914 725 S CB 0.632 64.151 63.200 0.531 0.000 0.776 725 S HN 0.601 nan 8.310 nan 0.000 0.523 726 G N 0.595 109.464 108.800 0.115 0.000 2.136 726 G HA2 -0.271 3.690 3.960 0.003 0.000 0.242 726 G HA3 -0.271 3.690 3.960 0.003 0.000 0.242 726 G C -0.152 174.653 174.900 -0.159 0.000 0.989 726 G CA -0.097 44.983 45.100 -0.034 0.000 0.682 726 G HN 0.522 nan 8.290 nan 0.000 0.522 727 Y N -0.795 119.519 120.300 0.022 0.000 2.488 727 Y HA 0.694 5.246 4.550 0.002 0.000 0.325 727 Y C 1.203 177.077 175.900 -0.043 0.000 1.204 727 Y CA -1.120 56.983 58.100 0.006 0.000 1.229 727 Y CB 0.925 39.393 38.460 0.013 0.000 1.274 727 Y HN 0.080 nan 8.280 nan 0.000 0.493 728 L N 2.473 123.779 121.223 0.138 0.000 2.349 728 L HA 0.208 4.550 4.340 0.003 0.000 0.275 728 L C -0.631 176.237 176.870 -0.003 0.000 1.115 728 L CA -0.596 54.265 54.840 0.035 0.000 0.820 728 L CB 0.516 42.593 42.059 0.030 0.000 1.135 728 L HN 0.354 nan 8.230 nan 0.000 0.445 729 L N 6.110 127.285 121.223 -0.080 0.000 2.349 729 L HA 0.318 4.660 4.340 0.003 0.000 0.275 729 L C -1.208 175.618 176.870 -0.075 0.000 1.115 729 L CA -1.058 53.695 54.840 -0.145 0.000 0.820 729 L CB 0.550 42.454 42.059 -0.257 0.000 1.135 729 L HN 0.415 nan 8.230 nan 0.000 0.445 730 P HA 0.095 nan 4.420 nan 0.000 0.249 730 P C -0.717 176.583 177.300 -0.001 0.000 1.229 730 P CA 0.343 63.435 63.100 -0.013 0.000 0.788 730 P CB 0.443 32.146 31.700 0.004 0.000 1.072 731 D N -1.122 119.279 120.400 0.000 0.000 2.349 731 D HA 0.033 4.675 4.640 0.003 0.000 0.224 731 D C 0.441 176.778 176.300 0.061 0.000 1.323 731 D CA 0.041 54.058 54.000 0.028 0.000 0.917 731 D CB 0.369 41.192 40.800 0.039 0.000 1.524 731 D HN -0.312 nan 8.370 nan 0.000 0.505 732 T N 1.450 116.037 114.554 0.055 0.000 2.915 732 T HA -0.148 4.204 4.350 0.003 0.000 0.269 732 T C 1.730 176.512 174.700 0.137 0.000 1.071 732 T CA 1.241 63.409 62.100 0.113 0.000 1.132 732 T CB 0.340 69.250 68.868 0.069 0.000 0.878 732 T HN 0.265 nan 8.240 nan 0.000 0.479 733 K N 2.212 122.660 120.400 0.080 0.000 1.985 733 K HA 0.045 4.366 4.320 0.003 0.000 0.210 733 K C 2.335 178.972 176.600 0.061 0.000 1.047 733 K CA 1.616 57.937 56.287 0.057 0.000 0.932 733 K CB -0.769 31.753 32.500 0.037 0.000 0.716 733 K HN 0.198 nan 8.250 nan 0.000 0.439 734 A N -0.490 122.374 122.820 0.073 0.000 1.972 734 A HA -0.146 4.176 4.320 0.003 0.000 0.219 734 A C 2.181 179.824 177.584 0.099 0.000 1.169 734 A CA 1.575 53.654 52.037 0.069 0.000 0.635 734 A CB -0.909 18.132 19.000 0.068 0.000 0.810 734 A HN 0.633 nan 8.150 nan 0.000 0.446 735 Y N 0.494 120.795 120.300 0.002 0.000 2.337 735 Y HA 0.131 4.683 4.550 0.002 0.000 0.293 735 Y C 2.245 178.147 175.900 0.003 0.000 1.123 735 Y CA 0.962 59.062 58.100 0.000 0.000 1.201 735 Y CB -0.609 37.845 38.460 -0.010 0.000 1.011 735 Y HN 0.188 nan 8.280 nan 0.000 0.545 736 G N -0.075 108.677 108.800 -0.080 0.000 2.394 736 G HA2 -0.219 3.743 3.960 0.003 0.000 0.215 736 G HA3 -0.219 3.743 3.960 0.003 0.000 0.215 736 G C 1.149 175.956 174.900 -0.155 0.000 1.165 736 G CA 1.025 46.026 45.100 -0.165 0.000 0.784 736 G HN 0.378 nan 8.290 nan 0.000 0.535 737 D N 0.301 120.654 120.400 -0.080 0.000 2.178 737 D HA -0.019 4.623 4.640 0.003 0.000 0.202 737 D C 2.605 178.863 176.300 -0.070 0.000 0.974 737 D CA 0.518 54.485 54.000 -0.055 0.000 0.841 737 D CB -0.141 40.648 40.800 -0.018 0.000 0.953 737 D HN 0.245 nan 8.370 nan 0.000 0.478 738 R N -0.004 120.440 120.500 -0.093 0.000 2.090 738 R HA 0.039 4.381 4.340 0.003 0.000 0.228 738 R C 2.038 178.263 176.300 -0.124 0.000 1.110 738 R CA 0.404 56.457 56.100 -0.079 0.000 0.973 738 R CB 0.025 30.304 30.300 -0.036 0.000 0.869 738 R HN 0.173 nan 8.270 nan 0.000 0.440 739 I N 1.248 121.672 120.570 -0.244 0.000 2.394 739 I HA -0.192 3.980 4.170 0.003 0.000 0.251 739 I C 1.889 177.931 176.117 -0.126 0.000 1.136 739 I CA 1.457 62.618 61.300 -0.232 0.000 1.425 739 I CB -0.759 37.013 38.000 -0.381 0.000 1.079 739 I HN 0.244 nan 8.210 nan 0.000 0.425 740 E N 0.514 120.649 120.200 -0.107 0.000 2.028 740 E HA -0.235 4.116 4.350 0.003 0.000 0.191 740 E C 2.308 178.883 176.600 -0.041 0.000 0.988 740 E CA 0.950 57.312 56.400 -0.062 0.000 0.799 740 E CB -0.180 29.490 29.700 -0.050 0.000 0.755 740 E HN 0.313 nan 8.360 nan 0.000 0.447 741 R N 0.653 121.131 120.500 -0.037 0.000 2.117 741 R HA -0.188 4.153 4.340 0.003 0.000 0.243 741 R C 2.416 178.708 176.300 -0.014 0.000 1.143 741 R CA 1.513 57.602 56.100 -0.019 0.000 0.968 741 R CB -0.156 30.137 30.300 -0.012 0.000 0.863 741 R HN 0.197 nan 8.270 nan 0.000 0.444 742 M N 0.691 120.278 119.600 -0.021 0.000 2.086 742 M HA -0.152 4.330 4.480 0.003 0.000 0.261 742 M C 1.944 178.238 176.300 -0.010 0.000 1.067 742 M CA 1.648 56.942 55.300 -0.010 0.000 1.116 742 M CB -0.383 32.208 32.600 -0.014 0.000 1.348 742 M HN 0.293 nan 8.290 nan 0.000 0.407 743 L N -0.344 120.867 121.223 -0.021 0.000 2.083 743 L HA -0.226 4.116 4.340 0.003 0.000 0.209 743 L C 2.626 179.490 176.870 -0.009 0.000 1.083 743 L CA 1.178 56.009 54.840 -0.015 0.000 0.752 743 L CB -0.602 41.444 42.059 -0.023 0.000 0.899 743 L HN 0.326 nan 8.230 nan 0.000 0.433 744 R N -0.083 120.411 120.500 -0.010 0.000 2.075 744 R HA -0.146 4.196 4.340 0.003 0.000 0.232 744 R C 2.499 178.799 176.300 -0.001 0.000 1.126 744 R CA 1.661 57.758 56.100 -0.006 0.000 0.963 744 R CB -0.773 29.523 30.300 -0.006 0.000 0.858 744 R HN 0.364 nan 8.270 nan 0.000 0.435 745 L N -0.362 120.861 121.223 0.001 0.000 2.217 745 L HA 0.020 4.361 4.340 0.003 0.000 0.211 745 L C 2.400 179.273 176.870 0.006 0.000 1.107 745 L CA 2.297 57.140 54.840 0.005 0.000 0.783 745 L CB -1.179 40.886 42.059 0.009 0.000 0.919 745 L HN 0.240 nan 8.230 nan 0.000 0.442 746 S N -1.316 114.388 115.700 0.005 0.000 2.387 746 S HA 0.185 4.656 4.470 0.003 0.000 0.226 746 S C 1.551 176.153 174.600 0.004 0.000 1.026 746 S CA 1.855 60.059 58.200 0.007 0.000 0.972 746 S CB -0.477 62.727 63.200 0.007 0.000 0.814 746 S HN 1.020 nan 8.310 nan 0.000 0.477 747 L N 0.392 121.616 121.223 0.002 0.000 2.630 747 L HA 0.788 5.130 4.340 0.003 0.000 0.170 747 L C 1.488 178.358 176.870 0.001 0.000 1.724 747 L CA 0.484 55.324 54.840 0.001 0.000 3.098 747 L CB -1.346 40.713 42.059 -0.001 0.000 2.970 747 L HN 0.491 nan 8.230 nan 0.000 0.834 748 N N -1.711 116.990 118.700 0.000 0.000 2.217 748 N HA 0.659 5.400 4.740 0.003 0.000 0.239 748 N C 0.125 175.635 175.510 -0.000 0.000 1.330 748 N CA 0.793 53.843 53.050 0.001 0.000 0.838 748 N CB -0.503 37.984 38.487 0.001 0.000 1.287 748 N HN 1.624 nan 8.380 nan 0.000 0.498 749 I N 0.000 120.569 120.570 -0.001 0.000 2.984 749 I HA 0.000 4.172 4.170 0.003 0.000 0.288 749 I CA 0.000 61.299 61.300 -0.002 0.000 1.566 749 I CB 0.000 37.998 38.000 -0.003 0.000 1.214 749 I HN 0.000 nan 8.210 nan 0.000 0.494