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 1o6l_1_A DATA FIRST_RESID 146 DATA SEQUENCE KVTMNDFDYL KLLGKGTFGK VILVREKATG RYYAMKILRK EVIIAKDEVA DATA SEQUENCE HTVTESRVLQ NTRHPFLTAL KYAFQTHDRL CFVMEYANGG ELFFHLSRER DATA SEQUENCE VFTEERARFY GAEIVSALEY LHSRDVVYRD IKLENLMLDK DGHIKITDFG DATA SEQUENCE LCKEGISDGA TMKXFCGTPE YLAPEVLEDN DYGRAVDWWG LGVVMYEMMC DATA SEQUENCE GRLPFYNQDH ERLFELILME EIRFPRTLSP EAKSLLAGLL KKDPKQRLGG DATA SEQUENCE GPSDAKEVME HRFFLSINWQ DVVQKKLLPP FKPQVTSEVD TRYFDDEFTA DATA SEQUENCE QSITXXXXXX XXXXXXXXXX XQEMFEDFDY IADW 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 146 K HA 0.000 nan 4.320 nan 0.000 0.191 146 K C 0.000 176.453 176.600 -0.245 0.000 0.988 146 K CA 0.000 56.206 56.287 -0.136 0.000 0.838 146 K CB 0.000 32.443 32.500 -0.096 0.000 1.064 147 V N 3.215 122.932 119.914 -0.329 0.000 2.427 147 V HA 0.475 4.595 4.120 -0.000 0.000 0.286 147 V C 0.399 176.047 176.094 -0.743 0.000 1.034 147 V CA -0.411 61.528 62.300 -0.601 0.000 0.893 147 V CB 1.274 32.634 31.823 -0.772 0.000 0.982 147 V HN 0.921 nan 8.190 nan 0.000 0.452 148 T N 1.536 115.710 114.554 -0.633 0.000 2.938 148 T HA 0.508 4.858 4.350 -0.000 0.000 0.285 148 T C 0.705 175.242 174.700 -0.271 0.000 1.028 148 T CA -0.768 61.087 62.100 -0.408 0.000 1.005 148 T CB 1.588 70.350 68.868 -0.176 0.000 1.157 148 T HN 0.325 nan 8.240 nan 0.000 0.550 149 M N 0.965 120.639 119.600 0.125 0.000 2.229 149 M HA 0.122 4.602 4.480 -0.000 0.000 0.264 149 M C 1.398 177.936 176.300 0.396 0.000 1.063 149 M CA 1.515 57.069 55.300 0.424 0.000 1.114 149 M CB -1.172 31.623 32.600 0.325 0.000 1.387 149 M HN 0.689 nan 8.290 nan 0.000 0.420 150 N N 0.194 118.994 118.700 0.165 0.000 2.521 150 N HA -0.071 4.669 4.740 -0.000 0.000 0.188 150 N C 0.416 175.915 175.510 -0.018 0.000 1.146 150 N CA 0.654 53.765 53.050 0.103 0.000 0.893 150 N CB -0.085 38.423 38.487 0.034 0.000 0.975 150 N HN 0.340 nan 8.380 nan 0.000 0.451 151 D N -0.629 119.680 120.400 -0.152 0.000 2.355 151 D HA 0.026 4.666 4.640 -0.000 0.000 0.218 151 D C -0.358 175.526 176.300 -0.693 0.000 1.004 151 D CA 0.583 54.292 54.000 -0.485 0.000 0.880 151 D CB 0.206 40.539 40.800 -0.779 0.000 0.911 151 D HN 0.184 nan 8.370 nan 0.000 0.528 152 F N 0.477 120.365 119.950 -0.102 0.000 2.577 152 F HA 0.315 4.842 4.527 -0.000 0.000 0.318 152 F C 0.431 176.044 175.800 -0.311 0.000 1.065 152 F CA -1.202 56.661 58.000 -0.228 0.000 0.929 152 F CB 1.550 40.341 39.000 -0.349 0.000 1.237 152 F HN -0.401 nan 8.300 nan 0.000 0.468 153 D N 0.923 121.231 120.400 -0.154 0.000 2.193 153 D HA 0.198 4.838 4.640 -0.000 0.000 0.244 153 D C -1.195 174.911 176.300 -0.323 0.000 1.064 153 D CA -0.163 53.757 54.000 -0.134 0.000 0.845 153 D CB 1.407 42.159 40.800 -0.080 0.000 1.148 153 D HN 0.340 nan 8.370 nan 0.000 0.464 154 Y N 2.091 122.440 120.300 0.082 0.000 2.434 154 Y HA 0.195 4.745 4.550 -0.000 0.000 0.341 154 Y C 1.278 177.203 175.900 0.042 0.000 0.965 154 Y CA -0.476 57.660 58.100 0.060 0.000 1.205 154 Y CB 0.830 39.325 38.460 0.058 0.000 1.121 154 Y HN 0.222 nan 8.280 nan 0.000 0.507 155 L N 2.809 124.084 121.223 0.086 0.000 2.115 155 L HA 0.176 4.516 4.340 -0.000 0.000 0.200 155 L C 0.282 177.189 176.870 0.062 0.000 1.094 155 L CA 0.673 55.553 54.840 0.068 0.000 0.769 155 L CB -0.031 42.058 42.059 0.051 0.000 0.931 155 L HN 0.417 nan 8.230 nan 0.000 0.455 156 K N -0.247 120.170 120.400 0.029 0.000 2.556 156 K HA 0.468 4.788 4.320 -0.000 0.000 0.274 156 K C -1.442 175.158 176.600 -0.001 0.000 0.966 156 K CA -0.939 55.361 56.287 0.022 0.000 0.865 156 K CB 2.213 34.719 32.500 0.010 0.000 1.444 156 K HN -0.189 nan 8.250 nan 0.000 0.433 157 L N 2.692 123.937 121.223 0.037 0.000 2.360 157 L HA 0.181 4.521 4.340 -0.000 0.000 0.276 157 L C 0.260 177.135 176.870 0.009 0.000 1.121 157 L CA 0.042 54.910 54.840 0.047 0.000 0.845 157 L CB 0.297 42.426 42.059 0.118 0.000 1.143 157 L HN 0.822 nan 8.230 nan 0.000 0.452 158 L N 4.338 125.507 121.223 -0.090 0.000 2.316 158 L HA 0.435 4.775 4.340 -0.000 0.000 0.207 158 L C 0.985 177.810 176.870 -0.074 0.000 1.070 158 L CA 0.437 55.138 54.840 -0.233 0.000 0.820 158 L CB -0.242 41.561 42.059 -0.427 0.000 0.992 158 L HN 0.780 nan 8.230 nan 0.000 0.466 159 G N -0.177 108.524 108.800 -0.165 0.000 2.720 159 G HA2 0.489 4.449 3.960 -0.000 0.000 0.295 159 G HA3 0.489 4.449 3.960 -0.000 0.000 0.295 159 G C -1.906 172.792 174.900 -0.337 0.000 1.437 159 G CA -0.361 44.447 45.100 -0.485 0.000 0.886 159 G HN -0.183 nan 8.290 nan 0.000 0.509 160 K N 0.169 120.282 120.400 -0.479 0.000 2.501 160 K HA 0.698 5.018 4.320 -0.000 0.000 0.252 160 K C -0.186 176.382 176.600 -0.053 0.000 0.934 160 K CA -0.583 55.646 56.287 -0.096 0.000 0.797 160 K CB 2.202 34.789 32.500 0.145 0.000 1.270 160 K HN 0.881 nan 8.250 nan 0.000 0.431 161 G N 0.173 108.965 108.800 -0.014 0.000 3.140 161 G HA2 0.254 4.214 3.960 -0.000 0.000 0.271 161 G HA3 0.254 4.214 3.960 -0.000 0.000 0.271 161 G C 0.278 175.128 174.900 -0.084 0.000 1.370 161 G CA -0.449 44.639 45.100 -0.020 0.000 1.014 161 G HN 0.527 nan 8.290 nan 0.000 0.541 162 T N -0.067 114.337 114.554 -0.251 0.000 3.023 162 T HA 0.035 4.385 4.350 -0.000 0.000 0.266 162 T C 1.203 175.520 174.700 -0.637 0.000 1.093 162 T CA 1.204 62.986 62.100 -0.529 0.000 1.129 162 T CB -0.205 68.133 68.868 -0.882 0.000 0.899 162 T HN 0.323 nan 8.240 nan 0.000 0.491 163 F N 0.733 120.706 119.950 0.039 0.000 2.682 163 F HA 0.554 5.081 4.527 -0.000 0.000 0.308 163 F C 1.256 177.083 175.800 0.044 0.000 1.093 163 F CA -0.680 57.345 58.000 0.042 0.000 1.244 163 F CB 0.993 40.021 39.000 0.047 0.000 1.052 163 F HN 0.207 nan 8.300 nan 0.000 0.573 164 G N 0.306 109.192 108.800 0.144 0.000 2.547 164 G HA2 0.517 4.477 3.960 -0.000 0.000 0.291 164 G HA3 0.517 4.477 3.960 -0.000 0.000 0.291 164 G C -1.857 173.082 174.900 0.065 0.000 1.471 164 G CA -1.026 44.142 45.100 0.114 0.000 0.798 164 G HN -0.093 nan 8.290 nan 0.000 0.504 165 K N -0.281 120.155 120.400 0.061 0.000 2.316 165 K HA 0.687 5.007 4.320 -0.000 0.000 0.251 165 K C -1.095 175.536 176.600 0.052 0.000 0.934 165 K CA -0.866 55.447 56.287 0.043 0.000 0.802 165 K CB 3.094 35.620 32.500 0.044 0.000 1.171 165 K HN 0.250 nan 8.250 nan 0.000 0.426 166 V N 4.488 124.419 119.914 0.028 0.000 2.378 166 V HA 0.439 4.559 4.120 -0.000 0.000 0.288 166 V C -0.433 175.672 176.094 0.020 0.000 1.016 166 V CA -0.710 61.614 62.300 0.040 0.000 0.840 166 V CB 0.994 32.838 31.823 0.036 0.000 0.994 166 V HN 0.628 nan 8.190 nan 0.000 0.431 167 I N 4.968 125.565 120.570 0.045 0.000 2.530 167 I HA 0.408 4.578 4.170 -0.000 0.000 0.297 167 I C -0.535 175.569 176.117 -0.021 0.000 1.011 167 I CA -1.000 60.322 61.300 0.038 0.000 1.107 167 I CB 2.113 40.203 38.000 0.151 0.000 1.285 167 I HN 0.413 nan 8.210 nan 0.000 0.436 168 L N 8.219 129.378 121.223 -0.106 0.000 2.369 168 L HA 0.397 4.737 4.340 -0.000 0.000 0.279 168 L C -0.200 176.607 176.870 -0.106 0.000 1.108 168 L CA 0.166 54.877 54.840 -0.214 0.000 0.852 168 L CB 0.633 42.480 42.059 -0.354 0.000 1.169 168 L HN 0.430 nan 8.230 nan 0.000 0.452 169 V N 3.321 123.182 119.914 -0.089 0.000 3.019 169 V HA 0.727 4.847 4.120 -0.000 0.000 0.317 169 V C -0.440 175.619 176.094 -0.057 0.000 1.094 169 V CA -1.039 61.193 62.300 -0.114 0.000 1.000 169 V CB 1.833 33.521 31.823 -0.226 0.000 1.060 169 V HN 0.881 nan 8.190 nan 0.000 0.443 170 R N 1.209 121.642 120.500 -0.112 0.000 2.532 170 R HA 0.417 4.757 4.340 -0.000 0.000 0.297 170 R C -0.608 175.676 176.300 -0.027 0.000 0.984 170 R CA -0.443 55.483 56.100 -0.289 0.000 0.884 170 R CB 1.868 31.814 30.300 -0.590 0.000 1.182 170 R HN 1.031 nan 8.270 nan 0.000 0.442 171 E N 3.527 123.767 120.200 0.065 0.000 2.257 171 E HA 0.028 4.378 4.350 -0.000 0.000 0.278 171 E C 0.198 176.701 176.600 -0.161 0.000 1.049 171 E CA -0.006 56.363 56.400 -0.052 0.000 0.876 171 E CB 0.971 30.755 29.700 0.139 0.000 1.035 171 E HN 0.523 nan 8.360 nan 0.000 0.419 172 K N 2.918 123.178 120.400 -0.233 0.000 2.063 172 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 172 K C 1.769 178.288 176.600 -0.135 0.000 1.048 172 K CA 1.503 57.687 56.287 -0.172 0.000 0.928 172 K CB -0.055 32.341 32.500 -0.172 0.000 0.713 172 K HN 0.530 nan 8.250 nan 0.000 0.442 173 A N 0.881 123.611 122.820 -0.150 0.000 1.968 173 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 173 A C 2.142 179.692 177.584 -0.057 0.000 1.169 173 A CA 1.943 53.918 52.037 -0.104 0.000 0.638 173 A CB -0.488 18.439 19.000 -0.122 0.000 0.812 173 A HN 0.483 nan 8.150 nan 0.000 0.446 174 T N -6.019 108.512 114.554 -0.038 0.000 3.000 174 T HA 0.421 4.771 4.350 -0.000 0.000 0.248 174 T C 1.499 176.193 174.700 -0.011 0.000 1.034 174 T CA 1.121 63.223 62.100 0.003 0.000 1.060 174 T CB 0.257 69.164 68.868 0.065 0.000 0.983 174 T HN 1.630 nan 8.240 nan 0.000 0.482 175 G N 2.010 110.774 108.800 -0.059 0.000 2.179 175 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 175 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 175 G C 0.144 174.957 174.900 -0.144 0.000 0.977 175 G CA -0.031 45.006 45.100 -0.104 0.000 0.641 175 G HN 0.693 nan 8.290 nan 0.000 0.533 176 R N -0.565 119.874 120.500 -0.101 0.000 2.441 176 R HA 0.521 4.861 4.340 -0.000 0.000 0.284 176 R C -0.465 175.622 176.300 -0.355 0.000 1.070 176 R CA -0.397 55.620 56.100 -0.138 0.000 1.047 176 R CB 0.484 30.708 30.300 -0.126 0.000 1.016 176 R HN 0.245 nan 8.270 nan 0.000 0.477 177 Y N 1.823 121.920 120.300 -0.338 0.000 2.323 177 Y HA 0.311 4.861 4.550 -0.000 0.000 0.331 177 Y C -0.240 175.385 175.900 -0.457 0.000 1.092 177 Y CA -0.117 57.818 58.100 -0.274 0.000 1.150 177 Y CB 0.882 39.273 38.460 -0.116 0.000 1.200 177 Y HN 0.435 nan 8.280 nan 0.000 0.472 178 Y N -0.113 120.316 120.300 0.214 0.000 2.638 178 Y HA 0.745 5.295 4.550 -0.000 0.000 0.339 178 Y C -0.600 175.351 175.900 0.085 0.000 1.084 178 Y CA -1.778 56.445 58.100 0.204 0.000 1.068 178 Y CB 1.722 40.292 38.460 0.183 0.000 1.294 178 Y HN 0.539 nan 8.280 nan 0.000 0.480 179 A N 2.199 125.226 122.820 0.345 0.000 2.273 179 A HA 0.635 4.955 4.320 -0.000 0.000 0.315 179 A C -0.988 176.700 177.584 0.173 0.000 1.256 179 A CA -0.591 51.568 52.037 0.203 0.000 0.851 179 A CB 0.483 19.662 19.000 0.298 0.000 1.172 179 A HN 0.763 nan 8.150 nan 0.000 0.508 180 M N 3.486 123.142 119.600 0.093 0.000 2.088 180 M HA 0.317 4.797 4.480 -0.000 0.000 0.346 180 M C -0.316 176.056 176.300 0.120 0.000 1.111 180 M CA -0.351 54.997 55.300 0.080 0.000 1.017 180 M CB 0.735 33.328 32.600 -0.012 0.000 1.568 180 M HN 0.688 nan 8.290 nan 0.000 0.445 181 K N 6.404 126.918 120.400 0.190 0.000 2.262 181 K HA 0.474 4.794 4.320 -0.000 0.000 0.282 181 K C -1.433 175.312 176.600 0.242 0.000 1.066 181 K CA -0.315 56.104 56.287 0.220 0.000 0.901 181 K CB 0.615 33.257 32.500 0.237 0.000 1.089 181 K HN 0.729 nan 8.250 nan 0.000 0.476 182 I N 6.522 127.172 120.570 0.135 0.000 2.339 182 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 182 I C -0.523 175.636 176.117 0.069 0.000 0.994 182 I CA -0.810 60.521 61.300 0.053 0.000 1.191 182 I CB 1.190 39.193 38.000 0.004 0.000 1.343 182 I HN 0.425 nan 8.210 nan 0.000 0.458 183 L N 6.261 127.503 121.223 0.032 0.000 2.362 183 L HA 0.580 4.920 4.340 -0.000 0.000 0.271 183 L C -0.215 176.621 176.870 -0.057 0.000 1.002 183 L CA -0.894 53.971 54.840 0.041 0.000 0.818 183 L CB 2.011 44.137 42.059 0.111 0.000 1.298 183 L HN 0.523 nan 8.230 nan 0.000 0.420 184 R N 1.783 122.274 120.500 -0.014 0.000 2.221 184 R HA 0.236 4.576 4.340 -0.000 0.000 0.327 184 R C 0.576 176.848 176.300 -0.047 0.000 1.033 184 R CA -0.553 55.524 56.100 -0.039 0.000 0.887 184 R CB 1.609 31.912 30.300 0.005 0.000 1.057 184 R HN 0.545 nan 8.270 nan 0.000 0.455 185 K N 1.854 122.188 120.400 -0.110 0.000 2.063 185 K HA -0.262 4.058 4.320 -0.000 0.000 0.208 185 K C 1.628 178.252 176.600 0.041 0.000 1.048 185 K CA 1.633 57.869 56.287 -0.085 0.000 0.928 185 K CB 0.112 32.537 32.500 -0.125 0.000 0.713 185 K HN 0.597 nan 8.250 nan 0.000 0.442 186 E N 0.620 120.840 120.200 0.033 0.000 2.110 186 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 186 E C 1.827 178.466 176.600 0.066 0.000 0.988 186 E CA 0.966 57.397 56.400 0.051 0.000 0.804 186 E CB 0.229 29.951 29.700 0.037 0.000 0.745 186 E HN 0.053 nan 8.360 nan 0.000 0.458 187 V N 0.891 120.850 119.914 0.075 0.000 2.453 187 V HA -0.219 3.900 4.120 -0.000 0.000 0.247 187 V C 2.230 178.393 176.094 0.115 0.000 1.048 187 V CA 1.320 63.685 62.300 0.110 0.000 1.049 187 V CB -0.308 31.601 31.823 0.144 0.000 0.672 187 V HN 0.310 nan 8.190 nan 0.000 0.457 188 I N -0.255 120.377 120.570 0.103 0.000 2.252 188 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 188 I C 2.248 178.420 176.117 0.093 0.000 1.102 188 I CA 1.705 63.064 61.300 0.099 0.000 1.385 188 I CB -0.249 37.830 38.000 0.131 0.000 1.064 188 I HN 0.214 nan 8.210 nan 0.000 0.414 189 I N 0.764 121.400 120.570 0.109 0.000 2.252 189 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 189 I C 2.746 178.888 176.117 0.042 0.000 1.102 189 I CA 1.236 62.579 61.300 0.072 0.000 1.385 189 I CB -0.455 37.594 38.000 0.082 0.000 1.064 189 I HN 0.148 nan 8.210 nan 0.000 0.414 190 A N 0.639 123.490 122.820 0.052 0.000 1.969 190 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 190 A C 2.125 179.735 177.584 0.043 0.000 1.169 190 A CA 1.425 53.490 52.037 0.046 0.000 0.635 190 A CB -0.310 18.723 19.000 0.056 0.000 0.810 190 A HN 0.339 nan 8.150 nan 0.000 0.445 191 K N -0.977 119.451 120.400 0.047 0.000 2.387 191 K HA 0.118 4.438 4.320 -0.000 0.000 0.198 191 K C -0.315 176.284 176.600 -0.002 0.000 1.022 191 K CA 0.396 56.703 56.287 0.033 0.000 1.128 191 K CB 0.151 32.677 32.500 0.043 0.000 0.853 191 K HN 0.410 nan 8.250 nan 0.000 0.523 192 D N 1.638 122.035 120.400 -0.005 0.000 2.689 192 D HA -0.150 4.490 4.640 -0.000 0.000 0.237 192 D C -0.222 176.040 176.300 -0.063 0.000 1.148 192 D CA 0.563 54.544 54.000 -0.032 0.000 0.656 192 D CB -0.318 40.461 40.800 -0.035 0.000 1.050 192 D HN 0.144 nan 8.370 nan 0.000 0.426 193 E N -0.496 119.680 120.200 -0.040 0.000 2.569 193 E HA 0.119 4.469 4.350 -0.000 0.000 0.205 193 E C 1.693 178.307 176.600 0.023 0.000 1.006 193 E CA -0.051 56.325 56.400 -0.041 0.000 0.985 193 E CB 0.525 30.197 29.700 -0.047 0.000 1.060 193 E HN 0.314 nan 8.360 nan 0.000 0.460 194 V N 0.841 120.759 119.914 0.007 0.000 2.343 194 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 194 V C 2.437 178.560 176.094 0.048 0.000 1.051 194 V CA 2.089 64.417 62.300 0.048 0.000 1.036 194 V CB -0.626 31.118 31.823 -0.131 0.000 0.654 194 V HN 0.313 nan 8.190 nan 0.000 0.451 195 A N -0.779 122.009 122.820 -0.053 0.000 1.908 195 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 195 A C 2.012 179.630 177.584 0.056 0.000 1.181 195 A CA 2.218 54.224 52.037 -0.050 0.000 0.627 195 A CB -0.884 18.020 19.000 -0.159 0.000 0.818 195 A HN 0.738 nan 8.150 nan 0.000 0.445 196 H N -1.300 117.802 119.070 0.054 0.000 2.428 196 H HA -0.054 4.502 4.556 -0.000 0.000 0.296 196 H C 2.217 177.619 175.328 0.123 0.000 1.062 196 H CA 1.282 57.363 56.048 0.055 0.000 1.350 196 H CB 0.111 29.874 29.762 0.002 0.000 1.403 196 H HN 0.490 nan 8.280 nan 0.000 0.533 197 T N -0.004 114.735 114.554 0.308 0.000 2.857 197 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 197 T C 2.233 177.228 174.700 0.492 0.000 1.048 197 T CA 0.921 63.264 62.100 0.404 0.000 1.139 197 T CB -0.196 68.912 68.868 0.399 0.000 0.874 197 T HN 0.093 nan 8.240 nan 0.000 0.455 198 V N 1.733 121.884 119.914 0.394 0.000 2.453 198 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 198 V C 2.760 178.994 176.094 0.234 0.000 1.048 198 V CA 1.766 64.283 62.300 0.361 0.000 1.049 198 V CB -1.063 30.911 31.823 0.251 0.000 0.672 198 V HN 0.503 nan 8.190 nan 0.000 0.457 199 T N -0.492 114.181 114.554 0.198 0.000 2.821 199 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 199 T C 1.847 176.627 174.700 0.133 0.000 1.046 199 T CA 1.647 63.831 62.100 0.140 0.000 1.139 199 T CB -0.142 68.812 68.868 0.144 0.000 0.871 199 T HN 0.637 nan 8.240 nan 0.000 0.454 200 E N 0.689 121.002 120.200 0.188 0.000 2.077 200 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 200 E C 2.393 179.079 176.600 0.142 0.000 0.989 200 E CA 1.243 57.738 56.400 0.158 0.000 0.800 200 E CB -0.158 29.630 29.700 0.146 0.000 0.746 200 E HN 0.359 nan 8.360 nan 0.000 0.452 201 S N -0.241 115.603 115.700 0.240 0.000 2.355 201 S HA -0.100 4.370 4.470 -0.000 0.000 0.222 201 S C 1.978 176.525 174.600 -0.088 0.000 1.031 201 S CA 1.002 59.239 58.200 0.062 0.000 0.993 201 S CB -0.126 62.888 63.200 -0.309 0.000 0.859 201 S HN 0.242 nan 8.310 nan 0.000 0.453 202 R N 0.140 120.616 120.500 -0.039 0.000 2.081 202 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 202 R C 2.229 178.463 176.300 -0.111 0.000 1.131 202 R CA 1.593 57.650 56.100 -0.072 0.000 0.960 202 R CB -0.576 29.719 30.300 -0.009 0.000 0.856 202 R HN 0.324 nan 8.270 nan 0.000 0.436 203 V N 1.255 121.114 119.914 -0.091 0.000 2.358 203 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 203 V C 2.239 178.156 176.094 -0.295 0.000 1.047 203 V CA 1.513 63.724 62.300 -0.149 0.000 1.035 203 V CB -0.335 31.438 31.823 -0.084 0.000 0.658 203 V HN 0.284 nan 8.190 nan 0.000 0.452 204 L N -0.593 120.439 121.223 -0.318 0.000 2.141 204 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 204 L C 2.635 179.325 176.870 -0.301 0.000 1.094 204 L CA 1.452 56.089 54.840 -0.339 0.000 0.763 204 L CB -0.358 41.594 42.059 -0.179 0.000 0.908 204 L HN 0.406 nan 8.230 nan 0.000 0.437 205 Q N -0.594 118.963 119.800 -0.406 0.000 2.137 205 Q HA -0.062 4.278 4.340 -0.000 0.000 0.198 205 Q C 1.154 176.943 176.000 -0.351 0.000 0.960 205 Q CA 0.891 56.267 55.803 -0.713 0.000 0.847 205 Q CB 0.119 28.410 28.738 -0.745 0.000 0.915 205 Q HN 0.499 nan 8.270 nan 0.000 0.448 206 N N 1.000 119.584 118.700 -0.194 0.000 2.268 206 N HA 0.018 4.758 4.740 -0.000 0.000 0.204 206 N C -0.430 175.081 175.510 0.002 0.000 1.124 206 N CA 0.334 53.343 53.050 -0.069 0.000 0.838 206 N CB 0.853 39.306 38.487 -0.056 0.000 0.994 206 N HN 0.212 nan 8.380 nan 0.000 0.489 207 T N -1.501 113.048 114.554 -0.007 0.000 2.856 207 T HA 0.639 4.989 4.350 -0.000 0.000 0.283 207 T C -0.306 174.442 174.700 0.079 0.000 1.008 207 T CA -0.821 61.355 62.100 0.126 0.000 0.997 207 T CB 2.658 71.566 68.868 0.067 0.000 0.992 207 T HN -0.146 nan 8.240 nan 0.000 0.454 208 R N 1.084 121.627 120.500 0.072 0.000 2.631 208 R HA 0.550 4.890 4.340 -0.000 0.000 0.289 208 R C -1.925 174.127 176.300 -0.414 0.000 1.303 208 R CA -0.451 55.574 56.100 -0.124 0.000 0.989 208 R CB 0.561 30.829 30.300 -0.053 0.000 1.208 208 R HN 0.983 nan 8.270 nan 0.000 0.461 209 H N 3.023 121.773 119.070 -0.533 0.000 3.038 209 H HA 0.342 4.898 4.556 -0.000 0.000 0.362 209 H C -1.970 173.061 175.328 -0.495 0.000 1.167 209 H CA -1.585 54.066 56.048 -0.662 0.000 1.197 209 H CB 2.338 31.596 29.762 -0.840 0.000 1.840 209 H HN 0.298 nan 8.280 nan 0.000 0.540 210 P HA -0.114 nan 4.420 nan 0.000 0.222 210 P C 0.155 177.055 177.300 -0.667 0.000 1.147 210 P CA 1.108 63.678 63.100 -0.883 0.000 0.790 210 P CB 0.212 31.166 31.700 -1.244 0.000 0.780 211 F N -0.743 119.245 119.950 0.064 0.000 2.647 211 F HA 0.329 4.856 4.527 -0.000 0.000 0.300 211 F C 1.038 176.925 175.800 0.144 0.000 1.106 211 F CA -0.561 57.522 58.000 0.138 0.000 1.313 211 F CB -0.295 38.806 39.000 0.167 0.000 1.007 211 F HN -0.231 nan 8.300 nan 0.000 0.536 212 L N 0.084 121.445 121.223 0.229 0.000 2.346 212 L HA 0.420 4.760 4.340 -0.000 0.000 0.276 212 L C 0.244 177.237 176.870 0.205 0.000 1.006 212 L CA -0.702 54.298 54.840 0.266 0.000 0.817 212 L CB 1.911 44.109 42.059 0.232 0.000 1.272 212 L HN -0.168 nan 8.230 nan 0.000 0.421 213 T N 2.545 117.286 114.554 0.312 0.000 2.867 213 T HA 0.288 4.638 4.350 -0.000 0.000 0.297 213 T C 0.337 175.159 174.700 0.204 0.000 0.989 213 T CA -0.257 62.001 62.100 0.263 0.000 1.159 213 T CB 0.819 69.885 68.868 0.331 0.000 0.928 213 T HN 0.636 nan 8.240 nan 0.000 0.538 214 A N 3.456 126.371 122.820 0.158 0.000 2.304 214 A HA 0.681 5.001 4.320 -0.000 0.000 0.301 214 A C -0.327 177.482 177.584 0.374 0.000 1.132 214 A CA -0.717 51.434 52.037 0.190 0.000 0.819 214 A CB 0.501 19.515 19.000 0.023 0.000 1.094 214 A HN 0.732 nan 8.150 nan 0.000 0.492 215 L N 1.252 122.709 121.223 0.391 0.000 2.275 215 L HA 0.527 4.867 4.340 -0.000 0.000 0.288 215 L C 0.928 178.001 176.870 0.338 0.000 1.046 215 L CA -0.077 54.969 54.840 0.344 0.000 0.805 215 L CB 1.264 43.459 42.059 0.228 0.000 1.193 215 L HN 0.872 nan 8.230 nan 0.000 0.426 216 K N 3.909 124.292 120.400 -0.029 0.000 2.108 216 K HA 0.187 4.507 4.320 -0.000 0.000 0.204 216 K C -0.776 175.412 176.600 -0.687 0.000 1.036 216 K CA 1.214 57.064 56.287 -0.728 0.000 0.965 216 K CB 0.113 31.921 32.500 -1.154 0.000 0.804 216 K HN 0.530 nan 8.250 nan 0.000 0.454 217 Y N -1.238 119.025 120.300 -0.060 0.000 2.581 217 Y HA 0.693 5.243 4.550 -0.000 0.000 0.345 217 Y C -1.054 174.955 175.900 0.181 0.000 1.036 217 Y CA -1.522 56.609 58.100 0.053 0.000 1.042 217 Y CB 2.264 40.784 38.460 0.101 0.000 1.289 217 Y HN 0.019 nan 8.280 nan 0.000 0.471 218 A N 2.622 125.671 122.820 0.381 0.000 2.414 218 A HA 0.792 5.112 4.320 -0.000 0.000 0.286 218 A C -1.554 176.207 177.584 0.296 0.000 1.073 218 A CA -0.542 51.578 52.037 0.138 0.000 0.727 218 A CB 0.175 19.082 19.000 -0.154 0.000 1.215 218 A HN 0.697 nan 8.150 nan 0.000 0.430 219 F N 0.516 120.557 119.950 0.152 0.000 2.675 219 F HA 0.873 5.400 4.527 -0.000 0.000 0.324 219 F C -0.578 175.278 175.800 0.093 0.000 1.106 219 F CA -0.956 57.126 58.000 0.136 0.000 0.970 219 F CB 1.370 40.402 39.000 0.053 0.000 1.385 219 F HN 0.668 nan 8.300 nan 0.000 0.489 220 Q N 0.302 120.175 119.800 0.122 0.000 2.416 220 Q HA 0.705 5.045 4.340 -0.000 0.000 0.281 220 Q C -1.423 174.549 176.000 -0.047 0.000 1.067 220 Q CA -0.822 54.882 55.803 -0.166 0.000 0.809 220 Q CB 2.601 31.136 28.738 -0.338 0.000 1.418 220 Q HN 0.954 nan 8.270 nan 0.000 0.411 221 T N -2.927 111.535 114.554 -0.153 0.000 2.735 221 T HA 0.341 4.691 4.350 -0.000 0.000 0.262 221 T C 0.716 175.276 174.700 -0.234 0.000 0.955 221 T CA -0.485 61.508 62.100 -0.178 0.000 1.022 221 T CB 0.412 69.234 68.868 -0.077 0.000 1.455 221 T HN 0.642 nan 8.240 nan 0.000 0.583 222 H N 0.932 119.985 119.070 -0.028 0.000 2.502 222 H HA 0.088 4.644 4.556 -0.000 0.000 0.283 222 H C 1.012 176.309 175.328 -0.051 0.000 1.015 222 H CA 1.728 57.759 56.048 -0.029 0.000 1.298 222 H CB 0.138 29.894 29.762 -0.010 0.000 1.411 222 H HN 0.776 nan 8.280 nan 0.000 0.556 223 D N -1.110 119.301 120.400 0.019 0.000 2.525 223 D HA 0.079 4.719 4.640 -0.000 0.000 0.231 223 D C 0.542 176.774 176.300 -0.114 0.000 1.216 223 D CA -0.107 53.875 54.000 -0.031 0.000 0.813 223 D CB 0.655 41.457 40.800 0.004 0.000 1.108 223 D HN 0.051 nan 8.370 nan 0.000 0.524 224 R N -0.066 120.329 120.500 -0.174 0.000 2.807 224 R HA 0.722 5.062 4.340 -0.000 0.000 0.276 224 R C -0.999 175.048 176.300 -0.421 0.000 0.979 224 R CA -0.765 55.187 56.100 -0.246 0.000 0.928 224 R CB 2.506 32.700 30.300 -0.176 0.000 1.191 224 R HN -0.084 nan 8.270 nan 0.000 0.471 225 L N 1.687 122.616 121.223 -0.491 0.000 2.356 225 L HA 0.556 4.896 4.340 -0.000 0.000 0.277 225 L C -1.049 175.516 176.870 -0.507 0.000 0.996 225 L CA -0.793 53.605 54.840 -0.737 0.000 0.822 225 L CB 1.894 43.364 42.059 -0.982 0.000 1.256 225 L HN 0.635 nan 8.230 nan 0.000 0.413 226 C N 2.889 121.836 119.300 -0.589 0.000 2.408 226 C HA 0.602 5.062 4.460 -0.000 0.000 0.321 226 C C -0.423 174.318 174.990 -0.415 0.000 1.245 226 C CA -0.946 57.740 59.018 -0.553 0.000 1.523 226 C CB 0.690 27.793 27.740 -1.062 0.000 2.178 226 C HN 0.464 nan 8.230 nan 0.000 0.488 227 F N 1.852 121.784 119.950 -0.029 0.000 2.402 227 F HA 0.457 4.984 4.527 -0.000 0.000 0.355 227 F C 0.144 175.962 175.800 0.030 0.000 1.123 227 F CA -0.713 57.302 58.000 0.024 0.000 1.021 227 F CB 1.188 40.226 39.000 0.063 0.000 1.160 227 F HN 0.260 nan 8.300 nan 0.000 0.451 228 V N 5.588 125.632 119.914 0.217 0.000 2.320 228 V HA 0.322 4.442 4.120 -0.000 0.000 0.265 228 V C 0.190 176.354 176.094 0.116 0.000 1.048 228 V CA -0.343 62.021 62.300 0.107 0.000 0.865 228 V CB 0.193 32.061 31.823 0.075 0.000 1.043 228 V HN 0.743 nan 8.190 nan 0.000 0.474 229 M N 3.239 122.972 119.600 0.222 0.000 2.573 229 M HA 0.493 4.973 4.480 -0.000 0.000 0.309 229 M C 0.381 176.950 176.300 0.449 0.000 1.202 229 M CA -0.639 54.841 55.300 0.300 0.000 0.975 229 M CB 1.431 34.201 32.600 0.284 0.000 1.600 229 M HN 0.695 nan 8.290 nan 0.000 0.479 230 E N 0.967 121.455 120.200 0.480 0.000 2.360 230 E HA 0.034 4.383 4.350 -0.000 0.000 0.269 230 E C -1.387 175.477 176.600 0.439 0.000 1.022 230 E CA -0.446 56.272 56.400 0.529 0.000 0.887 230 E CB 0.514 30.456 29.700 0.403 0.000 0.990 230 E HN 0.526 nan 8.360 nan 0.000 0.426 231 Y N 2.798 123.265 120.300 0.279 0.000 2.436 231 Y HA 0.294 4.844 4.550 -0.000 0.000 0.336 231 Y C -0.449 175.577 175.900 0.211 0.000 1.049 231 Y CA -1.123 57.111 58.100 0.222 0.000 1.294 231 Y CB 0.639 39.205 38.460 0.177 0.000 1.179 231 Y HN 0.634 nan 8.280 nan 0.000 0.520 232 A N 6.908 129.706 122.820 -0.036 0.000 2.650 232 A HA 0.225 4.545 4.320 -0.000 0.000 0.320 232 A C 0.863 178.220 177.584 -0.379 0.000 1.466 232 A CA -0.544 51.424 52.037 -0.116 0.000 1.099 232 A CB -0.570 18.477 19.000 0.079 0.000 1.136 232 A HN 0.995 nan 8.150 nan 0.000 0.532 233 N N 2.458 120.790 118.700 -0.613 0.000 2.272 233 N HA -0.161 4.579 4.740 -0.000 0.000 0.185 233 N C 1.580 177.089 175.510 -0.001 0.000 1.014 233 N CA 1.556 54.329 53.050 -0.462 0.000 0.870 233 N CB 0.161 38.515 38.487 -0.221 0.000 0.975 233 N HN 0.706 nan 8.380 nan 0.000 0.433 234 G N 0.342 109.115 108.800 -0.046 0.000 2.848 234 G HA2 0.302 4.262 3.960 -0.000 0.000 0.208 234 G HA3 0.302 4.262 3.960 -0.000 0.000 0.208 234 G C 0.817 175.661 174.900 -0.092 0.000 1.152 234 G CA 0.463 45.538 45.100 -0.042 0.000 0.789 234 G HN 0.535 nan 8.290 nan 0.000 0.531 235 G N -0.100 108.478 108.800 -0.369 0.000 2.750 235 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.228 235 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.228 235 G C -0.274 174.448 174.900 -0.296 0.000 1.367 235 G CA -0.321 44.271 45.100 -0.848 0.000 0.871 235 G HN 0.498 nan 8.290 nan 0.000 0.560 236 E N -0.699 119.362 120.200 -0.232 0.000 2.373 236 E HA 0.375 4.725 4.350 -0.000 0.000 0.263 236 E C 1.288 177.976 176.600 0.147 0.000 1.073 236 E CA -0.724 55.695 56.400 0.032 0.000 0.894 236 E CB 1.137 30.930 29.700 0.156 0.000 1.008 236 E HN 0.386 nan 8.360 nan 0.000 0.420 237 L N 2.184 123.501 121.223 0.156 0.000 2.201 237 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 237 L C 1.595 178.611 176.870 0.243 0.000 1.105 237 L CA 1.297 56.250 54.840 0.188 0.000 0.775 237 L CB -0.433 41.667 42.059 0.067 0.000 0.913 237 L HN 0.623 nan 8.230 nan 0.000 0.440 238 F N -0.959 119.027 119.950 0.059 0.000 2.134 238 F HA -0.264 4.263 4.527 -0.000 0.000 0.299 238 F C 2.251 178.061 175.800 0.016 0.000 1.097 238 F CA 1.320 59.340 58.000 0.033 0.000 1.264 238 F CB -0.695 38.339 39.000 0.056 0.000 1.001 238 F HN 0.180 nan 8.300 nan 0.000 0.479 239 F N 0.468 120.292 119.950 -0.210 0.000 2.102 239 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 239 F C 2.823 178.388 175.800 -0.392 0.000 1.105 239 F CA 2.224 59.990 58.000 -0.391 0.000 1.239 239 F CB -0.656 38.093 39.000 -0.418 0.000 0.991 239 F HN 0.017 nan 8.300 nan 0.000 0.474 240 H N -0.641 118.487 119.070 0.098 0.000 2.357 240 H HA -0.108 4.448 4.556 -0.000 0.000 0.301 240 H C 2.210 177.530 175.328 -0.012 0.000 1.082 240 H CA 1.647 57.720 56.048 0.042 0.000 1.342 240 H CB -0.696 29.107 29.762 0.068 0.000 1.389 240 H HN 0.313 nan 8.280 nan 0.000 0.511 241 L N 0.726 121.937 121.223 -0.019 0.000 2.109 241 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 241 L C 2.304 178.989 176.870 -0.308 0.000 1.086 241 L CA 1.106 55.721 54.840 -0.374 0.000 0.760 241 L CB -0.387 41.378 42.059 -0.490 0.000 0.910 241 L HN -0.015 nan 8.230 nan 0.000 0.437 242 S N -0.639 114.838 115.700 -0.371 0.000 2.383 242 S HA -0.163 4.307 4.470 -0.000 0.000 0.227 242 S C 2.065 176.454 174.600 -0.353 0.000 1.026 242 S CA 1.249 59.191 58.200 -0.429 0.000 0.981 242 S CB -0.302 62.476 63.200 -0.703 0.000 0.818 242 S HN 0.451 nan 8.310 nan 0.000 0.472 243 R N 1.254 121.532 120.500 -0.369 0.000 2.062 243 R HA 0.007 4.347 4.340 -0.000 0.000 0.229 243 R C 1.667 177.878 176.300 -0.147 0.000 1.128 243 R CA 1.336 57.267 56.100 -0.280 0.000 0.960 243 R CB -0.103 30.015 30.300 -0.303 0.000 0.855 243 R HN 0.394 nan 8.270 nan 0.000 0.432 244 E N -0.367 119.778 120.200 -0.091 0.000 2.481 244 E HA -0.027 4.323 4.350 -0.000 0.000 0.195 244 E C 0.364 176.931 176.600 -0.056 0.000 1.047 244 E CA -0.063 56.325 56.400 -0.020 0.000 0.867 244 E CB 0.394 30.168 29.700 0.123 0.000 0.858 244 E HN 0.216 nan 8.360 nan 0.000 0.513 245 R N -1.348 119.075 120.500 -0.128 0.000 2.248 245 R HA -0.188 4.152 4.340 -0.000 0.000 0.154 245 R C 0.231 176.430 176.300 -0.167 0.000 0.881 245 R CA 1.537 57.555 56.100 -0.136 0.000 1.877 245 R CB -1.805 28.441 30.300 -0.090 0.000 0.832 245 R HN 0.276 nan 8.270 nan 0.000 0.665 246 V N 0.522 120.356 119.914 -0.133 0.000 3.120 246 V HA 0.691 4.811 4.120 -0.000 0.000 0.303 246 V C -1.339 174.783 176.094 0.047 0.000 1.238 246 V CA -0.892 61.330 62.300 -0.130 0.000 1.008 246 V CB 2.185 33.968 31.823 -0.066 0.000 1.064 246 V HN 0.069 nan 8.190 nan 0.000 0.434 247 F N 2.018 121.969 119.950 0.003 0.000 2.483 247 F HA 0.697 5.224 4.527 -0.000 0.000 0.329 247 F C 0.983 176.783 175.800 0.001 0.000 1.064 247 F CA -0.569 57.440 58.000 0.014 0.000 0.986 247 F CB 1.801 40.845 39.000 0.073 0.000 1.218 247 F HN 0.694 nan 8.300 nan 0.000 0.484 248 T N -2.173 112.495 114.554 0.190 0.000 2.813 248 T HA 0.158 4.508 4.350 -0.000 0.000 0.297 248 T C 0.923 175.684 174.700 0.102 0.000 1.036 248 T CA -0.459 61.691 62.100 0.084 0.000 1.044 248 T CB 0.688 69.563 68.868 0.011 0.000 0.993 248 T HN 0.644 nan 8.240 nan 0.000 0.535 249 E N 0.092 120.337 120.200 0.076 0.000 2.153 249 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 249 E C 1.935 178.578 176.600 0.073 0.000 0.988 249 E CA 1.084 57.560 56.400 0.127 0.000 0.811 249 E CB -0.028 29.745 29.700 0.121 0.000 0.746 249 E HN 0.795 nan 8.360 nan 0.000 0.466 250 E N 1.095 121.282 120.200 -0.022 0.000 2.107 250 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 250 E C 1.955 178.506 176.600 -0.082 0.000 0.982 250 E CA 0.932 57.282 56.400 -0.084 0.000 0.809 250 E CB 0.043 29.680 29.700 -0.104 0.000 0.756 250 E HN 0.051 nan 8.360 nan 0.000 0.459 251 R N -0.441 119.995 120.500 -0.107 0.000 2.073 251 R HA 0.014 4.354 4.340 -0.000 0.000 0.229 251 R C 2.095 178.288 176.300 -0.178 0.000 1.120 251 R CA 1.290 57.226 56.100 -0.273 0.000 0.967 251 R CB -0.299 29.787 30.300 -0.357 0.000 0.862 251 R HN 0.194 nan 8.270 nan 0.000 0.436 252 A N 0.806 123.702 122.820 0.126 0.000 1.969 252 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 252 A C 2.146 179.932 177.584 0.336 0.000 1.169 252 A CA 1.339 53.575 52.037 0.332 0.000 0.635 252 A CB -0.491 18.718 19.000 0.348 0.000 0.810 252 A HN 0.402 nan 8.150 nan 0.000 0.445 253 R N -1.591 119.073 120.500 0.274 0.000 2.075 253 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 253 R C 1.895 178.349 176.300 0.257 0.000 1.126 253 R CA 1.716 57.994 56.100 0.296 0.000 0.963 253 R CB -0.471 29.764 30.300 -0.108 0.000 0.858 253 R HN 0.474 nan 8.270 nan 0.000 0.435 254 F N 0.214 120.113 119.950 -0.086 0.000 2.075 254 F HA -0.247 4.280 4.527 -0.000 0.000 0.297 254 F C 1.478 177.212 175.800 -0.109 0.000 1.113 254 F CA 1.606 59.485 58.000 -0.201 0.000 1.218 254 F CB -0.362 38.379 39.000 -0.431 0.000 0.984 254 F HN 0.013 nan 8.300 nan 0.000 0.472 255 Y N 0.563 120.980 120.300 0.196 0.000 2.181 255 Y HA -0.014 4.536 4.550 -0.000 0.000 0.288 255 Y C 2.736 178.670 175.900 0.057 0.000 1.146 255 Y CA 0.798 58.951 58.100 0.089 0.000 1.164 255 Y CB -1.572 37.002 38.460 0.190 0.000 0.982 255 Y HN 0.138 nan 8.280 nan 0.000 0.515 256 G N -0.413 108.605 108.800 0.364 0.000 2.418 256 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 256 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 256 G C 1.959 177.041 174.900 0.302 0.000 1.158 256 G CA 1.149 46.505 45.100 0.426 0.000 0.771 256 G HN 0.473 nan 8.290 nan 0.000 0.545 257 A N 0.856 123.781 122.820 0.174 0.000 1.933 257 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 257 A C 2.179 179.720 177.584 -0.072 0.000 1.175 257 A CA 1.852 53.831 52.037 -0.097 0.000 0.628 257 A CB -0.334 18.420 19.000 -0.409 0.000 0.814 257 A HN 0.465 nan 8.150 nan 0.000 0.444 258 E N -0.439 119.573 120.200 -0.313 0.000 2.107 258 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 258 E C 1.841 178.337 176.600 -0.174 0.000 0.982 258 E CA 1.064 57.113 56.400 -0.585 0.000 0.809 258 E CB -0.251 28.760 29.700 -1.149 0.000 0.756 258 E HN 0.718 nan 8.360 nan 0.000 0.459 259 I N 0.716 121.266 120.570 -0.033 0.000 2.353 259 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 259 I C 2.333 178.499 176.117 0.083 0.000 1.119 259 I CA 0.609 61.929 61.300 0.033 0.000 1.417 259 I CB -0.110 37.929 38.000 0.065 0.000 1.078 259 I HN -0.052 nan 8.210 nan 0.000 0.421 260 V N -0.149 119.860 119.914 0.159 0.000 2.343 260 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 260 V C 2.605 178.794 176.094 0.160 0.000 1.051 260 V CA 2.188 64.614 62.300 0.210 0.000 1.036 260 V CB -0.553 31.305 31.823 0.057 0.000 0.654 260 V HN 0.454 nan 8.190 nan 0.000 0.451 261 S N -0.200 115.645 115.700 0.242 0.000 2.368 261 S HA -0.189 4.281 4.470 -0.000 0.000 0.225 261 S C 2.126 176.813 174.600 0.144 0.000 1.030 261 S CA 1.673 60.066 58.200 0.321 0.000 0.999 261 S CB -0.305 63.243 63.200 0.581 0.000 0.844 261 S HN 0.617 nan 8.310 nan 0.000 0.459 262 A N 1.096 123.973 122.820 0.094 0.000 1.898 262 A HA 0.116 4.435 4.320 -0.000 0.000 0.216 262 A C 2.191 179.679 177.584 -0.159 0.000 1.181 262 A CA 1.214 53.141 52.037 -0.184 0.000 0.620 262 A CB -0.683 18.331 19.000 0.023 0.000 0.819 262 A HN 0.567 nan 8.150 nan 0.000 0.442 263 L N -0.712 120.419 121.223 -0.154 0.000 2.156 263 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 263 L C 2.702 179.366 176.870 -0.343 0.000 1.095 263 L CA 1.310 55.932 54.840 -0.362 0.000 0.770 263 L CB -0.379 41.306 42.059 -0.622 0.000 0.914 263 L HN 0.487 nan 8.230 nan 0.000 0.439 264 E N 0.125 120.294 120.200 -0.052 0.000 2.077 264 E HA -0.281 4.069 4.350 -0.000 0.000 0.193 264 E C 2.133 178.755 176.600 0.035 0.000 0.989 264 E CA 1.558 57.986 56.400 0.046 0.000 0.800 264 E CB -0.169 29.569 29.700 0.062 0.000 0.746 264 E HN 0.483 nan 8.360 nan 0.000 0.452 265 Y N 1.256 121.485 120.300 -0.118 0.000 2.145 265 Y HA -0.174 4.376 4.550 -0.000 0.000 0.286 265 Y C 2.329 178.198 175.900 -0.050 0.000 1.145 265 Y CA 1.689 59.723 58.100 -0.109 0.000 1.148 265 Y CB -0.483 37.783 38.460 -0.324 0.000 0.981 265 Y HN -0.021 nan 8.280 nan 0.000 0.507 266 L N -0.648 120.507 121.223 -0.113 0.000 2.042 266 L HA -0.304 4.036 4.340 -0.000 0.000 0.210 266 L C 2.459 179.343 176.870 0.023 0.000 1.076 266 L CA 1.919 56.715 54.840 -0.074 0.000 0.749 266 L CB -0.767 41.334 42.059 0.071 0.000 0.893 266 L HN 0.401 nan 8.230 nan 0.000 0.432 267 H N -1.311 117.717 119.070 -0.070 0.000 2.423 267 H HA -0.115 4.441 4.556 -0.000 0.000 0.297 267 H C 2.499 177.795 175.328 -0.054 0.000 1.075 267 H CA 1.070 57.102 56.048 -0.027 0.000 1.342 267 H CB 0.189 29.986 29.762 0.059 0.000 1.395 267 H HN 0.422 nan 8.280 nan 0.000 0.530 268 S N 0.719 116.432 115.700 0.021 0.000 2.453 268 S HA -0.033 4.437 4.470 -0.000 0.000 0.231 268 S C 1.746 176.272 174.600 -0.123 0.000 1.005 268 S CA 0.403 58.575 58.200 -0.046 0.000 0.949 268 S CB 0.143 63.309 63.200 -0.055 0.000 0.774 268 S HN 0.249 nan 8.310 nan 0.000 0.510 269 R N 1.104 121.477 120.500 -0.212 0.000 2.388 269 R HA 0.172 4.512 4.340 -0.000 0.000 0.247 269 R C -0.544 175.694 176.300 -0.104 0.000 0.931 269 R CA 0.376 56.349 56.100 -0.212 0.000 1.082 269 R CB -0.630 29.447 30.300 -0.371 0.000 1.135 269 R HN 0.331 nan 8.270 nan 0.000 0.525 270 D N -0.018 120.346 120.400 -0.061 0.000 2.870 270 D HA -0.126 4.514 4.640 -0.000 0.000 0.228 270 D C -0.633 175.651 176.300 -0.027 0.000 1.147 270 D CA 0.766 54.742 54.000 -0.040 0.000 0.757 270 D CB -1.487 39.290 40.800 -0.038 0.000 1.091 270 D HN 0.003 nan 8.370 nan 0.000 0.429 271 V N 0.356 120.272 119.914 0.002 0.000 2.459 271 V HA 0.509 4.629 4.120 -0.000 0.000 0.295 271 V C 0.579 176.742 176.094 0.116 0.000 1.029 271 V CA -0.870 61.460 62.300 0.049 0.000 0.874 271 V CB 2.405 34.267 31.823 0.066 0.000 0.985 271 V HN -0.063 nan 8.190 nan 0.000 0.438 272 V N 4.706 124.667 119.914 0.080 0.000 2.398 272 V HA 0.239 4.359 4.120 -0.000 0.000 0.286 272 V C 0.420 176.606 176.094 0.154 0.000 1.026 272 V CA -0.299 62.060 62.300 0.099 0.000 0.868 272 V CB 1.321 33.147 31.823 0.004 0.000 0.982 272 V HN 0.882 nan 8.190 nan 0.000 0.443 273 Y N 4.475 124.812 120.300 0.062 0.000 2.220 273 Y HA -0.050 4.500 4.550 -0.000 0.000 0.291 273 Y C 1.999 177.882 175.900 -0.027 0.000 1.129 273 Y CA 1.587 59.698 58.100 0.019 0.000 1.161 273 Y CB 0.050 38.495 38.460 -0.025 0.000 0.997 273 Y HN 0.697 nan 8.280 nan 0.000 0.522 274 R N -0.951 119.501 120.500 -0.080 0.000 3.997 274 R HA -0.268 4.071 4.340 -0.000 0.000 0.431 274 R C -0.218 175.943 176.300 -0.232 0.000 1.066 274 R CA 1.381 57.399 56.100 -0.136 0.000 1.382 274 R CB -1.897 28.335 30.300 -0.114 0.000 1.978 274 R HN 0.359 nan 8.270 nan 0.000 0.550 275 D N 0.224 120.365 120.400 -0.432 0.000 2.819 275 D HA 0.202 4.842 4.640 -0.000 0.000 0.326 275 D C -0.284 175.956 176.300 -0.100 0.000 1.408 275 D CA -0.287 53.503 54.000 -0.349 0.000 0.811 275 D CB 0.335 40.840 40.800 -0.491 0.000 1.148 275 D HN 0.057 nan 8.370 nan 0.000 0.457 276 I N 2.521 123.155 120.570 0.106 0.000 2.662 276 I HA 0.065 4.235 4.170 -0.000 0.000 0.285 276 I C 0.630 176.576 176.117 -0.286 0.000 1.161 276 I CA 0.706 62.054 61.300 0.080 0.000 1.415 276 I CB -0.282 37.772 38.000 0.090 0.000 1.385 276 I HN 0.207 nan 8.210 nan 0.000 0.552 277 K N 4.980 125.156 120.400 -0.374 0.000 2.597 277 K HA 0.404 4.724 4.320 -0.000 0.000 0.282 277 K C -0.111 176.318 176.600 -0.285 0.000 0.975 277 K CA -0.911 54.917 56.287 -0.764 0.000 0.867 277 K CB 1.106 32.915 32.500 -1.152 0.000 1.465 277 K HN 0.177 nan 8.250 nan 0.000 0.417 278 L N 0.660 121.799 121.223 -0.141 0.000 2.187 278 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 278 L C 1.450 178.330 176.870 0.017 0.000 1.100 278 L CA 1.502 56.355 54.840 0.023 0.000 0.765 278 L CB -0.401 41.758 42.059 0.167 0.000 0.904 278 L HN 0.743 nan 8.230 nan 0.000 0.437 279 E N -0.299 119.835 120.200 -0.110 0.000 2.347 279 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 279 E C 1.401 177.985 176.600 -0.027 0.000 1.008 279 E CA 0.514 56.886 56.400 -0.047 0.000 0.852 279 E CB -0.010 29.608 29.700 -0.137 0.000 0.783 279 E HN 0.360 nan 8.360 nan 0.000 0.505 280 N N -0.359 118.299 118.700 -0.070 0.000 2.236 280 N HA 0.114 4.854 4.740 -0.000 0.000 0.196 280 N C -0.593 174.884 175.510 -0.053 0.000 1.114 280 N CA 0.189 53.206 53.050 -0.055 0.000 0.859 280 N CB 0.580 39.041 38.487 -0.044 0.000 0.982 280 N HN 0.099 nan 8.380 nan 0.000 0.493 281 L N 1.443 122.645 121.223 -0.035 0.000 2.277 281 L HA 0.415 4.755 4.340 -0.000 0.000 0.284 281 L C -0.224 176.644 176.870 -0.003 0.000 1.028 281 L CA -0.337 54.484 54.840 -0.032 0.000 0.835 281 L CB 0.805 42.845 42.059 -0.032 0.000 1.215 281 L HN -0.175 nan 8.230 nan 0.000 0.425 282 M N 3.775 123.381 119.600 0.010 0.000 2.613 282 M HA 0.573 5.053 4.480 -0.000 0.000 0.301 282 M C -0.420 175.887 176.300 0.012 0.000 1.205 282 M CA -0.627 54.687 55.300 0.023 0.000 0.950 282 M CB 1.884 34.524 32.600 0.065 0.000 1.585 282 M HN 0.364 nan 8.290 nan 0.000 0.490 283 L N 1.507 122.731 121.223 0.002 0.000 2.341 283 L HA 0.349 4.689 4.340 -0.000 0.000 0.278 283 L C -0.220 176.658 176.870 0.013 0.000 1.005 283 L CA -0.959 53.883 54.840 0.003 0.000 0.818 283 L CB 1.873 43.897 42.059 -0.057 0.000 1.259 283 L HN 0.703 nan 8.230 nan 0.000 0.418 284 D N 1.899 122.335 120.400 0.059 0.000 2.447 284 D HA 0.055 4.695 4.640 -0.000 0.000 0.265 284 D C 0.884 177.179 176.300 -0.008 0.000 1.250 284 D CA -0.593 53.428 54.000 0.035 0.000 1.046 284 D CB 0.590 41.447 40.800 0.095 0.000 1.095 284 D HN 0.530 nan 8.370 nan 0.000 0.555 285 K N -0.910 119.480 120.400 -0.018 0.000 2.280 285 K HA -0.147 4.173 4.320 -0.000 0.000 0.202 285 K C 0.239 176.810 176.600 -0.049 0.000 1.047 285 K CA 1.211 57.478 56.287 -0.033 0.000 0.942 285 K CB -0.180 32.309 32.500 -0.018 0.000 0.739 285 K HN 0.258 nan 8.250 nan 0.000 0.457 286 D N 0.080 120.476 120.400 -0.008 0.000 2.346 286 D HA 0.052 4.692 4.640 -0.000 0.000 0.206 286 D C 1.068 177.282 176.300 -0.144 0.000 1.001 286 D CA 1.047 55.028 54.000 -0.032 0.000 0.871 286 D CB 0.894 41.763 40.800 0.114 0.000 0.943 286 D HN 0.522 nan 8.370 nan 0.000 0.518 287 G N 0.731 109.471 108.800 -0.100 0.000 2.148 287 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.203 287 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.203 287 G C 0.154 175.068 174.900 0.023 0.000 0.993 287 G CA -0.442 44.590 45.100 -0.112 0.000 0.661 287 G HN 0.321 nan 8.290 nan 0.000 0.518 288 H N 0.068 119.265 119.070 0.212 0.000 2.482 288 H HA 0.419 4.975 4.556 -0.000 0.000 0.344 288 H C 0.937 176.396 175.328 0.218 0.000 1.151 288 H CA -0.354 55.878 56.048 0.306 0.000 1.300 288 H CB 1.085 31.068 29.762 0.369 0.000 1.494 288 H HN 0.038 nan 8.280 nan 0.000 0.542 289 I N 2.221 122.961 120.570 0.283 0.000 2.692 289 I HA -0.048 4.122 4.170 -0.000 0.000 0.284 289 I C 0.559 176.833 176.117 0.262 0.000 1.159 289 I CA 0.337 61.728 61.300 0.153 0.000 1.423 289 I CB 0.203 38.205 38.000 0.004 0.000 1.380 289 I HN 0.244 nan 8.210 nan 0.000 0.580 290 K N 7.296 127.795 120.400 0.166 0.000 2.640 290 K HA 0.479 4.799 4.320 -0.000 0.000 0.245 290 K C -0.630 176.028 176.600 0.097 0.000 0.962 290 K CA -0.531 55.860 56.287 0.173 0.000 0.896 290 K CB 1.829 34.422 32.500 0.155 0.000 1.147 290 K HN 0.440 nan 8.250 nan 0.000 0.445 291 I N 1.874 122.489 120.570 0.075 0.000 2.471 291 I HA 0.081 4.251 4.170 -0.000 0.000 0.286 291 I C 1.036 177.086 176.117 -0.112 0.000 1.079 291 I CA 0.312 61.549 61.300 -0.105 0.000 1.398 291 I CB 1.123 38.953 38.000 -0.284 0.000 1.403 291 I HN 0.390 nan 8.210 nan 0.000 0.530 292 T N 3.409 117.843 114.554 -0.200 0.000 2.807 292 T HA 0.243 4.593 4.350 -0.000 0.000 0.277 292 T C -0.794 173.672 174.700 -0.391 0.000 1.006 292 T CA -0.233 61.764 62.100 -0.172 0.000 1.006 292 T CB 1.085 69.969 68.868 0.027 0.000 1.274 292 T HN 0.757 nan 8.240 nan 0.000 0.569 293 D N 0.242 120.496 120.400 -0.243 0.000 3.620 293 D HA -0.164 4.476 4.640 -0.000 0.000 0.237 293 D C -0.520 175.574 176.300 -0.343 0.000 1.111 293 D CA 0.501 54.371 54.000 -0.217 0.000 1.070 293 D CB -1.349 39.363 40.800 -0.146 0.000 0.891 293 D HN 0.442 nan 8.370 nan 0.000 0.412 294 F N 0.475 120.413 119.950 -0.020 0.000 2.660 294 F HA 0.365 4.892 4.527 -0.000 0.000 0.297 294 F C 2.280 178.001 175.800 -0.132 0.000 1.132 294 F CA 0.076 58.068 58.000 -0.014 0.000 1.372 294 F CB 0.549 39.573 39.000 0.040 0.000 1.003 294 F HN 0.370 nan 8.300 nan 0.000 0.524 295 G N -0.003 108.744 108.800 -0.089 0.000 2.498 295 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.219 295 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.219 295 G C 1.246 176.037 174.900 -0.181 0.000 1.119 295 G CA 0.582 45.623 45.100 -0.098 0.000 0.766 295 G HN 0.429 nan 8.290 nan 0.000 0.552 296 L N 0.394 121.445 121.223 -0.287 0.000 3.014 296 L HA 0.300 4.640 4.340 -0.000 0.000 0.263 296 L C 0.321 177.023 176.870 -0.280 0.000 1.207 296 L CA -0.849 53.763 54.840 -0.380 0.000 1.017 296 L CB 0.560 42.384 42.059 -0.392 0.000 1.360 296 L HN 0.025 nan 8.230 nan 0.000 0.560 297 C N 1.060 120.268 119.300 -0.152 0.000 2.689 297 C HA 0.217 4.677 4.460 -0.000 0.000 0.409 297 C C 0.738 175.734 174.990 0.010 0.000 1.293 297 C CA -0.002 59.002 59.018 -0.023 0.000 2.136 297 C CB 0.442 28.259 27.740 0.128 0.000 2.719 297 C HN 0.220 nan 8.230 nan 0.000 0.644 298 K N 1.956 122.374 120.400 0.030 0.000 2.426 298 K HA 0.398 4.718 4.320 -0.000 0.000 0.254 298 K C -0.490 176.125 176.600 0.026 0.000 0.936 298 K CA -0.066 56.241 56.287 0.033 0.000 0.801 298 K CB 0.833 33.341 32.500 0.014 0.000 1.139 298 K HN 0.734 nan 8.250 nan 0.000 0.424 299 E N 1.126 121.340 120.200 0.024 0.000 2.280 299 E HA 0.421 4.771 4.350 -0.000 0.000 0.261 299 E C 0.151 176.745 176.600 -0.009 0.000 1.088 299 E CA -0.223 56.181 56.400 0.008 0.000 0.915 299 E CB 0.895 30.601 29.700 0.010 0.000 1.141 299 E HN 0.799 nan 8.360 nan 0.000 0.433 300 G N 1.311 110.100 108.800 -0.017 0.000 2.198 300 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 300 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 300 G C -0.003 174.876 174.900 -0.035 0.000 1.025 300 G CA -0.184 44.902 45.100 -0.024 0.000 0.769 300 G HN 0.275 nan 8.290 nan 0.000 0.507 301 I N 2.389 122.934 120.570 -0.042 0.000 2.316 301 I HA 0.319 4.489 4.170 -0.000 0.000 0.286 301 I C 0.911 176.991 176.117 -0.062 0.000 1.107 301 I CA -0.701 60.563 61.300 -0.060 0.000 1.219 301 I CB 0.017 37.971 38.000 -0.078 0.000 1.455 301 I HN 0.330 nan 8.210 nan 0.000 0.498 302 S N 3.778 119.450 115.700 -0.047 0.000 2.578 302 S HA 0.542 5.012 4.470 -0.000 0.000 0.283 302 S C 0.297 174.878 174.600 -0.031 0.000 1.195 302 S CA -0.582 57.596 58.200 -0.035 0.000 1.050 302 S CB 2.341 65.526 63.200 -0.024 0.000 1.012 302 S HN 0.582 nan 8.310 nan 0.000 0.511 303 D N 2.540 122.929 120.400 -0.018 0.000 4.049 303 D HA -0.229 4.411 4.640 -0.000 0.000 0.154 303 D C 1.084 177.378 176.300 -0.009 0.000 0.764 303 D CA 2.215 56.212 54.000 -0.005 0.000 1.058 303 D CB -1.539 39.261 40.800 -0.001 0.000 0.472 303 D HN 0.899 nan 8.370 nan 0.000 0.449 304 G N 0.571 109.365 108.800 -0.009 0.000 3.523 304 G HA2 0.506 4.465 3.960 -0.000 0.000 0.270 304 G HA3 0.506 4.465 3.960 -0.000 0.000 0.270 304 G C 0.335 175.219 174.900 -0.026 0.000 1.134 304 G CA 0.783 45.878 45.100 -0.008 0.000 0.825 304 G HN 0.669 nan 8.290 nan 0.000 0.534 305 A N 0.790 123.586 122.820 -0.041 0.000 2.466 305 A HA 0.583 4.903 4.320 -0.000 0.000 0.238 305 A C 0.933 178.468 177.584 -0.083 0.000 1.074 305 A CA 0.572 52.575 52.037 -0.057 0.000 0.774 305 A CB 0.198 19.164 19.000 -0.057 0.000 1.015 305 A HN 0.592 nan 8.150 nan 0.000 0.498 306 T N -0.545 113.946 114.554 -0.106 0.000 2.942 306 T HA 0.770 5.120 4.350 -0.000 0.000 0.289 306 T C -0.239 174.313 174.700 -0.247 0.000 1.044 306 T CA -0.719 61.276 62.100 -0.174 0.000 1.023 306 T CB 1.090 69.866 68.868 -0.154 0.000 1.123 306 T HN 0.535 nan 8.240 nan 0.000 0.512 307 M N 0.937 120.260 119.600 -0.463 0.000 2.591 307 M HA 0.559 5.039 4.480 -0.000 0.000 0.306 307 M C -0.289 175.611 176.300 -0.666 0.000 1.190 307 M CA -0.794 54.185 55.300 -0.535 0.000 0.889 307 M CB 2.751 34.983 32.600 -0.613 0.000 1.728 307 M HN 0.585 nan 8.290 nan 0.000 0.458 311 C N 2.612 121.826 119.300 -0.143 0.000 3.318 311 C HA 1.082 5.542 4.460 -0.000 0.000 0.322 311 C C 0.184 175.014 174.990 -0.268 0.000 1.398 311 C CA 0.028 58.891 59.018 -0.257 0.000 1.339 311 C CB 1.262 28.912 27.740 -0.151 0.000 1.668 311 C HN 1.903 nan 8.230 nan 0.000 0.462 312 G N 0.427 109.081 108.800 -0.243 0.000 2.250 312 G HA2 0.430 4.390 3.960 -0.000 0.000 0.252 312 G HA3 0.430 4.390 3.960 -0.000 0.000 0.252 312 G C -0.943 173.872 174.900 -0.142 0.000 1.325 312 G CA 0.060 45.046 45.100 -0.191 0.000 1.091 312 G HN 1.331 nan 8.290 nan 0.000 0.476 313 T N 2.648 117.168 114.554 -0.057 0.000 2.812 313 T HA 0.590 4.940 4.350 -0.000 0.000 0.282 313 T C -1.453 173.310 174.700 0.104 0.000 0.990 313 T CA -0.624 61.490 62.100 0.024 0.000 0.960 313 T CB 2.350 71.241 68.868 0.039 0.000 0.948 313 T HN 0.252 nan 8.240 nan 0.000 0.438 314 P HA -0.199 nan 4.420 nan 0.000 0.219 314 P C 1.090 178.533 177.300 0.239 0.000 1.161 314 P CA 1.361 64.534 63.100 0.121 0.000 0.909 314 P CB 0.251 31.808 31.700 -0.238 0.000 0.793 315 E N -2.803 117.530 120.200 0.222 0.000 2.338 315 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 315 E C 1.151 177.783 176.600 0.054 0.000 1.007 315 E CA 0.949 57.446 56.400 0.161 0.000 0.849 315 E CB -0.574 29.191 29.700 0.109 0.000 0.774 315 E HN 0.496 nan 8.360 nan 0.000 0.506 316 Y N -0.538 119.881 120.300 0.199 0.000 2.467 316 Y HA 0.256 4.806 4.550 -0.000 0.000 0.250 316 Y C 0.296 176.379 175.900 0.306 0.000 1.155 316 Y CA -0.425 57.832 58.100 0.261 0.000 1.249 316 Y CB 0.397 38.945 38.460 0.146 0.000 1.146 316 Y HN -0.118 nan 8.280 nan 0.000 0.524 317 L N 1.144 122.513 121.223 0.244 0.000 2.490 317 L HA 0.181 4.521 4.340 -0.000 0.000 0.274 317 L C 0.743 177.418 176.870 -0.325 0.000 1.201 317 L CA -0.461 54.358 54.840 -0.035 0.000 0.869 317 L CB 0.363 42.321 42.059 -0.169 0.000 1.123 317 L HN 0.124 nan 8.230 nan 0.000 0.484 318 A N 5.338 127.789 122.820 -0.615 0.000 2.371 318 A HA 0.343 4.663 4.320 -0.000 0.000 0.257 318 A C -1.590 175.467 177.584 -0.878 0.000 1.089 318 A CA -1.228 50.072 52.037 -1.227 0.000 0.794 318 A CB 0.240 18.834 19.000 -0.677 0.000 1.029 318 A HN 0.605 nan 8.150 nan 0.000 0.488 319 P HA -0.229 nan 4.420 nan 0.000 0.216 319 P C 1.352 178.420 177.300 -0.386 0.000 1.150 319 P CA 1.720 64.477 63.100 -0.572 0.000 0.843 319 P CB 0.147 31.547 31.700 -0.499 0.000 0.787 320 E N -0.278 119.720 120.200 -0.337 0.000 2.204 320 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 320 E C 1.697 178.161 176.600 -0.226 0.000 0.989 320 E CA 1.264 57.540 56.400 -0.207 0.000 0.824 320 E CB -1.254 28.384 29.700 -0.103 0.000 0.756 320 E HN 0.125 nan 8.360 nan 0.000 0.477 321 V N 1.369 121.064 119.914 -0.364 0.000 2.809 321 V HA -0.110 4.010 4.120 -0.000 0.000 0.256 321 V C 2.283 178.210 176.094 -0.278 0.000 1.080 321 V CA 0.947 63.010 62.300 -0.395 0.000 1.102 321 V CB -0.437 31.062 31.823 -0.539 0.000 0.705 321 V HN 0.198 nan 8.190 nan 0.000 0.475 322 L N -0.322 120.700 121.223 -0.336 0.000 2.612 322 L HA 0.205 4.545 4.340 -0.000 0.000 0.230 322 L C 0.681 177.342 176.870 -0.347 0.000 1.140 322 L CA 0.377 54.979 54.840 -0.397 0.000 0.896 322 L CB -0.097 41.716 42.059 -0.410 0.000 1.065 322 L HN 0.388 nan 8.230 nan 0.000 0.447 323 E N -0.777 119.255 120.200 -0.280 0.000 2.249 323 E HA 0.245 4.595 4.350 -0.000 0.000 0.263 323 E C -0.849 175.633 176.600 -0.196 0.000 0.950 323 E CA -0.990 55.286 56.400 -0.208 0.000 0.827 323 E CB 1.486 31.099 29.700 -0.146 0.000 1.220 323 E HN -0.036 nan 8.360 nan 0.000 0.411 324 D N 1.224 121.530 120.400 -0.156 0.000 2.361 324 D HA 0.046 4.686 4.640 -0.000 0.000 0.239 324 D C 0.694 176.950 176.300 -0.072 0.000 1.200 324 D CA 0.406 54.330 54.000 -0.128 0.000 0.915 324 D CB 0.442 41.180 40.800 -0.103 0.000 1.170 324 D HN 0.552 nan 8.370 nan 0.000 0.444 325 N N -0.530 118.138 118.700 -0.054 0.000 1.597 325 N HA -0.200 4.540 4.740 -0.000 0.000 0.143 325 N C -1.095 174.415 175.510 0.001 0.000 0.872 325 N CA 0.894 53.926 53.050 -0.030 0.000 0.924 325 N CB -0.676 37.791 38.487 -0.033 0.000 1.077 325 N HN 0.605 nan 8.380 nan 0.000 0.604 326 D N -0.073 120.315 120.400 -0.020 0.000 2.387 326 D HA 0.551 5.191 4.640 -0.000 0.000 0.255 326 D C -0.511 175.801 176.300 0.019 0.000 1.081 326 D CA 0.110 54.069 54.000 -0.068 0.000 0.994 326 D CB 0.563 41.283 40.800 -0.133 0.000 1.127 326 D HN 0.548 nan 8.370 nan 0.000 0.513 327 Y N -3.287 116.993 120.300 -0.035 0.000 2.588 327 Y HA 0.725 5.275 4.550 -0.000 0.000 0.343 327 Y C -0.021 175.864 175.900 -0.025 0.000 1.065 327 Y CA -1.424 56.657 58.100 -0.033 0.000 1.038 327 Y CB 1.128 39.562 38.460 -0.043 0.000 1.297 327 Y HN 0.557 nan 8.280 nan 0.000 0.467 328 G N 0.735 109.619 108.800 0.139 0.000 2.642 328 G HA2 0.383 4.343 3.960 -0.000 0.000 0.291 328 G HA3 0.383 4.343 3.960 -0.000 0.000 0.291 328 G C 0.167 175.137 174.900 0.117 0.000 1.345 328 G CA -0.980 44.158 45.100 0.063 0.000 1.043 328 G HN 0.960 nan 8.290 nan 0.000 0.528 329 R N -1.310 119.201 120.500 0.018 0.000 2.293 329 R HA 0.095 4.435 4.340 -0.000 0.000 0.219 329 R C 1.978 178.311 176.300 0.056 0.000 1.091 329 R CA 1.337 57.393 56.100 -0.073 0.000 1.004 329 R CB -0.366 29.721 30.300 -0.356 0.000 0.865 329 R HN 0.323 nan 8.270 nan 0.000 0.469 330 A N 1.883 124.822 122.820 0.197 0.000 2.178 330 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 330 A C 2.296 180.046 177.584 0.277 0.000 1.157 330 A CA 1.197 53.447 52.037 0.355 0.000 0.689 330 A CB -0.460 18.735 19.000 0.325 0.000 0.787 330 A HN 0.342 nan 8.150 nan 0.000 0.465 331 V N -2.324 117.690 119.914 0.167 0.000 2.594 331 V HA -0.200 3.920 4.120 -0.000 0.000 0.253 331 V C 1.591 177.772 176.094 0.145 0.000 1.069 331 V CA 2.244 64.620 62.300 0.127 0.000 1.082 331 V CB -0.741 31.088 31.823 0.011 0.000 0.680 331 V HN 0.381 nan 8.190 nan 0.000 0.469 332 D N -0.123 120.282 120.400 0.008 0.000 2.224 332 D HA -0.090 4.550 4.640 -0.000 0.000 0.205 332 D C 1.785 177.970 176.300 -0.191 0.000 0.965 332 D CA 1.493 55.407 54.000 -0.144 0.000 0.852 332 D CB -0.276 40.333 40.800 -0.319 0.000 0.947 332 D HN 0.751 nan 8.370 nan 0.000 0.494 333 W N 0.236 121.687 121.300 0.251 0.000 2.518 333 W HA -0.006 4.654 4.660 -0.000 0.000 0.273 333 W C 2.327 178.976 176.519 0.215 0.000 1.247 333 W CA -0.476 56.989 57.345 0.199 0.000 1.288 333 W CB -0.368 29.200 29.460 0.180 0.000 1.107 333 W HN 0.037 nan 8.180 nan 0.000 0.586 334 W N 1.543 122.997 121.300 0.257 0.000 2.379 334 W HA -0.099 4.561 4.660 -0.000 0.000 0.307 334 W C 1.932 178.564 176.519 0.189 0.000 1.200 334 W CA 2.166 59.629 57.345 0.196 0.000 1.297 334 W CB -1.006 28.535 29.460 0.136 0.000 1.140 334 W HN -0.034 nan 8.180 nan 0.000 0.507 335 G N 1.870 110.888 108.800 0.363 0.000 2.440 335 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.218 335 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.218 335 G C 1.424 176.436 174.900 0.187 0.000 1.154 335 G CA 1.287 46.564 45.100 0.295 0.000 0.767 335 G HN 0.318 nan 8.290 nan 0.000 0.552 336 L N 1.543 122.865 121.223 0.165 0.000 2.083 336 L HA 0.151 4.491 4.340 -0.000 0.000 0.209 336 L C 2.751 179.699 176.870 0.131 0.000 1.083 336 L CA 2.349 57.296 54.840 0.178 0.000 0.752 336 L CB -0.936 41.296 42.059 0.289 0.000 0.899 336 L HN 0.148 nan 8.230 nan 0.000 0.433 337 G N -1.050 107.781 108.800 0.052 0.000 2.422 337 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 337 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 337 G C 1.475 176.303 174.900 -0.119 0.000 1.146 337 G CA 1.066 46.122 45.100 -0.074 0.000 0.769 337 G HN 0.346 nan 8.290 nan 0.000 0.547 338 V N 1.256 121.060 119.914 -0.184 0.000 2.358 338 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 338 V C 3.185 179.317 176.094 0.064 0.000 1.047 338 V CA 1.766 63.976 62.300 -0.149 0.000 1.035 338 V CB -0.483 31.233 31.823 -0.178 0.000 0.658 338 V HN 0.406 nan 8.190 nan 0.000 0.452 339 V N -2.779 117.245 119.914 0.184 0.000 2.515 339 V HA -0.202 3.917 4.120 -0.000 0.000 0.250 339 V C 2.332 178.516 176.094 0.149 0.000 1.058 339 V CA 1.679 64.103 62.300 0.208 0.000 1.064 339 V CB -0.765 31.184 31.823 0.211 0.000 0.675 339 V HN 0.359 nan 8.190 nan 0.000 0.461 340 M N -0.642 119.031 119.600 0.121 0.000 2.175 340 M HA -0.032 4.448 4.480 -0.000 0.000 0.264 340 M C 2.275 178.590 176.300 0.025 0.000 1.063 340 M CA 1.857 57.203 55.300 0.077 0.000 1.119 340 M CB -1.248 31.358 32.600 0.010 0.000 1.377 340 M HN 0.607 nan 8.290 nan 0.000 0.415 341 Y N 1.546 121.800 120.300 -0.076 0.000 2.163 341 Y HA -0.185 4.365 4.550 -0.000 0.000 0.288 341 Y C 2.201 178.053 175.900 -0.081 0.000 1.136 341 Y CA 1.868 59.912 58.100 -0.094 0.000 1.147 341 Y CB -0.159 38.205 38.460 -0.161 0.000 0.987 341 Y HN 0.320 nan 8.280 nan 0.000 0.509 342 E N -0.425 119.855 120.200 0.134 0.000 2.077 342 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 342 E C 2.177 178.732 176.600 -0.075 0.000 0.989 342 E CA 1.663 58.090 56.400 0.046 0.000 0.800 342 E CB -0.222 29.517 29.700 0.064 0.000 0.746 342 E HN 0.553 nan 8.360 nan 0.000 0.452 343 M N -0.423 119.147 119.600 -0.050 0.000 2.175 343 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 343 M C 2.127 178.395 176.300 -0.054 0.000 1.063 343 M CA 1.339 56.585 55.300 -0.090 0.000 1.119 343 M CB -0.016 32.691 32.600 0.179 0.000 1.377 343 M HN 0.152 nan 8.290 nan 0.000 0.415 344 M N -1.840 117.714 119.600 -0.075 0.000 2.516 344 M HA -0.003 4.477 4.480 -0.000 0.000 0.259 344 M C 1.337 177.525 176.300 -0.188 0.000 1.146 344 M CA 0.457 55.699 55.300 -0.097 0.000 1.122 344 M CB 0.387 32.923 32.600 -0.107 0.000 1.341 344 M HN 0.323 nan 8.290 nan 0.000 0.478 345 C N -0.239 118.878 119.300 -0.305 0.000 3.228 345 C HA 0.438 4.898 4.460 -0.000 0.000 0.290 345 C C 1.659 176.540 174.990 -0.182 0.000 1.301 345 C CA -0.027 58.790 59.018 -0.335 0.000 1.703 345 C CB -0.360 26.926 27.740 -0.756 0.000 2.141 345 C HN 0.790 nan 8.230 nan 0.000 0.656 346 G N 2.212 110.924 108.800 -0.147 0.000 2.155 346 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.257 346 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.257 346 G C 0.006 174.870 174.900 -0.061 0.000 0.983 346 G CA 0.754 45.789 45.100 -0.108 0.000 0.676 346 G HN 0.810 nan 8.290 nan 0.000 0.528 347 R N -1.931 118.566 120.500 -0.006 0.000 2.728 347 R HA 0.727 5.066 4.340 -0.000 0.000 0.274 347 R C -0.570 175.789 176.300 0.097 0.000 1.030 347 R CA -1.312 54.804 56.100 0.027 0.000 0.876 347 R CB 0.678 30.997 30.300 0.032 0.000 1.259 347 R HN 0.129 nan 8.270 nan 0.000 0.468 348 L N 1.968 123.183 121.223 -0.013 0.000 2.439 348 L HA 0.261 4.601 4.340 -0.000 0.000 0.269 348 L C -1.183 175.521 176.870 -0.277 0.000 1.179 348 L CA -1.842 52.931 54.840 -0.113 0.000 0.828 348 L CB 1.036 43.026 42.059 -0.116 0.000 1.106 348 L HN 0.643 nan 8.230 nan 0.000 0.467 349 P HA -0.106 nan 4.420 nan 0.000 0.219 349 P C -0.324 176.266 177.300 -1.182 0.000 1.150 349 P CA 1.317 63.553 63.100 -1.439 0.000 0.814 349 P CB 0.209 30.793 31.700 -1.859 0.000 0.787 350 F N -1.296 118.553 119.950 -0.169 0.000 2.561 350 F HA 0.529 5.056 4.527 -0.000 0.000 0.313 350 F C -0.425 175.422 175.800 0.079 0.000 1.126 350 F CA -1.176 56.803 58.000 -0.035 0.000 0.918 350 F CB 1.462 40.464 39.000 0.003 0.000 1.199 350 F HN -0.234 nan 8.300 nan 0.000 0.444 351 Y N 2.909 123.278 120.300 0.115 0.000 2.519 351 Y HA 0.573 5.123 4.550 -0.000 0.000 0.336 351 Y C -1.551 174.380 175.900 0.051 0.000 1.089 351 Y CA -1.119 57.019 58.100 0.063 0.000 1.025 351 Y CB 1.853 40.325 38.460 0.020 0.000 1.318 351 Y HN 0.700 nan 8.280 nan 0.000 0.452 352 N N 3.466 121.539 118.700 -1.044 0.000 2.647 352 N HA 0.064 4.804 4.740 -0.000 0.000 0.259 352 N C -0.301 174.657 175.510 -0.919 0.000 1.098 352 N CA -0.190 52.395 53.050 -0.776 0.000 0.984 352 N CB 1.906 40.197 38.487 -0.327 0.000 1.683 352 N HN 0.852 nan 8.380 nan 0.000 0.501 353 Q N 0.662 120.105 119.800 -0.595 0.000 2.226 353 Q HA -0.005 4.335 4.340 -0.000 0.000 0.204 353 Q C -0.140 175.718 176.000 -0.236 0.000 0.975 353 Q CA 1.340 56.971 55.803 -0.286 0.000 0.866 353 Q CB -0.074 28.610 28.738 -0.090 0.000 0.915 353 Q HN 0.524 nan 8.270 nan 0.000 0.440 354 D N -0.330 119.925 120.400 -0.241 0.000 2.280 354 D HA 0.099 4.739 4.640 -0.000 0.000 0.243 354 D C 0.153 176.313 176.300 -0.233 0.000 1.129 354 D CA -0.302 53.561 54.000 -0.228 0.000 0.848 354 D CB 0.636 41.335 40.800 -0.168 0.000 1.107 354 D HN 0.241 nan 8.370 nan 0.000 0.471 355 H N 2.151 121.001 119.070 -0.366 0.000 2.387 355 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 355 H C 1.205 175.999 175.328 -0.889 0.000 1.099 355 H CA 0.913 56.536 56.048 -0.708 0.000 1.315 355 H CB 0.525 29.896 29.762 -0.652 0.000 1.380 355 H HN 0.595 nan 8.280 nan 0.000 0.513 356 E N 0.481 120.496 120.200 -0.307 0.000 2.077 356 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 356 E C 2.289 178.816 176.600 -0.120 0.000 0.989 356 E CA 0.486 56.792 56.400 -0.156 0.000 0.800 356 E CB 0.165 29.831 29.700 -0.056 0.000 0.746 356 E HN 0.356 nan 8.360 nan 0.000 0.452 357 R N 0.511 120.926 120.500 -0.143 0.000 2.090 357 R HA -0.069 4.271 4.340 -0.000 0.000 0.228 357 R C 2.452 178.688 176.300 -0.106 0.000 1.110 357 R CA 0.492 56.529 56.100 -0.104 0.000 0.973 357 R CB -0.760 29.474 30.300 -0.109 0.000 0.869 357 R HN 0.188 nan 8.270 nan 0.000 0.440 358 L N 0.409 121.524 121.223 -0.180 0.000 2.046 358 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 358 L C 2.053 178.947 176.870 0.040 0.000 1.077 358 L CA 1.636 56.404 54.840 -0.121 0.000 0.747 358 L CB -0.602 41.337 42.059 -0.199 0.000 0.896 358 L HN 0.034 nan 8.230 nan 0.000 0.432 359 F N -0.235 119.682 119.950 -0.053 0.000 2.234 359 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 359 F C 2.360 178.084 175.800 -0.127 0.000 1.087 359 F CA 0.799 58.749 58.000 -0.082 0.000 1.340 359 F CB -0.204 38.775 39.000 -0.035 0.000 1.031 359 F HN 0.212 nan 8.300 nan 0.000 0.500 360 E N 0.725 120.971 120.200 0.077 0.000 2.106 360 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 360 E C 2.225 178.773 176.600 -0.087 0.000 0.984 360 E CA 0.827 57.220 56.400 -0.012 0.000 0.806 360 E CB -0.120 29.572 29.700 -0.013 0.000 0.750 360 E HN 0.446 nan 8.360 nan 0.000 0.458 361 L N 0.580 121.743 121.223 -0.101 0.000 2.027 361 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 361 L C 2.419 178.915 176.870 -0.623 0.000 1.074 361 L CA 0.928 55.654 54.840 -0.190 0.000 0.745 361 L CB -0.336 41.712 42.059 -0.020 0.000 0.898 361 L HN 0.159 nan 8.230 nan 0.000 0.433 362 I N -0.331 119.888 120.570 -0.586 0.000 2.286 362 I HA -0.312 3.857 4.170 -0.000 0.000 0.248 362 I C 2.340 178.130 176.117 -0.544 0.000 1.115 362 I CA 1.431 62.268 61.300 -0.770 0.000 1.392 362 I CB -0.140 37.695 38.000 -0.274 0.000 1.065 362 I HN 0.232 nan 8.210 nan 0.000 0.418 363 L N -0.657 120.367 121.223 -0.331 0.000 2.162 363 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 363 L C 2.265 179.030 176.870 -0.174 0.000 1.086 363 L CA 0.771 55.470 54.840 -0.235 0.000 0.778 363 L CB -0.138 41.822 42.059 -0.165 0.000 0.928 363 L HN 0.243 nan 8.230 nan 0.000 0.446 364 M N -1.654 117.848 119.600 -0.163 0.000 2.653 364 M HA 0.164 4.644 4.480 -0.000 0.000 0.259 364 M C 0.607 176.874 176.300 -0.054 0.000 1.244 364 M CA 0.251 55.497 55.300 -0.089 0.000 1.163 364 M CB -0.508 32.056 32.600 -0.060 0.000 1.309 364 M HN -0.079 nan 8.290 nan 0.000 0.509 365 E N 3.341 123.494 120.200 -0.078 0.000 2.331 365 E HA 0.134 4.484 4.350 -0.000 0.000 0.272 365 E C -0.515 176.205 176.600 0.201 0.000 1.036 365 E CA -0.028 56.411 56.400 0.066 0.000 0.864 365 E CB 0.740 30.530 29.700 0.149 0.000 1.035 365 E HN 0.307 nan 8.360 nan 0.000 0.408 366 E N 4.380 124.678 120.200 0.164 0.000 2.249 366 E HA 0.287 4.637 4.350 -0.000 0.000 0.280 366 E C 0.115 176.760 176.600 0.076 0.000 1.016 366 E CA -0.695 55.789 56.400 0.141 0.000 0.830 366 E CB 0.772 30.510 29.700 0.064 0.000 1.081 366 E HN 0.512 nan 8.360 nan 0.000 0.395 367 I N -0.142 120.404 120.570 -0.041 0.000 2.754 367 I HA 0.249 4.419 4.170 -0.000 0.000 0.285 367 I C 0.076 175.874 176.117 -0.531 0.000 1.166 367 I CA -0.534 60.528 61.300 -0.396 0.000 1.417 367 I CB 0.308 37.980 38.000 -0.548 0.000 1.382 367 I HN 0.392 nan 8.210 nan 0.000 0.588 368 R N 3.964 124.156 120.500 -0.515 0.000 2.732 368 R HA 0.725 5.065 4.340 -0.000 0.000 0.278 368 R C -1.510 174.511 176.300 -0.465 0.000 0.976 368 R CA -0.647 55.206 56.100 -0.412 0.000 0.963 368 R CB 1.907 32.117 30.300 -0.151 0.000 1.150 368 R HN 0.472 nan 8.270 nan 0.000 0.478 369 F N 0.605 120.589 119.950 0.058 0.000 2.565 369 F HA 0.417 4.944 4.527 -0.000 0.000 0.313 369 F C -1.921 173.863 175.800 -0.027 0.000 1.091 369 F CA -2.799 55.203 58.000 0.003 0.000 0.915 369 F CB 1.126 40.120 39.000 -0.012 0.000 1.208 369 F HN 0.249 nan 8.300 nan 0.000 0.453 370 P HA 0.274 nan 4.420 nan 0.000 0.268 370 P C 0.616 177.953 177.300 0.062 0.000 1.204 370 P CA -0.256 62.876 63.100 0.053 0.000 0.768 370 P CB 0.814 32.511 31.700 -0.005 0.000 0.842 371 R N 0.849 121.377 120.500 0.046 0.000 2.117 371 R HA -0.134 4.206 4.340 -0.000 0.000 0.243 371 R C 1.737 178.046 176.300 0.015 0.000 1.143 371 R CA 2.058 58.180 56.100 0.037 0.000 0.968 371 R CB -0.882 29.434 30.300 0.027 0.000 0.863 371 R HN 0.644 nan 8.270 nan 0.000 0.444 372 T N -1.258 113.298 114.554 0.004 0.000 3.118 372 T HA 0.042 4.392 4.350 -0.000 0.000 0.260 372 T C 0.733 175.422 174.700 -0.018 0.000 1.139 372 T CA -0.131 61.965 62.100 -0.007 0.000 1.085 372 T CB -0.037 68.826 68.868 -0.009 0.000 0.934 372 T HN -0.059 nan 8.240 nan 0.000 0.518 373 L N 4.048 125.254 121.223 -0.027 0.000 2.453 373 L HA 0.316 4.656 4.340 -0.000 0.000 0.272 373 L C 0.708 177.541 176.870 -0.062 0.000 1.182 373 L CA -0.245 54.562 54.840 -0.056 0.000 0.858 373 L CB 0.498 42.503 42.059 -0.091 0.000 1.120 373 L HN 0.442 nan 8.230 nan 0.000 0.474 374 S N 6.093 121.767 115.700 -0.042 0.000 2.566 374 S HA 0.189 4.659 4.470 -0.000 0.000 0.280 374 S C -1.542 173.024 174.600 -0.056 0.000 1.343 374 S CA -0.456 57.728 58.200 -0.028 0.000 1.036 374 S CB 0.318 63.524 63.200 0.011 0.000 0.866 374 S HN 0.685 nan 8.310 nan 0.000 0.526 375 P HA -0.179 nan 4.420 nan 0.000 0.218 375 P C 1.387 178.666 177.300 -0.034 0.000 1.148 375 P CA 1.375 64.442 63.100 -0.056 0.000 0.822 375 P CB -0.081 31.601 31.700 -0.030 0.000 0.784 376 E N 0.614 120.835 120.200 0.035 0.000 2.152 376 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 376 E C 1.937 178.632 176.600 0.159 0.000 0.983 376 E CA 1.273 57.763 56.400 0.151 0.000 0.818 376 E CB -1.004 28.805 29.700 0.181 0.000 0.758 376 E HN 0.157 nan 8.360 nan 0.000 0.467 377 A N 1.872 124.718 122.820 0.045 0.000 1.930 377 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 377 A C 2.170 179.509 177.584 -0.408 0.000 1.176 377 A CA 1.202 53.095 52.037 -0.240 0.000 0.632 377 A CB -0.256 18.671 19.000 -0.121 0.000 0.819 377 A HN 0.142 nan 8.150 nan 0.000 0.445 378 K N -0.292 119.847 120.400 -0.435 0.000 2.097 378 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 378 K C 2.388 178.635 176.600 -0.588 0.000 1.049 378 K CA 1.394 57.169 56.287 -0.852 0.000 0.933 378 K CB -0.184 31.868 32.500 -0.747 0.000 0.717 378 K HN 0.444 nan 8.250 nan 0.000 0.442 379 S N 1.070 116.621 115.700 -0.248 0.000 2.368 379 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 379 S C 1.929 176.468 174.600 -0.101 0.000 1.029 379 S CA 0.738 58.915 58.200 -0.038 0.000 0.988 379 S CB -0.122 63.173 63.200 0.159 0.000 0.838 379 S HN 0.235 nan 8.310 nan 0.000 0.462 380 L N 1.531 122.544 121.223 -0.351 0.000 1.994 380 L HA 0.075 4.415 4.340 -0.000 0.000 0.208 380 L C 2.193 178.852 176.870 -0.351 0.000 1.071 380 L CA 1.698 56.134 54.840 -0.673 0.000 0.745 380 L CB -0.504 41.025 42.059 -0.884 0.000 0.892 380 L HN 0.367 nan 8.230 nan 0.000 0.431 381 L N -0.658 120.400 121.223 -0.276 0.000 2.046 381 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 381 L C 2.680 179.618 176.870 0.113 0.000 1.077 381 L CA 1.134 55.950 54.840 -0.040 0.000 0.747 381 L CB -1.000 41.139 42.059 0.134 0.000 0.896 381 L HN 0.382 nan 8.230 nan 0.000 0.432 382 A N 0.269 123.179 122.820 0.149 0.000 1.969 382 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 382 A C 2.382 180.049 177.584 0.139 0.000 1.169 382 A CA 1.624 53.813 52.037 0.254 0.000 0.635 382 A CB -1.009 18.139 19.000 0.245 0.000 0.810 382 A HN 0.441 nan 8.150 nan 0.000 0.445 383 G N -0.334 108.501 108.800 0.059 0.000 2.394 383 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.214 383 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.214 383 G C 1.515 176.462 174.900 0.078 0.000 1.176 383 G CA 0.853 45.990 45.100 0.062 0.000 0.786 383 G HN 0.407 nan 8.290 nan 0.000 0.533 384 L N -0.099 121.144 121.223 0.033 0.000 2.156 384 L HA 0.174 4.514 4.340 -0.000 0.000 0.208 384 L C 1.885 178.805 176.870 0.083 0.000 1.095 384 L CA 0.421 55.312 54.840 0.083 0.000 0.770 384 L CB -0.111 41.973 42.059 0.042 0.000 0.914 384 L HN 0.135 nan 8.230 nan 0.000 0.439 385 L N -0.122 121.101 121.223 -0.000 0.000 2.783 385 L HA 0.118 4.458 4.340 -0.000 0.000 0.236 385 L C 0.312 177.356 176.870 0.290 0.000 1.225 385 L CA -0.272 54.500 54.840 -0.113 0.000 1.026 385 L CB -0.123 41.730 42.059 -0.344 0.000 1.314 385 L HN -0.037 nan 8.230 nan 0.000 0.489 386 K N 0.990 121.583 120.400 0.321 0.000 2.339 386 K HA 0.088 4.408 4.320 -0.000 0.000 0.286 386 K C 1.071 177.904 176.600 0.389 0.000 1.050 386 K CA 0.117 56.585 56.287 0.301 0.000 0.956 386 K CB 0.791 33.417 32.500 0.210 0.000 0.990 386 K HN 0.003 nan 8.250 nan 0.000 0.475 387 K N 1.445 122.027 120.400 0.302 0.000 2.097 387 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 387 K C 0.177 176.810 176.600 0.055 0.000 1.049 387 K CA 1.093 57.471 56.287 0.151 0.000 0.933 387 K CB -0.037 32.503 32.500 0.066 0.000 0.717 387 K HN 0.604 nan 8.250 nan 0.000 0.442 388 D N 1.117 121.568 120.400 0.084 0.000 2.325 388 D HA 0.027 4.667 4.640 -0.000 0.000 0.251 388 D C -1.599 174.758 176.300 0.095 0.000 1.196 388 D CA -2.419 51.617 54.000 0.059 0.000 0.866 388 D CB 1.346 42.180 40.800 0.057 0.000 1.101 388 D HN -0.079 nan 8.370 nan 0.000 0.476 389 P HA -0.146 nan 4.420 nan 0.000 0.220 389 P C 0.761 178.133 177.300 0.120 0.000 1.148 389 P CA 0.959 64.134 63.100 0.125 0.000 0.803 389 P CB 0.430 32.192 31.700 0.105 0.000 0.782 390 K N -0.331 120.120 120.400 0.086 0.000 2.296 390 K HA -0.038 4.282 4.320 -0.000 0.000 0.200 390 K C 2.096 178.740 176.600 0.074 0.000 1.048 390 K CA 0.902 57.233 56.287 0.073 0.000 0.966 390 K CB -0.020 32.511 32.500 0.052 0.000 0.754 390 K HN 0.281 nan 8.250 nan 0.000 0.466 391 Q N 0.079 119.929 119.800 0.084 0.000 2.356 391 Q HA 0.065 4.405 4.340 -0.000 0.000 0.205 391 Q C 0.355 176.417 176.000 0.104 0.000 0.901 391 Q CA -0.171 55.683 55.803 0.084 0.000 0.938 391 Q CB 0.624 29.412 28.738 0.083 0.000 1.081 391 Q HN 0.112 nan 8.270 nan 0.000 0.517 392 R N 1.176 121.755 120.500 0.131 0.000 2.594 392 R HA 0.110 4.450 4.340 -0.000 0.000 0.272 392 R C -0.582 175.782 176.300 0.108 0.000 1.074 392 R CA -0.338 55.858 56.100 0.160 0.000 1.105 392 R CB 0.387 30.830 30.300 0.238 0.000 1.008 392 R HN 0.014 nan 8.270 nan 0.000 0.472 393 L N 4.417 125.691 121.223 0.085 0.000 2.456 393 L HA 0.192 4.532 4.340 -0.000 0.000 0.277 393 L C 0.927 177.722 176.870 -0.125 0.000 1.124 393 L CA 1.831 56.670 54.840 -0.001 0.000 0.880 393 L CB 0.824 42.883 42.059 -0.001 0.000 1.192 393 L HN 0.972 nan 8.230 nan 0.000 0.463 394 G N 2.838 111.494 108.800 -0.241 0.000 2.195 394 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.224 394 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.224 394 G C 0.815 175.667 174.900 -0.080 0.000 0.990 394 G CA 0.138 44.905 45.100 -0.556 0.000 0.639 394 G HN 1.111 nan 8.290 nan 0.000 0.514 395 G N 0.456 109.300 108.800 0.073 0.000 2.880 395 G HA2 0.492 4.452 3.960 -0.000 0.000 0.209 395 G HA3 0.492 4.452 3.960 -0.000 0.000 0.209 395 G C 1.011 175.973 174.900 0.104 0.000 1.157 395 G CA 1.173 46.371 45.100 0.164 0.000 0.779 395 G HN 1.181 nan 8.290 nan 0.000 0.539 396 G N 0.232 109.063 108.800 0.053 0.000 2.588 396 G HA2 0.423 4.383 3.960 -0.000 0.000 0.281 396 G HA3 0.423 4.383 3.960 -0.000 0.000 0.281 396 G C -1.188 173.737 174.900 0.041 0.000 1.236 396 G CA -0.784 44.339 45.100 0.039 0.000 0.969 396 G HN -0.057 nan 8.290 nan 0.000 0.504 397 P HA -0.079 nan 4.420 nan 0.000 0.219 397 P C 1.975 179.292 177.300 0.028 0.000 1.146 397 P CA 1.719 64.838 63.100 0.030 0.000 0.808 397 P CB 0.214 31.926 31.700 0.020 0.000 0.779 398 S N -2.513 113.192 115.700 0.009 0.000 2.603 398 S HA 0.000 4.470 4.470 -0.000 0.000 0.220 398 S C 0.987 175.581 174.600 -0.011 0.000 0.967 398 S CA 0.514 58.710 58.200 -0.007 0.000 0.920 398 S CB -0.943 62.239 63.200 -0.029 0.000 0.773 398 S HN 0.078 nan 8.310 nan 0.000 0.529 399 D N 2.205 122.615 120.400 0.018 0.000 4.049 399 D HA -0.383 4.256 4.640 -0.000 0.000 0.154 399 D C 1.444 177.626 176.300 -0.196 0.000 0.764 399 D CA 2.415 56.458 54.000 0.071 0.000 1.058 399 D CB -1.506 39.461 40.800 0.278 0.000 0.472 399 D HN 0.556 nan 8.370 nan 0.000 0.449 400 A N -0.072 122.686 122.820 -0.103 0.000 2.024 400 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 400 A C 2.051 179.374 177.584 -0.435 0.000 1.164 400 A CA 2.588 54.387 52.037 -0.396 0.000 0.643 400 A CB -0.627 18.331 19.000 -0.069 0.000 0.806 400 A HN 0.477 nan 8.150 nan 0.000 0.451 401 K N -0.034 120.202 120.400 -0.273 0.000 2.103 401 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 401 K C 1.811 178.273 176.600 -0.230 0.000 1.048 401 K CA 1.754 57.894 56.287 -0.246 0.000 0.930 401 K CB -0.188 32.229 32.500 -0.139 0.000 0.716 401 K HN 0.667 nan 8.250 nan 0.000 0.444 402 E N -0.061 120.005 120.200 -0.222 0.000 2.110 402 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 402 E C 1.959 178.476 176.600 -0.139 0.000 0.988 402 E CA 1.413 57.720 56.400 -0.154 0.000 0.804 402 E CB 0.097 29.707 29.700 -0.151 0.000 0.745 402 E HN 0.138 nan 8.360 nan 0.000 0.458 403 V N 1.091 120.816 119.914 -0.315 0.000 2.379 403 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 403 V C 2.268 178.325 176.094 -0.062 0.000 1.044 403 V CA 1.436 63.608 62.300 -0.212 0.000 1.036 403 V CB -0.384 31.132 31.823 -0.512 0.000 0.664 403 V HN 0.288 nan 8.190 nan 0.000 0.453 404 M N -0.389 118.982 119.600 -0.382 0.000 2.159 404 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 404 M C 1.865 178.171 176.300 0.010 0.000 1.063 404 M CA 1.443 56.401 55.300 -0.570 0.000 1.110 404 M CB -0.349 31.535 32.600 -1.193 0.000 1.374 404 M HN 0.277 nan 8.290 nan 0.000 0.411 405 E N -0.726 119.485 120.200 0.017 0.000 2.489 405 E HA 0.024 4.374 4.350 -0.000 0.000 0.193 405 E C 0.325 177.032 176.600 0.178 0.000 1.057 405 E CA 0.177 56.643 56.400 0.110 0.000 0.866 405 E CB -0.430 29.284 29.700 0.023 0.000 0.916 405 E HN 0.416 nan 8.360 nan 0.000 0.500 406 H N 1.908 121.098 119.070 0.201 0.000 2.815 406 H HA 0.030 4.586 4.556 -0.000 0.000 0.350 406 H C 1.420 176.884 175.328 0.227 0.000 1.080 406 H CA 0.390 56.557 56.048 0.198 0.000 1.433 406 H CB 0.773 30.669 29.762 0.223 0.000 1.432 406 H HN 0.042 nan 8.280 nan 0.000 0.592 407 R N 3.450 123.785 120.500 -0.275 0.000 2.211 407 R HA -0.198 4.142 4.340 -0.000 0.000 0.240 407 R C 1.690 178.061 176.300 0.119 0.000 1.144 407 R CA 1.684 57.744 56.100 -0.068 0.000 0.992 407 R CB -0.593 29.607 30.300 -0.166 0.000 0.869 407 R HN 0.487 nan 8.270 nan 0.000 0.462 408 F N 1.187 121.255 119.950 0.197 0.000 2.216 408 F HA 0.012 4.539 4.527 -0.000 0.000 0.300 408 F C 0.956 176.654 175.800 -0.170 0.000 1.085 408 F CA 1.025 58.997 58.000 -0.046 0.000 1.326 408 F CB 0.063 38.923 39.000 -0.232 0.000 1.027 408 F HN -0.077 nan 8.300 nan 0.000 0.497 409 F N -0.650 119.448 119.950 0.246 0.000 2.668 409 F HA 0.139 4.666 4.527 -0.000 0.000 0.297 409 F C 1.516 177.364 175.800 0.080 0.000 1.124 409 F CA -0.452 57.635 58.000 0.146 0.000 1.353 409 F CB -0.038 39.244 39.000 0.471 0.000 0.992 409 F HN -0.054 nan 8.300 nan 0.000 0.524 410 L N 0.613 121.927 121.223 0.151 0.000 2.079 410 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 410 L C 2.525 179.411 176.870 0.027 0.000 1.081 410 L CA 2.104 56.998 54.840 0.089 0.000 0.752 410 L CB -0.561 41.514 42.059 0.026 0.000 0.896 410 L HN 0.213 nan 8.230 nan 0.000 0.433 411 S N -1.416 114.264 115.700 -0.035 0.000 2.561 411 S HA 0.099 4.569 4.470 -0.000 0.000 0.225 411 S C 0.809 175.345 174.600 -0.108 0.000 0.977 411 S CA -0.251 57.905 58.200 -0.073 0.000 0.926 411 S CB -0.571 62.565 63.200 -0.107 0.000 0.769 411 S HN 0.173 nan 8.310 nan 0.000 0.533 412 I N 3.674 124.160 120.570 -0.139 0.000 2.342 412 I HA 0.315 4.485 4.170 -0.000 0.000 0.291 412 I C 0.068 175.921 176.117 -0.441 0.000 1.010 412 I CA -0.457 60.618 61.300 -0.375 0.000 1.308 412 I CB 0.560 38.158 38.000 -0.671 0.000 1.400 412 I HN 0.259 nan 8.210 nan 0.000 0.488 413 N N 5.977 124.447 118.700 -0.383 0.000 2.457 413 N HA 0.081 4.821 4.740 -0.000 0.000 0.250 413 N C 0.436 175.751 175.510 -0.324 0.000 0.982 413 N CA -0.353 52.562 53.050 -0.225 0.000 0.941 413 N CB 0.747 39.172 38.487 -0.103 0.000 1.120 413 N HN 0.451 nan 8.380 nan 0.000 0.505 414 W N 1.844 123.142 121.300 -0.004 0.000 2.421 414 W HA -0.014 4.646 4.660 -0.000 0.000 0.270 414 W C 2.000 178.526 176.519 0.011 0.000 1.233 414 W CA 0.082 57.423 57.345 -0.008 0.000 1.226 414 W CB 0.280 29.731 29.460 -0.015 0.000 1.121 414 W HN 0.519 nan 8.180 nan 0.000 0.579 415 Q N -0.137 119.749 119.800 0.144 0.000 2.187 415 Q HA -0.109 4.231 4.340 -0.000 0.000 0.199 415 Q C 1.360 177.381 176.000 0.036 0.000 0.957 415 Q CA 1.158 57.016 55.803 0.090 0.000 0.857 415 Q CB -0.458 28.320 28.738 0.067 0.000 0.929 415 Q HN 0.299 nan 8.270 nan 0.000 0.453 416 D N 0.005 120.404 120.400 -0.002 0.000 2.178 416 D HA -0.083 4.557 4.640 -0.000 0.000 0.202 416 D C 1.995 178.291 176.300 -0.007 0.000 0.974 416 D CA 0.484 54.473 54.000 -0.018 0.000 0.841 416 D CB 0.148 40.921 40.800 -0.044 0.000 0.953 416 D HN -0.008 nan 8.370 nan 0.000 0.478 417 V N 0.378 120.275 119.914 -0.030 0.000 2.244 417 V HA -0.168 3.952 4.120 -0.000 0.000 0.244 417 V C 2.486 178.710 176.094 0.218 0.000 1.042 417 V CA 1.186 63.493 62.300 0.012 0.000 1.006 417 V CB -0.531 31.232 31.823 -0.099 0.000 0.641 417 V HN 0.082 nan 8.190 nan 0.000 0.446 418 V N -0.404 119.616 119.914 0.176 0.000 2.594 418 V HA -0.241 3.879 4.120 -0.000 0.000 0.253 418 V C 2.136 178.118 176.094 -0.186 0.000 1.069 418 V CA 1.959 64.263 62.300 0.007 0.000 1.082 418 V CB -0.298 31.539 31.823 0.023 0.000 0.680 418 V HN 0.663 nan 8.190 nan 0.000 0.469 419 Q N -0.739 119.011 119.800 -0.084 0.000 2.320 419 Q HA 0.134 4.474 4.340 -0.000 0.000 0.201 419 Q C 0.495 176.434 176.000 -0.101 0.000 0.910 419 Q CA -0.102 55.634 55.803 -0.112 0.000 0.946 419 Q CB 0.200 28.902 28.738 -0.060 0.000 1.062 419 Q HN 0.565 nan 8.270 nan 0.000 0.503 420 K N -0.056 120.303 120.400 -0.069 0.000 3.069 420 K HA -0.257 4.062 4.320 -0.000 0.000 0.267 420 K C 0.308 176.953 176.600 0.075 0.000 1.082 420 K CA 0.618 56.880 56.287 -0.041 0.000 0.782 420 K CB -0.761 31.586 32.500 -0.256 0.000 1.230 420 K HN 0.223 nan 8.250 nan 0.000 0.488 421 K N 0.238 120.679 120.400 0.068 0.000 2.296 421 K HA 0.058 4.378 4.320 -0.000 0.000 0.200 421 K C 0.779 177.439 176.600 0.100 0.000 1.048 421 K CA 0.490 56.815 56.287 0.063 0.000 0.966 421 K CB 0.123 32.636 32.500 0.023 0.000 0.754 421 K HN 0.220 nan 8.250 nan 0.000 0.466 422 L N 1.914 123.238 121.223 0.169 0.000 2.371 422 L HA 0.166 4.506 4.340 -0.000 0.000 0.272 422 L C -0.044 176.973 176.870 0.245 0.000 1.124 422 L CA -0.874 54.090 54.840 0.208 0.000 0.816 422 L CB 0.491 42.711 42.059 0.268 0.000 1.129 422 L HN 0.012 nan 8.230 nan 0.000 0.448 423 L N 5.624 126.887 121.223 0.066 0.000 2.361 423 L HA 0.347 4.687 4.340 -0.000 0.000 0.278 423 L C -2.189 174.455 176.870 -0.378 0.000 1.113 423 L CA -1.058 53.725 54.840 -0.095 0.000 0.849 423 L CB 0.307 42.296 42.059 -0.116 0.000 1.155 423 L HN 0.299 nan 8.230 nan 0.000 0.452 424 P HA 0.157 nan 4.420 nan 0.000 0.268 424 P C -2.066 174.779 177.300 -0.758 0.000 1.204 424 P CA -0.868 61.638 63.100 -0.990 0.000 0.768 424 P CB 0.151 31.464 31.700 -0.645 0.000 0.842 425 P HA -0.010 nan 4.420 nan 0.000 0.230 425 P C -0.293 176.854 177.300 -0.254 0.000 1.158 425 P CA 0.979 63.764 63.100 -0.525 0.000 0.769 425 P CB 0.191 31.522 31.700 -0.615 0.000 0.807 426 F N 0.109 119.801 119.950 -0.429 0.000 2.605 426 F HA 0.491 5.018 4.527 -0.000 0.000 0.320 426 F C -1.184 174.443 175.800 -0.288 0.000 1.159 426 F CA -1.342 56.470 58.000 -0.313 0.000 0.999 426 F CB 1.859 40.667 39.000 -0.320 0.000 1.258 426 F HN -0.439 nan 8.300 nan 0.000 0.464 427 K N 7.422 127.259 120.400 -0.939 0.000 2.307 427 K HA 0.557 4.877 4.320 -0.000 0.000 0.263 427 K C -2.816 173.147 176.600 -1.062 0.000 0.973 427 K CA -2.074 53.764 56.287 -0.747 0.000 0.846 427 K CB 1.765 34.014 32.500 -0.419 0.000 1.100 427 K HN 0.286 nan 8.250 nan 0.000 0.438 428 P HA -0.035 nan 4.420 nan 0.000 0.263 428 P C -0.743 176.502 177.300 -0.091 0.000 1.195 428 P CA 0.057 62.891 63.100 -0.444 0.000 0.762 428 P CB 0.571 32.162 31.700 -0.182 0.000 0.799 429 Q N 2.255 122.157 119.800 0.169 0.000 2.642 429 Q HA 0.111 4.451 4.340 -0.000 0.000 0.319 429 Q C 0.042 176.118 176.000 0.127 0.000 1.030 429 Q CA -0.184 55.692 55.803 0.121 0.000 0.943 429 Q CB -0.468 28.347 28.738 0.129 0.000 1.323 429 Q HN 0.307 nan 8.270 nan 0.000 0.419 430 V N -1.302 118.694 119.914 0.135 0.000 2.555 430 V HA 0.232 4.352 4.120 -0.000 0.000 0.286 430 V C 1.349 177.459 176.094 0.027 0.000 1.044 430 V CA -0.087 62.259 62.300 0.077 0.000 1.026 430 V CB 0.890 32.779 31.823 0.109 0.000 0.981 430 V HN 0.366 nan 8.190 nan 0.000 0.480 431 T N 0.389 114.947 114.554 0.008 0.000 3.065 431 T HA 0.261 4.611 4.350 -0.000 0.000 0.252 431 T C 0.714 175.408 174.700 -0.011 0.000 1.099 431 T CA 0.522 62.621 62.100 -0.002 0.000 1.063 431 T CB -0.250 68.616 68.868 -0.004 0.000 0.948 431 T HN 1.270 nan 8.240 nan 0.000 0.506 432 S N -0.580 115.109 115.700 -0.019 0.000 2.656 432 S HA 0.485 4.955 4.470 -0.000 0.000 0.273 432 S C -0.099 174.447 174.600 -0.089 0.000 1.168 432 S CA -0.909 57.258 58.200 -0.054 0.000 0.817 432 S CB 1.563 64.729 63.200 -0.057 0.000 1.146 432 S HN -0.077 nan 8.310 nan 0.000 0.475 433 E N 0.085 120.148 120.200 -0.228 0.000 2.482 433 E HA 0.063 4.413 4.350 -0.000 0.000 0.196 433 E C 1.190 177.521 176.600 -0.448 0.000 1.047 433 E CA 0.414 56.598 56.400 -0.361 0.000 0.869 433 E CB 0.412 29.702 29.700 -0.683 0.000 0.836 433 E HN 0.455 nan 8.360 nan 0.000 0.520 434 V N 0.967 120.681 119.914 -0.334 0.000 3.578 434 V HA 0.004 4.124 4.120 -0.000 0.000 0.290 434 V C 0.032 176.109 176.094 -0.029 0.000 1.376 434 V CA -0.013 62.180 62.300 -0.179 0.000 1.083 434 V CB 0.324 32.096 31.823 -0.087 0.000 0.911 434 V HN -0.050 nan 8.190 nan 0.000 0.433 435 D N 1.337 121.743 120.400 0.009 0.000 2.346 435 D HA 0.069 4.709 4.640 -0.000 0.000 0.260 435 D C 0.937 177.314 176.300 0.128 0.000 1.252 435 D CA 0.518 54.542 54.000 0.040 0.000 0.895 435 D CB 1.295 42.105 40.800 0.016 0.000 1.097 435 D HN 0.459 nan 8.370 nan 0.000 0.489 436 T N 0.745 115.368 114.554 0.115 0.000 3.269 436 T HA 0.117 4.466 4.350 -0.000 0.000 0.269 436 T C 1.428 176.217 174.700 0.148 0.000 0.993 436 T CA -0.654 61.590 62.100 0.241 0.000 0.909 436 T CB -0.210 68.740 68.868 0.136 0.000 1.115 436 T HN 0.482 nan 8.240 nan 0.000 0.543 437 R N 0.033 120.485 120.500 -0.080 0.000 2.241 437 R HA -0.045 4.295 4.340 -0.000 0.000 0.224 437 R C 0.579 176.561 176.300 -0.530 0.000 1.101 437 R CA 0.990 56.918 56.100 -0.286 0.000 0.995 437 R CB -0.828 29.215 30.300 -0.429 0.000 0.870 437 R HN 0.529 nan 8.270 nan 0.000 0.463 438 Y N -0.228 119.891 120.300 -0.302 0.000 2.524 438 Y HA 0.313 4.863 4.550 -0.000 0.000 0.266 438 Y C -0.260 174.713 175.900 -1.544 0.000 1.180 438 Y CA -0.917 56.566 58.100 -1.027 0.000 1.244 438 Y CB 0.400 38.536 38.460 -0.539 0.000 1.125 438 Y HN -0.106 nan 8.280 nan 0.000 0.524 439 F N 0.239 119.846 119.950 -0.573 0.000 2.508 439 F HA 0.278 4.805 4.527 -0.000 0.000 0.325 439 F C 0.192 175.991 175.800 -0.002 0.000 1.090 439 F CA -1.640 56.240 58.000 -0.199 0.000 0.945 439 F CB 0.901 39.926 39.000 0.041 0.000 1.156 439 F HN -0.101 nan 8.300 nan 0.000 0.463 440 D N 2.387 123.072 120.400 0.476 0.000 2.455 440 D HA -0.045 4.595 4.640 -0.000 0.000 0.241 440 D C 0.523 176.991 176.300 0.280 0.000 1.138 440 D CA 0.435 54.708 54.000 0.455 0.000 0.877 440 D CB 1.010 42.065 40.800 0.425 0.000 1.187 440 D HN 0.551 nan 8.370 nan 0.000 0.451 441 D N 1.451 121.950 120.400 0.165 0.000 2.263 441 D HA -0.161 4.479 4.640 -0.000 0.000 0.208 441 D C 1.574 177.863 176.300 -0.018 0.000 0.971 441 D CA 0.703 54.751 54.000 0.080 0.000 0.867 441 D CB 0.144 40.979 40.800 0.058 0.000 0.929 441 D HN 0.605 nan 8.370 nan 0.000 0.492 442 E N -0.626 119.475 120.200 -0.165 0.000 2.153 442 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 442 E C 1.419 177.749 176.600 -0.450 0.000 0.988 442 E CA 0.832 56.996 56.400 -0.394 0.000 0.811 442 E CB 0.072 29.364 29.700 -0.679 0.000 0.746 442 E HN 0.312 nan 8.360 nan 0.000 0.466 443 F N -0.520 119.497 119.950 0.112 0.000 2.343 443 F HA -0.009 4.518 4.527 -0.000 0.000 0.286 443 F C 2.802 178.645 175.800 0.073 0.000 1.057 443 F CA 0.899 58.958 58.000 0.099 0.000 1.365 443 F CB -0.485 38.594 39.000 0.132 0.000 1.114 443 F HN 0.013 nan 8.300 nan 0.000 0.545 444 T N -1.419 113.281 114.554 0.244 0.000 2.962 444 T HA -0.035 4.315 4.350 -0.000 0.000 0.270 444 T C 1.816 176.571 174.700 0.092 0.000 1.088 444 T CA 0.954 63.140 62.100 0.144 0.000 1.127 444 T CB -0.445 68.502 68.868 0.132 0.000 0.883 444 T HN 0.203 nan 8.240 nan 0.000 0.493 445 A N 0.615 123.480 122.820 0.075 0.000 2.178 445 A HA 0.240 4.560 4.320 -0.000 0.000 0.211 445 A C 1.290 178.902 177.584 0.046 0.000 1.157 445 A CA -0.214 51.852 52.037 0.048 0.000 0.780 445 A CB -0.292 18.725 19.000 0.028 0.000 0.828 445 A HN 0.632 nan 8.150 nan 0.000 0.476 446 Q N 1.291 121.129 119.800 0.062 0.000 2.352 446 Q HA 0.317 4.657 4.340 -0.000 0.000 0.260 446 Q C 0.022 176.058 176.000 0.060 0.000 0.976 446 Q CA -0.065 55.775 55.803 0.062 0.000 0.881 446 Q CB 0.804 29.596 28.738 0.089 0.000 1.235 446 Q HN 0.540 nan 8.270 nan 0.000 0.419 447 S N 1.923 117.651 115.700 0.048 0.000 2.545 447 S HA 0.490 4.960 4.470 -0.000 0.000 0.275 447 S C 0.063 174.690 174.600 0.044 0.000 1.299 447 S CA -0.851 57.375 58.200 0.044 0.000 1.048 447 S CB 0.248 63.468 63.200 0.033 0.000 0.938 447 S HN 0.558 nan 8.310 nan 0.000 0.496 448 I N -0.301 120.296 120.570 0.045 0.000 2.460 448 I HA 0.640 4.810 4.170 -0.000 0.000 0.277 448 I C 0.434 176.562 176.117 0.017 0.000 1.057 448 I CA -0.774 60.547 61.300 0.036 0.000 1.179 448 I CB 0.252 38.286 38.000 0.056 0.000 1.329 448 I HN 0.720 nan 8.210 nan 0.000 0.478 468 E N -0.702 119.521 120.200 0.038 0.000 5.171 468 E HA -0.462 3.888 4.350 -0.000 0.000 0.184 468 E C 1.512 178.080 176.600 -0.053 0.000 1.101 468 E CA 3.173 59.574 56.400 0.000 0.000 2.026 468 E CB -2.551 27.142 29.700 -0.010 0.000 1.810 468 E HN 1.365 nan 8.360 nan 0.000 0.414 469 M N -1.647 117.878 119.600 -0.126 0.000 2.193 469 M HA 0.382 4.862 4.480 -0.000 0.000 0.265 469 M C 0.520 176.540 176.300 -0.466 0.000 1.071 469 M CA 1.858 56.946 55.300 -0.354 0.000 1.140 469 M CB 0.571 32.858 32.600 -0.522 0.000 1.369 469 M HN 0.393 nan 8.290 nan 0.000 0.423 470 F N 0.744 120.696 119.950 0.003 0.000 2.848 470 F HA 0.331 4.858 4.527 -0.000 0.000 0.321 470 F C 1.541 177.394 175.800 0.088 0.000 1.281 470 F CA 0.158 58.173 58.000 0.025 0.000 1.209 470 F CB -0.942 37.992 39.000 -0.109 0.000 1.152 470 F HN 0.191 nan 8.300 nan 0.000 0.521 471 E N -0.390 119.917 120.200 0.177 0.000 2.107 471 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 471 E C 1.506 178.206 176.600 0.167 0.000 0.982 471 E CA 1.428 57.916 56.400 0.146 0.000 0.809 471 E CB -0.216 29.532 29.700 0.079 0.000 0.756 471 E HN 0.316 nan 8.360 nan 0.000 0.459 472 D N -1.951 118.554 120.400 0.176 0.000 2.370 472 D HA 0.141 4.781 4.640 -0.000 0.000 0.230 472 D C 0.662 177.072 176.300 0.183 0.000 1.143 472 D CA -0.349 53.740 54.000 0.149 0.000 0.834 472 D CB -0.214 40.648 40.800 0.103 0.000 0.944 472 D HN 0.369 nan 8.370 nan 0.000 0.504 473 F N 0.975 120.991 119.950 0.111 0.000 2.188 473 F HA 0.010 4.537 4.527 -0.000 0.000 0.289 473 F C 0.634 176.478 175.800 0.074 0.000 1.082 473 F CA 0.276 58.325 58.000 0.082 0.000 1.282 473 F CB 0.175 39.213 39.000 0.062 0.000 1.060 473 F HN -0.221 nan 8.300 nan 0.000 0.493 474 D N 0.238 120.793 120.400 0.260 0.000 2.472 474 D HA 0.041 4.681 4.640 -0.000 0.000 0.237 474 D C -1.136 175.293 176.300 0.214 0.000 1.141 474 D CA 1.059 55.188 54.000 0.216 0.000 0.875 474 D CB 0.401 41.329 40.800 0.212 0.000 1.192 474 D HN 0.239 nan 8.370 nan 0.000 0.450 475 Y N 0.652 120.979 120.300 0.045 0.000 2.565 475 Y HA 0.436 4.986 4.550 -0.000 0.000 0.330 475 Y C -1.814 174.141 175.900 0.092 0.000 1.150 475 Y CA -0.848 57.274 58.100 0.037 0.000 1.055 475 Y CB 1.072 39.525 38.460 -0.011 0.000 1.337 475 Y HN 0.314 nan 8.280 nan 0.000 0.457 476 I N 4.790 125.049 120.570 -0.519 0.000 2.478 476 I HA 0.675 4.845 4.170 -0.000 0.000 0.287 476 I C -0.286 175.253 176.117 -0.962 0.000 1.042 476 I CA -1.019 60.021 61.300 -0.433 0.000 1.067 476 I CB 1.869 39.776 38.000 -0.154 0.000 1.233 476 I HN 0.837 nan 8.210 nan 0.000 0.431 477 A N 4.534 126.786 122.820 -0.946 0.000 2.386 477 A HA 0.179 4.499 4.320 -0.000 0.000 0.248 477 A C 1.015 178.295 177.584 -0.507 0.000 1.082 477 A CA -0.238 51.288 52.037 -0.853 0.000 0.789 477 A CB 0.196 18.540 19.000 -1.093 0.000 1.025 477 A HN 0.864 nan 8.150 nan 0.000 0.490 478 D N 0.446 120.704 120.400 -0.238 0.000 2.323 478 D HA -0.047 4.593 4.640 -0.000 0.000 0.209 478 D C 0.517 176.836 176.300 0.032 0.000 0.973 478 D CA 0.206 54.176 54.000 -0.051 0.000 0.874 478 D CB -0.136 40.709 40.800 0.076 0.000 0.930 478 D HN 0.726 nan 8.370 nan 0.000 0.521 479 W N 0.000 121.282 121.300 -0.029 0.000 2.388 479 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 479 W CA 0.000 57.337 57.345 -0.013 0.000 1.226 479 W CB 0.000 29.461 29.460 0.001 0.000 1.126 479 W HN 0.000 nan 8.180 nan 0.000 0.535