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 2e9t_1_D DATA FIRST_RESID 1 DATA SEQUENCE GLIVDTRDVE ERVHVMRKTK LAPTVAHGVF NPEFGPAALS NKDPRLNEGV DATA SEQUENCE VLDEVIFSKH KGDTKMSAED KALFRRCAAD YASRLHSVLG TANAPLSIYE DATA SEQUENCE AIKGVDGLDA MEPDTAPGLP WALQGKRRGA LIDFENGTVG PEVEAALKLM DATA SEQUENCE EKREYKFACQ TFLKDEIRPM EKVRAGKTRI VDVLPVEHIL YTRMMIGRFC DATA SEQUENCE AQMHSNNGPQ IGSAVGCNPD VDWQRFGTHF AQYRNVWDVD YSAFDANHCS DATA SEQUENCE DAMNIMFEEV FRTEFGFHPN AEWILKTLVN TEHAYENKRI TVEGGMPSGC DATA SEQUENCE SATSIINTIL NNIYVLYALR RHYEGVELDT YTMISYGDDI VVASDYDLDF DATA SEQUENCE EALKPHFKSL GQTITPADKS DKGFVLGHSI TDVTFLKRHF HMDYGTGFYK DATA SEQUENCE PVMASKTLEA ILSFARRGTI QEKLISVAGL AVHSGPDEYR RLFEPFQGLF DATA SEQUENCE EIPSYRSLYL RWVNAVCGDA AALE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.940 174.900 0.067 0.000 0.946 1 G CA 0.000 45.186 45.100 0.143 0.000 0.502 2 L N 0.674 121.881 121.223 -0.025 0.000 2.305 2 L HA 0.730 5.070 4.340 -0.000 0.000 0.284 2 L C -0.456 176.352 176.870 -0.104 0.000 1.013 2 L CA -0.800 54.017 54.840 -0.039 0.000 0.819 2 L CB 1.180 43.220 42.059 -0.031 0.000 1.227 2 L HN 0.420 nan 8.230 nan 0.000 0.417 3 I N 6.300 126.810 120.570 -0.099 0.000 2.347 3 I HA 0.084 4.254 4.170 -0.000 0.000 0.294 3 I C 1.159 177.220 176.117 -0.094 0.000 1.090 3 I CA -0.197 61.020 61.300 -0.138 0.000 1.314 3 I CB 0.996 38.914 38.000 -0.138 0.000 1.423 3 I HN 0.664 nan 8.210 nan 0.000 0.503 4 V N 0.900 120.759 119.914 -0.093 0.000 3.354 4 V HA 0.253 4.373 4.120 -0.000 0.000 0.258 4 V C 0.262 176.315 176.094 -0.069 0.000 1.159 4 V CA 0.668 62.926 62.300 -0.069 0.000 1.125 4 V CB -0.105 31.681 31.823 -0.060 0.000 0.774 4 V HN 0.701 nan 8.190 nan 0.000 0.464 5 D N -0.668 119.681 120.400 -0.085 0.000 2.977 5 D HA 0.554 5.194 4.640 -0.000 0.000 0.220 5 D C -1.171 175.069 176.300 -0.101 0.000 1.267 5 D CA 0.063 54.015 54.000 -0.080 0.000 0.884 5 D CB 2.282 43.039 40.800 -0.072 0.000 1.667 5 D HN 0.186 nan 8.370 nan 0.000 0.536 6 T N 2.970 117.469 114.554 -0.092 0.000 2.881 6 T HA 0.713 5.063 4.350 -0.000 0.000 0.291 6 T C -0.665 173.991 174.700 -0.073 0.000 0.990 6 T CA -0.883 61.154 62.100 -0.105 0.000 0.976 6 T CB 1.000 69.795 68.868 -0.122 0.000 0.970 6 T HN 0.494 nan 8.240 nan 0.000 0.438 7 R N 0.944 121.405 120.500 -0.066 0.000 2.740 7 R HA 0.699 5.039 4.340 -0.000 0.000 0.273 7 R C -1.868 174.408 176.300 -0.040 0.000 0.998 7 R CA -1.041 55.030 56.100 -0.048 0.000 0.900 7 R CB 1.373 31.645 30.300 -0.047 0.000 1.223 7 R HN 0.218 nan 8.270 nan 0.000 0.466 8 D N 1.772 122.152 120.400 -0.032 0.000 2.313 8 D HA 0.269 4.909 4.640 -0.000 0.000 0.239 8 D C -1.009 175.274 176.300 -0.029 0.000 1.142 8 D CA -0.161 53.822 54.000 -0.027 0.000 0.847 8 D CB 2.115 42.902 40.800 -0.022 0.000 1.082 8 D HN 0.234 nan 8.370 nan 0.000 0.480 9 V N 3.192 123.088 119.914 -0.030 0.000 2.581 9 V HA 0.097 4.217 4.120 -0.000 0.000 0.303 9 V C 1.212 177.289 176.094 -0.029 0.000 1.041 9 V CA -0.383 61.899 62.300 -0.030 0.000 0.907 9 V CB 1.975 33.778 31.823 -0.034 0.000 0.994 9 V HN 0.505 nan 8.190 nan 0.000 0.442 10 E N 2.378 122.562 120.200 -0.026 0.000 2.097 10 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 10 E C 0.728 177.313 176.600 -0.025 0.000 1.000 10 E CA 1.158 57.544 56.400 -0.023 0.000 0.804 10 E CB 0.092 29.781 29.700 -0.018 0.000 0.740 10 E HN 0.742 nan 8.360 nan 0.000 0.454 11 E N 1.916 122.101 120.200 -0.025 0.000 2.168 11 E HA -0.044 4.306 4.350 -0.000 0.000 0.254 11 E C -0.575 176.007 176.600 -0.030 0.000 1.228 11 E CA -0.241 56.145 56.400 -0.023 0.000 0.956 11 E CB 0.153 29.840 29.700 -0.023 0.000 1.031 11 E HN -0.059 nan 8.360 nan 0.000 0.441 12 R N 2.760 123.242 120.500 -0.030 0.000 2.446 12 R HA 0.023 4.363 4.340 -0.000 0.000 0.314 12 R C -0.792 175.480 176.300 -0.047 0.000 1.003 12 R CA 0.011 56.078 56.100 -0.054 0.000 1.018 12 R CB 0.484 30.754 30.300 -0.050 0.000 0.945 12 R HN 0.258 nan 8.270 nan 0.000 0.419 13 V N 5.677 125.539 119.914 -0.087 0.000 2.387 13 V HA 0.016 4.136 4.120 -0.000 0.000 0.260 13 V C 0.139 176.153 176.094 -0.133 0.000 1.054 13 V CA -0.140 62.107 62.300 -0.087 0.000 0.967 13 V CB 0.245 32.013 31.823 -0.092 0.000 1.036 13 V HN 0.706 nan 8.190 nan 0.000 0.481 14 H N 4.161 123.155 119.070 -0.127 0.000 2.742 14 H HA 0.405 4.961 4.556 -0.000 0.000 0.302 14 H C 0.570 175.817 175.328 -0.136 0.000 1.069 14 H CA 0.208 56.188 56.048 -0.113 0.000 1.446 14 H CB 1.185 30.915 29.762 -0.054 0.000 1.462 14 H HN 0.503 nan 8.280 nan 0.000 0.499 15 V N 1.190 121.048 119.914 -0.094 0.000 3.658 15 V HA 0.171 4.291 4.120 -0.000 0.000 0.197 15 V C 0.779 176.918 176.094 0.075 0.000 1.295 15 V CA -0.589 61.690 62.300 -0.035 0.000 1.298 15 V CB -0.261 31.465 31.823 -0.163 0.000 1.347 15 V HN 0.579 nan 8.190 nan 0.000 0.548 16 M N 2.177 121.775 119.600 -0.003 0.000 2.207 16 M HA 0.082 4.562 4.480 -0.000 0.000 0.392 16 M C 0.279 176.626 176.300 0.078 0.000 1.286 16 M CA 1.307 56.629 55.300 0.036 0.000 0.828 16 M CB -0.552 32.036 32.600 -0.020 0.000 1.903 16 M HN 0.518 nan 8.290 nan 0.000 0.499 17 R N 1.579 122.130 120.500 0.085 0.000 3.315 17 R HA 0.626 4.966 4.340 -0.000 0.000 0.239 17 R C -0.922 175.412 176.300 0.057 0.000 1.532 17 R CA -1.141 55.008 56.100 0.082 0.000 1.033 17 R CB 0.910 31.266 30.300 0.093 0.000 1.586 17 R HN 0.483 nan 8.270 nan 0.000 0.512 18 K N 0.541 120.972 120.400 0.051 0.000 2.087 18 K HA 0.210 4.530 4.320 -0.000 0.000 0.255 18 K C -0.290 176.333 176.600 0.037 0.000 0.988 18 K CA -0.271 56.039 56.287 0.038 0.000 0.915 18 K CB 1.622 34.144 32.500 0.035 0.000 1.043 18 K HN 0.431 nan 8.250 nan 0.000 0.457 19 T N 0.952 115.521 114.554 0.026 0.000 2.856 19 T HA 0.064 4.414 4.350 -0.000 0.000 0.306 19 T C 0.649 175.364 174.700 0.025 0.000 1.062 19 T CA 0.316 62.428 62.100 0.019 0.000 1.083 19 T CB 0.461 69.328 68.868 -0.002 0.000 0.984 19 T HN 0.585 nan 8.240 nan 0.000 0.542 20 K N 2.043 122.457 120.400 0.023 0.000 2.374 20 K HA 0.264 4.584 4.320 -0.000 0.000 0.196 20 K C -0.044 176.577 176.600 0.035 0.000 1.023 20 K CA 0.000 56.304 56.287 0.028 0.000 1.103 20 K CB 0.236 32.751 32.500 0.024 0.000 0.848 20 K HN 0.483 nan 8.250 nan 0.000 0.528 21 L N 1.776 123.018 121.223 0.032 0.000 2.278 21 L HA 0.289 4.629 4.340 -0.000 0.000 0.287 21 L C -0.028 176.908 176.870 0.109 0.000 1.072 21 L CA -0.648 54.230 54.840 0.063 0.000 0.819 21 L CB 1.143 43.205 42.059 0.006 0.000 1.176 21 L HN -0.015 nan 8.230 nan 0.000 0.435 22 A N 5.887 128.790 122.820 0.138 0.000 2.320 22 A HA 0.885 5.205 4.320 -0.000 0.000 0.334 22 A C -2.537 175.169 177.584 0.204 0.000 1.147 22 A CA -1.762 50.359 52.037 0.139 0.000 0.820 22 A CB 0.858 19.907 19.000 0.082 0.000 1.218 22 A HN 0.394 nan 8.150 nan 0.000 0.482 23 P HA 0.309 nan 4.420 nan 0.000 0.274 23 P C 0.269 177.546 177.300 -0.038 0.000 1.231 23 P CA -0.031 63.033 63.100 -0.059 0.000 0.790 23 P CB 0.837 32.367 31.700 -0.284 0.000 0.951 24 T N -2.347 112.169 114.554 -0.064 0.000 2.892 24 T HA 0.175 4.525 4.350 -0.000 0.000 0.280 24 T C 1.118 175.774 174.700 -0.073 0.000 1.004 24 T CA -0.425 61.679 62.100 0.007 0.000 0.950 24 T CB 0.194 69.138 68.868 0.125 0.000 1.309 24 T HN 0.107 nan 8.240 nan 0.000 0.592 25 V N 0.871 120.719 119.914 -0.111 0.000 2.490 25 V HA 0.012 4.132 4.120 -0.000 0.000 0.250 25 V C 2.778 178.641 176.094 -0.385 0.000 1.061 25 V CA 2.423 64.584 62.300 -0.231 0.000 1.064 25 V CB -1.463 30.213 31.823 -0.244 0.000 0.670 25 V HN 1.014 nan 8.190 nan 0.000 0.461 26 A N -1.077 121.432 122.820 -0.519 0.000 2.067 26 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 26 A C 2.153 179.455 177.584 -0.471 0.000 1.158 26 A CA 1.531 53.176 52.037 -0.653 0.000 0.661 26 A CB -0.927 17.800 19.000 -0.456 0.000 0.801 26 A HN 0.827 nan 8.150 nan 0.000 0.452 27 H N 0.267 119.122 119.070 -0.358 0.000 2.290 27 H HA -0.145 4.411 4.556 -0.000 0.000 0.298 27 H C 2.320 177.511 175.328 -0.229 0.000 1.087 27 H CA 2.087 57.948 56.048 -0.311 0.000 1.291 27 H CB -0.661 28.869 29.762 -0.386 0.000 1.369 27 H HN 0.382 nan 8.280 nan 0.000 0.492 28 G N 0.190 108.965 108.800 -0.043 0.000 2.469 28 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 28 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 28 G C 1.914 176.698 174.900 -0.193 0.000 1.136 28 G CA 1.373 46.431 45.100 -0.069 0.000 0.759 28 G HN 0.399 nan 8.290 nan 0.000 0.562 29 V N -0.274 119.430 119.914 -0.350 0.000 2.446 29 V HA 0.078 4.198 4.120 -0.000 0.000 0.244 29 V C 2.254 178.156 176.094 -0.319 0.000 1.039 29 V CA 1.064 63.108 62.300 -0.426 0.000 1.045 29 V CB -0.479 30.918 31.823 -0.710 0.000 0.681 29 V HN 0.269 nan 8.190 nan 0.000 0.459 30 F N 0.146 119.980 119.950 -0.193 0.000 2.619 30 F HA 0.242 4.769 4.527 -0.000 0.000 0.293 30 F C 1.153 176.837 175.800 -0.192 0.000 1.119 30 F CA -0.795 57.100 58.000 -0.175 0.000 1.445 30 F CB -1.519 37.381 39.000 -0.166 0.000 1.119 30 F HN 0.239 nan 8.300 nan 0.000 0.573 31 N N 0.971 119.568 118.700 -0.173 0.000 2.678 31 N HA -0.172 4.568 4.740 -0.000 0.000 0.268 31 N C -2.683 172.770 175.510 -0.096 0.000 1.010 31 N CA -0.143 52.758 53.050 -0.250 0.000 0.784 31 N CB -1.158 37.264 38.487 -0.108 0.000 0.905 31 N HN 0.172 nan 8.380 nan 0.000 0.552 32 P HA 0.059 nan 4.420 nan 0.000 0.274 32 P C -0.155 177.281 177.300 0.226 0.000 1.231 32 P CA 0.030 63.240 63.100 0.184 0.000 0.790 32 P CB 0.743 32.634 31.700 0.317 0.000 0.951 33 E N 1.831 122.144 120.200 0.189 0.000 2.705 33 E HA 0.202 4.552 4.350 -0.000 0.000 0.272 33 E C -0.536 175.895 176.600 -0.281 0.000 1.528 33 E CA 0.301 56.669 56.400 -0.052 0.000 1.750 33 E CB -0.937 28.655 29.700 -0.180 0.000 1.439 33 E HN 0.385 nan 8.360 nan 0.000 0.449 34 F N -0.804 119.229 119.950 0.139 0.000 2.645 34 F HA 0.677 5.204 4.527 -0.000 0.000 0.310 34 F C 0.674 176.587 175.800 0.188 0.000 1.102 34 F CA -0.899 57.181 58.000 0.133 0.000 0.952 34 F CB 2.395 41.489 39.000 0.156 0.000 1.326 34 F HN -0.028 nan 8.300 nan 0.000 0.456 35 G N 0.898 109.775 108.800 0.129 0.000 2.547 35 G HA2 0.588 4.548 3.960 -0.000 0.000 0.291 35 G HA3 0.588 4.548 3.960 -0.000 0.000 0.291 35 G C -3.469 171.259 174.900 -0.286 0.000 1.471 35 G CA -1.332 43.690 45.100 -0.130 0.000 0.798 35 G HN 0.235 nan 8.290 nan 0.000 0.504 36 P HA 0.419 nan 4.420 nan 0.000 0.271 36 P C 0.303 177.538 177.300 -0.109 0.000 1.218 36 P CA 0.099 63.056 63.100 -0.238 0.000 0.780 36 P CB 1.191 32.774 31.700 -0.195 0.000 0.901 37 A N 2.813 125.586 122.820 -0.080 0.000 2.483 37 A HA 0.421 4.741 4.320 -0.000 0.000 0.238 37 A C 0.680 178.245 177.584 -0.032 0.000 1.070 37 A CA -0.060 51.949 52.037 -0.047 0.000 0.770 37 A CB -0.485 18.492 19.000 -0.038 0.000 1.008 37 A HN 0.640 nan 8.150 nan 0.000 0.497 38 A N 1.428 124.233 122.820 -0.024 0.000 2.492 38 A HA 0.475 4.795 4.320 -0.000 0.000 0.254 38 A C 0.693 178.276 177.584 -0.002 0.000 1.091 38 A CA -0.158 51.873 52.037 -0.011 0.000 0.768 38 A CB -0.229 18.765 19.000 -0.010 0.000 1.028 38 A HN 0.884 nan 8.150 nan 0.000 0.498 39 L N 1.888 123.118 121.223 0.010 0.000 2.701 39 L HA 0.182 4.522 4.340 -0.000 0.000 0.238 39 L C 1.072 177.963 176.870 0.034 0.000 1.106 39 L CA 0.271 55.127 54.840 0.028 0.000 0.898 39 L CB 0.251 42.333 42.059 0.037 0.000 1.188 39 L HN 0.633 nan 8.230 nan 0.000 0.508 40 S N 0.654 116.368 115.700 0.024 0.000 2.472 40 S HA 0.223 4.693 4.470 -0.000 0.000 0.303 40 S C 1.035 175.648 174.600 0.021 0.000 1.099 40 S CA -0.786 57.427 58.200 0.022 0.000 1.077 40 S CB 0.926 64.137 63.200 0.017 0.000 1.031 40 S HN 0.303 nan 8.310 nan 0.000 0.487 41 N N 4.211 122.927 118.700 0.026 0.000 2.585 41 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 41 N C 0.846 176.366 175.510 0.017 0.000 1.102 41 N CA 0.520 53.586 53.050 0.026 0.000 0.920 41 N CB -0.143 38.367 38.487 0.037 0.000 0.963 41 N HN 0.777 nan 8.380 nan 0.000 0.447 42 K N -0.212 120.196 120.400 0.013 0.000 2.438 42 K HA 0.075 4.395 4.320 -0.000 0.000 0.206 42 K C -0.149 176.456 176.600 0.009 0.000 1.081 42 K CA -0.560 55.734 56.287 0.010 0.000 1.053 42 K CB 0.273 32.779 32.500 0.009 0.000 0.908 42 K HN -0.219 nan 8.250 nan 0.000 0.556 43 D N 3.713 124.118 120.400 0.010 0.000 2.923 43 D HA -0.069 4.571 4.640 -0.000 0.000 0.220 43 D C -1.507 174.798 176.300 0.007 0.000 1.099 43 D CA -0.445 53.560 54.000 0.008 0.000 0.807 43 D CB 1.237 42.041 40.800 0.006 0.000 1.155 43 D HN 0.098 nan 8.370 nan 0.000 0.524 44 P HA -0.054 nan 4.420 nan 0.000 0.222 44 P C 0.964 178.268 177.300 0.007 0.000 1.147 44 P CA 0.858 63.963 63.100 0.008 0.000 0.790 44 P CB 0.209 31.915 31.700 0.009 0.000 0.780 45 R N -1.147 119.358 120.500 0.008 0.000 2.276 45 R HA 0.125 4.465 4.340 -0.000 0.000 0.203 45 R C 0.685 176.985 176.300 0.001 0.000 1.017 45 R CA -0.002 56.102 56.100 0.007 0.000 1.010 45 R CB -0.447 29.859 30.300 0.010 0.000 0.900 45 R HN 0.256 nan 8.270 nan 0.000 0.469 46 L N 2.195 123.417 121.223 -0.000 0.000 2.426 46 L HA 0.029 4.369 4.340 -0.000 0.000 0.271 46 L C 0.392 177.260 176.870 -0.004 0.000 1.169 46 L CA -0.351 54.487 54.840 -0.004 0.000 0.836 46 L CB 0.254 42.312 42.059 -0.003 0.000 1.112 46 L HN 0.119 nan 8.230 nan 0.000 0.465 47 N N 1.660 120.356 118.700 -0.007 0.000 2.329 47 N HA -0.074 4.666 4.740 -0.000 0.000 0.237 47 N C -0.092 175.416 175.510 -0.004 0.000 1.258 47 N CA -0.036 53.010 53.050 -0.006 0.000 0.866 47 N CB 0.318 38.799 38.487 -0.010 0.000 1.102 47 N HN 0.428 nan 8.380 nan 0.000 0.440 48 E N 0.272 120.471 120.200 -0.003 0.000 2.406 48 E HA 0.238 4.588 4.350 -0.000 0.000 0.258 48 E C 0.535 177.134 176.600 -0.001 0.000 1.043 48 E CA 0.690 57.090 56.400 -0.001 0.000 0.929 48 E CB -0.531 29.169 29.700 -0.001 0.000 0.969 48 E HN 0.689 nan 8.360 nan 0.000 0.462 49 G N 2.889 111.689 108.800 0.001 0.000 2.255 49 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.239 49 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.239 49 G C -0.395 174.506 174.900 0.001 0.000 1.083 49 G CA -0.029 45.072 45.100 0.002 0.000 0.826 49 G HN 0.448 nan 8.290 nan 0.000 0.493 50 V N 0.028 119.943 119.914 0.001 0.000 2.555 50 V HA 0.685 4.805 4.120 -0.000 0.000 0.302 50 V C 0.406 176.503 176.094 0.006 0.000 1.038 50 V CA -0.867 61.433 62.300 0.000 0.000 0.887 50 V CB 2.124 33.944 31.823 -0.005 0.000 0.991 50 V HN 0.402 nan 8.190 nan 0.000 0.434 51 V N 5.727 125.647 119.914 0.009 0.000 2.357 51 V HA 0.277 4.397 4.120 -0.000 0.000 0.284 51 V C 0.745 176.850 176.094 0.018 0.000 1.018 51 V CA -0.236 62.076 62.300 0.020 0.000 0.841 51 V CB 1.305 33.145 31.823 0.030 0.000 0.991 51 V HN 0.776 nan 8.190 nan 0.000 0.437 52 L N 3.615 124.850 121.223 0.020 0.000 1.988 52 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 52 L C 2.109 178.977 176.870 -0.003 0.000 1.071 52 L CA 1.966 56.807 54.840 0.002 0.000 0.744 52 L CB -0.451 41.618 42.059 0.016 0.000 0.893 52 L HN 0.729 nan 8.230 nan 0.000 0.433 53 D N -0.646 119.797 120.400 0.072 0.000 2.254 53 D HA -0.256 4.384 4.640 -0.000 0.000 0.201 53 D C 1.841 178.236 176.300 0.159 0.000 0.998 53 D CA 1.423 55.511 54.000 0.146 0.000 0.885 53 D CB 0.216 41.161 40.800 0.241 0.000 0.915 53 D HN 0.488 nan 8.370 nan 0.000 0.460 54 E N 0.149 120.405 120.200 0.093 0.000 2.011 54 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 54 E C 2.334 178.963 176.600 0.049 0.000 0.979 54 E CA 0.467 56.922 56.400 0.091 0.000 0.822 54 E CB -0.126 29.604 29.700 0.049 0.000 0.782 54 E HN -0.066 nan 8.360 nan 0.000 0.459 55 V N 1.499 121.406 119.914 -0.011 0.000 2.317 55 V HA -0.322 3.798 4.120 -0.000 0.000 0.251 55 V C 2.378 178.392 176.094 -0.132 0.000 1.065 55 V CA 1.916 64.184 62.300 -0.053 0.000 1.049 55 V CB -0.669 31.122 31.823 -0.053 0.000 0.651 55 V HN 0.355 nan 8.190 nan 0.000 0.450 56 I N -0.848 119.583 120.570 -0.232 0.000 2.181 56 I HA -0.316 3.854 4.170 -0.000 0.000 0.247 56 I C 2.003 177.769 176.117 -0.585 0.000 1.081 56 I CA 2.155 63.166 61.300 -0.481 0.000 1.340 56 I CB -0.240 37.296 38.000 -0.774 0.000 1.036 56 I HN 0.291 nan 8.210 nan 0.000 0.417 57 F N -0.453 119.410 119.950 -0.144 0.000 2.695 57 F HA 0.031 4.558 4.527 -0.000 0.000 0.303 57 F C 2.384 178.122 175.800 -0.103 0.000 1.091 57 F CA 0.206 58.138 58.000 -0.113 0.000 1.300 57 F CB -0.113 38.862 39.000 -0.042 0.000 1.071 57 F HN 0.020 nan 8.300 nan 0.000 0.578 58 S N 0.708 116.420 115.700 0.020 0.000 2.500 58 S HA -0.216 4.254 4.470 -0.000 0.000 0.239 58 S C 1.871 176.441 174.600 -0.049 0.000 0.989 58 S CA 0.881 59.082 58.200 0.003 0.000 0.951 58 S CB -0.617 62.574 63.200 -0.015 0.000 0.759 58 S HN 0.610 nan 8.310 nan 0.000 0.523 59 K N 0.963 121.273 120.400 -0.151 0.000 2.211 59 K HA -0.091 4.229 4.320 -0.000 0.000 0.203 59 K C -0.020 176.471 176.600 -0.182 0.000 1.050 59 K CA 0.980 57.147 56.287 -0.199 0.000 0.945 59 K CB -0.700 31.632 32.500 -0.280 0.000 0.732 59 K HN 0.547 nan 8.250 nan 0.000 0.451 60 H N 1.698 120.775 119.070 0.012 0.000 3.216 60 H HA 0.154 4.710 4.556 -0.000 0.000 0.263 60 H C -0.213 175.112 175.328 -0.006 0.000 1.601 60 H CA -0.171 55.876 56.048 -0.000 0.000 1.509 60 H CB 0.525 30.285 29.762 -0.002 0.000 1.759 60 H HN 0.145 nan 8.280 nan 0.000 0.533 61 K N 2.050 122.498 120.400 0.080 0.000 2.437 61 K HA 0.238 4.558 4.320 -0.000 0.000 0.205 61 K C 0.239 176.858 176.600 0.031 0.000 1.026 61 K CA -0.024 56.288 56.287 0.042 0.000 1.153 61 K CB 0.954 33.464 32.500 0.017 0.000 0.863 61 K HN 0.801 nan 8.250 nan 0.000 0.502 62 G N 1.133 109.958 108.800 0.042 0.000 2.357 62 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.643 62 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.643 62 G C -2.126 172.781 174.900 0.012 0.000 1.358 62 G CA -1.003 44.108 45.100 0.017 0.000 0.986 62 G HN 0.109 nan 8.290 nan 0.000 0.620 63 D N 0.349 120.745 120.400 -0.006 0.000 2.454 63 D HA 0.556 5.196 4.640 -0.000 0.000 0.247 63 D C 0.685 176.967 176.300 -0.030 0.000 1.129 63 D CA -0.122 53.868 54.000 -0.017 0.000 0.877 63 D CB 0.766 41.555 40.800 -0.020 0.000 1.082 63 D HN 0.446 nan 8.370 nan 0.000 0.537 64 T N 4.485 119.015 114.554 -0.041 0.000 2.902 64 T HA 0.096 4.446 4.350 -0.000 0.000 0.301 64 T C 0.339 175.000 174.700 -0.064 0.000 1.012 64 T CA -0.089 61.981 62.100 -0.050 0.000 1.151 64 T CB 0.518 69.349 68.868 -0.062 0.000 0.946 64 T HN 0.109 nan 8.240 nan 0.000 0.542 65 K N 3.613 123.984 120.400 -0.049 0.000 2.156 65 K HA 0.497 4.817 4.320 -0.000 0.000 0.271 65 K C -0.094 176.476 176.600 -0.050 0.000 0.995 65 K CA -0.368 55.889 56.287 -0.051 0.000 0.890 65 K CB 1.585 34.065 32.500 -0.033 0.000 1.073 65 K HN 0.586 nan 8.250 nan 0.000 0.454 66 M N 0.932 120.495 119.600 -0.061 0.000 2.472 66 M HA 0.223 4.703 4.480 -0.000 0.000 0.331 66 M C 0.430 176.721 176.300 -0.015 0.000 1.170 66 M CA -0.693 54.579 55.300 -0.045 0.000 1.009 66 M CB 1.868 34.412 32.600 -0.093 0.000 1.672 66 M HN 0.627 nan 8.290 nan 0.000 0.453 67 S N 1.322 117.028 115.700 0.010 0.000 2.593 67 S HA 0.401 4.871 4.470 -0.000 0.000 0.269 67 S C 1.126 175.742 174.600 0.028 0.000 1.334 67 S CA -0.260 57.951 58.200 0.018 0.000 1.015 67 S CB 1.082 64.297 63.200 0.025 0.000 0.912 67 S HN 0.792 nan 8.310 nan 0.000 0.541 68 A N 1.167 124.002 122.820 0.026 0.000 1.917 68 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 68 A C 2.059 179.672 177.584 0.047 0.000 1.182 68 A CA 1.994 54.051 52.037 0.033 0.000 0.633 68 A CB -1.247 17.769 19.000 0.026 0.000 0.819 68 A HN 0.913 nan 8.150 nan 0.000 0.448 69 E N 0.226 120.451 120.200 0.042 0.000 2.058 69 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 69 E C 1.650 178.299 176.600 0.081 0.000 0.997 69 E CA 1.552 57.979 56.400 0.046 0.000 0.801 69 E CB -0.181 29.536 29.700 0.027 0.000 0.746 69 E HN 0.570 nan 8.360 nan 0.000 0.450 70 D N -0.088 120.374 120.400 0.103 0.000 2.144 70 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 70 D C 1.699 178.139 176.300 0.234 0.000 0.978 70 D CA 0.838 54.961 54.000 0.205 0.000 0.833 70 D CB -0.051 40.871 40.800 0.203 0.000 0.961 70 D HN 0.098 nan 8.370 nan 0.000 0.470 71 K N 0.765 121.240 120.400 0.125 0.000 2.009 71 K HA -0.099 4.221 4.320 -0.000 0.000 0.210 71 K C 2.155 178.861 176.600 0.175 0.000 1.049 71 K CA 1.305 57.659 56.287 0.112 0.000 0.929 71 K CB -0.111 32.421 32.500 0.054 0.000 0.714 71 K HN 0.002 nan 8.250 nan 0.000 0.440 72 A N 1.296 124.197 122.820 0.134 0.000 1.908 72 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 72 A C 2.120 179.792 177.584 0.147 0.000 1.181 72 A CA 1.435 53.545 52.037 0.121 0.000 0.627 72 A CB -0.592 18.455 19.000 0.079 0.000 0.818 72 A HN 0.302 nan 8.150 nan 0.000 0.445 73 L N -1.700 119.627 121.223 0.173 0.000 2.046 73 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 73 L C 2.200 179.240 176.870 0.283 0.000 1.077 73 L CA 2.293 57.239 54.840 0.175 0.000 0.747 73 L CB -0.681 41.444 42.059 0.110 0.000 0.896 73 L HN 0.393 nan 8.230 nan 0.000 0.432 74 F N 0.292 120.399 119.950 0.262 0.000 2.171 74 F HA -0.205 4.322 4.527 -0.000 0.000 0.300 74 F C 2.709 178.571 175.800 0.103 0.000 1.090 74 F CA 1.851 59.957 58.000 0.177 0.000 1.293 74 F CB -0.205 38.764 39.000 -0.052 0.000 1.013 74 F HN 0.076 nan 8.300 nan 0.000 0.486 75 R N 0.251 120.900 120.500 0.248 0.000 2.075 75 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 75 R C 2.478 178.817 176.300 0.066 0.000 1.126 75 R CA 1.341 57.533 56.100 0.153 0.000 0.963 75 R CB -0.227 30.169 30.300 0.160 0.000 0.858 75 R HN 0.227 nan 8.270 nan 0.000 0.435 76 R N -0.366 120.176 120.500 0.069 0.000 2.091 76 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 76 R C 2.409 178.718 176.300 0.015 0.000 1.136 76 R CA 1.711 57.839 56.100 0.046 0.000 0.959 76 R CB -0.413 29.915 30.300 0.048 0.000 0.856 76 R HN 0.359 nan 8.270 nan 0.000 0.437 77 C N -0.263 119.023 119.300 -0.024 0.000 2.446 77 C HA -0.020 4.440 4.460 -0.000 0.000 0.277 77 C C 2.883 177.805 174.990 -0.112 0.000 1.275 77 C CA 0.691 59.667 59.018 -0.069 0.000 1.727 77 C CB -0.872 26.810 27.740 -0.097 0.000 2.010 77 C HN 0.575 nan 8.230 nan 0.000 0.486 78 A N 0.333 123.020 122.820 -0.221 0.000 1.969 78 A HA 0.177 4.497 4.320 -0.000 0.000 0.218 78 A C 2.299 179.887 177.584 0.006 0.000 1.169 78 A CA 1.779 53.728 52.037 -0.146 0.000 0.635 78 A CB -0.640 18.252 19.000 -0.180 0.000 0.810 78 A HN 0.553 nan 8.150 nan 0.000 0.445 79 A N -0.178 122.660 122.820 0.030 0.000 1.968 79 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 79 A C 1.714 179.336 177.584 0.063 0.000 1.169 79 A CA 1.632 53.717 52.037 0.081 0.000 0.638 79 A CB -0.356 18.703 19.000 0.097 0.000 0.812 79 A HN 0.411 nan 8.150 nan 0.000 0.446 80 D N -1.568 118.861 120.400 0.049 0.000 2.103 80 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 80 D C 1.678 178.001 176.300 0.038 0.000 0.978 80 D CA 1.374 55.401 54.000 0.045 0.000 0.829 80 D CB -0.449 40.381 40.800 0.050 0.000 0.981 80 D HN 0.545 nan 8.370 nan 0.000 0.464 81 Y N 1.744 121.999 120.300 -0.075 0.000 2.145 81 Y HA -0.143 4.407 4.550 -0.000 0.000 0.286 81 Y C 2.224 178.016 175.900 -0.179 0.000 1.145 81 Y CA 1.597 59.633 58.100 -0.105 0.000 1.148 81 Y CB -0.511 37.889 38.460 -0.101 0.000 0.981 81 Y HN -0.056 nan 8.280 nan 0.000 0.507 82 A N -0.774 121.873 122.820 -0.288 0.000 1.917 82 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 82 A C 2.537 179.805 177.584 -0.527 0.000 1.182 82 A CA 2.330 54.059 52.037 -0.513 0.000 0.633 82 A CB -1.501 17.342 19.000 -0.262 0.000 0.819 82 A HN 0.537 nan 8.150 nan 0.000 0.448 83 S N -0.743 114.815 115.700 -0.235 0.000 2.368 83 S HA -0.198 4.272 4.470 -0.000 0.000 0.224 83 S C 2.215 176.715 174.600 -0.167 0.000 1.029 83 S CA 1.673 59.807 58.200 -0.110 0.000 0.988 83 S CB -0.332 62.876 63.200 0.013 0.000 0.838 83 S HN 0.606 nan 8.310 nan 0.000 0.462 84 R N 0.635 121.002 120.500 -0.221 0.000 2.096 84 R HA 0.064 4.404 4.340 -0.000 0.000 0.235 84 R C 2.075 178.176 176.300 -0.333 0.000 1.127 84 R CA 1.538 57.503 56.100 -0.225 0.000 0.968 84 R CB -1.011 29.178 30.300 -0.186 0.000 0.861 84 R HN 0.472 nan 8.270 nan 0.000 0.440 85 L N -0.352 120.518 121.223 -0.588 0.000 2.044 85 L HA -0.017 4.323 4.340 -0.000 0.000 0.205 85 L C 1.665 178.271 176.870 -0.439 0.000 1.075 85 L CA 2.002 56.459 54.840 -0.638 0.000 0.747 85 L CB -0.497 40.959 42.059 -1.004 0.000 0.903 85 L HN 0.357 nan 8.230 nan 0.000 0.435 86 H N -2.373 116.529 119.070 -0.280 0.000 2.470 86 H HA 0.001 4.557 4.556 -0.000 0.000 0.289 86 H C 2.384 177.650 175.328 -0.103 0.000 1.033 86 H CA 0.885 56.815 56.048 -0.197 0.000 1.331 86 H CB 0.105 29.648 29.762 -0.365 0.000 1.414 86 H HN 0.298 nan 8.280 nan 0.000 0.545 87 S N -0.032 115.660 115.700 -0.013 0.000 2.383 87 S HA -0.145 4.325 4.470 -0.000 0.000 0.229 87 S C 2.135 176.725 174.600 -0.017 0.000 1.030 87 S CA 1.144 59.341 58.200 -0.004 0.000 1.002 87 S CB -0.205 62.982 63.200 -0.022 0.000 0.829 87 S HN 0.195 nan 8.310 nan 0.000 0.467 88 V N 1.280 121.163 119.914 -0.050 0.000 2.446 88 V HA 0.059 4.179 4.120 -0.000 0.000 0.244 88 V C 2.032 178.112 176.094 -0.023 0.000 1.039 88 V CA 1.139 63.412 62.300 -0.044 0.000 1.045 88 V CB -0.429 31.352 31.823 -0.070 0.000 0.681 88 V HN 0.441 nan 8.190 nan 0.000 0.459 89 L N -0.118 121.098 121.223 -0.011 0.000 2.418 89 L HA 0.368 4.708 4.340 -0.000 0.000 0.218 89 L C 1.296 178.188 176.870 0.038 0.000 1.125 89 L CA 0.825 55.674 54.840 0.016 0.000 0.835 89 L CB -0.864 41.229 42.059 0.057 0.000 0.953 89 L HN 0.553 nan 8.230 nan 0.000 0.454 90 G N 0.645 109.473 108.800 0.047 0.000 2.698 90 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.225 90 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.225 90 G C 0.225 175.153 174.900 0.047 0.000 1.345 90 G CA -0.143 44.981 45.100 0.040 0.000 0.871 90 G HN 0.181 nan 8.290 nan 0.000 0.540 91 T N -2.781 111.776 114.554 0.005 0.000 3.331 91 T HA 0.661 5.011 4.350 -0.000 0.000 0.282 91 T C 0.667 175.307 174.700 -0.100 0.000 1.010 91 T CA 1.159 63.226 62.100 -0.055 0.000 0.928 91 T CB 0.873 69.730 68.868 -0.019 0.000 1.154 91 T HN 2.097 nan 8.240 nan 0.000 0.516 92 A N 1.889 124.669 122.820 -0.067 0.000 2.990 92 A HA 0.434 4.754 4.320 -0.000 0.000 0.282 92 A C 0.782 178.302 177.584 -0.107 0.000 1.688 92 A CA -0.622 51.373 52.037 -0.070 0.000 1.391 92 A CB -0.489 18.493 19.000 -0.030 0.000 1.112 92 A HN 0.423 nan 8.150 nan 0.000 0.588 93 N N 1.027 119.592 118.700 -0.225 0.000 2.238 93 N HA 0.180 4.920 4.740 -0.000 0.000 0.235 93 N C 0.456 175.819 175.510 -0.245 0.000 1.209 93 N CA 0.305 53.136 53.050 -0.366 0.000 0.879 93 N CB 0.881 38.719 38.487 -1.082 0.000 1.136 93 N HN 0.660 nan 8.380 nan 0.000 0.517 94 A N 2.506 125.255 122.820 -0.119 0.000 2.586 94 A HA 0.143 4.463 4.320 -0.000 0.000 0.231 94 A C -1.873 175.716 177.584 0.008 0.000 1.055 94 A CA -0.300 51.717 52.037 -0.034 0.000 0.756 94 A CB -0.379 18.610 19.000 -0.019 0.000 0.988 94 A HN 0.044 nan 8.150 nan 0.000 0.509 95 P HA 0.171 nan 4.420 nan 0.000 0.268 95 P C -0.686 176.615 177.300 0.002 0.000 1.208 95 P CA -0.148 62.957 63.100 0.009 0.000 0.777 95 P CB 0.342 32.032 31.700 -0.017 0.000 0.875 96 L N 1.748 122.963 121.223 -0.013 0.000 2.357 96 L HA 0.238 4.578 4.340 -0.000 0.000 0.273 96 L C 1.031 177.902 176.870 0.002 0.000 1.080 96 L CA 0.081 54.924 54.840 0.006 0.000 0.803 96 L CB 0.644 42.706 42.059 0.005 0.000 1.174 96 L HN 0.462 nan 8.230 nan 0.000 0.443 97 S N 2.167 117.887 115.700 0.033 0.000 2.576 97 S HA 0.136 4.606 4.470 -0.000 0.000 0.272 97 S C 1.526 176.154 174.600 0.048 0.000 1.352 97 S CA -0.389 57.839 58.200 0.047 0.000 1.021 97 S CB 0.235 63.483 63.200 0.081 0.000 0.887 97 S HN 0.470 nan 8.310 nan 0.000 0.542 98 I N 0.635 121.231 120.570 0.044 0.000 2.145 98 I HA -0.224 3.946 4.170 -0.000 0.000 0.244 98 I C 2.260 178.399 176.117 0.036 0.000 1.075 98 I CA 2.085 63.399 61.300 0.024 0.000 1.332 98 I CB -0.583 37.426 38.000 0.016 0.000 1.033 98 I HN 0.821 nan 8.210 nan 0.000 0.410 99 Y N 1.527 121.807 120.300 -0.033 0.000 2.030 99 Y HA -0.355 4.195 4.550 -0.000 0.000 0.274 99 Y C 2.566 178.460 175.900 -0.011 0.000 1.153 99 Y CA 2.206 60.290 58.100 -0.026 0.000 1.115 99 Y CB -0.401 38.048 38.460 -0.018 0.000 0.969 99 Y HN 0.157 nan 8.280 nan 0.000 0.488 100 E N -0.276 120.015 120.200 0.151 0.000 2.049 100 E HA -0.314 4.036 4.350 -0.000 0.000 0.198 100 E C 2.323 178.913 176.600 -0.017 0.000 1.007 100 E CA 1.281 57.721 56.400 0.067 0.000 0.809 100 E CB -0.471 29.285 29.700 0.094 0.000 0.749 100 E HN 0.596 nan 8.360 nan 0.000 0.450 101 A N 0.637 123.450 122.820 -0.012 0.000 1.978 101 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 101 A C 2.107 179.674 177.584 -0.028 0.000 1.170 101 A CA 1.270 53.297 52.037 -0.017 0.000 0.636 101 A CB -0.502 18.485 19.000 -0.022 0.000 0.810 101 A HN 0.180 nan 8.150 nan 0.000 0.448 102 I N -1.049 119.471 120.570 -0.083 0.000 2.235 102 I HA -0.128 4.042 4.170 -0.000 0.000 0.241 102 I C 1.992 178.065 176.117 -0.074 0.000 1.085 102 I CA 1.006 62.253 61.300 -0.090 0.000 1.378 102 I CB -0.129 37.743 38.000 -0.215 0.000 1.076 102 I HN 0.091 nan 8.210 nan 0.000 0.415 103 K N 1.231 121.496 120.400 -0.225 0.000 2.418 103 K HA 0.214 4.534 4.320 -0.000 0.000 0.195 103 K C 0.878 177.427 176.600 -0.086 0.000 1.035 103 K CA 0.740 56.898 56.287 -0.214 0.000 1.003 103 K CB -0.252 31.959 32.500 -0.481 0.000 0.793 103 K HN 0.443 nan 8.250 nan 0.000 0.494 104 G N 0.902 109.672 108.800 -0.049 0.000 2.760 104 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.246 104 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.246 104 G C -0.434 174.477 174.900 0.019 0.000 1.359 104 G CA -0.380 44.723 45.100 0.005 0.000 0.861 104 G HN 0.312 nan 8.290 nan 0.000 0.541 105 V N -4.164 115.773 119.914 0.039 0.000 3.188 105 V HA 0.757 4.877 4.120 -0.000 0.000 0.305 105 V C 0.411 176.533 176.094 0.047 0.000 1.232 105 V CA -0.354 61.973 62.300 0.046 0.000 1.043 105 V CB 1.871 33.722 31.823 0.046 0.000 1.068 105 V HN 1.157 nan 8.190 nan 0.000 0.439 106 D N 1.459 121.885 120.400 0.043 0.000 4.599 106 D HA 0.125 4.765 4.640 -0.000 0.000 0.245 106 D C 1.267 177.596 176.300 0.049 0.000 1.474 106 D CA 2.562 56.587 54.000 0.041 0.000 0.960 106 D CB -0.160 40.660 40.800 0.033 0.000 1.280 106 D HN 1.663 nan 8.370 nan 0.000 0.716 107 G N 2.515 111.356 108.800 0.067 0.000 2.184 107 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.206 107 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.206 107 G C -0.071 174.948 174.900 0.198 0.000 0.995 107 G CA 0.057 45.223 45.100 0.109 0.000 0.651 107 G HN 0.554 nan 8.290 nan 0.000 0.511 108 L N 1.882 123.189 121.223 0.141 0.000 2.441 108 L HA 0.650 4.990 4.340 -0.000 0.000 0.270 108 L C -0.595 176.333 176.870 0.097 0.000 0.973 108 L CA -0.840 54.100 54.840 0.167 0.000 0.842 108 L CB 1.328 43.455 42.059 0.113 0.000 1.239 108 L HN 0.035 nan 8.230 nan 0.000 0.406 109 D N 2.888 123.337 120.400 0.082 0.000 2.362 109 D HA 0.294 4.934 4.640 -0.000 0.000 0.238 109 D C 0.247 176.572 176.300 0.041 0.000 1.212 109 D CA 0.470 54.496 54.000 0.044 0.000 0.902 109 D CB 0.976 41.790 40.800 0.024 0.000 1.180 109 D HN 0.736 nan 8.370 nan 0.000 0.445 110 A N 1.066 123.901 122.820 0.024 0.000 2.366 110 A HA 0.237 4.557 4.320 -0.000 0.000 0.249 110 A C 0.629 178.241 177.584 0.047 0.000 1.084 110 A CA -0.306 51.749 52.037 0.030 0.000 0.794 110 A CB 0.097 19.109 19.000 0.020 0.000 1.034 110 A HN 0.542 nan 8.150 nan 0.000 0.491 111 M N 1.191 120.851 119.600 0.101 0.000 2.245 111 M HA 0.085 4.565 4.480 -0.000 0.000 0.330 111 M C 0.238 176.533 176.300 -0.009 0.000 1.098 111 M CA 0.358 55.731 55.300 0.122 0.000 1.172 111 M CB 0.196 32.966 32.600 0.282 0.000 1.467 111 M HN 0.580 nan 8.290 nan 0.000 0.454 112 E N 3.560 123.706 120.200 -0.089 0.000 2.217 112 E HA 0.099 4.449 4.350 -0.000 0.000 0.279 112 E C -1.598 174.665 176.600 -0.562 0.000 1.068 112 E CA -1.456 54.804 56.400 -0.233 0.000 0.882 112 E CB 0.646 30.265 29.700 -0.136 0.000 1.039 112 E HN 0.381 nan 8.360 nan 0.000 0.418 113 P HA -0.126 nan 4.420 nan 0.000 0.218 113 P C 0.443 177.345 177.300 -0.663 0.000 1.148 113 P CA 1.297 63.603 63.100 -1.322 0.000 0.822 113 P CB 0.494 31.769 31.700 -0.708 0.000 0.784 114 D N -1.445 118.745 120.400 -0.349 0.000 2.620 114 D HA 0.047 4.687 4.640 -0.000 0.000 0.260 114 D C 0.119 176.352 176.300 -0.112 0.000 1.367 114 D CA -0.055 53.840 54.000 -0.175 0.000 0.805 114 D CB 0.222 40.948 40.800 -0.123 0.000 1.096 114 D HN 0.051 nan 8.370 nan 0.000 0.488 115 T N -2.094 112.389 114.554 -0.118 0.000 2.754 115 T HA 0.578 4.928 4.350 -0.000 0.000 0.286 115 T C 0.896 175.577 174.700 -0.032 0.000 0.997 115 T CA -0.634 61.418 62.100 -0.080 0.000 0.982 115 T CB 1.180 70.003 68.868 -0.075 0.000 1.027 115 T HN 0.120 nan 8.240 nan 0.000 0.529 116 A N 2.460 125.255 122.820 -0.043 0.000 2.598 116 A HA 0.291 4.611 4.320 -0.000 0.000 0.239 116 A C -0.745 176.914 177.584 0.125 0.000 1.032 116 A CA -0.745 51.314 52.037 0.037 0.000 0.760 116 A CB -0.428 18.547 19.000 -0.042 0.000 0.946 116 A HN 0.805 nan 8.150 nan 0.000 0.512 117 P HA 0.221 nan 4.420 nan 0.000 0.245 117 P C 0.834 178.369 177.300 0.392 0.000 1.203 117 P CA 1.144 64.401 63.100 0.262 0.000 0.792 117 P CB 0.109 31.962 31.700 0.256 0.000 0.997 118 G N 0.298 109.309 108.800 0.351 0.000 2.627 118 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.214 118 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.214 118 G C -1.193 173.845 174.900 0.231 0.000 1.331 118 G CA -0.636 44.650 45.100 0.310 0.000 0.891 118 G HN 0.237 nan 8.290 nan 0.000 0.539 119 L N 1.320 122.593 121.223 0.084 0.000 2.344 119 L HA 0.534 4.874 4.340 -0.000 0.000 0.272 119 L C -1.166 175.449 176.870 -0.424 0.000 1.035 119 L CA -1.817 52.963 54.840 -0.101 0.000 0.807 119 L CB 2.309 44.339 42.059 -0.048 0.000 1.237 119 L HN 0.504 nan 8.230 nan 0.000 0.442 120 P HA 0.008 nan 4.420 nan 0.000 0.257 120 P C 0.716 177.865 177.300 -0.252 0.000 1.281 120 P CA 0.149 63.008 63.100 -0.400 0.000 0.826 120 P CB -0.003 31.468 31.700 -0.382 0.000 1.237 121 W N 0.990 122.343 121.300 0.089 0.000 2.387 121 W HA -0.039 4.621 4.660 -0.000 0.000 0.272 121 W C 2.302 178.871 176.519 0.083 0.000 1.224 121 W CA 0.537 57.933 57.345 0.084 0.000 1.210 121 W CB -1.271 28.246 29.460 0.094 0.000 1.125 121 W HN -0.004 nan 8.180 nan 0.000 0.572 122 A N 0.453 123.416 122.820 0.237 0.000 1.968 122 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 122 A C 1.836 179.494 177.584 0.124 0.000 1.169 122 A CA 0.835 52.986 52.037 0.191 0.000 0.638 122 A CB -0.758 18.353 19.000 0.184 0.000 0.812 122 A HN 0.338 nan 8.150 nan 0.000 0.446 123 L N -0.831 120.441 121.223 0.082 0.000 2.610 123 L HA -0.024 4.316 4.340 -0.000 0.000 0.232 123 L C 1.467 178.376 176.870 0.065 0.000 1.149 123 L CA 0.485 55.356 54.840 0.052 0.000 0.872 123 L CB -0.146 41.921 42.059 0.012 0.000 0.992 123 L HN 0.478 nan 8.230 nan 0.000 0.447 124 Q N -0.814 119.051 119.800 0.108 0.000 2.155 124 Q HA 0.222 4.562 4.340 -0.000 0.000 0.220 124 Q C 1.353 177.424 176.000 0.117 0.000 0.819 124 Q CA 0.324 56.197 55.803 0.116 0.000 1.032 124 Q CB 1.209 30.047 28.738 0.167 0.000 1.151 124 Q HN 0.380 nan 8.270 nan 0.000 0.487 125 G N 1.919 110.785 108.800 0.109 0.000 2.225 125 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.272 125 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.272 125 G C 0.052 175.018 174.900 0.110 0.000 0.996 125 G CA 0.584 45.742 45.100 0.096 0.000 0.710 125 G HN 0.222 nan 8.290 nan 0.000 0.522 126 K N 0.064 120.555 120.400 0.152 0.000 2.326 126 K HA 0.467 4.787 4.320 -0.000 0.000 0.275 126 K C 0.773 177.452 176.600 0.132 0.000 1.018 126 K CA -0.165 56.203 56.287 0.135 0.000 0.962 126 K CB 0.920 33.514 32.500 0.156 0.000 0.953 126 K HN 0.278 nan 8.250 nan 0.000 0.475 127 R N 1.038 121.587 120.500 0.082 0.000 2.758 127 R HA 0.243 4.583 4.340 -0.000 0.000 0.265 127 R C 1.288 177.622 176.300 0.056 0.000 1.016 127 R CA -0.688 55.458 56.100 0.076 0.000 1.040 127 R CB 0.911 31.244 30.300 0.055 0.000 1.152 127 R HN 0.509 nan 8.270 nan 0.000 0.503 128 R N 0.499 121.045 120.500 0.076 0.000 2.119 128 R HA -0.157 4.183 4.340 -0.000 0.000 0.246 128 R C 1.827 178.240 176.300 0.188 0.000 1.146 128 R CA 2.201 58.373 56.100 0.120 0.000 0.962 128 R CB -0.554 29.838 30.300 0.153 0.000 0.863 128 R HN 0.871 nan 8.270 nan 0.000 0.442 129 G N -1.030 107.880 108.800 0.182 0.000 2.598 129 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.215 129 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.215 129 G C 1.199 176.140 174.900 0.068 0.000 1.131 129 G CA 0.507 45.727 45.100 0.200 0.000 0.785 129 G HN 0.419 nan 8.290 nan 0.000 0.539 130 A N -0.348 122.484 122.820 0.020 0.000 2.206 130 A HA 0.385 4.705 4.320 -0.000 0.000 0.211 130 A C 1.925 179.454 177.584 -0.093 0.000 1.158 130 A CA 0.749 52.772 52.037 -0.023 0.000 0.761 130 A CB -0.007 18.986 19.000 -0.011 0.000 0.801 130 A HN 0.314 nan 8.150 nan 0.000 0.473 131 L N -1.778 119.362 121.223 -0.138 0.000 2.803 131 L HA 0.481 4.821 4.340 -0.000 0.000 0.246 131 L C 0.084 176.815 176.870 -0.232 0.000 1.100 131 L CA 0.713 55.399 54.840 -0.256 0.000 0.919 131 L CB 0.420 42.206 42.059 -0.455 0.000 1.285 131 L HN 0.187 nan 8.230 nan 0.000 0.522 132 I N -1.145 119.296 120.570 -0.214 0.000 2.769 132 I HA 0.279 4.449 4.170 -0.000 0.000 0.298 132 I C -1.262 174.640 176.117 -0.359 0.000 1.128 132 I CA -0.712 60.359 61.300 -0.382 0.000 1.031 132 I CB 2.654 40.228 38.000 -0.710 0.000 1.235 132 I HN -0.200 nan 8.210 nan 0.000 0.423 133 D N 4.225 124.413 120.400 -0.353 0.000 2.427 133 D HA 0.281 4.921 4.640 -0.000 0.000 0.226 133 D C 0.115 176.257 176.300 -0.264 0.000 1.076 133 D CA -0.218 53.669 54.000 -0.189 0.000 0.849 133 D CB 0.776 41.522 40.800 -0.090 0.000 1.052 133 D HN 0.284 nan 8.370 nan 0.000 0.515 134 F N 1.768 121.692 119.950 -0.043 0.000 2.615 134 F HA 0.107 4.634 4.527 -0.000 0.000 0.297 134 F C 2.232 177.999 175.800 -0.054 0.000 1.124 134 F CA 0.214 58.179 58.000 -0.058 0.000 1.451 134 F CB 0.251 39.220 39.000 -0.052 0.000 1.103 134 F HN 0.375 nan 8.300 nan 0.000 0.569 135 E N 0.221 120.496 120.200 0.124 0.000 2.072 135 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 135 E C 1.626 178.262 176.600 0.060 0.000 0.982 135 E CA 1.013 57.459 56.400 0.077 0.000 0.803 135 E CB -0.124 29.616 29.700 0.067 0.000 0.755 135 E HN 0.442 nan 8.360 nan 0.000 0.453 136 N N -1.330 117.400 118.700 0.050 0.000 2.356 136 N HA 0.028 4.768 4.740 -0.000 0.000 0.178 136 N C 0.227 175.825 175.510 0.146 0.000 1.075 136 N CA 0.357 53.472 53.050 0.108 0.000 0.889 136 N CB 0.921 39.453 38.487 0.075 0.000 0.999 136 N HN 0.165 nan 8.380 nan 0.000 0.464 137 G N 2.004 110.773 108.800 -0.051 0.000 2.248 137 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.263 137 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.263 137 G C -0.016 174.880 174.900 -0.008 0.000 1.082 137 G CA 0.676 45.694 45.100 -0.138 0.000 0.863 137 G HN 0.418 nan 8.290 nan 0.000 0.495 138 T N -3.409 111.100 114.554 -0.075 0.000 2.906 138 T HA 0.854 5.204 4.350 -0.000 0.000 0.295 138 T C -0.083 174.534 174.700 -0.138 0.000 1.075 138 T CA -0.249 61.815 62.100 -0.060 0.000 1.005 138 T CB 2.725 71.580 68.868 -0.022 0.000 1.136 138 T HN 1.719 nan 8.240 nan 0.000 0.498 139 V N -0.325 119.523 119.914 -0.111 0.000 2.581 139 V HA 0.945 5.065 4.120 -0.000 0.000 0.303 139 V C 0.716 176.745 176.094 -0.109 0.000 1.041 139 V CA -0.425 61.791 62.300 -0.139 0.000 0.907 139 V CB 0.916 32.669 31.823 -0.118 0.000 0.994 139 V HN 1.323 nan 8.190 nan 0.000 0.442 140 G N 3.315 112.036 108.800 -0.131 0.000 2.683 140 G HA2 0.432 4.392 3.960 -0.000 0.000 0.260 140 G HA3 0.432 4.392 3.960 -0.000 0.000 0.260 140 G C -1.125 173.726 174.900 -0.081 0.000 1.238 140 G CA -0.471 44.568 45.100 -0.102 0.000 0.934 140 G HN 0.709 nan 8.290 nan 0.000 0.534 141 P HA 0.005 nan 4.420 nan 0.000 0.222 141 P C 0.953 178.252 177.300 -0.002 0.000 1.153 141 P CA 0.942 64.030 63.100 -0.021 0.000 0.798 141 P CB 0.385 32.082 31.700 -0.005 0.000 0.796 142 E N -0.213 119.974 120.200 -0.022 0.000 2.204 142 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 142 E C 2.024 178.661 176.600 0.062 0.000 0.989 142 E CA 0.833 57.258 56.400 0.043 0.000 0.824 142 E CB -0.664 29.000 29.700 -0.060 0.000 0.756 142 E HN 0.083 nan 8.360 nan 0.000 0.477 143 V N 0.289 120.170 119.914 -0.056 0.000 2.500 143 V HA -0.121 3.999 4.120 -0.000 0.000 0.243 143 V C 2.163 178.251 176.094 -0.009 0.000 1.039 143 V CA 1.304 63.585 62.300 -0.032 0.000 1.053 143 V CB -0.132 31.615 31.823 -0.126 0.000 0.695 143 V HN 0.153 nan 8.190 nan 0.000 0.463 144 E N 1.431 121.617 120.200 -0.023 0.000 2.097 144 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 144 E C 2.070 178.672 176.600 0.003 0.000 1.000 144 E CA 1.946 58.337 56.400 -0.015 0.000 0.804 144 E CB -0.405 29.285 29.700 -0.016 0.000 0.740 144 E HN 0.520 nan 8.360 nan 0.000 0.454 145 A N 0.359 123.199 122.820 0.033 0.000 1.968 145 A HA 0.080 4.400 4.320 -0.000 0.000 0.217 145 A C 2.382 180.007 177.584 0.068 0.000 1.169 145 A CA 1.727 53.794 52.037 0.051 0.000 0.638 145 A CB -0.796 18.250 19.000 0.076 0.000 0.812 145 A HN 0.382 nan 8.150 nan 0.000 0.446 146 A N -0.264 122.618 122.820 0.102 0.000 1.873 146 A HA 0.009 4.329 4.320 -0.000 0.000 0.215 146 A C 1.958 179.505 177.584 -0.061 0.000 1.186 146 A CA 1.499 53.613 52.037 0.129 0.000 0.616 146 A CB -0.586 18.542 19.000 0.212 0.000 0.823 146 A HN 0.358 nan 8.150 nan 0.000 0.442 147 L N -0.251 120.902 121.223 -0.117 0.000 2.064 147 L HA -0.230 4.110 4.340 -0.000 0.000 0.216 147 L C 2.358 179.107 176.870 -0.201 0.000 1.077 147 L CA 2.414 57.128 54.840 -0.211 0.000 0.766 147 L CB -1.165 40.840 42.059 -0.090 0.000 0.890 147 L HN 0.366 nan 8.230 nan 0.000 0.435 148 K N -0.572 119.774 120.400 -0.089 0.000 2.057 148 K HA -0.069 4.251 4.320 -0.000 0.000 0.206 148 K C 2.048 178.603 176.600 -0.076 0.000 1.050 148 K CA 0.873 57.121 56.287 -0.066 0.000 0.935 148 K CB -0.241 32.246 32.500 -0.022 0.000 0.715 148 K HN 0.218 nan 8.250 nan 0.000 0.439 149 L N -0.048 121.157 121.223 -0.031 0.000 2.456 149 L HA -0.082 4.258 4.340 -0.000 0.000 0.224 149 L C 2.029 178.866 176.870 -0.056 0.000 1.148 149 L CA 0.769 55.616 54.840 0.012 0.000 0.825 149 L CB -0.250 41.897 42.059 0.146 0.000 0.937 149 L HN 0.321 nan 8.230 nan 0.000 0.450 150 M N -1.323 118.144 119.600 -0.222 0.000 2.325 150 M HA -0.061 4.419 4.480 -0.000 0.000 0.265 150 M C 1.976 177.987 176.300 -0.481 0.000 1.094 150 M CA 0.922 55.962 55.300 -0.434 0.000 1.161 150 M CB -0.046 31.984 32.600 -0.951 0.000 1.358 150 M HN 0.051 nan 8.290 nan 0.000 0.446 151 E N 0.892 120.887 120.200 -0.342 0.000 2.204 151 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 151 E C 1.477 177.974 176.600 -0.172 0.000 0.990 151 E CA 1.048 57.357 56.400 -0.152 0.000 0.821 151 E CB -0.149 29.517 29.700 -0.057 0.000 0.750 151 E HN 0.436 nan 8.360 nan 0.000 0.477 152 K N 0.207 120.480 120.400 -0.210 0.000 2.404 152 K HA 0.095 4.415 4.320 -0.000 0.000 0.194 152 K C -0.012 176.393 176.600 -0.325 0.000 1.023 152 K CA -0.111 56.059 56.287 -0.193 0.000 1.094 152 K CB 0.282 32.714 32.500 -0.114 0.000 0.841 152 K HN -0.022 nan 8.250 nan 0.000 0.523 153 R N 0.693 120.830 120.500 -0.606 0.000 3.516 153 R HA -0.187 4.153 4.340 -0.000 0.000 0.271 153 R C -0.197 175.857 176.300 -0.411 0.000 1.098 153 R CA 0.997 56.417 56.100 -1.133 0.000 0.732 153 R CB -1.660 27.888 30.300 -1.254 0.000 1.152 153 R HN 0.424 nan 8.270 nan 0.000 0.455 154 E N -1.058 119.069 120.200 -0.121 0.000 2.601 154 E HA 0.002 4.352 4.350 -0.000 0.000 0.219 154 E C -0.190 176.537 176.600 0.211 0.000 0.964 154 E CA -0.362 56.079 56.400 0.069 0.000 1.050 154 E CB 0.314 30.023 29.700 0.016 0.000 1.068 154 E HN 0.361 nan 8.360 nan 0.000 0.496 155 Y N 3.038 123.455 120.300 0.195 0.000 2.610 155 Y HA 0.045 4.595 4.550 -0.000 0.000 0.332 155 Y C -0.079 176.025 175.900 0.341 0.000 1.201 155 Y CA 0.221 58.475 58.100 0.258 0.000 1.465 155 Y CB 0.440 39.066 38.460 0.276 0.000 1.283 155 Y HN -0.317 nan 8.280 nan 0.000 0.563 156 K N 6.927 127.070 120.400 -0.429 0.000 2.435 156 K HA 0.480 4.800 4.320 -0.000 0.000 0.251 156 K C -1.494 174.799 176.600 -0.511 0.000 0.954 156 K CA -0.644 55.451 56.287 -0.319 0.000 0.820 156 K CB 2.278 34.664 32.500 -0.189 0.000 1.292 156 K HN 0.716 nan 8.250 nan 0.000 0.436 157 F N -1.725 117.982 119.950 -0.405 0.000 2.741 157 F HA 0.783 5.310 4.527 -0.000 0.000 0.313 157 F C -1.729 173.955 175.800 -0.194 0.000 1.153 157 F CA -1.295 56.521 58.000 -0.306 0.000 0.931 157 F CB 1.176 40.083 39.000 -0.154 0.000 1.335 157 F HN 0.435 nan 8.300 nan 0.000 0.460 158 A N 0.558 123.396 122.820 0.030 0.000 2.401 158 A HA 0.732 5.052 4.320 -0.000 0.000 0.310 158 A C -1.340 176.300 177.584 0.093 0.000 1.075 158 A CA -0.772 51.221 52.037 -0.074 0.000 0.746 158 A CB 1.074 20.018 19.000 -0.094 0.000 1.277 158 A HN 1.033 nan 8.150 nan 0.000 0.425 159 C N 1.138 120.416 119.300 -0.037 0.000 2.452 159 C HA 0.532 4.992 4.460 -0.000 0.000 0.379 159 C C 0.576 175.624 174.990 0.097 0.000 1.275 159 C CA -0.189 58.852 59.018 0.037 0.000 2.056 159 C CB 0.267 27.916 27.740 -0.152 0.000 2.506 159 C HN 0.880 nan 8.230 nan 0.000 0.560 160 Q N 1.715 121.613 119.800 0.163 0.000 2.331 160 Q HA 0.265 4.605 4.340 -0.000 0.000 0.257 160 Q C -0.458 175.657 176.000 0.192 0.000 0.957 160 Q CA 0.057 55.940 55.803 0.133 0.000 0.923 160 Q CB 0.777 29.591 28.738 0.127 0.000 1.212 160 Q HN 0.797 nan 8.270 nan 0.000 0.443 161 T N 4.917 119.577 114.554 0.177 0.000 2.779 161 T HA 0.273 4.623 4.350 -0.000 0.000 0.296 161 T C -0.750 173.987 174.700 0.062 0.000 0.938 161 T CA 0.254 62.492 62.100 0.229 0.000 1.119 161 T CB -0.037 69.037 68.868 0.343 0.000 0.891 161 T HN 0.319 nan 8.240 nan 0.000 0.526 162 F N 2.074 122.124 119.950 0.167 0.000 2.508 162 F HA 0.495 5.022 4.527 -0.000 0.000 0.325 162 F C 0.314 176.165 175.800 0.085 0.000 1.090 162 F CA -1.263 56.817 58.000 0.133 0.000 0.945 162 F CB 1.196 40.256 39.000 0.101 0.000 1.156 162 F HN 0.269 nan 8.300 nan 0.000 0.463 163 L N 2.768 124.150 121.223 0.266 0.000 2.397 163 L HA 0.286 4.626 4.340 -0.000 0.000 0.271 163 L C 0.160 177.109 176.870 0.131 0.000 1.148 163 L CA -0.495 54.428 54.840 0.138 0.000 0.825 163 L CB 0.660 42.784 42.059 0.108 0.000 1.117 163 L HN 0.528 nan 8.230 nan 0.000 0.456 164 K N 2.121 122.557 120.400 0.061 0.000 2.285 164 K HA 0.079 4.399 4.320 -0.000 0.000 0.286 164 K C -0.691 175.920 176.600 0.019 0.000 1.072 164 K CA -0.573 55.737 56.287 0.039 0.000 0.913 164 K CB 0.582 33.093 32.500 0.017 0.000 1.067 164 K HN 0.402 nan 8.250 nan 0.000 0.479 165 D N 4.898 125.310 120.400 0.020 0.000 2.352 165 D HA 0.046 4.686 4.640 -0.000 0.000 0.245 165 D C -0.726 175.560 176.300 -0.023 0.000 1.224 165 D CA 0.256 54.257 54.000 0.001 0.000 0.879 165 D CB 0.384 41.192 40.800 0.013 0.000 1.057 165 D HN 0.659 nan 8.370 nan 0.000 0.491 166 E N 2.543 122.717 120.200 -0.043 0.000 2.422 166 E HA 0.258 4.608 4.350 -0.000 0.000 0.280 166 E C -1.087 175.455 176.600 -0.097 0.000 1.091 166 E CA -0.899 55.465 56.400 -0.060 0.000 0.849 166 E CB 0.420 30.097 29.700 -0.039 0.000 1.353 166 E HN 0.042 nan 8.360 nan 0.000 0.449 167 I N 1.469 121.970 120.570 -0.116 0.000 2.519 167 I HA 0.371 4.541 4.170 -0.000 0.000 0.287 167 I C 0.521 176.641 176.117 0.004 0.000 1.047 167 I CA -0.074 61.139 61.300 -0.145 0.000 1.381 167 I CB 0.308 38.206 38.000 -0.171 0.000 1.417 167 I HN 0.547 nan 8.210 nan 0.000 0.540 168 R N 5.127 125.674 120.500 0.078 0.000 2.799 168 R HA 0.452 4.792 4.340 -0.000 0.000 0.270 168 R C -2.685 173.724 176.300 0.181 0.000 1.010 168 R CA -1.881 54.304 56.100 0.141 0.000 0.916 168 R CB 1.897 32.211 30.300 0.022 0.000 1.228 168 R HN 0.212 nan 8.270 nan 0.000 0.469 169 P HA -0.011 nan 4.420 nan 0.000 0.265 169 P C 0.769 177.933 177.300 -0.226 0.000 1.187 169 P CA 0.019 62.869 63.100 -0.416 0.000 0.766 169 P CB 0.480 31.999 31.700 -0.301 0.000 0.820 170 M N 2.064 121.511 119.600 -0.255 0.000 2.080 170 M HA -0.173 4.307 4.480 -0.000 0.000 0.260 170 M C 1.838 178.080 176.300 -0.096 0.000 1.068 170 M CA 1.813 57.043 55.300 -0.116 0.000 1.109 170 M CB -1.430 31.120 32.600 -0.083 0.000 1.342 170 M HN 0.544 nan 8.290 nan 0.000 0.405 171 E N 0.230 120.357 120.200 -0.122 0.000 2.065 171 E HA -0.270 4.080 4.350 -0.000 0.000 0.201 171 E C 1.955 178.513 176.600 -0.069 0.000 1.016 171 E CA 1.849 58.196 56.400 -0.087 0.000 0.818 171 E CB 0.038 29.681 29.700 -0.095 0.000 0.749 171 E HN 0.479 nan 8.360 nan 0.000 0.453 172 K N -0.200 120.154 120.400 -0.077 0.000 2.148 172 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 172 K C 2.136 178.707 176.600 -0.048 0.000 1.050 172 K CA 0.888 57.141 56.287 -0.057 0.000 0.942 172 K CB 0.013 32.482 32.500 -0.052 0.000 0.724 172 K HN 0.032 nan 8.250 nan 0.000 0.446 173 V N 1.429 121.314 119.914 -0.049 0.000 2.295 173 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 173 V C 2.089 178.165 176.094 -0.031 0.000 1.049 173 V CA 1.672 63.950 62.300 -0.037 0.000 1.024 173 V CB -0.325 31.478 31.823 -0.033 0.000 0.648 173 V HN 0.272 nan 8.190 nan 0.000 0.447 174 R N -0.384 120.097 120.500 -0.032 0.000 2.237 174 R HA -0.036 4.304 4.340 -0.000 0.000 0.219 174 R C 2.017 178.302 176.300 -0.024 0.000 1.080 174 R CA 1.092 57.177 56.100 -0.024 0.000 0.995 174 R CB -0.284 30.002 30.300 -0.023 0.000 0.875 174 R HN 0.548 nan 8.270 nan 0.000 0.462 175 A N -0.358 122.444 122.820 -0.031 0.000 2.147 175 A HA 0.239 4.559 4.320 -0.000 0.000 0.211 175 A C 1.399 178.964 177.584 -0.031 0.000 1.160 175 A CA 0.764 52.783 52.037 -0.030 0.000 0.781 175 A CB 0.296 19.276 19.000 -0.034 0.000 0.842 175 A HN 0.369 nan 8.150 nan 0.000 0.475 176 G N -0.329 108.450 108.800 -0.034 0.000 2.131 176 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.223 176 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.223 176 G C 0.185 175.052 174.900 -0.056 0.000 0.990 176 G CA 0.300 45.377 45.100 -0.039 0.000 0.671 176 G HN 0.473 nan 8.290 nan 0.000 0.521 177 K N 1.727 122.095 120.400 -0.054 0.000 3.006 177 K HA 0.244 4.564 4.320 -0.000 0.000 0.265 177 K C 0.394 176.956 176.600 -0.064 0.000 1.279 177 K CA 0.034 56.283 56.287 -0.063 0.000 1.229 177 K CB 0.013 32.481 32.500 -0.053 0.000 1.555 177 K HN 0.289 nan 8.250 nan 0.000 0.300 178 T N 1.722 116.232 114.554 -0.074 0.000 2.851 178 T HA 0.133 4.483 4.350 -0.000 0.000 0.298 178 T C 0.571 175.213 174.700 -0.097 0.000 0.977 178 T CA -0.245 61.813 62.100 -0.071 0.000 1.126 178 T CB 0.752 69.581 68.868 -0.065 0.000 0.916 178 T HN 0.289 nan 8.240 nan 0.000 0.529 179 R N 2.096 122.554 120.500 -0.070 0.000 2.543 179 R HA 0.653 4.993 4.340 -0.000 0.000 0.268 179 R C 0.313 176.569 176.300 -0.072 0.000 1.067 179 R CA -0.731 55.324 56.100 -0.075 0.000 1.142 179 R CB 0.755 31.032 30.300 -0.038 0.000 1.110 179 R HN 0.672 nan 8.270 nan 0.000 0.549 180 I N -2.306 118.218 120.570 -0.078 0.000 2.646 180 I HA 0.540 4.710 4.170 -0.000 0.000 0.299 180 I C -0.759 175.387 176.117 0.049 0.000 1.036 180 I CA -1.230 60.046 61.300 -0.039 0.000 1.074 180 I CB 2.186 40.093 38.000 -0.157 0.000 1.258 180 I HN 0.135 nan 8.210 nan 0.000 0.430 181 V N 3.467 123.461 119.914 0.133 0.000 2.459 181 V HA 0.321 4.441 4.120 -0.000 0.000 0.295 181 V C -0.665 175.582 176.094 0.255 0.000 1.029 181 V CA -0.499 61.905 62.300 0.173 0.000 0.874 181 V CB 1.570 33.489 31.823 0.161 0.000 0.985 181 V HN 0.697 nan 8.190 nan 0.000 0.438 182 D N 4.216 124.761 120.400 0.242 0.000 2.500 182 D HA 0.210 4.850 4.640 -0.000 0.000 0.219 182 D C -0.247 176.206 176.300 0.255 0.000 1.137 182 D CA -0.105 54.072 54.000 0.295 0.000 0.946 182 D CB 1.794 42.798 40.800 0.340 0.000 1.022 182 D HN 0.211 nan 8.370 nan 0.000 0.518 183 V N 3.248 123.346 119.914 0.307 0.000 2.439 183 V HA 0.053 4.173 4.120 -0.000 0.000 0.271 183 V C 0.537 176.756 176.094 0.209 0.000 1.040 183 V CA -0.293 62.170 62.300 0.272 0.000 1.002 183 V CB 0.632 32.700 31.823 0.407 0.000 1.000 183 V HN 0.297 nan 8.190 nan 0.000 0.477 184 L N 8.514 129.816 121.223 0.132 0.000 2.399 184 L HA 0.529 4.869 4.340 -0.000 0.000 0.265 184 L C -2.167 174.765 176.870 0.103 0.000 1.089 184 L CA -1.600 53.267 54.840 0.044 0.000 0.802 184 L CB 1.146 43.120 42.059 -0.142 0.000 1.180 184 L HN 0.413 nan 8.230 nan 0.000 0.454 185 P HA -0.008 nan 4.420 nan 0.000 0.268 185 P C 0.694 178.153 177.300 0.264 0.000 1.205 185 P CA -0.079 63.184 63.100 0.271 0.000 0.771 185 P CB 0.741 32.641 31.700 0.333 0.000 0.858 186 V N 3.200 123.307 119.914 0.321 0.000 2.867 186 V HA -0.212 3.908 4.120 -0.000 0.000 0.260 186 V C 1.916 178.099 176.094 0.148 0.000 1.099 186 V CA 2.117 64.539 62.300 0.205 0.000 1.122 186 V CB -0.962 30.963 31.823 0.170 0.000 0.708 186 V HN 0.639 nan 8.190 nan 0.000 0.490 187 E N -0.513 119.797 120.200 0.184 0.000 2.112 187 E HA -0.297 4.053 4.350 -0.000 0.000 0.190 187 E C 1.991 178.575 176.600 -0.026 0.000 0.979 187 E CA 1.841 58.277 56.400 0.060 0.000 0.814 187 E CB -0.810 28.929 29.700 0.065 0.000 0.762 187 E HN 0.837 nan 8.360 nan 0.000 0.460 188 H N 0.887 119.875 119.070 -0.137 0.000 2.319 188 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 188 H C 2.172 177.449 175.328 -0.085 0.000 1.092 188 H CA 2.241 58.160 56.048 -0.216 0.000 1.302 188 H CB -0.064 29.471 29.762 -0.378 0.000 1.373 188 H HN 0.095 nan 8.280 nan 0.000 0.497 189 I N 0.282 120.941 120.570 0.149 0.000 2.127 189 I HA -0.284 3.886 4.170 -0.000 0.000 0.241 189 I C 2.608 178.756 176.117 0.053 0.000 1.075 189 I CA 0.981 62.348 61.300 0.111 0.000 1.334 189 I CB -0.363 37.706 38.000 0.114 0.000 1.040 189 I HN 0.392 nan 8.210 nan 0.000 0.405 190 L N -0.237 121.016 121.223 0.049 0.000 1.990 190 L HA -0.326 4.014 4.340 -0.000 0.000 0.213 190 L C 2.662 179.540 176.870 0.013 0.000 1.072 190 L CA 2.312 57.168 54.840 0.026 0.000 0.755 190 L CB -0.697 41.369 42.059 0.011 0.000 0.889 190 L HN 0.295 nan 8.230 nan 0.000 0.432 191 Y N 0.944 121.158 120.300 -0.142 0.000 2.200 191 Y HA -0.226 4.324 4.550 -0.000 0.000 0.290 191 Y C 2.655 178.453 175.900 -0.169 0.000 1.137 191 Y CA 2.251 60.246 58.100 -0.176 0.000 1.163 191 Y CB -0.545 37.763 38.460 -0.252 0.000 0.988 191 Y HN 0.208 nan 8.280 nan 0.000 0.518 192 T N 0.309 114.756 114.554 -0.179 0.000 2.720 192 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 192 T C 1.917 176.523 174.700 -0.157 0.000 1.037 192 T CA 1.849 63.819 62.100 -0.217 0.000 1.144 192 T CB -0.239 68.551 68.868 -0.131 0.000 0.864 192 T HN 0.303 nan 8.240 nan 0.000 0.444 193 R N 0.461 120.912 120.500 -0.081 0.000 2.096 193 R HA 0.051 4.391 4.340 -0.000 0.000 0.235 193 R C 2.603 178.864 176.300 -0.064 0.000 1.127 193 R CA 1.330 57.411 56.100 -0.032 0.000 0.968 193 R CB -0.363 29.940 30.300 0.005 0.000 0.861 193 R HN 0.422 nan 8.270 nan 0.000 0.440 194 M N -0.518 118.996 119.600 -0.144 0.000 2.117 194 M HA -0.173 4.307 4.480 -0.000 0.000 0.262 194 M C 2.074 178.248 176.300 -0.210 0.000 1.065 194 M CA 1.444 56.635 55.300 -0.181 0.000 1.114 194 M CB -0.148 32.296 32.600 -0.261 0.000 1.361 194 M HN 0.109 nan 8.290 nan 0.000 0.408 195 M N -0.107 119.298 119.600 -0.325 0.000 2.200 195 M HA 0.018 4.498 4.480 -0.000 0.000 0.265 195 M C 1.931 178.264 176.300 0.056 0.000 1.066 195 M CA 1.517 56.686 55.300 -0.218 0.000 1.127 195 M CB -0.567 31.820 32.600 -0.356 0.000 1.379 195 M HN 0.448 nan 8.290 nan 0.000 0.420 196 I N -5.415 115.198 120.570 0.072 0.000 4.390 196 I HA 0.394 4.564 4.170 -0.000 0.000 0.334 196 I C 1.528 177.838 176.117 0.320 0.000 1.379 196 I CA 0.087 61.574 61.300 0.311 0.000 1.197 196 I CB -0.522 37.594 38.000 0.194 0.000 1.396 196 I HN 0.024 nan 8.210 nan 0.000 0.511 197 G N 1.560 110.452 108.800 0.153 0.000 2.422 197 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 197 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 197 G C 1.688 176.649 174.900 0.101 0.000 1.146 197 G CA 0.881 46.044 45.100 0.104 0.000 0.769 197 G HN 0.376 nan 8.290 nan 0.000 0.547 198 R N -0.807 119.770 120.500 0.128 0.000 2.062 198 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 198 R C 2.278 178.649 176.300 0.118 0.000 1.136 198 R CA 1.292 57.445 56.100 0.089 0.000 0.948 198 R CB -0.517 29.820 30.300 0.060 0.000 0.845 198 R HN 0.338 nan 8.270 nan 0.000 0.430 199 F N 1.188 121.184 119.950 0.075 0.000 2.063 199 F HA -0.399 4.128 4.527 -0.000 0.000 0.298 199 F C 2.256 178.091 175.800 0.059 0.000 1.105 199 F CA 1.824 59.910 58.000 0.143 0.000 1.215 199 F CB -0.834 38.443 39.000 0.462 0.000 0.972 199 F HN 0.097 nan 8.300 nan 0.000 0.483 200 C N 0.723 119.977 119.300 -0.076 0.000 2.401 200 C HA -0.205 4.255 4.460 -0.000 0.000 0.276 200 C C 3.191 177.784 174.990 -0.661 0.000 1.233 200 C CA 1.366 60.135 59.018 -0.415 0.000 1.753 200 C CB -2.013 25.632 27.740 -0.159 0.000 2.029 200 C HN 0.703 nan 8.230 nan 0.000 0.478 201 A N -0.549 122.070 122.820 -0.334 0.000 1.902 201 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 201 A C 2.033 179.504 177.584 -0.189 0.000 1.181 201 A CA 2.099 54.007 52.037 -0.214 0.000 0.623 201 A CB -0.636 18.333 19.000 -0.050 0.000 0.818 201 A HN 0.641 nan 8.150 nan 0.000 0.443 202 Q N -1.257 118.425 119.800 -0.197 0.000 2.230 202 Q HA -0.012 4.328 4.340 -0.000 0.000 0.202 202 Q C 2.070 177.945 176.000 -0.209 0.000 0.963 202 Q CA 1.185 56.899 55.803 -0.148 0.000 0.866 202 Q CB -0.185 28.498 28.738 -0.092 0.000 0.931 202 Q HN 0.615 nan 8.270 nan 0.000 0.452 203 M N -0.962 118.399 119.600 -0.400 0.000 2.077 203 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 203 M C 1.863 178.097 176.300 -0.110 0.000 1.070 203 M CA 1.817 56.906 55.300 -0.352 0.000 1.125 203 M CB -1.030 31.242 32.600 -0.547 0.000 1.339 203 M HN 0.444 nan 8.290 nan 0.000 0.409 204 H N -0.601 118.408 119.070 -0.101 0.000 2.319 204 H HA -0.109 4.447 4.556 -0.000 0.000 0.297 204 H C 2.262 177.587 175.328 -0.005 0.000 1.097 204 H CA 1.520 57.548 56.048 -0.034 0.000 1.285 204 H CB -0.119 29.633 29.762 -0.016 0.000 1.368 204 H HN 0.355 nan 8.280 nan 0.000 0.495 205 S N 0.356 116.115 115.700 0.098 0.000 2.453 205 S HA -0.055 4.415 4.470 -0.000 0.000 0.231 205 S C 1.264 175.890 174.600 0.043 0.000 1.005 205 S CA 0.625 58.861 58.200 0.061 0.000 0.949 205 S CB 0.064 63.283 63.200 0.031 0.000 0.774 205 S HN 0.449 nan 8.310 nan 0.000 0.510 206 N N 2.541 121.254 118.700 0.022 0.000 2.321 206 N HA 0.089 4.829 4.740 -0.000 0.000 0.242 206 N C -0.554 174.982 175.510 0.043 0.000 1.141 206 N CA -0.105 52.955 53.050 0.016 0.000 0.864 206 N CB 0.021 38.496 38.487 -0.020 0.000 1.100 206 N HN 0.562 nan 8.380 nan 0.000 0.510 207 N N 0.779 119.535 118.700 0.093 0.000 2.454 207 N HA 0.312 5.052 4.740 -0.000 0.000 0.254 207 N C 0.455 176.080 175.510 0.193 0.000 1.228 207 N CA 0.275 53.413 53.050 0.147 0.000 0.900 207 N CB 0.832 39.450 38.487 0.219 0.000 1.089 207 N HN 0.102 nan 8.380 nan 0.000 0.449 208 G N 0.492 109.385 108.800 0.154 0.000 2.339 208 G HA2 0.156 4.116 3.960 -0.000 0.000 0.302 208 G HA3 0.156 4.116 3.960 -0.000 0.000 0.302 208 G C -2.594 172.251 174.900 -0.092 0.000 1.425 208 G CA -0.710 44.463 45.100 0.122 0.000 0.899 208 G HN 0.399 nan 8.290 nan 0.000 0.619 209 P HA -0.131 nan 4.420 nan 0.000 0.220 209 P C 1.467 178.643 177.300 -0.207 0.000 1.148 209 P CA 1.188 64.070 63.100 -0.364 0.000 0.803 209 P CB 0.255 31.408 31.700 -0.912 0.000 0.782 210 Q N 0.719 120.422 119.800 -0.161 0.000 2.096 210 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 210 Q C 2.069 178.038 176.000 -0.052 0.000 0.982 210 Q CA 1.759 57.510 55.803 -0.088 0.000 0.850 210 Q CB -0.478 28.224 28.738 -0.061 0.000 0.901 210 Q HN 0.359 nan 8.270 nan 0.000 0.422 211 I N -4.584 115.966 120.570 -0.034 0.000 3.883 211 I HA 0.409 4.579 4.170 -0.000 0.000 0.326 211 I C 0.990 177.177 176.117 0.117 0.000 1.283 211 I CA 0.506 61.809 61.300 0.005 0.000 1.161 211 I CB 0.189 38.167 38.000 -0.036 0.000 1.012 211 I HN 0.247 nan 8.210 nan 0.000 0.421 212 G N 1.782 110.615 108.800 0.054 0.000 2.198 212 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 212 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 212 G C 0.135 175.074 174.900 0.065 0.000 1.025 212 G CA 0.509 45.648 45.100 0.065 0.000 0.769 212 G HN 0.673 nan 8.290 nan 0.000 0.507 213 S N -1.228 114.501 115.700 0.048 0.000 2.538 213 S HA 0.791 5.261 4.470 -0.000 0.000 0.288 213 S C 0.574 175.227 174.600 0.088 0.000 1.108 213 S CA 0.484 58.723 58.200 0.065 0.000 0.971 213 S CB 1.742 64.975 63.200 0.055 0.000 1.041 213 S HN 1.619 nan 8.310 nan 0.000 0.483 214 A N 3.759 126.677 122.820 0.163 0.000 2.470 214 A HA 0.467 4.787 4.320 -0.000 0.000 0.251 214 A C 0.155 177.902 177.584 0.272 0.000 1.245 214 A CA -0.086 52.154 52.037 0.338 0.000 0.932 214 A CB -0.025 19.337 19.000 0.604 0.000 1.037 214 A HN 0.711 nan 8.150 nan 0.000 0.522 215 V N 0.373 120.218 119.914 -0.115 0.000 2.599 215 V HA 0.420 4.540 4.120 -0.000 0.000 0.300 215 V C 1.673 177.782 176.094 0.025 0.000 1.034 215 V CA 1.254 63.354 62.300 -0.332 0.000 1.115 215 V CB 0.169 31.765 31.823 -0.378 0.000 0.934 215 V HN 1.146 nan 8.190 nan 0.000 0.485 216 G N 2.629 111.432 108.800 0.004 0.000 2.199 216 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.254 216 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.254 216 G C 0.526 175.501 174.900 0.124 0.000 0.982 216 G CA 0.131 45.223 45.100 -0.013 0.000 0.632 216 G HN 1.377 nan 8.290 nan 0.000 0.529 217 C N 0.028 119.478 119.300 0.250 0.000 2.649 217 C HA 0.747 5.207 4.460 -0.000 0.000 0.377 217 C C 0.458 175.567 174.990 0.199 0.000 1.321 217 C CA -0.517 58.673 59.018 0.286 0.000 2.368 217 C CB 1.236 29.299 27.740 0.538 0.000 2.597 217 C HN 0.774 nan 8.230 nan 0.000 0.678 218 N N 1.775 120.560 118.700 0.142 0.000 2.531 218 N HA 0.396 5.136 4.740 -0.000 0.000 0.268 218 N C -1.964 173.589 175.510 0.072 0.000 1.023 218 N CA -2.283 50.814 53.050 0.077 0.000 0.896 218 N CB 1.520 40.032 38.487 0.041 0.000 1.233 218 N HN 0.376 nan 8.380 nan 0.000 0.512 219 P HA -0.120 nan 4.420 nan 0.000 0.216 219 P C 0.545 177.787 177.300 -0.097 0.000 1.153 219 P CA 1.122 64.141 63.100 -0.134 0.000 0.858 219 P CB 0.407 31.724 31.700 -0.638 0.000 0.789 220 D N -1.071 119.307 120.400 -0.036 0.000 2.133 220 D HA -0.156 4.484 4.640 -0.000 0.000 0.192 220 D C 1.843 178.316 176.300 0.289 0.000 1.001 220 D CA 1.693 55.806 54.000 0.188 0.000 0.844 220 D CB -0.690 40.281 40.800 0.284 0.000 0.944 220 D HN 0.143 nan 8.370 nan 0.000 0.447 221 V N -1.745 118.237 119.914 0.113 0.000 3.431 221 V HA 0.074 4.194 4.120 -0.000 0.000 0.253 221 V C 1.136 177.220 176.094 -0.017 0.000 1.184 221 V CA 0.893 63.196 62.300 0.006 0.000 1.104 221 V CB 0.238 32.018 31.823 -0.071 0.000 0.799 221 V HN -0.145 nan 8.190 nan 0.000 0.462 222 D N -0.464 119.931 120.400 -0.009 0.000 2.323 222 D HA -0.062 4.578 4.640 -0.000 0.000 0.209 222 D C 1.792 177.964 176.300 -0.212 0.000 0.973 222 D CA 0.842 54.689 54.000 -0.255 0.000 0.874 222 D CB -0.172 40.391 40.800 -0.396 0.000 0.930 222 D HN 0.668 nan 8.370 nan 0.000 0.521 223 W N 1.320 122.553 121.300 -0.112 0.000 2.350 223 W HA -0.231 4.429 4.660 -0.000 0.000 0.289 223 W C 2.338 179.015 176.519 0.263 0.000 1.215 223 W CA 0.581 58.014 57.345 0.148 0.000 1.236 223 W CB 0.192 29.743 29.460 0.152 0.000 1.130 223 W HN 0.054 nan 8.180 nan 0.000 0.541 224 Q N 0.805 120.829 119.800 0.374 0.000 2.020 224 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 224 Q C 2.187 178.320 176.000 0.221 0.000 0.982 224 Q CA 1.768 57.788 55.803 0.362 0.000 0.838 224 Q CB -0.774 28.016 28.738 0.086 0.000 0.899 224 Q HN 0.054 nan 8.270 nan 0.000 0.423 225 R N -1.077 119.442 120.500 0.032 0.000 2.096 225 R HA -0.149 4.191 4.340 -0.000 0.000 0.240 225 R C 2.015 178.405 176.300 0.149 0.000 1.139 225 R CA 1.734 57.845 56.100 0.018 0.000 0.952 225 R CB -0.311 29.907 30.300 -0.137 0.000 0.854 225 R HN 0.322 nan 8.270 nan 0.000 0.436 226 F N -0.762 119.236 119.950 0.082 0.000 2.187 226 F HA 0.079 4.606 4.527 -0.000 0.000 0.295 226 F C 2.497 178.216 175.800 -0.134 0.000 1.091 226 F CA 0.857 58.863 58.000 0.010 0.000 1.308 226 F CB -1.428 37.609 39.000 0.063 0.000 1.030 226 F HN 0.115 nan 8.300 nan 0.000 0.487 227 G N 0.152 108.862 108.800 -0.150 0.000 2.491 227 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 227 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 227 G C 1.704 176.342 174.900 -0.437 0.000 1.180 227 G CA 2.036 46.577 45.100 -0.932 0.000 0.774 227 G HN 0.407 nan 8.290 nan 0.000 0.562 228 T N -1.691 112.876 114.554 0.022 0.000 2.833 228 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 228 T C 2.051 176.815 174.700 0.107 0.000 1.054 228 T CA 1.720 63.945 62.100 0.208 0.000 1.135 228 T CB -0.472 68.558 68.868 0.271 0.000 0.869 228 T HN 0.533 nan 8.240 nan 0.000 0.466 229 H N 0.475 119.527 119.070 -0.029 0.000 2.326 229 H HA 0.086 4.642 4.556 -0.000 0.000 0.301 229 H C 1.607 176.872 175.328 -0.106 0.000 1.081 229 H CA 1.528 57.507 56.048 -0.114 0.000 1.334 229 H CB -0.538 29.065 29.762 -0.265 0.000 1.385 229 H HN 0.439 nan 8.280 nan 0.000 0.504 230 F N -0.029 119.917 119.950 -0.007 0.000 2.558 230 F HA 0.120 4.647 4.527 -0.000 0.000 0.298 230 F C 2.596 178.372 175.800 -0.040 0.000 1.119 230 F CA 0.409 58.359 58.000 -0.084 0.000 1.451 230 F CB -0.108 38.725 39.000 -0.279 0.000 1.091 230 F HN 0.334 nan 8.300 nan 0.000 0.563 231 A N 0.223 123.095 122.820 0.087 0.000 2.076 231 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 231 A C 2.017 179.637 177.584 0.060 0.000 1.160 231 A CA 1.556 53.645 52.037 0.086 0.000 0.653 231 A CB -0.764 18.326 19.000 0.149 0.000 0.801 231 A HN 0.565 nan 8.150 nan 0.000 0.455 232 Q N -1.777 118.029 119.800 0.010 0.000 2.247 232 Q HA 0.178 4.518 4.340 -0.000 0.000 0.205 232 Q C -1.047 174.754 176.000 -0.331 0.000 0.896 232 Q CA -0.238 55.469 55.803 -0.160 0.000 0.950 232 Q CB -0.196 28.394 28.738 -0.248 0.000 1.054 232 Q HN 0.596 nan 8.270 nan 0.000 0.482 233 Y N -0.305 119.951 120.300 -0.073 0.000 2.429 233 Y HA 0.406 4.956 4.550 -0.000 0.000 0.342 233 Y C 0.989 176.855 175.900 -0.058 0.000 1.004 233 Y CA -1.122 56.949 58.100 -0.049 0.000 1.075 233 Y CB 1.624 40.083 38.460 -0.003 0.000 1.214 233 Y HN -0.114 nan 8.280 nan 0.000 0.455 234 R N 0.758 121.302 120.500 0.073 0.000 2.148 234 R HA 0.032 4.372 4.340 -0.000 0.000 0.223 234 R C -0.457 175.804 176.300 -0.065 0.000 1.088 234 R CA 0.886 56.985 56.100 -0.002 0.000 0.985 234 R CB 0.086 30.379 30.300 -0.011 0.000 0.880 234 R HN 0.616 nan 8.270 nan 0.000 0.451 235 N N -0.152 118.481 118.700 -0.112 0.000 2.249 235 N HA 0.278 5.018 4.740 -0.000 0.000 0.296 235 N C -1.526 173.599 175.510 -0.642 0.000 1.051 235 N CA -0.370 52.390 53.050 -0.485 0.000 0.815 235 N CB 3.131 41.206 38.487 -0.687 0.000 1.487 235 N HN -0.248 nan 8.380 nan 0.000 0.475 236 V N 1.809 121.269 119.914 -0.756 0.000 2.623 236 V HA 0.490 4.610 4.120 -0.000 0.000 0.304 236 V C -0.923 174.833 176.094 -0.564 0.000 1.054 236 V CA -0.783 61.219 62.300 -0.497 0.000 0.882 236 V CB 2.346 34.003 31.823 -0.277 0.000 1.002 236 V HN 0.558 nan 8.190 nan 0.000 0.424 237 W N 1.666 122.861 121.300 -0.175 0.000 2.573 237 W HA 0.457 5.117 4.660 -0.000 0.000 0.326 237 W C -0.639 175.728 176.519 -0.253 0.000 1.049 237 W CA -0.587 56.613 57.345 -0.242 0.000 1.220 237 W CB 2.078 31.163 29.460 -0.625 0.000 1.373 237 W HN 0.484 nan 8.180 nan 0.000 0.507 238 D N 2.386 122.821 120.400 0.058 0.000 2.412 238 D HA 0.365 5.005 4.640 -0.000 0.000 0.224 238 D C -0.849 175.483 176.300 0.054 0.000 1.093 238 D CA -0.131 53.877 54.000 0.012 0.000 0.850 238 D CB 1.341 42.147 40.800 0.009 0.000 1.046 238 D HN -0.090 nan 8.370 nan 0.000 0.507 239 V N 4.049 123.955 119.914 -0.013 0.000 2.417 239 V HA 0.316 4.436 4.120 -0.000 0.000 0.291 239 V C -0.132 175.934 176.094 -0.046 0.000 1.024 239 V CA -0.873 61.401 62.300 -0.044 0.000 0.861 239 V CB 1.894 33.547 31.823 -0.283 0.000 0.985 239 V HN 0.398 nan 8.190 nan 0.000 0.436 240 D N 3.152 123.528 120.400 -0.040 0.000 2.256 240 D HA 0.446 5.086 4.640 -0.000 0.000 0.240 240 D C -0.587 175.661 176.300 -0.087 0.000 1.062 240 D CA -0.006 53.987 54.000 -0.012 0.000 0.832 240 D CB 1.463 42.266 40.800 0.005 0.000 1.135 240 D HN 0.407 nan 8.370 nan 0.000 0.484 241 Y N 0.152 120.457 120.300 0.009 0.000 2.374 241 Y HA 0.293 4.843 4.550 -0.000 0.000 0.322 241 Y C 1.119 177.055 175.900 0.061 0.000 1.275 241 Y CA -0.529 57.609 58.100 0.063 0.000 1.307 241 Y CB 1.223 39.794 38.460 0.184 0.000 1.282 241 Y HN 0.146 nan 8.280 nan 0.000 0.509 242 S N 1.394 117.237 115.700 0.239 0.000 2.474 242 S HA 0.556 5.026 4.470 -0.000 0.000 0.321 242 S C -0.204 174.480 174.600 0.140 0.000 1.080 242 S CA -0.148 58.135 58.200 0.138 0.000 1.106 242 S CB 0.053 63.298 63.200 0.075 0.000 0.984 242 S HN 1.263 nan 8.310 nan 0.000 0.464 243 A N 4.181 127.066 122.820 0.109 0.000 2.519 243 A HA -0.208 4.112 4.320 -0.000 0.000 0.297 243 A C 0.656 178.277 177.584 0.062 0.000 1.472 243 A CA 0.932 53.005 52.037 0.060 0.000 0.739 243 A CB -2.631 16.367 19.000 -0.004 0.000 1.096 243 A HN 1.388 nan 8.150 nan 0.000 0.414 244 F N 0.843 120.756 119.950 -0.061 0.000 2.043 244 F HA -0.204 4.323 4.527 -0.000 0.000 0.297 244 F C 1.746 177.281 175.800 -0.441 0.000 1.121 244 F CA 2.815 60.691 58.000 -0.207 0.000 1.199 244 F CB -0.206 38.660 39.000 -0.224 0.000 0.968 244 F HN 0.512 nan 8.300 nan 0.000 0.478 245 D N 0.238 120.560 120.400 -0.129 0.000 2.133 245 D HA -0.188 4.452 4.640 -0.000 0.000 0.195 245 D C 2.239 178.426 176.300 -0.189 0.000 0.997 245 D CA 1.736 55.642 54.000 -0.155 0.000 0.840 245 D CB -0.592 40.277 40.800 0.115 0.000 0.947 245 D HN 0.392 nan 8.370 nan 0.000 0.452 246 A N 0.162 122.907 122.820 -0.124 0.000 2.016 246 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 246 A C 1.663 179.211 177.584 -0.059 0.000 1.162 246 A CA 0.765 52.776 52.037 -0.044 0.000 0.662 246 A CB -0.058 18.886 19.000 -0.094 0.000 0.812 246 A HN 0.095 nan 8.150 nan 0.000 0.450 247 N N 0.203 118.796 118.700 -0.179 0.000 2.322 247 N HA 0.006 4.746 4.740 -0.000 0.000 0.194 247 N C -0.499 174.917 175.510 -0.156 0.000 1.126 247 N CA 0.064 53.032 53.050 -0.136 0.000 0.845 247 N CB -0.130 38.295 38.487 -0.102 0.000 0.976 247 N HN 0.462 nan 8.380 nan 0.000 0.475 248 H N 0.815 119.811 119.070 -0.125 0.000 2.964 248 H HA 0.002 4.558 4.556 -0.000 0.000 0.328 248 H C 0.876 176.145 175.328 -0.098 0.000 1.030 248 H CA -0.263 55.713 56.048 -0.119 0.000 1.445 248 H CB 0.472 30.159 29.762 -0.125 0.000 1.449 248 H HN 0.211 nan 8.280 nan 0.000 0.581 249 C N 1.904 121.195 119.300 -0.014 0.000 2.365 249 C HA 0.317 4.777 4.460 -0.000 0.000 0.351 249 C C 2.098 177.029 174.990 -0.098 0.000 1.240 249 C CA -0.699 58.275 59.018 -0.074 0.000 2.062 249 C CB 0.840 28.503 27.740 -0.129 0.000 2.387 249 C HN 0.855 nan 8.230 nan 0.000 0.537 250 S N 1.897 117.556 115.700 -0.067 0.000 2.426 250 S HA -0.247 4.223 4.470 -0.000 0.000 0.253 250 S C 1.449 175.981 174.600 -0.113 0.000 1.104 250 S CA 2.750 60.910 58.200 -0.065 0.000 1.158 250 S CB -0.402 62.772 63.200 -0.043 0.000 1.043 250 S HN 0.932 nan 8.310 nan 0.000 0.443 251 D N 1.128 121.436 120.400 -0.152 0.000 2.084 251 D HA -0.016 4.624 4.640 -0.000 0.000 0.194 251 D C 2.288 178.386 176.300 -0.336 0.000 0.990 251 D CA 1.295 55.178 54.000 -0.195 0.000 0.826 251 D CB -0.791 39.893 40.800 -0.194 0.000 0.971 251 D HN 0.415 nan 8.370 nan 0.000 0.453 252 A N 1.293 123.796 122.820 -0.528 0.000 1.884 252 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 252 A C 2.353 179.702 177.584 -0.392 0.000 1.197 252 A CA 2.237 53.775 52.037 -0.833 0.000 0.637 252 A CB -0.789 17.843 19.000 -0.613 0.000 0.827 252 A HN 0.172 nan 8.150 nan 0.000 0.450 253 M N -0.923 118.473 119.600 -0.340 0.000 2.065 253 M HA -0.232 4.248 4.480 -0.000 0.000 0.259 253 M C 2.049 178.002 176.300 -0.578 0.000 1.071 253 M CA 2.290 57.270 55.300 -0.533 0.000 1.109 253 M CB -0.832 31.561 32.600 -0.345 0.000 1.313 253 M HN 0.556 nan 8.290 nan 0.000 0.408 254 N N 0.551 119.123 118.700 -0.214 0.000 2.104 254 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 254 N C 1.635 177.166 175.510 0.035 0.000 1.024 254 N CA 1.430 54.475 53.050 -0.009 0.000 0.853 254 N CB -0.254 38.251 38.487 0.031 0.000 1.008 254 N HN 0.290 nan 8.380 nan 0.000 0.424 255 I N 0.300 120.880 120.570 0.015 0.000 2.252 255 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 255 I C 2.497 178.735 176.117 0.201 0.000 1.102 255 I CA 0.713 62.101 61.300 0.146 0.000 1.385 255 I CB -0.264 37.876 38.000 0.233 0.000 1.064 255 I HN 0.304 nan 8.210 nan 0.000 0.414 256 M N 1.127 120.836 119.600 0.182 0.000 2.073 256 M HA -0.254 4.226 4.480 -0.000 0.000 0.258 256 M C 2.355 178.777 176.300 0.205 0.000 1.070 256 M CA 2.278 57.654 55.300 0.126 0.000 1.103 256 M CB -0.647 31.951 32.600 -0.003 0.000 1.321 256 M HN 0.105 nan 8.290 nan 0.000 0.405 257 F N 1.030 121.103 119.950 0.206 0.000 2.161 257 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 257 F C 2.364 178.296 175.800 0.220 0.000 1.089 257 F CA 1.423 59.564 58.000 0.234 0.000 1.282 257 F CB -1.302 37.753 39.000 0.091 0.000 1.010 257 F HN 0.336 nan 8.300 nan 0.000 0.485 258 E N -0.370 120.030 120.200 0.333 0.000 2.107 258 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 258 E C 2.094 178.827 176.600 0.221 0.000 0.982 258 E CA 1.044 57.589 56.400 0.242 0.000 0.809 258 E CB -0.032 29.778 29.700 0.184 0.000 0.756 258 E HN 0.254 nan 8.360 nan 0.000 0.459 259 E N 0.050 120.377 120.200 0.212 0.000 2.122 259 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 259 E C 2.173 178.904 176.600 0.218 0.000 0.977 259 E CA 0.571 57.092 56.400 0.201 0.000 0.820 259 E CB 0.081 29.868 29.700 0.146 0.000 0.770 259 E HN 0.112 nan 8.360 nan 0.000 0.462 260 V N -0.044 119.921 119.914 0.085 0.000 2.649 260 V HA -0.055 4.065 4.120 -0.000 0.000 0.248 260 V C 0.975 176.765 176.094 -0.507 0.000 1.054 260 V CA 0.956 63.106 62.300 -0.249 0.000 1.073 260 V CB -0.279 31.253 31.823 -0.486 0.000 0.699 260 V HN 0.086 nan 8.190 nan 0.000 0.463 261 F N 0.347 120.245 119.950 -0.087 0.000 2.923 261 F HA 0.413 4.940 4.527 -0.000 0.000 0.314 261 F C 1.042 176.820 175.800 -0.036 0.000 1.196 261 F CA -0.620 57.077 58.000 -0.505 0.000 1.320 261 F CB -0.142 38.418 39.000 -0.732 0.000 0.953 261 F HN -0.090 nan 8.300 nan 0.000 0.505 262 R N 0.069 120.779 120.500 0.351 0.000 2.594 262 R HA 0.108 4.448 4.340 -0.000 0.000 0.272 262 R C 1.710 178.124 176.300 0.191 0.000 1.074 262 R CA 0.637 56.856 56.100 0.198 0.000 1.105 262 R CB 0.655 30.939 30.300 -0.026 0.000 1.008 262 R HN 0.331 nan 8.270 nan 0.000 0.472 263 T N -1.533 113.065 114.554 0.074 0.000 2.788 263 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 263 T C 1.520 176.180 174.700 -0.067 0.000 1.044 263 T CA 1.448 63.575 62.100 0.046 0.000 1.139 263 T CB -0.227 68.638 68.868 -0.004 0.000 0.867 263 T HN 0.811 nan 8.240 nan 0.000 0.454 264 E N 0.535 120.608 120.200 -0.211 0.000 2.333 264 E HA -0.163 4.187 4.350 -0.000 0.000 0.200 264 E C 0.968 177.331 176.600 -0.396 0.000 1.010 264 E CA 0.907 57.105 56.400 -0.338 0.000 0.841 264 E CB -0.603 28.833 29.700 -0.441 0.000 0.757 264 E HN 0.601 nan 8.360 nan 0.000 0.508 265 F N -0.001 119.915 119.950 -0.057 0.000 2.765 265 F HA 0.386 4.913 4.527 -0.000 0.000 0.302 265 F C 1.727 177.322 175.800 -0.340 0.000 1.111 265 F CA 0.328 58.200 58.000 -0.214 0.000 1.359 265 F CB 0.966 39.758 39.000 -0.346 0.000 1.097 265 F HN 0.243 nan 8.300 nan 0.000 0.577 266 G N -0.606 108.133 108.800 -0.101 0.000 2.195 266 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.224 266 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.224 266 G C 0.261 175.038 174.900 -0.205 0.000 0.990 266 G CA -0.678 44.309 45.100 -0.188 0.000 0.639 266 G HN 0.156 nan 8.290 nan 0.000 0.514 267 F N 2.308 122.281 119.950 0.038 0.000 2.459 267 F HA 0.442 4.969 4.527 -0.000 0.000 0.346 267 F C 1.377 177.224 175.800 0.078 0.000 1.128 267 F CA -0.453 57.596 58.000 0.082 0.000 1.268 267 F CB 0.462 39.542 39.000 0.133 0.000 1.161 267 F HN 0.104 nan 8.300 nan 0.000 0.583 268 H N 5.600 124.794 119.070 0.206 0.000 2.897 268 H HA 0.028 4.584 4.556 -0.000 0.000 0.347 268 H C -1.575 173.835 175.328 0.137 0.000 1.068 268 H CA -1.438 54.681 56.048 0.119 0.000 1.426 268 H CB 1.439 31.241 29.762 0.066 0.000 1.410 268 H HN 0.306 nan 8.280 nan 0.000 0.597 269 P HA -0.132 nan 4.420 nan 0.000 0.221 269 P C 0.522 177.976 177.300 0.255 0.000 1.145 269 P CA 1.003 64.143 63.100 0.066 0.000 0.795 269 P CB 0.452 32.113 31.700 -0.065 0.000 0.775 270 N N -0.636 118.383 118.700 0.532 0.000 2.398 270 N HA 0.097 4.837 4.740 -0.000 0.000 0.188 270 N C 1.592 177.272 175.510 0.284 0.000 1.122 270 N CA 0.455 53.769 53.050 0.440 0.000 0.866 270 N CB -0.377 38.373 38.487 0.438 0.000 0.970 270 N HN 0.085 nan 8.380 nan 0.000 0.462 271 A N 1.094 124.025 122.820 0.184 0.000 1.877 271 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 271 A C 2.108 179.600 177.584 -0.154 0.000 1.186 271 A CA 1.331 53.341 52.037 -0.046 0.000 0.620 271 A CB -0.464 18.518 19.000 -0.030 0.000 0.822 271 A HN 0.348 nan 8.150 nan 0.000 0.443 272 E N -1.515 118.681 120.200 -0.007 0.000 2.058 272 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 272 E C 1.856 178.451 176.600 -0.009 0.000 0.997 272 E CA 1.626 58.022 56.400 -0.007 0.000 0.801 272 E CB -0.297 29.485 29.700 0.137 0.000 0.746 272 E HN 0.775 nan 8.360 nan 0.000 0.450 273 W N 0.900 122.189 121.300 -0.017 0.000 2.355 273 W HA -0.209 4.451 4.660 -0.000 0.000 0.309 273 W C 2.099 178.617 176.519 -0.002 0.000 1.206 273 W CA 1.477 58.837 57.345 0.025 0.000 1.284 273 W CB -0.492 29.015 29.460 0.078 0.000 1.145 273 W HN 0.171 nan 8.180 nan 0.000 0.502 274 I N 0.806 121.393 120.570 0.028 0.000 2.208 274 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 274 I C 2.284 178.163 176.117 -0.396 0.000 1.097 274 I CA 1.763 62.922 61.300 -0.236 0.000 1.363 274 I CB -0.823 37.167 38.000 -0.017 0.000 1.051 274 I HN 0.048 nan 8.210 nan 0.000 0.413 275 L N -0.206 120.701 121.223 -0.527 0.000 2.083 275 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 275 L C 2.403 178.883 176.870 -0.650 0.000 1.083 275 L CA 1.415 55.732 54.840 -0.872 0.000 0.752 275 L CB -0.732 40.295 42.059 -1.721 0.000 0.899 275 L HN 0.133 nan 8.230 nan 0.000 0.433 276 K N -0.351 119.800 120.400 -0.415 0.000 2.283 276 K HA -0.114 4.206 4.320 -0.000 0.000 0.202 276 K C 1.967 178.495 176.600 -0.119 0.000 1.048 276 K CA 1.588 57.819 56.287 -0.095 0.000 0.948 276 K CB -0.211 32.264 32.500 -0.043 0.000 0.742 276 K HN 0.467 nan 8.250 nan 0.000 0.458 277 T N -1.012 113.391 114.554 -0.251 0.000 3.098 277 T HA -0.019 4.331 4.350 -0.000 0.000 0.266 277 T C 1.530 176.300 174.700 0.117 0.000 1.145 277 T CA 0.618 62.666 62.100 -0.085 0.000 1.092 277 T CB -0.174 68.710 68.868 0.028 0.000 0.908 277 T HN 0.102 nan 8.240 nan 0.000 0.526 278 L N 0.184 121.478 121.223 0.118 0.000 2.529 278 L HA 0.193 4.533 4.340 -0.000 0.000 0.223 278 L C 2.492 179.449 176.870 0.146 0.000 1.113 278 L CA -0.083 54.858 54.840 0.168 0.000 0.861 278 L CB -0.154 42.015 42.059 0.183 0.000 1.012 278 L HN 0.146 nan 8.230 nan 0.000 0.461 279 V N -0.508 119.478 119.914 0.120 0.000 2.283 279 V HA -0.139 3.981 4.120 -0.000 0.000 0.243 279 V C 0.474 176.591 176.094 0.038 0.000 1.039 279 V CA 1.315 63.671 62.300 0.094 0.000 1.016 279 V CB -0.402 31.472 31.823 0.086 0.000 0.650 279 V HN 0.432 nan 8.190 nan 0.000 0.449 280 N N 0.409 119.102 118.700 -0.011 0.000 2.476 280 N HA 0.484 5.224 4.740 -0.000 0.000 0.257 280 N C -0.505 174.926 175.510 -0.132 0.000 0.970 280 N CA -0.065 52.952 53.050 -0.056 0.000 0.938 280 N CB 1.484 39.933 38.487 -0.063 0.000 1.144 280 N HN 0.510 nan 8.380 nan 0.000 0.500 281 T N -1.529 112.954 114.554 -0.118 0.000 2.907 281 T HA 0.479 4.829 4.350 -0.000 0.000 0.292 281 T C -0.512 174.039 174.700 -0.249 0.000 1.043 281 T CA -0.961 60.985 62.100 -0.255 0.000 1.003 281 T CB 2.114 70.852 68.868 -0.218 0.000 1.084 281 T HN 0.262 nan 8.240 nan 0.000 0.483 282 E N 0.845 120.811 120.200 -0.390 0.000 2.175 282 E HA 0.252 4.602 4.350 -0.000 0.000 0.278 282 E C -0.847 175.532 176.600 -0.369 0.000 0.969 282 E CA -0.801 55.437 56.400 -0.270 0.000 0.796 282 E CB 0.653 30.210 29.700 -0.238 0.000 1.104 282 E HN 0.654 nan 8.360 nan 0.000 0.395 283 H N 1.756 120.792 119.070 -0.056 0.000 2.539 283 H HA 0.399 4.955 4.556 -0.000 0.000 0.332 283 H C -0.829 174.520 175.328 0.035 0.000 1.031 283 H CA -0.746 55.316 56.048 0.023 0.000 1.206 283 H CB 1.773 31.576 29.762 0.070 0.000 1.446 283 H HN 0.479 nan 8.280 nan 0.000 0.496 284 A N 4.193 127.102 122.820 0.149 0.000 2.260 284 A HA 0.359 4.679 4.320 -0.000 0.000 0.308 284 A C -1.318 176.389 177.584 0.205 0.000 1.254 284 A CA -0.428 51.676 52.037 0.112 0.000 0.874 284 A CB 0.040 19.059 19.000 0.033 0.000 1.153 284 A HN 0.696 nan 8.150 nan 0.000 0.527 285 Y N 2.605 122.936 120.300 0.051 0.000 2.315 285 Y HA 0.380 4.930 4.550 -0.000 0.000 0.324 285 Y C 0.471 176.385 175.900 0.024 0.000 1.062 285 Y CA -0.314 57.828 58.100 0.070 0.000 1.159 285 Y CB 0.577 39.185 38.460 0.247 0.000 1.145 285 Y HN 1.068 nan 8.280 nan 0.000 0.442 286 E N 1.815 121.732 120.200 -0.472 0.000 3.211 286 E HA -0.401 3.949 4.350 -0.000 0.000 0.393 286 E C 0.330 176.816 176.600 -0.190 0.000 1.515 286 E CA 1.851 57.999 56.400 -0.421 0.000 1.385 286 E CB -0.848 28.497 29.700 -0.591 0.000 1.616 286 E HN 0.830 nan 8.360 nan 0.000 0.489 287 N N 2.210 120.826 118.700 -0.140 0.000 2.424 287 N HA 0.030 4.770 4.740 -0.000 0.000 0.178 287 N C 0.411 175.901 175.510 -0.033 0.000 1.060 287 N CA 0.856 53.864 53.050 -0.070 0.000 0.901 287 N CB 0.036 38.489 38.487 -0.057 0.000 0.979 287 N HN 0.049 nan 8.380 nan 0.000 0.451 288 K N 0.706 121.107 120.400 0.001 0.000 2.237 288 K HA 0.257 4.577 4.320 -0.000 0.000 0.270 288 K C -0.264 176.347 176.600 0.018 0.000 1.015 288 K CA -0.204 56.099 56.287 0.027 0.000 0.949 288 K CB 0.686 33.241 32.500 0.091 0.000 0.976 288 K HN -0.040 nan 8.250 nan 0.000 0.472 289 R N 3.283 123.768 120.500 -0.025 0.000 2.412 289 R HA 0.332 4.672 4.340 -0.000 0.000 0.304 289 R C -0.936 175.319 176.300 -0.075 0.000 1.066 289 R CA -0.637 55.443 56.100 -0.034 0.000 0.923 289 R CB 0.343 30.617 30.300 -0.044 0.000 1.156 289 R HN 0.517 nan 8.270 nan 0.000 0.513 290 I N 1.759 122.275 120.570 -0.088 0.000 2.304 290 I HA 0.175 4.345 4.170 -0.000 0.000 0.291 290 I C 0.563 176.636 176.117 -0.074 0.000 1.018 290 I CA 0.036 61.240 61.300 -0.161 0.000 1.260 290 I CB 1.601 39.377 38.000 -0.373 0.000 1.390 290 I HN 0.211 nan 8.210 nan 0.000 0.475 291 T N 6.326 120.821 114.554 -0.098 0.000 2.729 291 T HA 0.436 4.786 4.350 -0.000 0.000 0.296 291 T C -0.051 174.588 174.700 -0.102 0.000 0.928 291 T CA -0.290 61.761 62.100 -0.081 0.000 1.045 291 T CB 0.512 69.327 68.868 -0.088 0.000 0.902 291 T HN 0.196 nan 8.240 nan 0.000 0.500 292 V N 4.316 124.188 119.914 -0.069 0.000 2.555 292 V HA 0.432 4.552 4.120 -0.000 0.000 0.302 292 V C 0.044 176.094 176.094 -0.073 0.000 1.038 292 V CA -0.921 61.299 62.300 -0.134 0.000 0.887 292 V CB 2.055 33.730 31.823 -0.247 0.000 0.991 292 V HN 0.796 nan 8.190 nan 0.000 0.434 293 E N 2.467 122.621 120.200 -0.077 0.000 2.145 293 E HA 0.617 4.967 4.350 -0.000 0.000 0.270 293 E C 0.238 176.828 176.600 -0.017 0.000 0.906 293 E CA 0.071 56.447 56.400 -0.039 0.000 0.761 293 E CB 1.872 31.549 29.700 -0.040 0.000 1.116 293 E HN 1.109 nan 8.360 nan 0.000 0.408 294 G N 1.878 110.686 108.800 0.013 0.000 2.730 294 G HA2 0.244 4.204 3.960 -0.000 0.000 0.686 294 G HA3 0.244 4.204 3.960 -0.000 0.000 0.686 294 G C 0.108 175.059 174.900 0.084 0.000 1.343 294 G CA -0.487 44.636 45.100 0.037 0.000 0.826 294 G HN 1.062 nan 8.290 nan 0.000 0.582 295 G N -0.485 108.384 108.800 0.114 0.000 2.690 295 G HA2 0.382 4.342 3.960 -0.000 0.000 0.686 295 G HA3 0.382 4.342 3.960 -0.000 0.000 0.686 295 G C -0.346 174.677 174.900 0.205 0.000 1.277 295 G CA 0.169 45.364 45.100 0.159 0.000 0.799 295 G HN 1.586 nan 8.290 nan 0.000 0.613 296 M N 1.578 121.326 119.600 0.247 0.000 2.180 296 M HA 0.384 4.864 4.480 -0.000 0.000 0.350 296 M C -2.123 174.319 176.300 0.236 0.000 1.125 296 M CA -2.390 53.065 55.300 0.257 0.000 1.031 296 M CB 1.079 33.869 32.600 0.317 0.000 1.623 296 M HN 0.320 nan 8.290 nan 0.000 0.451 297 P HA 0.105 nan 4.420 nan 0.000 0.271 297 P C -0.493 176.928 177.300 0.202 0.000 1.220 297 P CA -0.244 63.005 63.100 0.247 0.000 0.768 297 P CB 0.316 32.157 31.700 0.235 0.000 0.848 298 S N 2.280 118.094 115.700 0.190 0.000 2.505 298 S HA 0.449 4.919 4.470 -0.000 0.000 0.276 298 S C 1.044 175.734 174.600 0.150 0.000 1.274 298 S CA 0.273 58.568 58.200 0.160 0.000 1.053 298 S CB -0.456 62.824 63.200 0.134 0.000 0.919 298 S HN 0.953 nan 8.310 nan 0.000 0.490 299 G N 1.925 110.805 108.800 0.133 0.000 2.165 299 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.226 299 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.226 299 G C 0.286 175.251 174.900 0.109 0.000 1.035 299 G CA -0.181 44.988 45.100 0.115 0.000 0.744 299 G HN 1.877 nan 8.290 nan 0.000 0.501 300 C N -0.523 118.842 119.300 0.109 0.000 2.358 300 C HA 0.907 5.367 4.460 -0.000 0.000 0.354 300 C C 1.423 176.477 174.990 0.106 0.000 1.183 300 C CA -0.294 58.776 59.018 0.086 0.000 2.150 300 C CB 1.207 28.988 27.740 0.067 0.000 2.361 300 C HN 1.581 nan 8.230 nan 0.000 0.535 301 S N 1.635 117.400 115.700 0.108 0.000 2.558 301 S HA 0.356 4.826 4.470 -0.000 0.000 0.291 301 S C 1.274 175.937 174.600 0.105 0.000 1.306 301 S CA 1.069 59.330 58.200 0.103 0.000 1.056 301 S CB -0.183 63.069 63.200 0.088 0.000 0.836 301 S HN 2.867 nan 8.310 nan 0.000 0.504 302 A N 2.665 125.558 122.820 0.122 0.000 2.945 302 A HA -0.209 4.111 4.320 -0.000 0.000 0.263 302 A C 1.776 179.455 177.584 0.158 0.000 1.293 302 A CA 1.969 54.092 52.037 0.144 0.000 0.944 302 A CB -3.180 15.898 19.000 0.130 0.000 1.093 302 A HN 1.389 nan 8.150 nan 0.000 0.786 303 T N -0.635 114.010 114.554 0.152 0.000 2.685 303 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 303 T C 1.964 176.778 174.700 0.189 0.000 1.034 303 T CA 2.828 65.032 62.100 0.173 0.000 1.149 303 T CB -0.314 68.655 68.868 0.167 0.000 0.860 303 T HN 0.871 nan 8.240 nan 0.000 0.449 304 S N 0.237 116.040 115.700 0.171 0.000 2.383 304 S HA 0.096 4.566 4.470 -0.000 0.000 0.227 304 S C 1.933 176.595 174.600 0.104 0.000 1.026 304 S CA 1.017 59.305 58.200 0.147 0.000 0.981 304 S CB -0.289 62.972 63.200 0.102 0.000 0.818 304 S HN 0.491 nan 8.310 nan 0.000 0.472 305 I N 1.030 121.675 120.570 0.125 0.000 2.252 305 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 305 I C 1.930 178.180 176.117 0.222 0.000 1.102 305 I CA 1.071 62.461 61.300 0.150 0.000 1.385 305 I CB -0.211 37.898 38.000 0.182 0.000 1.064 305 I HN 0.234 nan 8.210 nan 0.000 0.414 306 I N 0.614 121.331 120.570 0.244 0.000 2.252 306 I HA -0.296 3.873 4.170 -0.000 0.000 0.245 306 I C 2.079 178.285 176.117 0.149 0.000 1.102 306 I CA 1.359 62.813 61.300 0.257 0.000 1.385 306 I CB -0.460 37.708 38.000 0.279 0.000 1.064 306 I HN 0.246 nan 8.210 nan 0.000 0.414 307 N N 0.249 119.064 118.700 0.192 0.000 2.104 307 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 307 N C 1.792 177.463 175.510 0.268 0.000 1.024 307 N CA 1.893 55.134 53.050 0.318 0.000 0.853 307 N CB -0.564 38.207 38.487 0.473 0.000 1.008 307 N HN 0.280 nan 8.380 nan 0.000 0.424 308 T N 0.929 115.578 114.554 0.158 0.000 2.708 308 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 308 T C 1.998 176.725 174.700 0.045 0.000 1.037 308 T CA 0.811 62.966 62.100 0.091 0.000 1.146 308 T CB -0.293 68.610 68.868 0.058 0.000 0.865 308 T HN 0.170 nan 8.240 nan 0.000 0.435 309 I N 0.788 121.409 120.570 0.085 0.000 2.163 309 I HA -0.179 3.991 4.170 -0.000 0.000 0.243 309 I C 2.314 178.325 176.117 -0.176 0.000 1.085 309 I CA 1.317 62.642 61.300 0.042 0.000 1.347 309 I CB -0.477 37.659 38.000 0.227 0.000 1.044 309 I HN 0.181 nan 8.210 nan 0.000 0.408 310 L N 0.250 121.358 121.223 -0.193 0.000 2.042 310 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 310 L C 2.303 178.792 176.870 -0.634 0.000 1.076 310 L CA 1.874 56.406 54.840 -0.512 0.000 0.749 310 L CB -0.806 40.822 42.059 -0.718 0.000 0.893 310 L HN 0.357 nan 8.230 nan 0.000 0.432 311 N N -0.214 118.399 118.700 -0.146 0.000 2.069 311 N HA -0.226 4.514 4.740 -0.000 0.000 0.191 311 N C 1.736 177.256 175.510 0.016 0.000 1.031 311 N CA 1.232 54.323 53.050 0.068 0.000 0.852 311 N CB 0.040 38.565 38.487 0.064 0.000 1.018 311 N HN 0.331 nan 8.380 nan 0.000 0.423 312 N N 0.557 119.156 118.700 -0.169 0.000 2.104 312 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 312 N C 1.770 177.106 175.510 -0.289 0.000 1.024 312 N CA 1.174 54.039 53.050 -0.309 0.000 0.853 312 N CB -0.146 37.815 38.487 -0.876 0.000 1.008 312 N HN 0.375 nan 8.380 nan 0.000 0.424 313 I N 0.242 120.590 120.570 -0.371 0.000 2.353 313 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 313 I C 1.856 177.997 176.117 0.040 0.000 1.119 313 I CA 0.696 61.834 61.300 -0.269 0.000 1.417 313 I CB -0.300 37.438 38.000 -0.437 0.000 1.078 313 I HN 0.043 nan 8.210 nan 0.000 0.421 314 Y N 0.642 121.005 120.300 0.105 0.000 2.181 314 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 314 Y C 2.674 178.621 175.900 0.080 0.000 1.146 314 Y CA 0.640 58.868 58.100 0.213 0.000 1.164 314 Y CB -1.411 37.352 38.460 0.506 0.000 0.982 314 Y HN -0.050 nan 8.280 nan 0.000 0.515 315 V N -0.196 119.923 119.914 0.341 0.000 2.295 315 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 315 V C 2.415 178.436 176.094 -0.122 0.000 1.049 315 V CA 1.593 63.974 62.300 0.135 0.000 1.024 315 V CB -0.965 30.937 31.823 0.131 0.000 0.648 315 V HN 0.297 nan 8.190 nan 0.000 0.447 316 L N -0.450 120.773 121.223 -0.000 0.000 1.994 316 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 316 L C 2.318 179.177 176.870 -0.018 0.000 1.071 316 L CA 2.249 57.106 54.840 0.028 0.000 0.745 316 L CB -1.070 41.063 42.059 0.124 0.000 0.892 316 L HN 0.482 nan 8.230 nan 0.000 0.431 317 Y N 0.355 120.586 120.300 -0.115 0.000 2.053 317 Y HA -0.310 4.240 4.550 -0.000 0.000 0.277 317 Y C 2.401 178.161 175.900 -0.233 0.000 1.159 317 Y CA 2.455 60.484 58.100 -0.118 0.000 1.125 317 Y CB -0.725 37.739 38.460 0.006 0.000 0.969 317 Y HN 0.251 nan 8.280 nan 0.000 0.492 318 A N 0.335 122.994 122.820 -0.268 0.000 1.908 318 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 318 A C 2.311 179.596 177.584 -0.498 0.000 1.181 318 A CA 2.028 53.740 52.037 -0.542 0.000 0.627 318 A CB -1.167 17.179 19.000 -1.090 0.000 0.818 318 A HN 0.603 nan 8.150 nan 0.000 0.445 319 L N -1.630 119.356 121.223 -0.396 0.000 2.072 319 L HA -0.083 4.256 4.340 -0.000 0.000 0.205 319 L C 2.804 179.543 176.870 -0.220 0.000 1.079 319 L CA 1.133 55.804 54.840 -0.282 0.000 0.752 319 L CB -0.356 41.552 42.059 -0.252 0.000 0.906 319 L HN 0.304 nan 8.230 nan 0.000 0.436 320 R N -0.395 119.961 120.500 -0.242 0.000 2.148 320 R HA -0.134 4.206 4.340 -0.000 0.000 0.227 320 R C 2.300 178.393 176.300 -0.344 0.000 1.103 320 R CA 0.843 56.814 56.100 -0.216 0.000 0.983 320 R CB -0.148 30.055 30.300 -0.163 0.000 0.874 320 R HN 0.213 nan 8.270 nan 0.000 0.451 321 R N -0.922 119.236 120.500 -0.570 0.000 2.235 321 R HA -0.130 4.210 4.340 -0.000 0.000 0.213 321 R C 1.395 177.233 176.300 -0.770 0.000 1.059 321 R CA 1.268 56.922 56.100 -0.743 0.000 0.997 321 R CB 0.056 29.725 30.300 -1.052 0.000 0.884 321 R HN 0.260 nan 8.270 nan 0.000 0.462 322 H N -1.987 116.609 119.070 -0.790 0.000 2.501 322 H HA 0.231 4.787 4.556 -0.000 0.000 0.281 322 H C -0.597 174.447 175.328 -0.473 0.000 0.988 322 H CA 0.493 56.135 56.048 -0.676 0.000 1.232 322 H CB 0.426 29.741 29.762 -0.747 0.000 1.455 322 H HN -0.008 nan 8.280 nan 0.000 0.501 323 Y N 0.705 120.891 120.300 -0.190 0.000 2.567 323 Y HA 0.363 4.913 4.550 -0.000 0.000 0.333 323 Y C 0.206 176.004 175.900 -0.170 0.000 1.106 323 Y CA -1.158 56.834 58.100 -0.179 0.000 1.157 323 Y CB 1.583 39.967 38.460 -0.126 0.000 1.277 323 Y HN 0.049 nan 8.280 nan 0.000 0.490 324 E N -0.150 120.079 120.200 0.048 0.000 2.232 324 E HA 0.329 4.679 4.350 -0.000 0.000 0.265 324 E C 0.252 176.832 176.600 -0.033 0.000 1.001 324 E CA -0.037 56.352 56.400 -0.018 0.000 0.870 324 E CB 1.495 31.177 29.700 -0.029 0.000 1.175 324 E HN 0.923 nan 8.360 nan 0.000 0.407 325 G N 0.603 109.379 108.800 -0.040 0.000 2.225 325 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.267 325 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.267 325 G C 0.123 174.980 174.900 -0.071 0.000 1.024 325 G CA 0.257 45.328 45.100 -0.048 0.000 0.784 325 G HN 0.269 nan 8.290 nan 0.000 0.507 326 V N 0.942 120.824 119.914 -0.053 0.000 2.408 326 V HA 0.448 4.568 4.120 -0.000 0.000 0.267 326 V C 0.316 176.416 176.094 0.010 0.000 1.047 326 V CA -0.183 62.092 62.300 -0.042 0.000 0.937 326 V CB 1.296 33.111 31.823 -0.013 0.000 0.999 326 V HN 0.366 nan 8.190 nan 0.000 0.472 327 E N 3.321 123.531 120.200 0.018 0.000 2.334 327 E HA 0.451 4.801 4.350 -0.000 0.000 0.256 327 E C 0.916 177.545 176.600 0.048 0.000 0.958 327 E CA -0.914 55.506 56.400 0.033 0.000 0.821 327 E CB 1.541 31.243 29.700 0.004 0.000 1.269 327 E HN 0.352 nan 8.360 nan 0.000 0.413 328 L N 0.835 122.054 121.223 -0.007 0.000 2.265 328 L HA -0.194 4.146 4.340 -0.000 0.000 0.215 328 L C 1.435 178.123 176.870 -0.304 0.000 1.117 328 L CA 1.499 56.259 54.840 -0.134 0.000 0.782 328 L CB -0.206 41.812 42.059 -0.068 0.000 0.914 328 L HN 0.469 nan 8.230 nan 0.000 0.441 329 D N -2.607 117.714 120.400 -0.131 0.000 2.349 329 D HA -0.072 4.568 4.640 -0.000 0.000 0.214 329 D C 1.530 177.843 176.300 0.022 0.000 1.063 329 D CA 0.365 54.319 54.000 -0.077 0.000 0.847 329 D CB -0.264 40.537 40.800 0.002 0.000 0.933 329 D HN 0.023 nan 8.370 nan 0.000 0.513 330 T N -0.520 114.055 114.554 0.034 0.000 2.977 330 T HA -0.017 4.333 4.350 -0.000 0.000 0.271 330 T C 0.057 174.972 174.700 0.359 0.000 1.105 330 T CA 1.213 63.382 62.100 0.114 0.000 1.116 330 T CB -0.498 68.376 68.868 0.008 0.000 0.878 330 T HN 0.527 nan 8.240 nan 0.000 0.509 331 Y N -1.954 118.436 120.300 0.150 0.000 2.725 331 Y HA 0.679 5.229 4.550 -0.000 0.000 0.333 331 Y C -0.872 175.093 175.900 0.108 0.000 1.242 331 Y CA -1.636 56.568 58.100 0.173 0.000 1.059 331 Y CB 1.181 39.739 38.460 0.163 0.000 1.306 331 Y HN -0.230 nan 8.280 nan 0.000 0.454 332 T N 2.430 117.043 114.554 0.098 0.000 2.909 332 T HA 0.793 5.143 4.350 -0.000 0.000 0.299 332 T C -1.121 173.743 174.700 0.273 0.000 1.073 332 T CA -0.641 61.460 62.100 0.002 0.000 0.999 332 T CB 0.901 69.686 68.868 -0.138 0.000 1.098 332 T HN 1.009 nan 8.240 nan 0.000 0.477 333 M N 3.340 123.076 119.600 0.226 0.000 2.622 333 M HA 0.750 5.230 4.480 -0.000 0.000 0.276 333 M C -1.851 174.536 176.300 0.145 0.000 1.265 333 M CA -1.074 54.388 55.300 0.269 0.000 0.850 333 M CB 2.292 35.058 32.600 0.277 0.000 1.720 333 M HN 0.586 nan 8.290 nan 0.000 0.465 334 I N 0.947 121.537 120.570 0.033 0.000 2.802 334 I HA 0.750 4.920 4.170 -0.000 0.000 0.298 334 I C -1.506 174.527 176.117 -0.140 0.000 1.176 334 I CA -0.145 61.086 61.300 -0.116 0.000 1.025 334 I CB 2.411 40.225 38.000 -0.311 0.000 1.243 334 I HN 0.984 nan 8.210 nan 0.000 0.424 335 S N 5.488 121.240 115.700 0.085 0.000 2.546 335 S HA 0.556 5.026 4.470 -0.000 0.000 0.274 335 S C -1.899 172.954 174.600 0.421 0.000 1.121 335 S CA -0.384 57.970 58.200 0.256 0.000 0.887 335 S CB 1.548 64.821 63.200 0.122 0.000 1.094 335 S HN 0.591 nan 8.310 nan 0.000 0.474 336 Y N 3.548 124.036 120.300 0.314 0.000 2.445 336 Y HA 0.492 5.042 4.550 -0.000 0.000 0.332 336 Y C 0.894 176.821 175.900 0.044 0.000 1.037 336 Y CA 0.324 58.507 58.100 0.139 0.000 1.296 336 Y CB 0.573 39.027 38.460 -0.010 0.000 1.099 336 Y HN 1.298 nan 8.280 nan 0.000 0.496 337 G N 4.207 113.127 108.800 0.200 0.000 2.660 337 G HA2 -0.472 3.488 3.960 -0.000 0.000 0.321 337 G HA3 -0.472 3.488 3.960 -0.000 0.000 0.321 337 G C 1.067 175.872 174.900 -0.158 0.000 1.246 337 G CA 0.953 46.141 45.100 0.147 0.000 1.000 337 G HN 0.767 nan 8.290 nan 0.000 0.550 338 D N 1.158 121.356 120.400 -0.337 0.000 2.178 338 D HA -0.031 4.609 4.640 -0.000 0.000 0.202 338 D C 0.718 176.838 176.300 -0.301 0.000 0.974 338 D CA 1.148 54.618 54.000 -0.885 0.000 0.841 338 D CB -0.441 40.028 40.800 -0.552 0.000 0.953 338 D HN 0.356 nan 8.370 nan 0.000 0.478 339 D N 0.548 120.936 120.400 -0.020 0.000 2.458 339 D HA 0.277 4.917 4.640 -0.000 0.000 0.243 339 D C -0.198 176.352 176.300 0.416 0.000 1.146 339 D CA 0.022 54.129 54.000 0.178 0.000 0.877 339 D CB 0.689 41.525 40.800 0.060 0.000 1.176 339 D HN 0.296 nan 8.370 nan 0.000 0.461 340 I N 2.302 123.082 120.570 0.349 0.000 2.722 340 I HA 0.288 4.458 4.170 -0.000 0.000 0.292 340 I C -1.728 174.327 176.117 -0.104 0.000 1.267 340 I CA -0.669 60.708 61.300 0.128 0.000 1.036 340 I CB 1.800 39.878 38.000 0.130 0.000 1.281 340 I HN 0.037 nan 8.210 nan 0.000 0.423 341 V N 7.273 126.928 119.914 -0.432 0.000 2.459 341 V HA 0.596 4.716 4.120 -0.000 0.000 0.295 341 V C -0.307 175.587 176.094 -0.333 0.000 1.029 341 V CA -0.511 61.471 62.300 -0.530 0.000 0.874 341 V CB 1.738 32.933 31.823 -1.047 0.000 0.985 341 V HN 0.504 nan 8.190 nan 0.000 0.438 342 V N 2.935 122.772 119.914 -0.129 0.000 2.769 342 V HA 0.998 5.118 4.120 -0.000 0.000 0.312 342 V C 0.100 176.372 176.094 0.297 0.000 1.061 342 V CA -0.459 61.948 62.300 0.178 0.000 0.931 342 V CB 1.726 33.704 31.823 0.259 0.000 1.010 342 V HN 1.097 nan 8.190 nan 0.000 0.433 343 A N 2.163 125.220 122.820 0.395 0.000 2.587 343 A HA 0.984 5.304 4.320 -0.000 0.000 0.293 343 A C -0.682 177.098 177.584 0.326 0.000 1.087 343 A CA -0.325 51.881 52.037 0.281 0.000 0.692 343 A CB 2.194 21.233 19.000 0.064 0.000 1.291 343 A HN 1.234 nan 8.150 nan 0.000 0.407 344 S N -0.846 115.110 115.700 0.428 0.000 2.586 344 S HA 0.406 4.876 4.470 -0.000 0.000 0.277 344 S C -1.013 173.891 174.600 0.507 0.000 1.131 344 S CA -0.248 58.301 58.200 0.582 0.000 0.848 344 S CB 1.187 64.814 63.200 0.712 0.000 1.091 344 S HN 0.593 nan 8.310 nan 0.000 0.453 345 D N 0.747 121.397 120.400 0.416 0.000 2.305 345 D HA 0.115 4.755 4.640 -0.000 0.000 0.206 345 D C 0.011 176.327 176.300 0.027 0.000 0.974 345 D CA 0.829 54.900 54.000 0.120 0.000 0.871 345 D CB -0.013 40.743 40.800 -0.072 0.000 0.947 345 D HN 0.518 nan 8.370 nan 0.000 0.516 346 Y N 1.532 121.946 120.300 0.190 0.000 2.578 346 Y HA 0.002 4.552 4.550 -0.000 0.000 0.339 346 Y C 0.932 176.959 175.900 0.212 0.000 1.231 346 Y CA 0.051 58.230 58.100 0.131 0.000 1.461 346 Y CB 0.457 38.953 38.460 0.060 0.000 1.323 346 Y HN -0.267 nan 8.280 nan 0.000 0.590 347 D N 3.159 123.727 120.400 0.279 0.000 2.845 347 D HA 0.172 4.812 4.640 -0.000 0.000 0.235 347 D C -0.345 176.154 176.300 0.331 0.000 1.158 347 D CA 0.083 54.261 54.000 0.296 0.000 0.990 347 D CB -0.490 40.422 40.800 0.187 0.000 1.094 347 D HN 0.327 nan 8.370 nan 0.000 0.486 348 L N 0.417 121.884 121.223 0.408 0.000 2.483 348 L HA 0.081 4.421 4.340 -0.000 0.000 0.276 348 L C 0.854 177.843 176.870 0.198 0.000 1.213 348 L CA 0.236 55.180 54.840 0.172 0.000 0.843 348 L CB 0.413 42.378 42.059 -0.157 0.000 1.107 348 L HN 0.016 nan 8.230 nan 0.000 0.487 349 D N 1.206 121.667 120.400 0.103 0.000 2.477 349 D HA 0.193 4.833 4.640 -0.000 0.000 0.239 349 D C 0.421 176.598 176.300 -0.205 0.000 1.102 349 D CA -0.342 53.700 54.000 0.071 0.000 0.901 349 D CB 0.610 41.494 40.800 0.139 0.000 1.026 349 D HN 0.264 nan 8.370 nan 0.000 0.515 350 F N 1.438 121.191 119.950 -0.329 0.000 2.325 350 F HA -0.030 4.497 4.527 -0.000 0.000 0.299 350 F C 2.201 177.793 175.800 -0.347 0.000 1.090 350 F CA 0.532 58.146 58.000 -0.642 0.000 1.392 350 F CB 0.206 38.348 39.000 -1.430 0.000 1.053 350 F HN 0.350 nan 8.300 nan 0.000 0.521 351 E N 0.683 120.985 120.200 0.170 0.000 2.038 351 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 351 E C 2.279 178.888 176.600 0.014 0.000 1.000 351 E CA 1.474 58.026 56.400 0.253 0.000 0.803 351 E CB -0.502 29.335 29.700 0.229 0.000 0.750 351 E HN 0.226 nan 8.360 nan 0.000 0.448 352 A N 0.199 122.946 122.820 -0.122 0.000 2.070 352 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 352 A C 2.181 179.470 177.584 -0.492 0.000 1.159 352 A CA 1.164 53.004 52.037 -0.327 0.000 0.656 352 A CB -0.590 18.129 19.000 -0.468 0.000 0.800 352 A HN 0.322 nan 8.150 nan 0.000 0.453 353 L N -0.954 120.044 121.223 -0.376 0.000 2.240 353 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 353 L C 2.272 179.125 176.870 -0.029 0.000 1.106 353 L CA 1.026 55.726 54.840 -0.234 0.000 0.793 353 L CB -0.543 41.405 42.059 -0.185 0.000 0.927 353 L HN 0.386 nan 8.230 nan 0.000 0.446 354 K N 0.558 120.960 120.400 0.002 0.000 2.049 354 K HA -0.231 4.089 4.320 -0.000 0.000 0.219 354 K C -0.448 176.164 176.600 0.020 0.000 1.056 354 K CA 2.046 58.374 56.287 0.069 0.000 0.946 354 K CB -1.564 30.969 32.500 0.054 0.000 0.723 354 K HN 0.334 nan 8.250 nan 0.000 0.453 355 P HA -0.133 nan 4.420 nan 0.000 0.222 355 P C 0.671 177.876 177.300 -0.159 0.000 1.147 355 P CA 1.523 64.513 63.100 -0.184 0.000 0.790 355 P CB -0.083 31.448 31.700 -0.282 0.000 0.780 356 H N -1.699 117.358 119.070 -0.021 0.000 2.333 356 H HA 0.019 4.575 4.556 -0.000 0.000 0.302 356 H C 1.801 177.126 175.328 -0.004 0.000 1.075 356 H CA 0.821 56.820 56.048 -0.081 0.000 1.348 356 H CB -0.777 28.826 29.762 -0.264 0.000 1.393 356 H HN 0.018 nan 8.280 nan 0.000 0.509 357 F N 1.416 121.444 119.950 0.130 0.000 2.154 357 F HA -0.203 4.324 4.527 -0.000 0.000 0.301 357 F C 2.369 178.185 175.800 0.027 0.000 1.087 357 F CA 1.033 59.085 58.000 0.087 0.000 1.274 357 F CB -0.039 38.998 39.000 0.061 0.000 1.009 357 F HN -0.004 nan 8.300 nan 0.000 0.485 358 K N 0.480 120.996 120.400 0.192 0.000 2.209 358 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 358 K C 2.198 178.830 176.600 0.053 0.000 1.048 358 K CA 1.382 57.726 56.287 0.094 0.000 0.940 358 K CB -0.566 31.964 32.500 0.050 0.000 0.729 358 K HN 0.365 nan 8.250 nan 0.000 0.451 359 S N 0.422 116.170 115.700 0.079 0.000 2.447 359 S HA -0.084 4.386 4.470 -0.000 0.000 0.233 359 S C 1.694 176.273 174.600 -0.034 0.000 1.006 359 S CA 0.670 58.910 58.200 0.066 0.000 0.957 359 S CB -0.345 62.965 63.200 0.183 0.000 0.773 359 S HN 0.239 nan 8.310 nan 0.000 0.507 360 L N 1.032 122.190 121.223 -0.109 0.000 2.653 360 L HA 0.470 4.810 4.340 -0.000 0.000 0.231 360 L C 1.610 178.361 176.870 -0.199 0.000 1.153 360 L CA 0.160 54.828 54.840 -0.287 0.000 0.933 360 L CB -0.616 41.089 42.059 -0.591 0.000 1.175 360 L HN 0.450 nan 8.230 nan 0.000 0.473 361 G N -0.495 108.253 108.800 -0.087 0.000 2.153 361 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.252 361 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.252 361 G C 0.186 175.082 174.900 -0.006 0.000 0.994 361 G CA -0.071 45.001 45.100 -0.046 0.000 0.698 361 G HN 0.359 nan 8.290 nan 0.000 0.521 362 Q N 0.207 120.034 119.800 0.044 0.000 2.282 362 Q HA 0.572 4.912 4.340 -0.000 0.000 0.260 362 Q C -0.454 175.655 176.000 0.181 0.000 0.964 362 Q CA -0.119 55.788 55.803 0.174 0.000 0.880 362 Q CB 1.831 30.776 28.738 0.345 0.000 1.286 362 Q HN 0.194 nan 8.270 nan 0.000 0.445 363 T N 3.385 118.030 114.554 0.152 0.000 2.821 363 T HA 0.488 4.838 4.350 -0.000 0.000 0.307 363 T C 0.472 175.156 174.700 -0.025 0.000 1.034 363 T CA -0.502 61.637 62.100 0.065 0.000 0.953 363 T CB -0.117 68.782 68.868 0.053 0.000 0.968 363 T HN 0.460 nan 8.240 nan 0.000 0.462 364 I N 1.658 122.132 120.570 -0.160 0.000 2.396 364 I HA 0.789 4.959 4.170 -0.000 0.000 0.292 364 I C 0.186 176.311 176.117 0.013 0.000 0.999 364 I CA -0.512 60.614 61.300 -0.289 0.000 1.310 364 I CB 1.241 38.839 38.000 -0.670 0.000 1.404 364 I HN 0.512 nan 8.210 nan 0.000 0.496 365 T N 2.448 117.012 114.554 0.016 0.000 2.883 365 T HA 0.657 5.007 4.350 -0.000 0.000 0.296 365 T C -2.985 171.597 174.700 -0.195 0.000 1.117 365 T CA -2.045 59.988 62.100 -0.112 0.000 1.006 365 T CB 1.759 70.552 68.868 -0.124 0.000 1.191 365 T HN 0.425 nan 8.240 nan 0.000 0.508 366 P HA 0.425 nan 4.420 nan 0.000 0.278 366 P C 0.689 177.903 177.300 -0.143 0.000 1.238 366 P CA -0.554 62.289 63.100 -0.429 0.000 0.794 366 P CB 0.586 31.875 31.700 -0.685 0.000 0.955 367 A N 2.686 125.491 122.820 -0.026 0.000 1.908 367 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 367 A C 0.582 178.149 177.584 -0.029 0.000 1.181 367 A CA 1.687 53.714 52.037 -0.016 0.000 0.627 367 A CB -1.596 17.408 19.000 0.007 0.000 0.818 367 A HN 0.693 nan 8.150 nan 0.000 0.445 368 D N -0.517 119.867 120.400 -0.027 0.000 2.359 368 D HA 0.226 4.866 4.640 -0.000 0.000 0.250 368 D C 0.654 176.925 176.300 -0.048 0.000 1.264 368 D CA -0.464 53.523 54.000 -0.022 0.000 0.911 368 D CB 0.616 41.414 40.800 -0.003 0.000 1.056 368 D HN -0.019 nan 8.370 nan 0.000 0.499 369 K N 1.290 121.662 120.400 -0.048 0.000 2.144 369 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 369 K C 0.848 177.415 176.600 -0.054 0.000 1.047 369 K CA 0.583 56.834 56.287 -0.060 0.000 0.927 369 K CB -0.869 31.607 32.500 -0.041 0.000 0.716 369 K HN 0.552 nan 8.250 nan 0.000 0.454 370 S N 1.597 117.280 115.700 -0.028 0.000 2.558 370 S HA -0.146 4.324 4.470 -0.000 0.000 0.297 370 S C 0.174 174.764 174.600 -0.016 0.000 1.283 370 S CA 0.179 58.372 58.200 -0.012 0.000 1.044 370 S CB 0.063 63.268 63.200 0.009 0.000 0.789 370 S HN 0.347 nan 8.310 nan 0.000 0.500 371 D N 1.745 122.140 120.400 -0.007 0.000 2.903 371 D HA -0.203 4.437 4.640 -0.000 0.000 0.228 371 D C -0.150 176.139 176.300 -0.019 0.000 1.178 371 D CA 1.805 55.803 54.000 -0.003 0.000 0.740 371 D CB -1.157 39.652 40.800 0.016 0.000 1.077 371 D HN 0.840 nan 8.370 nan 0.000 0.419 372 K N -1.442 118.929 120.400 -0.049 0.000 6.536 372 K HA 0.026 4.346 4.320 -0.000 0.000 0.703 372 K C 0.510 177.061 176.600 -0.082 0.000 1.892 372 K CA 0.715 56.961 56.287 -0.069 0.000 1.651 372 K CB -1.193 31.284 32.500 -0.038 0.000 1.852 372 K HN 0.668 nan 8.250 nan 0.000 0.324 373 G N 1.593 110.285 108.800 -0.179 0.000 2.712 373 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.686 373 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.686 373 G C -0.432 174.368 174.900 -0.166 0.000 1.321 373 G CA -0.711 44.270 45.100 -0.199 0.000 0.813 373 G HN 0.356 nan 8.290 nan 0.000 0.599 374 F N -0.107 119.901 119.950 0.096 0.000 2.459 374 F HA 0.499 5.026 4.527 -0.000 0.000 0.346 374 F C 1.435 177.333 175.800 0.162 0.000 1.128 374 F CA 0.586 58.684 58.000 0.163 0.000 1.268 374 F CB 1.186 40.323 39.000 0.227 0.000 1.161 374 F HN 0.673 nan 8.300 nan 0.000 0.583 375 V N 0.870 120.971 119.914 0.312 0.000 3.141 375 V HA 0.733 4.853 4.120 -0.000 0.000 0.312 375 V C -0.815 175.313 176.094 0.056 0.000 1.157 375 V CA -1.258 61.116 62.300 0.124 0.000 1.041 375 V CB 1.799 33.594 31.823 -0.046 0.000 1.071 375 V HN 0.619 nan 8.190 nan 0.000 0.441 376 L N 1.046 122.259 121.223 -0.016 0.000 2.358 376 L HA 0.857 5.197 4.340 -0.000 0.000 0.268 376 L C 1.383 178.118 176.870 -0.225 0.000 1.032 376 L CA 0.527 55.327 54.840 -0.065 0.000 0.805 376 L CB 1.456 43.551 42.059 0.060 0.000 1.253 376 L HN 1.279 nan 8.230 nan 0.000 0.452 377 G N -1.051 107.617 108.800 -0.220 0.000 2.176 377 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.253 377 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.253 377 G C 0.235 175.061 174.900 -0.123 0.000 0.979 377 G CA -0.388 44.618 45.100 -0.157 0.000 0.641 377 G HN 0.560 nan 8.290 nan 0.000 0.530 378 H N 1.300 120.265 119.070 -0.175 0.000 2.690 378 H HA 0.561 5.117 4.556 -0.000 0.000 0.365 378 H C 1.095 176.326 175.328 -0.162 0.000 1.142 378 H CA 0.640 56.599 56.048 -0.149 0.000 1.417 378 H CB 1.313 30.979 29.762 -0.160 0.000 1.446 378 H HN 0.576 nan 8.280 nan 0.000 0.599 379 S N 1.053 116.783 115.700 0.049 0.000 2.766 379 S HA 0.238 4.708 4.470 -0.000 0.000 0.307 379 S C 1.260 175.828 174.600 -0.053 0.000 1.121 379 S CA -0.804 57.392 58.200 -0.006 0.000 0.980 379 S CB 1.341 64.564 63.200 0.038 0.000 1.159 379 S HN 0.451 nan 8.310 nan 0.000 0.546 380 I N 1.552 122.069 120.570 -0.088 0.000 2.361 380 I HA -0.114 4.056 4.170 -0.000 0.000 0.251 380 I C 2.309 178.390 176.117 -0.060 0.000 1.133 380 I CA 2.151 63.307 61.300 -0.239 0.000 1.413 380 I CB -0.804 36.956 38.000 -0.401 0.000 1.073 380 I HN 0.950 nan 8.210 nan 0.000 0.424 381 T N -2.905 111.720 114.554 0.119 0.000 3.163 381 T HA -0.029 4.321 4.350 -0.000 0.000 0.260 381 T C 1.280 176.127 174.700 0.244 0.000 1.156 381 T CA 0.894 63.170 62.100 0.294 0.000 1.072 381 T CB -0.466 68.582 68.868 0.300 0.000 0.937 381 T HN 0.307 nan 8.240 nan 0.000 0.528 382 D N 1.259 121.724 120.400 0.109 0.000 2.355 382 D HA 0.141 4.781 4.640 -0.000 0.000 0.206 382 D C 1.191 177.514 176.300 0.038 0.000 1.010 382 D CA 0.274 54.288 54.000 0.024 0.000 0.875 382 D CB 0.486 41.173 40.800 -0.188 0.000 0.966 382 D HN 0.542 nan 8.370 nan 0.000 0.512 383 V N -1.190 118.761 119.914 0.062 0.000 3.096 383 V HA 0.681 4.801 4.120 -0.000 0.000 0.319 383 V C 0.183 176.345 176.094 0.113 0.000 1.082 383 V CA -0.494 61.829 62.300 0.039 0.000 1.022 383 V CB 1.684 33.476 31.823 -0.052 0.000 1.103 383 V HN -0.183 nan 8.190 nan 0.000 0.455 384 T N 2.706 117.280 114.554 0.033 0.000 2.856 384 T HA 0.717 5.067 4.350 -0.000 0.000 0.283 384 T C -1.266 173.565 174.700 0.218 0.000 1.008 384 T CA 0.055 62.150 62.100 -0.009 0.000 0.997 384 T CB 1.226 69.984 68.868 -0.183 0.000 0.992 384 T HN 0.722 nan 8.240 nan 0.000 0.454 385 F N 3.127 123.126 119.950 0.082 0.000 2.581 385 F HA 0.472 4.999 4.527 -0.000 0.000 0.311 385 F C -0.214 175.693 175.800 0.179 0.000 1.113 385 F CA -1.817 56.266 58.000 0.139 0.000 0.935 385 F CB 0.913 40.034 39.000 0.202 0.000 1.232 385 F HN 0.536 nan 8.300 nan 0.000 0.445 386 L N 6.255 127.241 121.223 -0.396 0.000 3.742 386 L HA -0.369 3.971 4.340 -0.000 0.000 0.431 386 L C 0.802 177.537 176.870 -0.224 0.000 1.220 386 L CA 0.831 55.441 54.840 -0.383 0.000 0.863 386 L CB -1.438 40.354 42.059 -0.445 0.000 1.751 386 L HN 0.830 nan 8.230 nan 0.000 0.922 387 K N -2.389 117.917 120.400 -0.156 0.000 3.193 387 K HA -0.209 4.111 4.320 -0.000 0.000 0.294 387 K C 0.416 176.920 176.600 -0.159 0.000 1.185 387 K CA 1.579 57.780 56.287 -0.143 0.000 0.866 387 K CB -0.788 31.629 32.500 -0.139 0.000 1.227 387 K HN 0.599 nan 8.250 nan 0.000 0.467 388 R N 0.081 120.502 120.500 -0.132 0.000 2.562 388 R HA 0.387 4.727 4.340 -0.000 0.000 0.298 388 R C -0.285 175.978 176.300 -0.062 0.000 0.961 388 R CA -0.797 55.224 56.100 -0.133 0.000 0.881 388 R CB 1.088 31.184 30.300 -0.340 0.000 1.159 388 R HN 0.130 nan 8.270 nan 0.000 0.450 389 H N 0.809 119.859 119.070 -0.034 0.000 2.508 389 H HA 0.254 4.810 4.556 -0.000 0.000 0.358 389 H C -0.631 174.757 175.328 0.099 0.000 1.212 389 H CA -0.022 56.036 56.048 0.017 0.000 1.356 389 H CB 0.616 30.245 29.762 -0.223 0.000 1.525 389 H HN 0.371 nan 8.280 nan 0.000 0.578 390 F N 1.098 121.305 119.950 0.428 0.000 2.313 390 F HA 0.269 4.796 4.527 -0.000 0.000 0.369 390 F C 0.399 176.551 175.800 0.588 0.000 1.109 390 F CA -0.212 58.080 58.000 0.485 0.000 1.132 390 F CB 0.216 39.313 39.000 0.160 0.000 1.291 390 F HN 0.435 nan 8.300 nan 0.000 0.496 391 H N 2.333 121.744 119.070 0.568 0.000 2.616 391 H HA 0.473 5.029 4.556 -0.000 0.000 0.353 391 H C -0.242 175.302 175.328 0.361 0.000 1.170 391 H CA -1.445 54.838 56.048 0.391 0.000 1.212 391 H CB 1.794 31.692 29.762 0.227 0.000 1.653 391 H HN 0.292 nan 8.280 nan 0.000 0.537 392 M N 2.040 121.843 119.600 0.338 0.000 2.146 392 M HA 0.030 4.510 4.480 -0.000 0.000 0.357 392 M C -0.543 175.902 176.300 0.242 0.000 1.261 392 M CA -0.445 54.947 55.300 0.154 0.000 1.106 392 M CB 0.647 33.270 32.600 0.039 0.000 1.612 392 M HN 0.609 nan 8.290 nan 0.000 0.470 393 D N 2.298 122.868 120.400 0.284 0.000 2.346 393 D HA -0.030 4.610 4.640 -0.000 0.000 0.260 393 D C 0.737 177.229 176.300 0.320 0.000 1.252 393 D CA 0.253 54.469 54.000 0.361 0.000 0.895 393 D CB 0.362 41.502 40.800 0.566 0.000 1.097 393 D HN 0.390 nan 8.370 nan 0.000 0.489 394 Y N 2.547 122.923 120.300 0.127 0.000 2.332 394 Y HA -0.148 4.402 4.550 -0.000 0.000 0.283 394 Y C 2.176 178.119 175.900 0.072 0.000 1.186 394 Y CA 2.003 60.145 58.100 0.070 0.000 1.266 394 Y CB 0.153 38.642 38.460 0.047 0.000 0.973 394 Y HN 0.596 nan 8.280 nan 0.000 0.548 395 G N -3.563 105.406 108.800 0.281 0.000 2.801 395 G HA2 0.003 3.963 3.960 -0.000 0.000 0.213 395 G HA3 0.003 3.963 3.960 -0.000 0.000 0.213 395 G C 1.247 176.235 174.900 0.147 0.000 1.052 395 G CA 0.591 45.822 45.100 0.218 0.000 0.868 395 G HN 0.375 nan 8.290 nan 0.000 0.589 396 T N -3.826 110.804 114.554 0.127 0.000 2.971 396 T HA 0.391 4.741 4.350 -0.000 0.000 0.252 396 T C 1.992 176.372 174.700 -0.533 0.000 1.022 396 T CA 1.045 63.040 62.100 -0.176 0.000 0.980 396 T CB 0.557 69.376 68.868 -0.082 0.000 1.044 396 T HN 1.266 nan 8.240 nan 0.000 0.501 397 G N 1.316 109.975 108.800 -0.235 0.000 2.234 397 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 397 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 397 G C -0.101 174.701 174.900 -0.163 0.000 0.987 397 G CA 0.115 45.071 45.100 -0.240 0.000 0.625 397 G HN 0.529 nan 8.290 nan 0.000 0.532 398 F N 0.518 120.546 119.950 0.130 0.000 2.410 398 F HA 0.645 5.172 4.527 -0.000 0.000 0.334 398 F C 1.079 177.019 175.800 0.233 0.000 1.134 398 F CA -1.481 56.624 58.000 0.174 0.000 1.227 398 F CB 0.075 39.213 39.000 0.230 0.000 1.194 398 F HN 0.067 nan 8.300 nan 0.000 0.571 399 Y N 1.220 121.873 120.300 0.588 0.000 2.411 399 Y HA 0.269 4.819 4.550 -0.000 0.000 0.333 399 Y C 0.450 176.692 175.900 0.570 0.000 1.186 399 Y CA -0.230 58.200 58.100 0.550 0.000 1.381 399 Y CB 0.460 39.257 38.460 0.562 0.000 1.273 399 Y HN 0.400 nan 8.280 nan 0.000 0.546 400 K N 3.538 124.267 120.400 0.549 0.000 2.375 400 K HA 0.539 4.859 4.320 -0.000 0.000 0.249 400 K C -3.303 173.241 176.600 -0.094 0.000 0.942 400 K CA -2.353 53.962 56.287 0.046 0.000 0.806 400 K CB 2.407 34.655 32.500 -0.420 0.000 1.227 400 K HN 0.183 nan 8.250 nan 0.000 0.430 401 P HA 0.064 nan 4.420 nan 0.000 0.279 401 P C -0.588 176.437 177.300 -0.460 0.000 1.318 401 P CA -0.370 62.133 63.100 -0.995 0.000 0.819 401 P CB 0.806 31.617 31.700 -1.482 0.000 0.927 402 V N 5.888 125.670 119.914 -0.220 0.000 2.347 402 V HA 0.315 4.435 4.120 -0.000 0.000 0.280 402 V C 0.840 176.920 176.094 -0.024 0.000 1.021 402 V CA -0.495 61.740 62.300 -0.109 0.000 0.847 402 V CB 1.194 32.915 31.823 -0.170 0.000 0.990 402 V HN 0.497 nan 8.190 nan 0.000 0.444 403 M N 3.597 123.178 119.600 -0.032 0.000 2.249 403 M HA 0.546 5.026 4.480 -0.000 0.000 0.351 403 M C 0.627 176.939 176.300 0.021 0.000 1.180 403 M CA -0.232 55.061 55.300 -0.012 0.000 1.127 403 M CB 1.383 33.939 32.600 -0.074 0.000 1.546 403 M HN 0.736 nan 8.290 nan 0.000 0.461 404 A N 2.064 124.925 122.820 0.069 0.000 2.498 404 A HA 0.124 4.444 4.320 -0.000 0.000 0.239 404 A C 1.069 178.626 177.584 -0.044 0.000 1.068 404 A CA -0.121 51.944 52.037 0.047 0.000 0.766 404 A CB 0.183 19.245 19.000 0.104 0.000 1.003 404 A HN 0.966 nan 8.150 nan 0.000 0.497 405 S N 1.112 116.771 115.700 -0.068 0.000 2.383 405 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 405 S C 2.040 176.530 174.600 -0.183 0.000 1.030 405 S CA 1.404 59.522 58.200 -0.138 0.000 1.002 405 S CB -0.166 62.954 63.200 -0.134 0.000 0.829 405 S HN 0.691 nan 8.310 nan 0.000 0.467 406 K N 1.104 121.438 120.400 -0.110 0.000 2.057 406 K HA -0.005 4.315 4.320 -0.000 0.000 0.207 406 K C 2.279 178.784 176.600 -0.158 0.000 1.049 406 K CA 1.263 57.497 56.287 -0.088 0.000 0.931 406 K CB -1.261 31.264 32.500 0.041 0.000 0.714 406 K HN 0.352 nan 8.250 nan 0.000 0.440 407 T N 2.503 116.964 114.554 -0.155 0.000 2.622 407 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 407 T C 2.071 176.609 174.700 -0.270 0.000 1.047 407 T CA 1.339 63.289 62.100 -0.249 0.000 1.159 407 T CB -0.370 68.408 68.868 -0.150 0.000 0.863 407 T HN 0.108 nan 8.240 nan 0.000 0.422 408 L N 0.639 121.729 121.223 -0.223 0.000 2.043 408 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 408 L C 2.776 179.474 176.870 -0.287 0.000 1.075 408 L CA 1.571 56.267 54.840 -0.239 0.000 0.752 408 L CB -0.604 41.313 42.059 -0.237 0.000 0.891 408 L HN 0.381 nan 8.230 nan 0.000 0.432 409 E N -0.187 119.791 120.200 -0.369 0.000 2.047 409 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 409 E C 2.346 178.854 176.600 -0.152 0.000 0.987 409 E CA 1.027 57.159 56.400 -0.446 0.000 0.799 409 E CB -0.181 29.131 29.700 -0.645 0.000 0.752 409 E HN 0.502 nan 8.360 nan 0.000 0.449 410 A N 1.395 124.091 122.820 -0.207 0.000 1.892 410 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 410 A C 2.201 179.771 177.584 -0.023 0.000 1.188 410 A CA 1.429 53.359 52.037 -0.179 0.000 0.631 410 A CB -0.766 17.715 19.000 -0.864 0.000 0.822 410 A HN 0.159 nan 8.150 nan 0.000 0.447 411 I N -0.453 120.045 120.570 -0.121 0.000 2.226 411 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 411 I C 2.144 178.277 176.117 0.027 0.000 1.100 411 I CA 1.168 62.441 61.300 -0.044 0.000 1.374 411 I CB -0.260 37.675 38.000 -0.109 0.000 1.057 411 I HN 0.270 nan 8.210 nan 0.000 0.413 412 L N -0.393 120.835 121.223 0.008 0.000 2.465 412 L HA -0.093 4.247 4.340 -0.000 0.000 0.224 412 L C 2.234 179.216 176.870 0.186 0.000 1.145 412 L CA 0.557 55.454 54.840 0.096 0.000 0.834 412 L CB -0.355 41.781 42.059 0.129 0.000 0.944 412 L HN 0.130 nan 8.230 nan 0.000 0.451 413 S N -0.918 114.832 115.700 0.083 0.000 2.527 413 S HA 0.163 4.633 4.470 -0.000 0.000 0.222 413 S C 0.069 174.375 174.600 -0.490 0.000 0.985 413 S CA 0.418 58.506 58.200 -0.186 0.000 0.921 413 S CB 0.046 63.042 63.200 -0.341 0.000 0.772 413 S HN 0.133 nan 8.310 nan 0.000 0.529 414 F N -0.018 120.002 119.950 0.116 0.000 2.601 414 F HA 0.747 5.274 4.527 -0.000 0.000 0.309 414 F C -0.088 175.734 175.800 0.038 0.000 1.089 414 F CA -0.969 57.077 58.000 0.076 0.000 0.940 414 F CB 1.739 40.777 39.000 0.064 0.000 1.273 414 F HN -0.087 nan 8.300 nan 0.000 0.450 415 A N 1.739 124.688 122.820 0.215 0.000 2.601 415 A HA 0.809 5.129 4.320 -0.000 0.000 0.291 415 A C -1.414 176.221 177.584 0.085 0.000 1.075 415 A CA -1.068 51.033 52.037 0.107 0.000 0.671 415 A CB 1.519 20.541 19.000 0.036 0.000 1.277 415 A HN 0.775 nan 8.150 nan 0.000 0.417 416 R N 0.570 121.099 120.500 0.048 0.000 2.390 416 R HA 0.402 4.742 4.340 -0.000 0.000 0.291 416 R C 0.424 176.745 176.300 0.035 0.000 1.070 416 R CA -0.506 55.617 56.100 0.038 0.000 1.014 416 R CB 0.691 31.003 30.300 0.021 0.000 1.007 416 R HN 0.709 nan 8.270 nan 0.000 0.466 417 R N 1.182 121.707 120.500 0.041 0.000 2.478 417 R HA -0.156 4.184 4.340 -0.000 0.000 0.281 417 R C 0.759 177.082 176.300 0.040 0.000 0.939 417 R CA 1.771 57.898 56.100 0.045 0.000 1.120 417 R CB 0.010 30.334 30.300 0.041 0.000 0.885 417 R HN 0.961 nan 8.270 nan 0.000 0.415 418 G N 2.229 111.062 108.800 0.054 0.000 2.166 418 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.260 418 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.260 418 G C 0.567 175.488 174.900 0.035 0.000 0.986 418 G CA 0.947 46.079 45.100 0.054 0.000 0.683 418 G HN 0.759 nan 8.290 nan 0.000 0.527 419 T N -2.650 111.912 114.554 0.014 0.000 3.040 419 T HA 0.428 4.778 4.350 -0.000 0.000 0.266 419 T C 2.253 176.908 174.700 -0.076 0.000 1.005 419 T CA 0.636 62.724 62.100 -0.019 0.000 0.906 419 T CB -0.013 68.843 68.868 -0.020 0.000 1.082 419 T HN 0.327 nan 8.240 nan 0.000 0.531 420 I N 1.300 121.798 120.570 -0.119 0.000 2.151 420 I HA -0.233 3.937 4.170 -0.000 0.000 0.243 420 I C 2.836 178.702 176.117 -0.418 0.000 1.080 420 I CA 1.669 62.771 61.300 -0.330 0.000 1.339 420 I CB -0.589 37.083 38.000 -0.547 0.000 1.039 420 I HN 0.279 nan 8.210 nan 0.000 0.409 421 Q N 1.490 121.133 119.800 -0.263 0.000 2.030 421 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 421 Q C 1.978 177.907 176.000 -0.120 0.000 0.986 421 Q CA 2.010 57.739 55.803 -0.124 0.000 0.843 421 Q CB -0.254 28.543 28.738 0.099 0.000 0.904 421 Q HN 0.490 nan 8.270 nan 0.000 0.420 422 E N -0.089 120.064 120.200 -0.080 0.000 2.038 422 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 422 E C 1.935 178.479 176.600 -0.092 0.000 1.000 422 E CA 1.557 57.917 56.400 -0.067 0.000 0.803 422 E CB -0.215 29.458 29.700 -0.045 0.000 0.750 422 E HN 0.338 nan 8.360 nan 0.000 0.448 423 K N 0.977 121.309 120.400 -0.114 0.000 2.097 423 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 423 K C 2.063 178.585 176.600 -0.131 0.000 1.049 423 K CA 0.980 57.200 56.287 -0.112 0.000 0.933 423 K CB -0.088 32.345 32.500 -0.112 0.000 0.717 423 K HN 0.062 nan 8.250 nan 0.000 0.442 424 L N 0.790 121.887 121.223 -0.211 0.000 1.989 424 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 424 L C 2.461 179.250 176.870 -0.134 0.000 1.071 424 L CA 1.413 56.126 54.840 -0.211 0.000 0.749 424 L CB -0.443 41.385 42.059 -0.385 0.000 0.890 424 L HN 0.233 nan 8.230 nan 0.000 0.431 425 I N -1.007 119.480 120.570 -0.138 0.000 2.286 425 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 425 I C 2.664 178.744 176.117 -0.061 0.000 1.115 425 I CA 1.050 62.286 61.300 -0.107 0.000 1.392 425 I CB -0.286 37.666 38.000 -0.081 0.000 1.065 425 I HN 0.167 nan 8.210 nan 0.000 0.418 426 S N 0.261 115.929 115.700 -0.053 0.000 2.355 426 S HA -0.113 4.357 4.470 -0.000 0.000 0.222 426 S C 2.057 176.649 174.600 -0.013 0.000 1.031 426 S CA 1.172 59.349 58.200 -0.037 0.000 0.993 426 S CB -0.113 63.060 63.200 -0.045 0.000 0.859 426 S HN 0.213 nan 8.310 nan 0.000 0.453 427 V N 1.938 121.857 119.914 0.008 0.000 2.667 427 V HA -0.098 4.022 4.120 -0.000 0.000 0.252 427 V C 2.500 178.688 176.094 0.157 0.000 1.065 427 V CA 1.270 63.597 62.300 0.046 0.000 1.083 427 V CB -1.155 30.681 31.823 0.022 0.000 0.692 427 V HN 0.501 nan 8.190 nan 0.000 0.468 428 A N 1.034 123.976 122.820 0.203 0.000 1.892 428 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 428 A C 2.453 180.137 177.584 0.168 0.000 1.188 428 A CA 2.149 54.342 52.037 0.259 0.000 0.631 428 A CB -1.339 17.665 19.000 0.007 0.000 0.822 428 A HN 0.531 nan 8.150 nan 0.000 0.447 429 G N -0.536 108.282 108.800 0.031 0.000 2.462 429 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.220 429 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.220 429 G C 1.481 176.328 174.900 -0.088 0.000 1.121 429 G CA 1.094 46.162 45.100 -0.053 0.000 0.758 429 G HN 0.469 nan 8.290 nan 0.000 0.559 430 L N 0.006 121.216 121.223 -0.023 0.000 2.131 430 L HA 0.126 4.466 4.340 -0.000 0.000 0.206 430 L C 3.217 180.084 176.870 -0.005 0.000 1.087 430 L CA 0.880 55.703 54.840 -0.029 0.000 0.767 430 L CB -0.263 41.771 42.059 -0.041 0.000 0.917 430 L HN 0.285 nan 8.230 nan 0.000 0.441 431 A N -0.536 122.337 122.820 0.089 0.000 2.021 431 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 431 A C 2.325 180.054 177.584 0.242 0.000 1.163 431 A CA 0.916 53.059 52.037 0.177 0.000 0.676 431 A CB -0.578 18.573 19.000 0.251 0.000 0.818 431 A HN 0.161 nan 8.150 nan 0.000 0.453 432 V N 0.457 120.423 119.914 0.085 0.000 2.317 432 V HA -0.378 3.742 4.120 -0.000 0.000 0.251 432 V C 2.127 178.158 176.094 -0.104 0.000 1.065 432 V CA 2.942 65.148 62.300 -0.157 0.000 1.049 432 V CB -0.988 30.526 31.823 -0.515 0.000 0.651 432 V HN 0.807 nan 8.190 nan 0.000 0.450 433 H N -0.464 118.565 119.070 -0.068 0.000 2.518 433 H HA -0.064 4.492 4.556 -0.000 0.000 0.292 433 H C 2.365 177.694 175.328 0.000 0.000 1.068 433 H CA 1.156 57.130 56.048 -0.125 0.000 1.275 433 H CB -0.077 29.528 29.762 -0.263 0.000 1.375 433 H HN 0.451 nan 8.280 nan 0.000 0.563 434 S N -0.123 115.659 115.700 0.137 0.000 2.561 434 S HA 0.159 4.629 4.470 -0.000 0.000 0.225 434 S C 0.945 175.591 174.600 0.076 0.000 0.977 434 S CA 0.452 58.713 58.200 0.102 0.000 0.926 434 S CB -0.007 63.236 63.200 0.072 0.000 0.769 434 S HN 0.816 nan 8.310 nan 0.000 0.533 435 G N 1.373 110.239 108.800 0.109 0.000 2.699 435 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.686 435 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.686 435 G C -2.580 172.168 174.900 -0.254 0.000 1.301 435 G CA -0.682 44.381 45.100 -0.062 0.000 0.816 435 G HN 0.069 nan 8.290 nan 0.000 0.595 436 P HA 0.004 nan 4.420 nan 0.000 0.217 436 P C 1.228 178.377 177.300 -0.251 0.000 1.150 436 P CA 1.736 64.324 63.100 -0.853 0.000 0.832 436 P CB 0.105 31.274 31.700 -0.884 0.000 0.787 437 D N -0.395 119.898 120.400 -0.179 0.000 2.120 437 D HA -0.135 4.505 4.640 -0.000 0.000 0.202 437 D C 1.923 178.216 176.300 -0.011 0.000 0.972 437 D CA 1.018 54.973 54.000 -0.076 0.000 0.837 437 D CB -0.463 40.285 40.800 -0.085 0.000 0.989 437 D HN 0.125 nan 8.370 nan 0.000 0.469 438 E N 0.417 120.608 120.200 -0.016 0.000 2.110 438 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 438 E C 1.958 178.600 176.600 0.070 0.000 0.988 438 E CA 0.741 57.144 56.400 0.005 0.000 0.804 438 E CB -0.430 29.262 29.700 -0.013 0.000 0.745 438 E HN 0.356 nan 8.360 nan 0.000 0.458 439 Y N 0.555 120.869 120.300 0.023 0.000 2.181 439 Y HA -0.174 4.376 4.550 -0.000 0.000 0.288 439 Y C 2.439 178.480 175.900 0.235 0.000 1.146 439 Y CA 2.185 60.387 58.100 0.170 0.000 1.164 439 Y CB -0.104 38.509 38.460 0.255 0.000 0.982 439 Y HN -0.051 nan 8.280 nan 0.000 0.515 440 R N 0.089 120.744 120.500 0.258 0.000 2.091 440 R HA -0.206 4.134 4.340 -0.000 0.000 0.238 440 R C 2.594 178.969 176.300 0.125 0.000 1.136 440 R CA 1.828 58.038 56.100 0.182 0.000 0.959 440 R CB -0.279 30.092 30.300 0.118 0.000 0.856 440 R HN 0.314 nan 8.270 nan 0.000 0.437 441 R N 0.235 120.782 120.500 0.079 0.000 2.062 441 R HA -0.062 4.278 4.340 -0.000 0.000 0.229 441 R C 2.332 178.696 176.300 0.107 0.000 1.128 441 R CA 1.303 57.448 56.100 0.074 0.000 0.960 441 R CB -0.260 30.061 30.300 0.035 0.000 0.855 441 R HN 0.233 nan 8.270 nan 0.000 0.432 442 L N -0.317 120.893 121.223 -0.022 0.000 2.127 442 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 442 L C 1.754 178.588 176.870 -0.060 0.000 1.089 442 L CA 1.404 56.165 54.840 -0.130 0.000 0.757 442 L CB -0.217 41.545 42.059 -0.495 0.000 0.899 442 L HN 0.210 nan 8.230 nan 0.000 0.434 443 F N -1.268 118.737 119.950 0.092 0.000 2.749 443 F HA 0.003 4.530 4.527 -0.000 0.000 0.300 443 F C 2.210 178.133 175.800 0.205 0.000 1.103 443 F CA -0.176 57.922 58.000 0.162 0.000 1.342 443 F CB 0.130 39.056 39.000 -0.122 0.000 1.098 443 F HN -0.062 nan 8.300 nan 0.000 0.586 444 E N 1.576 121.920 120.200 0.240 0.000 2.114 444 E HA -0.196 4.154 4.350 -0.000 0.000 0.199 444 E C -0.743 175.872 176.600 0.025 0.000 1.008 444 E CA 1.578 58.051 56.400 0.122 0.000 0.810 444 E CB -1.375 28.366 29.700 0.068 0.000 0.739 444 E HN 0.188 nan 8.360 nan 0.000 0.456 445 P HA -0.027 nan 4.420 nan 0.000 0.237 445 P C 0.355 177.411 177.300 -0.406 0.000 1.178 445 P CA 0.825 63.698 63.100 -0.379 0.000 0.766 445 P CB -0.071 31.197 31.700 -0.721 0.000 0.876 446 F N -1.648 118.363 119.950 0.101 0.000 2.721 446 F HA 0.151 4.678 4.527 -0.000 0.000 0.301 446 F C 1.206 177.104 175.800 0.162 0.000 1.096 446 F CA -0.256 57.863 58.000 0.199 0.000 1.308 446 F CB -0.307 38.858 39.000 0.273 0.000 1.086 446 F HN -0.271 nan 8.300 nan 0.000 0.587 447 Q N 1.195 121.136 119.800 0.236 0.000 2.262 447 Q HA 0.154 4.494 4.340 -0.000 0.000 0.298 447 Q C 1.337 177.390 176.000 0.088 0.000 1.083 447 Q CA 1.284 57.174 55.803 0.145 0.000 0.962 447 Q CB 0.281 29.077 28.738 0.096 0.000 1.104 447 Q HN 0.649 nan 8.270 nan 0.000 0.376 448 G N 2.330 111.171 108.800 0.069 0.000 2.194 448 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.236 448 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.236 448 G C 0.534 175.410 174.900 -0.040 0.000 0.987 448 G CA 0.323 45.430 45.100 0.012 0.000 0.635 448 G HN 0.539 nan 8.290 nan 0.000 0.520 449 L N -1.801 119.396 121.223 -0.043 0.000 2.685 449 L HA 0.583 4.923 4.340 -0.000 0.000 0.235 449 L C 0.451 176.961 176.870 -0.599 0.000 1.070 449 L CA 0.103 54.766 54.840 -0.295 0.000 0.888 449 L CB 0.359 42.259 42.059 -0.264 0.000 1.203 449 L HN 0.110 nan 8.230 nan 0.000 0.499 450 F N -0.635 119.369 119.950 0.091 0.000 2.629 450 F HA 0.318 4.845 4.527 -0.000 0.000 0.316 450 F C 0.122 175.932 175.800 0.018 0.000 1.081 450 F CA -1.166 56.866 58.000 0.054 0.000 0.954 450 F CB 1.428 40.464 39.000 0.061 0.000 1.337 450 F HN -0.248 nan 8.300 nan 0.000 0.474 451 E N 2.401 122.712 120.200 0.186 0.000 2.257 451 E HA 0.282 4.632 4.350 -0.000 0.000 0.278 451 E C -1.183 175.416 176.600 -0.003 0.000 1.049 451 E CA -0.278 56.163 56.400 0.069 0.000 0.876 451 E CB 0.432 30.157 29.700 0.042 0.000 1.035 451 E HN 0.332 nan 8.360 nan 0.000 0.419 452 I N 6.964 127.510 120.570 -0.040 0.000 2.330 452 I HA 0.279 4.449 4.170 -0.000 0.000 0.289 452 I C -2.014 174.034 176.117 -0.114 0.000 1.001 452 I CA -2.831 58.359 61.300 -0.184 0.000 1.193 452 I CB 0.469 38.356 38.000 -0.189 0.000 1.345 452 I HN 0.521 nan 8.210 nan 0.000 0.461 453 P HA 0.095 nan 4.420 nan 0.000 0.268 453 P C 0.003 177.336 177.300 0.055 0.000 1.205 453 P CA -0.129 62.949 63.100 -0.037 0.000 0.771 453 P CB 0.367 32.036 31.700 -0.051 0.000 0.858 454 S N 1.929 117.654 115.700 0.041 0.000 2.572 454 S HA -0.014 4.456 4.470 -0.000 0.000 0.279 454 S C 0.992 175.571 174.600 -0.036 0.000 1.341 454 S CA -0.359 57.886 58.200 0.075 0.000 1.043 454 S CB 0.099 63.328 63.200 0.048 0.000 0.887 454 S HN 0.496 nan 8.310 nan 0.000 0.516 455 Y N 3.133 123.307 120.300 -0.210 0.000 2.081 455 Y HA -0.259 4.291 4.550 -0.000 0.000 0.280 455 Y C 2.686 178.451 175.900 -0.226 0.000 1.163 455 Y CA 2.435 60.216 58.100 -0.531 0.000 1.135 455 Y CB -0.505 37.712 38.460 -0.405 0.000 0.970 455 Y HN 0.834 nan 8.280 nan 0.000 0.498 456 R N 0.912 121.386 120.500 -0.043 0.000 2.094 456 R HA -0.210 4.130 4.340 -0.000 0.000 0.239 456 R C 2.600 178.867 176.300 -0.055 0.000 1.137 456 R CA 2.447 58.542 56.100 -0.009 0.000 0.943 456 R CB -1.160 29.185 30.300 0.075 0.000 0.850 456 R HN 0.535 nan 8.270 nan 0.000 0.433 457 S N 0.045 115.710 115.700 -0.058 0.000 2.374 457 S HA -0.167 4.303 4.470 -0.000 0.000 0.227 457 S C 2.059 176.605 174.600 -0.091 0.000 1.037 457 S CA 1.642 59.810 58.200 -0.053 0.000 1.024 457 S CB -0.571 62.606 63.200 -0.039 0.000 0.861 457 S HN 0.426 nan 8.310 nan 0.000 0.456 458 L N -1.019 120.095 121.223 -0.181 0.000 2.240 458 L HA 0.090 4.430 4.340 -0.000 0.000 0.211 458 L C 2.593 179.352 176.870 -0.185 0.000 1.106 458 L CA 1.160 55.881 54.840 -0.199 0.000 0.793 458 L CB -0.583 41.312 42.059 -0.274 0.000 0.927 458 L HN 0.296 nan 8.230 nan 0.000 0.446 459 Y N 0.945 120.992 120.300 -0.422 0.000 2.145 459 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 459 Y C 2.343 178.261 175.900 0.030 0.000 1.145 459 Y CA 1.520 59.471 58.100 -0.248 0.000 1.148 459 Y CB -0.141 38.067 38.460 -0.419 0.000 0.981 459 Y HN -0.012 nan 8.280 nan 0.000 0.507 460 L N -0.342 120.878 121.223 -0.004 0.000 2.083 460 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 460 L C 2.747 179.574 176.870 -0.070 0.000 1.083 460 L CA 1.425 56.243 54.840 -0.037 0.000 0.752 460 L CB -0.493 41.576 42.059 0.017 0.000 0.899 460 L HN 0.165 nan 8.230 nan 0.000 0.433 461 R N -0.518 119.955 120.500 -0.045 0.000 2.073 461 R HA -0.250 4.090 4.340 -0.000 0.000 0.234 461 R C 2.249 178.538 176.300 -0.018 0.000 1.134 461 R CA 2.170 58.250 56.100 -0.032 0.000 0.952 461 R CB -0.458 29.829 30.300 -0.021 0.000 0.850 461 R HN 0.393 nan 8.270 nan 0.000 0.433 462 W N 0.903 122.091 121.300 -0.187 0.000 2.332 462 W HA -0.230 4.430 4.660 -0.000 0.000 0.321 462 W C 1.808 178.234 176.519 -0.153 0.000 1.219 462 W CA 1.674 58.931 57.345 -0.146 0.000 1.277 462 W CB -0.781 28.605 29.460 -0.124 0.000 1.161 462 W HN -0.134 nan 8.180 nan 0.000 0.476 463 V N 1.717 121.331 119.914 -0.501 0.000 2.250 463 V HA -0.459 3.661 4.120 -0.000 0.000 0.253 463 V C 2.251 178.098 176.094 -0.412 0.000 1.065 463 V CA 2.629 64.561 62.300 -0.614 0.000 1.039 463 V CB -1.682 29.921 31.823 -0.365 0.000 0.647 463 V HN 0.452 nan 8.190 nan 0.000 0.446 464 N N 0.338 118.887 118.700 -0.252 0.000 2.205 464 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 464 N C 1.585 176.971 175.510 -0.207 0.000 1.015 464 N CA 1.683 54.626 53.050 -0.179 0.000 0.862 464 N CB -0.283 38.138 38.487 -0.110 0.000 0.986 464 N HN 0.496 nan 8.380 nan 0.000 0.429 465 A N -0.439 122.229 122.820 -0.252 0.000 1.930 465 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 465 A C 2.306 179.715 177.584 -0.292 0.000 1.176 465 A CA 1.307 53.218 52.037 -0.210 0.000 0.632 465 A CB -0.774 18.152 19.000 -0.124 0.000 0.819 465 A HN 0.235 nan 8.150 nan 0.000 0.445 466 V N -0.778 118.830 119.914 -0.510 0.000 2.788 466 V HA 0.010 4.130 4.120 -0.000 0.000 0.251 466 V C 0.755 176.529 176.094 -0.533 0.000 1.068 466 V CA 1.520 63.477 62.300 -0.571 0.000 1.090 466 V CB -0.007 31.270 31.823 -0.909 0.000 0.710 466 V HN 1.090 nan 8.190 nan 0.000 0.467 467 C N -1.544 117.512 119.300 -0.408 0.000 3.175 467 C HA 0.551 5.011 4.460 -0.000 0.000 0.352 467 C C 1.639 176.545 174.990 -0.140 0.000 0.938 467 C CA -0.733 58.130 59.018 -0.259 0.000 1.236 467 C CB -0.395 27.222 27.740 -0.206 0.000 1.623 467 C HN 0.451 nan 8.230 nan 0.000 0.597 468 G N 1.952 110.679 108.800 -0.123 0.000 2.562 468 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.223 468 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.223 468 G C 0.983 175.855 174.900 -0.046 0.000 1.102 468 G CA 1.953 47.004 45.100 -0.081 0.000 0.742 468 G HN 0.801 nan 8.290 nan 0.000 0.587 469 D N 0.758 121.140 120.400 -0.029 0.000 2.162 469 D HA 0.069 4.709 4.640 -0.000 0.000 0.203 469 D C 2.668 178.978 176.300 0.016 0.000 0.967 469 D CA 1.023 55.022 54.000 -0.002 0.000 0.840 469 D CB -0.471 40.335 40.800 0.010 0.000 0.972 469 D HN 0.358 nan 8.370 nan 0.000 0.482 470 A N 0.817 123.660 122.820 0.038 0.000 2.119 470 A HA 0.234 4.554 4.320 -0.000 0.000 0.216 470 A C 2.167 179.759 177.584 0.012 0.000 1.152 470 A CA 1.266 53.333 52.037 0.050 0.000 0.708 470 A CB -0.253 18.825 19.000 0.130 0.000 0.805 470 A HN 0.203 nan 8.150 nan 0.000 0.460 471 A N 0.363 123.173 122.820 -0.017 0.000 1.832 471 A HA 0.244 4.564 4.320 -0.000 0.000 0.214 471 A C 2.516 180.097 177.584 -0.005 0.000 1.204 471 A CA 1.853 53.877 52.037 -0.022 0.000 0.606 471 A CB -1.330 17.643 19.000 -0.045 0.000 0.849 471 A HN 0.992 nan 8.150 nan 0.000 0.445 472 A N -0.172 122.643 122.820 -0.008 0.000 1.852 472 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 472 A C 1.564 179.150 177.584 0.004 0.000 1.215 472 A CA 1.907 53.941 52.037 -0.004 0.000 0.641 472 A CB -0.873 18.124 19.000 -0.006 0.000 0.838 472 A HN 0.612 nan 8.150 nan 0.000 0.450 473 L N -0.264 120.963 121.223 0.006 0.000 2.984 473 L HA 0.300 4.639 4.340 -0.000 0.000 0.246 473 L C -0.037 176.839 176.870 0.011 0.000 1.268 473 L CA -0.300 54.545 54.840 0.008 0.000 1.054 473 L CB 0.041 42.104 42.059 0.007 0.000 1.393 473 L HN 0.237 nan 8.230 nan 0.000 0.532 474 E N 0.000 120.208 120.200 0.014 0.000 2.725 474 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 474 E CA 0.000 56.411 56.400 0.019 0.000 0.976 474 E CB 0.000 29.715 29.700 0.024 0.000 0.812 474 E HN 0.000 nan 8.360 nan 0.000 0.440