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 2f8e_1_X 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 3.956 3.960 -0.006 0.000 0.244 1 G C 0.000 174.969 174.900 0.116 0.000 0.946 1 G CA 0.000 45.206 45.100 0.176 0.000 0.502 2 L N 0.806 122.045 121.223 0.026 0.000 2.272 2 L HA 0.701 5.037 4.340 -0.006 0.000 0.289 2 L C -0.392 176.435 176.870 -0.071 0.000 1.032 2 L CA -0.714 54.120 54.840 -0.009 0.000 0.810 2 L CB 0.886 42.939 42.059 -0.010 0.000 1.205 2 L HN 0.376 nan 8.230 nan 0.000 0.422 3 I N 6.011 126.527 120.570 -0.090 0.000 2.421 3 I HA 0.093 4.259 4.170 -0.006 0.000 0.291 3 I C 1.222 177.289 176.117 -0.082 0.000 1.089 3 I CA -0.093 61.129 61.300 -0.129 0.000 1.354 3 I CB 0.791 38.711 38.000 -0.134 0.000 1.413 3 I HN 0.584 nan 8.210 nan 0.000 0.513 4 V N 0.778 120.643 119.914 -0.082 0.000 2.878 4 V HA 0.211 4.327 4.120 -0.006 0.000 0.250 4 V C 0.332 176.388 176.094 -0.062 0.000 1.075 4 V CA 0.845 63.108 62.300 -0.062 0.000 1.096 4 V CB -0.329 31.460 31.823 -0.058 0.000 0.724 4 V HN 0.786 nan 8.190 nan 0.000 0.467 5 D N -0.913 119.441 120.400 -0.076 0.000 2.937 5 D HA 0.446 5.082 4.640 -0.006 0.000 0.215 5 D C -1.056 175.192 176.300 -0.088 0.000 1.274 5 D CA -0.071 53.886 54.000 -0.072 0.000 0.869 5 D CB 2.141 42.902 40.800 -0.065 0.000 1.675 5 D HN 0.154 nan 8.370 nan 0.000 0.538 6 T N 3.129 117.636 114.554 -0.080 0.000 2.749 6 T HA 0.593 4.939 4.350 -0.006 0.000 0.287 6 T C -0.286 174.373 174.700 -0.069 0.000 0.970 6 T CA -0.544 61.502 62.100 -0.090 0.000 0.980 6 T CB 0.947 69.764 68.868 -0.084 0.000 0.924 6 T HN 0.332 nan 8.240 nan 0.000 0.456 7 R N 2.385 122.843 120.500 -0.070 0.000 2.564 7 R HA 0.427 4.763 4.340 -0.006 0.000 0.284 7 R C -1.841 174.431 176.300 -0.047 0.000 1.031 7 R CA -0.673 55.395 56.100 -0.054 0.000 0.904 7 R CB 1.079 31.346 30.300 -0.056 0.000 1.199 7 R HN 0.493 nan 8.270 nan 0.000 0.443 8 D N 4.314 124.693 120.400 -0.035 0.000 2.427 8 D HA 0.178 4.814 4.640 -0.006 0.000 0.226 8 D C 0.128 176.411 176.300 -0.029 0.000 1.076 8 D CA -0.464 53.520 54.000 -0.028 0.000 0.849 8 D CB 2.296 43.085 40.800 -0.018 0.000 1.052 8 D HN 0.233 nan 8.370 nan 0.000 0.515 9 V N 2.274 122.168 119.914 -0.033 0.000 3.050 9 V HA 0.138 4.254 4.120 -0.006 0.000 0.223 9 V C 0.884 176.959 176.094 -0.031 0.000 1.162 9 V CA 1.044 63.324 62.300 -0.034 0.000 1.247 9 V CB 1.018 32.816 31.823 -0.041 0.000 1.125 9 V HN 0.467 nan 8.190 nan 0.000 0.508 10 E N -0.405 119.774 120.200 -0.035 0.000 3.863 10 E HA 0.247 4.593 4.350 -0.006 0.000 0.197 10 E C 0.758 177.337 176.600 -0.035 0.000 1.299 10 E CA 0.137 56.517 56.400 -0.033 0.000 1.522 10 E CB 0.227 29.906 29.700 -0.035 0.000 1.732 10 E HN 0.647 nan 8.360 nan 0.000 0.560 11 E N 0.241 120.414 120.200 -0.044 0.000 2.385 11 E HA 0.424 4.770 4.350 -0.006 0.000 0.254 11 E C -0.385 176.177 176.600 -0.063 0.000 1.228 11 E CA -0.514 55.854 56.400 -0.053 0.000 0.956 11 E CB 0.943 30.604 29.700 -0.064 0.000 1.116 11 E HN -0.049 nan 8.360 nan 0.000 0.507 12 R N 0.874 121.323 120.500 -0.084 0.000 2.625 12 R HA 0.214 4.550 4.340 -0.006 0.000 0.286 12 R C -1.690 174.497 176.300 -0.187 0.000 1.406 12 R CA -0.287 55.751 56.100 -0.103 0.000 1.052 12 R CB 0.892 31.154 30.300 -0.064 0.000 1.203 12 R HN 0.259 nan 8.270 nan 0.000 0.502 13 V N 5.693 125.478 119.914 -0.214 0.000 2.377 13 V HA 0.018 4.134 4.120 -0.006 0.000 0.254 13 V C 0.054 175.950 176.094 -0.330 0.000 1.060 13 V CA -0.482 61.624 62.300 -0.323 0.000 1.068 13 V CB -0.675 31.034 31.823 -0.191 0.000 1.113 13 V HN 0.668 nan 8.190 nan 0.000 0.484 14 H N 3.163 122.160 119.070 -0.123 0.000 3.138 14 H HA 0.268 4.820 4.556 -0.006 0.000 0.275 14 H C 0.580 175.783 175.328 -0.209 0.000 0.997 14 H CA -0.207 55.751 56.048 -0.150 0.000 1.460 14 H CB 0.157 29.860 29.762 -0.099 0.000 1.524 14 H HN 0.378 nan 8.280 nan 0.000 0.532 15 V N 1.027 120.853 119.914 -0.146 0.000 3.548 15 V HA 0.131 4.247 4.120 -0.006 0.000 0.279 15 V C 0.949 176.943 176.094 -0.167 0.000 1.446 15 V CA -0.126 62.028 62.300 -0.244 0.000 1.023 15 V CB -0.565 31.078 31.823 -0.300 0.000 0.820 15 V HN 0.751 nan 8.190 nan 0.000 0.438 16 M N 2.826 122.355 119.600 -0.120 0.000 2.248 16 M HA 0.541 5.017 4.480 -0.006 0.000 0.345 16 M C 0.030 176.298 176.300 -0.053 0.000 1.243 16 M CA 0.394 55.653 55.300 -0.068 0.000 1.090 16 M CB 0.156 32.723 32.600 -0.055 0.000 1.683 16 M HN 0.591 nan 8.290 nan 0.000 0.450 17 R N 1.481 121.961 120.500 -0.034 0.000 2.728 17 R HA 0.643 4.979 4.340 -0.006 0.000 0.274 17 R C -1.891 174.403 176.300 -0.010 0.000 1.030 17 R CA -1.276 54.809 56.100 -0.025 0.000 0.876 17 R CB 1.091 31.378 30.300 -0.022 0.000 1.259 17 R HN 0.602 nan 8.270 nan 0.000 0.468 18 K N 0.540 120.937 120.400 -0.005 0.000 2.110 18 K HA 0.278 4.595 4.320 -0.006 0.000 0.263 18 K C -0.492 176.112 176.600 0.008 0.000 0.975 18 K CA -0.419 55.868 56.287 0.001 0.000 0.895 18 K CB 1.875 34.375 32.500 0.001 0.000 1.060 18 K HN 0.566 nan 8.250 nan 0.000 0.448 19 T N 1.336 115.893 114.554 0.005 0.000 2.916 19 T HA 0.047 4.393 4.350 -0.006 0.000 0.303 19 T C 0.607 175.318 174.700 0.019 0.000 1.025 19 T CA -0.125 61.980 62.100 0.007 0.000 1.142 19 T CB 0.266 69.124 68.868 -0.015 0.000 0.947 19 T HN 0.603 nan 8.240 nan 0.000 0.544 20 K N 4.356 124.772 120.400 0.027 0.000 2.387 20 K HA 0.222 4.538 4.320 -0.006 0.000 0.198 20 K C 0.260 176.888 176.600 0.046 0.000 1.022 20 K CA -0.168 56.139 56.287 0.034 0.000 1.128 20 K CB 0.059 32.580 32.500 0.034 0.000 0.853 20 K HN 0.462 nan 8.250 nan 0.000 0.523 21 L N 2.546 123.798 121.223 0.049 0.000 2.315 21 L HA 0.249 4.586 4.340 -0.006 0.000 0.283 21 L C 0.024 176.984 176.870 0.150 0.000 1.089 21 L CA -0.571 54.323 54.840 0.091 0.000 0.833 21 L CB 0.990 43.083 42.059 0.057 0.000 1.170 21 L HN 0.154 nan 8.230 nan 0.000 0.442 22 A N 6.189 129.102 122.820 0.155 0.000 2.324 22 A HA 0.800 5.116 4.320 -0.006 0.000 0.330 22 A C -2.496 175.151 177.584 0.104 0.000 1.165 22 A CA -1.797 50.318 52.037 0.130 0.000 0.813 22 A CB 0.844 19.884 19.000 0.068 0.000 1.197 22 A HN 0.393 nan 8.150 nan 0.000 0.484 23 P HA 0.218 nan 4.420 nan 0.000 0.268 23 P C 0.315 177.501 177.300 -0.191 0.000 1.205 23 P CA 0.238 63.109 63.100 -0.382 0.000 0.771 23 P CB 0.782 32.192 31.700 -0.484 0.000 0.858 24 T N -1.626 112.813 114.554 -0.191 0.000 2.893 24 T HA 0.198 4.544 4.350 -0.006 0.000 0.279 24 T C 1.044 175.688 174.700 -0.094 0.000 0.991 24 T CA -0.589 61.482 62.100 -0.049 0.000 0.950 24 T CB 0.420 69.335 68.868 0.078 0.000 1.223 24 T HN 0.090 nan 8.240 nan 0.000 0.585 25 V N 0.702 120.529 119.914 -0.145 0.000 2.759 25 V HA 0.035 4.151 4.120 -0.006 0.000 0.256 25 V C 2.648 178.512 176.094 -0.383 0.000 1.080 25 V CA 2.204 64.348 62.300 -0.260 0.000 1.101 25 V CB -1.386 30.260 31.823 -0.295 0.000 0.698 25 V HN 1.007 nan 8.190 nan 0.000 0.477 26 A N -1.003 121.573 122.820 -0.407 0.000 1.929 26 A HA -0.240 4.076 4.320 -0.006 0.000 0.216 26 A C 2.209 179.724 177.584 -0.116 0.000 1.176 26 A CA 1.596 53.471 52.037 -0.270 0.000 0.628 26 A CB -0.967 18.118 19.000 0.143 0.000 0.816 26 A HN 0.779 nan 8.150 nan 0.000 0.444 27 H N 0.031 118.997 119.070 -0.174 0.000 2.352 27 H HA -0.148 4.404 4.556 -0.007 0.000 0.299 27 H C 2.167 177.409 175.328 -0.143 0.000 1.097 27 H CA 1.863 57.803 56.048 -0.180 0.000 1.311 27 H CB -0.360 29.175 29.762 -0.378 0.000 1.377 27 H HN 0.413 nan 8.280 nan 0.000 0.504 28 G N -0.107 108.593 108.800 -0.165 0.000 2.443 28 G HA2 -0.125 3.831 3.960 -0.006 0.000 0.219 28 G HA3 -0.125 3.831 3.960 -0.006 0.000 0.219 28 G C 1.802 176.546 174.900 -0.260 0.000 1.131 28 G CA 0.876 45.862 45.100 -0.189 0.000 0.775 28 G HN 0.371 nan 8.290 nan 0.000 0.547 29 V N -0.283 119.407 119.914 -0.373 0.000 2.426 29 V HA 0.123 4.239 4.120 -0.006 0.000 0.242 29 V C 2.250 178.077 176.094 -0.445 0.000 1.036 29 V CA 0.934 62.939 62.300 -0.492 0.000 1.044 29 V CB -0.509 30.850 31.823 -0.774 0.000 0.688 29 V HN 0.254 nan 8.190 nan 0.000 0.462 30 F N 0.015 119.868 119.950 -0.162 0.000 2.317 30 F HA 0.231 4.754 4.527 -0.007 0.000 0.293 30 F C 1.191 176.908 175.800 -0.139 0.000 1.085 30 F CA -0.176 57.748 58.000 -0.127 0.000 1.390 30 F CB -1.100 37.838 39.000 -0.103 0.000 1.077 30 F HN 0.160 nan 8.300 nan 0.000 0.517 31 N N 0.797 119.437 118.700 -0.100 0.000 2.642 31 N HA -0.148 4.588 4.740 -0.006 0.000 0.269 31 N C -2.675 172.838 175.510 0.005 0.000 1.073 31 N CA -0.108 52.819 53.050 -0.205 0.000 0.748 31 N CB -0.905 37.485 38.487 -0.163 0.000 0.894 31 N HN 0.129 nan 8.380 nan 0.000 0.548 32 P HA 0.076 nan 4.420 nan 0.000 0.274 32 P C -0.183 177.282 177.300 0.274 0.000 1.237 32 P CA 0.002 63.276 63.100 0.289 0.000 0.793 32 P CB 0.705 32.662 31.700 0.429 0.000 0.977 33 E N 1.013 121.324 120.200 0.184 0.000 2.528 33 E HA 0.181 4.527 4.350 -0.006 0.000 0.237 33 E C -0.614 175.742 176.600 -0.406 0.000 1.408 33 E CA 0.238 56.565 56.400 -0.121 0.000 1.571 33 E CB -0.861 28.688 29.700 -0.252 0.000 1.395 33 E HN 0.378 nan 8.360 nan 0.000 0.438 34 F N -0.858 119.161 119.950 0.115 0.000 2.588 34 F HA 0.651 5.174 4.527 -0.006 0.000 0.310 34 F C 0.754 176.601 175.800 0.078 0.000 1.082 34 F CA -0.891 57.159 58.000 0.083 0.000 0.929 34 F CB 2.410 41.469 39.000 0.098 0.000 1.254 34 F HN -0.087 nan 8.300 nan 0.000 0.455 35 G N 1.159 109.974 108.800 0.024 0.000 2.623 35 G HA2 0.641 4.597 3.960 -0.006 0.000 0.290 35 G HA3 0.641 4.597 3.960 -0.006 0.000 0.290 35 G C -3.452 171.199 174.900 -0.415 0.000 1.437 35 G CA -1.685 43.192 45.100 -0.373 0.000 0.798 35 G HN 0.214 nan 8.290 nan 0.000 0.488 36 P HA 0.392 nan 4.420 nan 0.000 0.269 36 P C 0.195 177.399 177.300 -0.160 0.000 1.209 36 P CA 0.055 62.966 63.100 -0.316 0.000 0.776 36 P CB 0.868 32.401 31.700 -0.278 0.000 0.876 37 A N 2.716 125.477 122.820 -0.099 0.000 2.445 37 A HA 0.446 4.762 4.320 -0.006 0.000 0.242 37 A C 0.469 178.025 177.584 -0.046 0.000 1.075 37 A CA -0.060 51.942 52.037 -0.059 0.000 0.777 37 A CB -0.420 18.559 19.000 -0.034 0.000 1.013 37 A HN 0.576 nan 8.150 nan 0.000 0.493 38 A N 1.961 124.758 122.820 -0.037 0.000 2.438 38 A HA 0.474 4.790 4.320 -0.006 0.000 0.280 38 A C 0.490 178.067 177.584 -0.011 0.000 1.160 38 A CA -0.177 51.845 52.037 -0.025 0.000 0.821 38 A CB -0.495 18.491 19.000 -0.023 0.000 1.101 38 A HN 0.856 nan 8.150 nan 0.000 0.515 39 L N 2.145 123.365 121.223 -0.005 0.000 2.769 39 L HA 0.258 4.594 4.340 -0.006 0.000 0.240 39 L C 0.734 177.611 176.870 0.010 0.000 1.163 39 L CA 0.229 55.073 54.840 0.007 0.000 0.962 39 L CB 0.179 42.242 42.059 0.006 0.000 1.258 39 L HN 0.610 nan 8.230 nan 0.000 0.513 40 S N 0.122 115.828 115.700 0.010 0.000 2.572 40 S HA 0.228 4.694 4.470 -0.006 0.000 0.274 40 S C 0.570 175.182 174.600 0.019 0.000 1.150 40 S CA -0.788 57.420 58.200 0.014 0.000 0.944 40 S CB 0.956 64.158 63.200 0.004 0.000 1.071 40 S HN 0.326 nan 8.310 nan 0.000 0.479 41 N N 3.168 121.888 118.700 0.032 0.000 2.609 41 N HA -0.099 4.637 4.740 -0.006 0.000 0.190 41 N C 0.487 176.009 175.510 0.020 0.000 1.157 41 N CA 0.338 53.408 53.050 0.033 0.000 0.918 41 N CB -0.295 38.225 38.487 0.054 0.000 0.978 41 N HN 0.633 nan 8.380 nan 0.000 0.448 42 K N -0.218 120.190 120.400 0.014 0.000 2.514 42 K HA 0.220 4.537 4.320 -0.006 0.000 0.207 42 K C -0.198 176.405 176.600 0.005 0.000 1.035 42 K CA -0.609 55.684 56.287 0.009 0.000 1.113 42 K CB 0.467 32.972 32.500 0.009 0.000 0.846 42 K HN -0.151 nan 8.250 nan 0.000 0.491 43 D N 2.758 123.160 120.400 0.004 0.000 2.417 43 D HA 0.025 4.661 4.640 -0.006 0.000 0.250 43 D C -1.202 175.099 176.300 0.000 0.000 1.166 43 D CA -1.502 52.498 54.000 0.000 0.000 0.881 43 D CB 1.332 42.129 40.800 -0.005 0.000 1.164 43 D HN 0.086 nan 8.370 nan 0.000 0.467 44 P HA -0.072 nan 4.420 nan 0.000 0.223 44 P C 0.756 178.058 177.300 0.002 0.000 1.151 44 P CA 0.677 63.779 63.100 0.003 0.000 0.787 44 P CB 0.311 32.014 31.700 0.006 0.000 0.788 45 R N -0.925 119.575 120.500 -0.001 0.000 2.310 45 R HA 0.219 4.556 4.340 -0.006 0.000 0.202 45 R C 0.963 177.257 176.300 -0.009 0.000 0.933 45 R CA -0.249 55.850 56.100 -0.003 0.000 1.054 45 R CB -0.329 29.969 30.300 -0.003 0.000 0.985 45 R HN 0.247 nan 8.270 nan 0.000 0.489 46 L N 1.519 122.737 121.223 -0.008 0.000 2.452 46 L HA 0.036 4.372 4.340 -0.006 0.000 0.267 46 L C 0.537 177.401 176.870 -0.010 0.000 1.188 46 L CA -0.278 54.555 54.840 -0.011 0.000 0.821 46 L CB 0.335 42.389 42.059 -0.008 0.000 1.102 46 L HN 0.082 nan 8.230 nan 0.000 0.470 47 N N 1.070 119.762 118.700 -0.013 0.000 2.444 47 N HA 0.009 4.745 4.740 -0.006 0.000 0.255 47 N C -0.564 174.942 175.510 -0.008 0.000 1.255 47 N CA -0.416 52.627 53.050 -0.012 0.000 0.933 47 N CB 0.354 38.831 38.487 -0.016 0.000 1.143 47 N HN 0.390 nan 8.380 nan 0.000 0.453 48 E N 0.395 120.591 120.200 -0.006 0.000 3.298 48 E HA 0.040 4.386 4.350 -0.006 0.000 0.224 48 E C 1.077 177.676 176.600 -0.002 0.000 1.033 48 E CA 0.836 57.233 56.400 -0.004 0.000 0.929 48 E CB -1.170 28.527 29.700 -0.004 0.000 0.920 48 E HN 0.737 nan 8.360 nan 0.000 0.564 49 G N 2.044 110.845 108.800 0.000 0.000 2.233 49 G HA2 -0.331 3.625 3.960 -0.006 0.000 0.270 49 G HA3 -0.331 3.625 3.960 -0.006 0.000 0.270 49 G C 0.325 175.227 174.900 0.004 0.000 1.011 49 G CA 0.244 45.346 45.100 0.003 0.000 0.762 49 G HN 0.449 nan 8.290 nan 0.000 0.511 50 V N 0.812 120.726 119.914 0.000 0.000 2.470 50 V HA 0.312 4.428 4.120 -0.006 0.000 0.276 50 V C 1.148 177.244 176.094 0.003 0.000 1.040 50 V CA -0.564 61.735 62.300 -0.001 0.000 1.008 50 V CB 1.480 33.298 31.823 -0.008 0.000 0.990 50 V HN 0.254 nan 8.190 nan 0.000 0.477 51 V N 6.670 126.590 119.914 0.010 0.000 2.521 51 V HA 0.045 4.161 4.120 -0.006 0.000 0.286 51 V C 1.134 177.235 176.094 0.012 0.000 1.034 51 V CA -0.080 62.233 62.300 0.021 0.000 1.045 51 V CB 1.030 32.874 31.823 0.035 0.000 0.974 51 V HN 0.816 nan 8.190 nan 0.000 0.480 52 L N 4.073 125.306 121.223 0.017 0.000 2.093 52 L HA -0.070 4.266 4.340 -0.006 0.000 0.208 52 L C 1.819 178.668 176.870 -0.036 0.000 1.085 52 L CA 1.919 56.755 54.840 -0.007 0.000 0.755 52 L CB -0.416 41.652 42.059 0.016 0.000 0.904 52 L HN 0.780 nan 8.230 nan 0.000 0.435 53 D N -0.922 119.502 120.400 0.041 0.000 2.144 53 D HA -0.229 4.407 4.640 -0.006 0.000 0.199 53 D C 2.004 178.340 176.300 0.060 0.000 0.984 53 D CA 1.239 55.278 54.000 0.065 0.000 0.834 53 D CB -0.075 40.871 40.800 0.244 0.000 0.955 53 D HN 0.430 nan 8.370 nan 0.000 0.465 54 E N 0.558 120.791 120.200 0.054 0.000 2.051 54 E HA -0.154 4.192 4.350 -0.006 0.000 0.192 54 E C 1.812 178.416 176.600 0.008 0.000 0.991 54 E CA 1.038 57.469 56.400 0.053 0.000 0.799 54 E CB -0.105 29.616 29.700 0.034 0.000 0.748 54 E HN 0.124 nan 8.360 nan 0.000 0.449 55 V N 0.517 120.401 119.914 -0.051 0.000 2.488 55 V HA -0.146 3.970 4.120 -0.006 0.000 0.246 55 V C 2.383 178.377 176.094 -0.167 0.000 1.046 55 V CA 1.440 63.690 62.300 -0.083 0.000 1.053 55 V CB -0.411 31.367 31.823 -0.077 0.000 0.679 55 V HN 0.305 nan 8.190 nan 0.000 0.458 56 I N -0.313 120.069 120.570 -0.314 0.000 2.151 56 I HA -0.265 3.901 4.170 -0.006 0.000 0.243 56 I C 1.805 177.561 176.117 -0.601 0.000 1.080 56 I CA 2.064 63.020 61.300 -0.574 0.000 1.339 56 I CB -0.231 37.196 38.000 -0.957 0.000 1.039 56 I HN 0.274 nan 8.210 nan 0.000 0.409 57 F N -0.327 119.553 119.950 -0.117 0.000 2.660 57 F HA 0.068 4.592 4.527 -0.005 0.000 0.302 57 F C 2.235 178.048 175.800 0.021 0.000 1.103 57 F CA 0.023 58.010 58.000 -0.023 0.000 1.340 57 F CB -0.288 38.698 39.000 -0.023 0.000 1.048 57 F HN 0.018 nan 8.300 nan 0.000 0.551 58 S N 0.242 115.973 115.700 0.051 0.000 2.603 58 S HA -0.089 4.377 4.470 -0.006 0.000 0.220 58 S C 1.765 176.351 174.600 -0.024 0.000 0.967 58 S CA 0.021 58.241 58.200 0.032 0.000 0.920 58 S CB -0.486 62.715 63.200 0.003 0.000 0.773 58 S HN 0.579 nan 8.310 nan 0.000 0.529 59 K N 0.681 121.010 120.400 -0.119 0.000 2.288 59 K HA -0.051 4.265 4.320 -0.006 0.000 0.201 59 K C -0.146 176.339 176.600 -0.192 0.000 1.048 59 K CA 0.785 56.959 56.287 -0.187 0.000 0.956 59 K CB -0.681 31.653 32.500 -0.277 0.000 0.746 59 K HN 0.510 nan 8.250 nan 0.000 0.461 60 H N 1.844 120.920 119.070 0.010 0.000 3.224 60 H HA 0.142 4.694 4.556 -0.006 0.000 0.265 60 H C 0.244 175.574 175.328 0.004 0.000 1.461 60 H CA -0.369 55.684 56.048 0.009 0.000 1.509 60 H CB 0.658 30.432 29.762 0.021 0.000 1.686 60 H HN 0.075 nan 8.280 nan 0.000 0.514 61 K N 2.208 122.651 120.400 0.073 0.000 2.444 61 K HA 0.183 4.499 4.320 -0.006 0.000 0.193 61 K C 0.875 177.498 176.600 0.039 0.000 1.024 61 K CA 0.490 56.802 56.287 0.042 0.000 1.077 61 K CB 0.640 33.149 32.500 0.016 0.000 0.833 61 K HN 0.864 nan 8.250 nan 0.000 0.517 62 G N 1.400 110.233 108.800 0.055 0.000 2.354 62 G HA2 -0.144 3.813 3.960 -0.006 0.000 0.582 62 G HA3 -0.144 3.813 3.960 -0.006 0.000 0.582 62 G C -2.010 172.905 174.900 0.026 0.000 1.316 62 G CA -0.890 44.229 45.100 0.033 0.000 0.995 62 G HN 0.077 nan 8.290 nan 0.000 0.573 63 D N 0.229 120.635 120.400 0.009 0.000 2.461 63 D HA 0.574 5.210 4.640 -0.006 0.000 0.240 63 D C 0.588 176.877 176.300 -0.017 0.000 1.094 63 D CA -0.087 53.912 54.000 -0.002 0.000 0.868 63 D CB 0.740 41.538 40.800 -0.002 0.000 1.062 63 D HN 0.444 nan 8.370 nan 0.000 0.530 64 T N 4.962 119.499 114.554 -0.028 0.000 2.817 64 T HA 0.105 4.451 4.350 -0.006 0.000 0.295 64 T C 0.244 174.914 174.700 -0.050 0.000 0.958 64 T CA -0.246 61.831 62.100 -0.037 0.000 1.157 64 T CB 0.384 69.224 68.868 -0.047 0.000 0.898 64 T HN 0.081 nan 8.240 nan 0.000 0.536 65 K N 4.415 124.792 120.400 -0.037 0.000 2.227 65 K HA 0.383 4.699 4.320 -0.006 0.000 0.280 65 K C 0.134 176.712 176.600 -0.037 0.000 1.041 65 K CA -0.195 56.070 56.287 -0.038 0.000 0.905 65 K CB 1.157 33.643 32.500 -0.023 0.000 1.068 65 K HN 0.605 nan 8.250 nan 0.000 0.470 66 M N 1.253 120.822 119.600 -0.051 0.000 2.314 66 M HA 0.135 4.611 4.480 -0.006 0.000 0.342 66 M C 0.776 177.073 176.300 -0.006 0.000 1.171 66 M CA -0.400 54.879 55.300 -0.035 0.000 1.098 66 M CB 1.309 33.861 32.600 -0.080 0.000 1.559 66 M HN 0.615 nan 8.290 nan 0.000 0.459 67 S N 1.569 117.281 115.700 0.019 0.000 2.600 67 S HA 0.373 4.839 4.470 -0.006 0.000 0.265 67 S C 1.108 175.730 174.600 0.036 0.000 1.325 67 S CA -0.300 57.916 58.200 0.026 0.000 1.002 67 S CB 1.044 64.263 63.200 0.031 0.000 0.921 67 S HN 0.772 nan 8.310 nan 0.000 0.554 68 A N 0.672 123.512 122.820 0.033 0.000 2.024 68 A HA -0.084 4.232 4.320 -0.006 0.000 0.220 68 A C 2.016 179.633 177.584 0.055 0.000 1.164 68 A CA 1.673 53.734 52.037 0.039 0.000 0.643 68 A CB -0.925 18.094 19.000 0.031 0.000 0.806 68 A HN 0.944 nan 8.150 nan 0.000 0.451 69 E N -0.337 119.897 120.200 0.056 0.000 2.122 69 E HA -0.097 4.250 4.350 -0.006 0.000 0.190 69 E C 1.303 177.967 176.600 0.106 0.000 0.977 69 E CA 0.841 57.280 56.400 0.065 0.000 0.820 69 E CB -0.063 29.664 29.700 0.044 0.000 0.770 69 E HN 0.503 nan 8.360 nan 0.000 0.462 70 D N 0.949 121.426 120.400 0.129 0.000 2.144 70 D HA -0.121 4.515 4.640 -0.006 0.000 0.200 70 D C 1.638 178.092 176.300 0.257 0.000 0.978 70 D CA 1.037 55.179 54.000 0.237 0.000 0.833 70 D CB 0.010 40.934 40.800 0.208 0.000 0.961 70 D HN 0.067 nan 8.370 nan 0.000 0.470 71 K N 0.711 121.195 120.400 0.140 0.000 2.057 71 K HA -0.031 4.285 4.320 -0.006 0.000 0.206 71 K C 2.121 178.828 176.600 0.177 0.000 1.050 71 K CA 1.120 57.482 56.287 0.124 0.000 0.935 71 K CB -0.033 32.504 32.500 0.063 0.000 0.715 71 K HN -0.004 nan 8.250 nan 0.000 0.439 72 A N 0.933 123.839 122.820 0.142 0.000 1.969 72 A HA -0.114 4.202 4.320 -0.006 0.000 0.218 72 A C 2.030 179.702 177.584 0.148 0.000 1.169 72 A CA 1.012 53.124 52.037 0.124 0.000 0.635 72 A CB -0.355 18.696 19.000 0.085 0.000 0.810 72 A HN 0.239 nan 8.150 nan 0.000 0.445 73 L N -1.895 119.443 121.223 0.193 0.000 2.044 73 L HA 0.057 4.393 4.340 -0.006 0.000 0.205 73 L C 2.136 179.191 176.870 0.308 0.000 1.075 73 L CA 1.921 56.884 54.840 0.205 0.000 0.747 73 L CB -0.716 41.448 42.059 0.174 0.000 0.903 73 L HN 0.384 nan 8.230 nan 0.000 0.435 74 F N 0.405 120.519 119.950 0.273 0.000 2.171 74 F HA -0.202 4.322 4.527 -0.005 0.000 0.300 74 F C 2.743 178.602 175.800 0.098 0.000 1.090 74 F CA 1.858 59.962 58.000 0.174 0.000 1.293 74 F CB -0.195 38.766 39.000 -0.065 0.000 1.013 74 F HN 0.083 nan 8.300 nan 0.000 0.486 75 R N 0.282 120.927 120.500 0.243 0.000 2.073 75 R HA -0.154 4.182 4.340 -0.006 0.000 0.234 75 R C 2.465 178.801 176.300 0.061 0.000 1.134 75 R CA 1.590 57.776 56.100 0.143 0.000 0.952 75 R CB -0.252 30.136 30.300 0.148 0.000 0.850 75 R HN 0.221 nan 8.270 nan 0.000 0.433 76 R N -0.362 120.178 120.500 0.068 0.000 2.091 76 R HA -0.147 4.190 4.340 -0.006 0.000 0.238 76 R C 2.452 178.760 176.300 0.014 0.000 1.136 76 R CA 1.788 57.915 56.100 0.046 0.000 0.959 76 R CB -0.456 29.874 30.300 0.050 0.000 0.856 76 R HN 0.365 nan 8.270 nan 0.000 0.437 77 C N -0.167 119.119 119.300 -0.023 0.000 2.440 77 C HA -0.007 4.449 4.460 -0.006 0.000 0.278 77 C C 2.874 177.797 174.990 -0.112 0.000 1.295 77 C CA 0.594 59.572 59.018 -0.065 0.000 1.738 77 C CB -0.908 26.776 27.740 -0.093 0.000 1.987 77 C HN 0.572 nan 8.230 nan 0.000 0.492 78 A N 0.489 123.181 122.820 -0.213 0.000 1.929 78 A HA 0.174 4.490 4.320 -0.006 0.000 0.216 78 A C 2.328 179.912 177.584 0.000 0.000 1.176 78 A CA 1.791 53.735 52.037 -0.155 0.000 0.628 78 A CB -0.682 18.203 19.000 -0.190 0.000 0.816 78 A HN 0.546 nan 8.150 nan 0.000 0.444 79 A N -0.067 122.770 122.820 0.029 0.000 1.929 79 A HA -0.081 4.236 4.320 -0.006 0.000 0.216 79 A C 1.708 179.327 177.584 0.057 0.000 1.176 79 A CA 1.713 53.798 52.037 0.080 0.000 0.628 79 A CB -0.405 18.653 19.000 0.095 0.000 0.816 79 A HN 0.415 nan 8.150 nan 0.000 0.444 80 D N -1.689 118.737 120.400 0.042 0.000 2.123 80 D HA -0.108 4.528 4.640 -0.006 0.000 0.200 80 D C 1.657 177.975 176.300 0.030 0.000 0.976 80 D CA 1.339 55.360 54.000 0.036 0.000 0.831 80 D CB -0.417 40.407 40.800 0.041 0.000 0.974 80 D HN 0.566 nan 8.370 nan 0.000 0.469 81 Y N 1.462 121.714 120.300 -0.081 0.000 2.242 81 Y HA -0.041 4.505 4.550 -0.006 0.000 0.291 81 Y C 2.158 177.962 175.900 -0.159 0.000 1.137 81 Y CA 1.400 59.436 58.100 -0.107 0.000 1.181 81 Y CB -0.337 38.058 38.460 -0.109 0.000 0.989 81 Y HN -0.062 nan 8.280 nan 0.000 0.527 82 A N -1.162 121.513 122.820 -0.242 0.000 1.969 82 A HA -0.151 4.165 4.320 -0.006 0.000 0.218 82 A C 2.474 179.805 177.584 -0.422 0.000 1.169 82 A CA 1.658 53.442 52.037 -0.421 0.000 0.635 82 A CB -1.214 17.657 19.000 -0.214 0.000 0.810 82 A HN 0.490 nan 8.150 nan 0.000 0.445 83 S N -0.414 115.159 115.700 -0.212 0.000 2.355 83 S HA -0.204 4.262 4.470 -0.006 0.000 0.222 83 S C 2.257 176.756 174.600 -0.169 0.000 1.031 83 S CA 1.773 59.901 58.200 -0.120 0.000 0.993 83 S CB -0.308 62.888 63.200 -0.007 0.000 0.859 83 S HN 0.621 nan 8.310 nan 0.000 0.453 84 R N 0.667 121.038 120.500 -0.215 0.000 2.081 84 R HA 0.063 4.399 4.340 -0.006 0.000 0.235 84 R C 2.111 178.213 176.300 -0.330 0.000 1.131 84 R CA 1.559 57.524 56.100 -0.226 0.000 0.960 84 R CB -1.191 28.991 30.300 -0.196 0.000 0.856 84 R HN 0.432 nan 8.270 nan 0.000 0.436 85 L N 0.115 120.999 121.223 -0.565 0.000 1.989 85 L HA -0.159 4.177 4.340 -0.006 0.000 0.211 85 L C 1.756 178.342 176.870 -0.472 0.000 1.071 85 L CA 2.214 56.668 54.840 -0.644 0.000 0.749 85 L CB -0.605 40.886 42.059 -0.946 0.000 0.890 85 L HN 0.411 nan 8.230 nan 0.000 0.431 86 H N -2.822 116.064 119.070 -0.306 0.000 2.548 86 H HA 0.051 4.603 4.556 -0.007 0.000 0.268 86 H C 2.273 177.522 175.328 -0.133 0.000 0.975 86 H CA 0.707 56.620 56.048 -0.226 0.000 1.195 86 H CB 0.233 29.737 29.762 -0.430 0.000 1.397 86 H HN 0.296 nan 8.280 nan 0.000 0.572 87 S N -0.209 115.459 115.700 -0.053 0.000 2.414 87 S HA -0.071 4.395 4.470 -0.006 0.000 0.227 87 S C 2.011 176.590 174.600 -0.034 0.000 1.022 87 S CA 0.777 58.962 58.200 -0.026 0.000 0.958 87 S CB -0.110 63.066 63.200 -0.040 0.000 0.797 87 S HN 0.329 nan 8.310 nan 0.000 0.493 88 V N 0.619 120.492 119.914 -0.069 0.000 3.431 88 V HA 0.362 4.478 4.120 -0.006 0.000 0.253 88 V C 1.509 177.571 176.094 -0.053 0.000 1.184 88 V CA 0.632 62.895 62.300 -0.061 0.000 1.104 88 V CB 0.011 31.785 31.823 -0.081 0.000 0.799 88 V HN 0.503 nan 8.190 nan 0.000 0.462 89 L N 0.460 121.650 121.223 -0.055 0.000 2.416 89 L HA 0.538 4.874 4.340 -0.006 0.000 0.216 89 L C 1.244 178.124 176.870 0.017 0.000 1.098 89 L CA 0.798 55.618 54.840 -0.033 0.000 0.840 89 L CB -0.351 41.677 42.059 -0.052 0.000 0.981 89 L HN 0.498 nan 8.230 nan 0.000 0.462 90 G N 0.440 109.263 108.800 0.038 0.000 2.710 90 G HA2 -0.242 3.714 3.960 -0.006 0.000 0.668 90 G HA3 -0.242 3.714 3.960 -0.006 0.000 0.668 90 G C 0.262 175.203 174.900 0.069 0.000 1.320 90 G CA -0.162 44.965 45.100 0.044 0.000 0.860 90 G HN 0.149 nan 8.290 nan 0.000 0.538 91 T N -2.734 111.839 114.554 0.030 0.000 3.174 91 T HA 0.623 4.969 4.350 -0.006 0.000 0.269 91 T C 1.140 175.798 174.700 -0.069 0.000 1.017 91 T CA 1.247 63.339 62.100 -0.012 0.000 0.899 91 T CB 0.849 69.727 68.868 0.017 0.000 1.077 91 T HN 2.089 nan 8.240 nan 0.000 0.552 92 A N 2.094 124.888 122.820 -0.044 0.000 3.074 92 A HA 0.324 4.640 4.320 -0.006 0.000 0.251 92 A C 0.767 178.298 177.584 -0.088 0.000 1.695 92 A CA -0.610 51.395 52.037 -0.053 0.000 1.343 92 A CB -0.711 18.277 19.000 -0.019 0.000 1.078 92 A HN 0.425 nan 8.150 nan 0.000 0.644 93 N N 1.166 119.738 118.700 -0.214 0.000 2.453 93 N HA 0.240 4.976 4.740 -0.006 0.000 0.270 93 N C 0.302 175.648 175.510 -0.274 0.000 1.195 93 N CA 0.245 53.077 53.050 -0.363 0.000 0.902 93 N CB 0.804 38.652 38.487 -1.065 0.000 1.186 93 N HN 0.585 nan 8.380 nan 0.000 0.510 94 A N 1.446 124.196 122.820 -0.116 0.000 2.425 94 A HA 0.357 4.673 4.320 -0.006 0.000 0.242 94 A C -1.958 175.628 177.584 0.003 0.000 1.077 94 A CA -0.723 51.291 52.037 -0.038 0.000 0.781 94 A CB -0.262 18.728 19.000 -0.018 0.000 1.020 94 A HN 0.045 nan 8.150 nan 0.000 0.494 95 P HA 0.126 nan 4.420 nan 0.000 0.264 95 P C -0.666 176.630 177.300 -0.007 0.000 1.179 95 P CA 0.091 63.192 63.100 0.002 0.000 0.763 95 P CB 0.233 31.927 31.700 -0.011 0.000 0.806 96 L N 2.986 124.196 121.223 -0.022 0.000 2.312 96 L HA 0.257 4.593 4.340 -0.006 0.000 0.281 96 L C 0.522 177.386 176.870 -0.010 0.000 1.070 96 L CA 0.200 55.038 54.840 -0.003 0.000 0.805 96 L CB 0.710 42.773 42.059 0.006 0.000 1.174 96 L HN 0.427 nan 8.230 nan 0.000 0.434 97 S N 4.299 120.011 115.700 0.021 0.000 2.573 97 S HA 0.097 4.563 4.470 -0.006 0.000 0.277 97 S C 1.612 176.233 174.600 0.035 0.000 1.346 97 S CA -0.660 57.561 58.200 0.034 0.000 1.034 97 S CB 0.424 63.662 63.200 0.064 0.000 0.879 97 S HN 0.495 nan 8.310 nan 0.000 0.528 98 I N 0.797 121.385 120.570 0.030 0.000 2.185 98 I HA -0.229 3.938 4.170 -0.006 0.000 0.246 98 I C 2.131 178.257 176.117 0.014 0.000 1.088 98 I CA 2.109 63.414 61.300 0.009 0.000 1.347 98 I CB -1.637 36.368 38.000 0.009 0.000 1.041 98 I HN 0.878 nan 8.210 nan 0.000 0.415 99 Y N 1.927 122.194 120.300 -0.055 0.000 2.145 99 Y HA -0.237 4.309 4.550 -0.006 0.000 0.286 99 Y C 2.619 178.492 175.900 -0.044 0.000 1.145 99 Y CA 1.980 60.048 58.100 -0.052 0.000 1.148 99 Y CB -0.201 38.238 38.460 -0.035 0.000 0.981 99 Y HN 0.219 nan 8.280 nan 0.000 0.507 100 E N -0.379 119.885 120.200 0.106 0.000 2.274 100 E HA -0.114 4.232 4.350 -0.006 0.000 0.194 100 E C 2.208 178.786 176.600 -0.036 0.000 0.996 100 E CA 0.597 57.019 56.400 0.037 0.000 0.840 100 E CB -0.189 29.567 29.700 0.092 0.000 0.772 100 E HN 0.572 nan 8.360 nan 0.000 0.491 101 A N 1.040 123.831 122.820 -0.050 0.000 1.969 101 A HA -0.141 4.175 4.320 -0.006 0.000 0.218 101 A C 1.996 179.519 177.584 -0.103 0.000 1.169 101 A CA 0.931 52.931 52.037 -0.062 0.000 0.635 101 A CB -0.154 18.807 19.000 -0.065 0.000 0.810 101 A HN 0.097 nan 8.150 nan 0.000 0.445 102 I N -0.703 119.753 120.570 -0.190 0.000 2.385 102 I HA -0.047 4.120 4.170 -0.006 0.000 0.244 102 I C 2.036 178.045 176.117 -0.179 0.000 1.089 102 I CA 1.104 62.248 61.300 -0.260 0.000 1.410 102 I CB -1.214 36.531 38.000 -0.426 0.000 1.117 102 I HN 0.176 nan 8.210 nan 0.000 0.429 103 K N 0.991 121.222 120.400 -0.280 0.000 2.167 103 K HA 0.120 4.436 4.320 -0.006 0.000 0.203 103 K C 0.747 177.291 176.600 -0.093 0.000 1.052 103 K CA 0.775 56.923 56.287 -0.232 0.000 0.956 103 K CB -0.290 31.942 32.500 -0.447 0.000 0.735 103 K HN 0.460 nan 8.250 nan 0.000 0.451 104 G N 1.465 110.227 108.800 -0.064 0.000 2.764 104 G HA2 -0.201 3.755 3.960 -0.006 0.000 0.686 104 G HA3 -0.201 3.755 3.960 -0.006 0.000 0.686 104 G C 0.039 174.951 174.900 0.020 0.000 1.258 104 G CA -0.123 44.976 45.100 -0.002 0.000 0.846 104 G HN 0.137 nan 8.290 nan 0.000 0.596 105 V N -0.935 119.004 119.914 0.043 0.000 3.613 105 V HA 0.745 4.862 4.120 -0.006 0.000 0.283 105 V C 0.997 177.120 176.094 0.049 0.000 1.052 105 V CA -0.081 62.250 62.300 0.052 0.000 0.937 105 V CB 1.131 32.989 31.823 0.058 0.000 1.241 105 V HN 0.888 nan 8.190 nan 0.000 0.429 106 D N 0.089 120.517 120.400 0.048 0.000 2.363 106 D HA 0.411 5.048 4.640 -0.006 0.000 0.263 106 D C 0.922 177.255 176.300 0.055 0.000 1.258 106 D CA 1.707 55.733 54.000 0.043 0.000 0.907 106 D CB 0.490 41.311 40.800 0.036 0.000 1.107 106 D HN 1.179 nan 8.370 nan 0.000 0.495 107 G N 3.571 112.405 108.800 0.056 0.000 2.604 107 G HA2 -0.245 3.711 3.960 -0.006 0.000 0.205 107 G HA3 -0.245 3.711 3.960 -0.006 0.000 0.205 107 G C 0.069 175.024 174.900 0.092 0.000 1.186 107 G CA -0.031 45.120 45.100 0.086 0.000 0.753 107 G HN 0.539 nan 8.290 nan 0.000 0.526 108 L N 3.247 124.540 121.223 0.116 0.000 2.290 108 L HA 0.631 4.967 4.340 -0.006 0.000 0.284 108 L C -0.238 176.659 176.870 0.045 0.000 1.078 108 L CA -0.793 54.116 54.840 0.115 0.000 0.815 108 L CB 0.770 42.916 42.059 0.145 0.000 1.162 108 L HN 0.268 nan 8.230 nan 0.000 0.435 109 D N 3.538 123.945 120.400 0.011 0.000 2.360 109 D HA 0.303 4.939 4.640 -0.006 0.000 0.242 109 D C -0.028 176.288 176.300 0.026 0.000 1.184 109 D CA 0.171 54.175 54.000 0.007 0.000 0.930 109 D CB 1.107 41.900 40.800 -0.012 0.000 1.161 109 D HN 0.763 nan 8.370 nan 0.000 0.447 110 A N 1.410 124.244 122.820 0.024 0.000 2.445 110 A HA 0.183 4.499 4.320 -0.006 0.000 0.242 110 A C 0.591 178.223 177.584 0.079 0.000 1.075 110 A CA -0.234 51.827 52.037 0.039 0.000 0.777 110 A CB 0.049 19.071 19.000 0.037 0.000 1.013 110 A HN 0.572 nan 8.150 nan 0.000 0.493 111 M N 1.765 121.446 119.600 0.134 0.000 2.249 111 M HA 0.048 4.524 4.480 -0.006 0.000 0.340 111 M C 0.293 176.738 176.300 0.242 0.000 1.166 111 M CA 0.253 55.688 55.300 0.225 0.000 1.115 111 M CB 0.260 33.044 32.600 0.307 0.000 1.606 111 M HN 0.610 nan 8.290 nan 0.000 0.448 112 E N 3.803 124.055 120.200 0.087 0.000 2.415 112 E HA 0.010 4.356 4.350 -0.006 0.000 0.260 112 E C -1.779 174.541 176.600 -0.466 0.000 1.016 112 E CA -1.227 55.111 56.400 -0.104 0.000 0.924 112 E CB 0.263 29.913 29.700 -0.084 0.000 0.961 112 E HN 0.402 nan 8.360 nan 0.000 0.459 113 P HA -0.137 nan 4.420 nan 0.000 0.214 113 P C -0.019 176.780 177.300 -0.835 0.000 1.163 113 P CA 1.484 64.016 63.100 -0.946 0.000 0.889 113 P CB 0.406 31.866 31.700 -0.401 0.000 0.790 114 D N -1.539 118.610 120.400 -0.418 0.000 2.472 114 D HA 0.155 4.791 4.640 -0.006 0.000 0.248 114 D C -0.163 176.046 176.300 -0.153 0.000 1.271 114 D CA 0.084 53.931 54.000 -0.256 0.000 0.888 114 D CB 0.862 41.560 40.800 -0.169 0.000 1.337 114 D HN 0.090 nan 8.370 nan 0.000 0.526 115 T N -2.416 112.055 114.554 -0.138 0.000 2.870 115 T HA 0.742 5.088 4.350 -0.006 0.000 0.277 115 T C 0.583 175.249 174.700 -0.057 0.000 1.000 115 T CA -0.915 61.127 62.100 -0.098 0.000 0.982 115 T CB 1.295 70.098 68.868 -0.108 0.000 1.249 115 T HN 0.138 nan 8.240 nan 0.000 0.589 116 A N 2.545 125.309 122.820 -0.093 0.000 2.545 116 A HA 0.364 4.680 4.320 -0.006 0.000 0.253 116 A C -0.841 176.785 177.584 0.071 0.000 1.074 116 A CA -1.002 51.027 52.037 -0.014 0.000 0.760 116 A CB -0.508 18.375 19.000 -0.195 0.000 1.005 116 A HN 0.741 nan 8.150 nan 0.000 0.506 117 P HA 0.107 nan 4.420 nan 0.000 0.225 117 P C 0.990 178.518 177.300 0.380 0.000 1.156 117 P CA 1.410 64.648 63.100 0.230 0.000 0.787 117 P CB 0.045 31.893 31.700 0.246 0.000 0.802 118 G N 0.070 109.062 108.800 0.319 0.000 2.466 118 G HA2 -0.155 3.802 3.960 -0.006 0.000 0.218 118 G HA3 -0.155 3.802 3.960 -0.006 0.000 0.218 118 G C -1.221 173.795 174.900 0.193 0.000 1.237 118 G CA -0.485 44.777 45.100 0.269 0.000 0.954 118 G HN 0.259 nan 8.290 nan 0.000 0.580 119 L N 1.318 122.559 121.223 0.030 0.000 2.342 119 L HA 0.563 4.899 4.340 -0.006 0.000 0.271 119 L C -1.762 174.726 176.870 -0.637 0.000 1.008 119 L CA -1.888 52.832 54.840 -0.200 0.000 0.818 119 L CB 2.677 44.680 42.059 -0.093 0.000 1.296 119 L HN 0.453 nan 8.230 nan 0.000 0.427 120 P HA 0.094 nan 4.420 nan 0.000 0.249 120 P C 0.308 177.397 177.300 -0.352 0.000 1.583 120 P CA -0.094 62.699 63.100 -0.511 0.000 0.988 120 P CB -0.206 31.241 31.700 -0.421 0.000 1.530 121 W N 0.180 121.526 121.300 0.078 0.000 2.518 121 W HA 0.162 4.819 4.660 -0.005 0.000 0.273 121 W C 2.182 178.746 176.519 0.075 0.000 1.247 121 W CA 0.412 57.802 57.345 0.075 0.000 1.288 121 W CB -0.978 28.532 29.460 0.083 0.000 1.107 121 W HN 0.004 nan 8.180 nan 0.000 0.586 122 A N 0.584 123.537 122.820 0.221 0.000 2.016 122 A HA 0.035 4.351 4.320 -0.006 0.000 0.217 122 A C 1.578 179.215 177.584 0.088 0.000 1.162 122 A CA 0.627 52.762 52.037 0.164 0.000 0.662 122 A CB -0.741 18.348 19.000 0.147 0.000 0.812 122 A HN 0.287 nan 8.150 nan 0.000 0.450 123 L N -0.688 120.555 121.223 0.033 0.000 2.779 123 L HA 0.197 4.533 4.340 -0.006 0.000 0.239 123 L C 1.535 178.427 176.870 0.038 0.000 1.245 123 L CA 0.337 55.177 54.840 -0.000 0.000 1.064 123 L CB -0.158 41.872 42.059 -0.050 0.000 1.350 123 L HN 0.555 nan 8.230 nan 0.000 0.455 124 Q N -0.214 119.641 119.800 0.092 0.000 2.024 124 Q HA 0.157 4.493 4.340 -0.006 0.000 0.227 124 Q C 0.801 176.876 176.000 0.126 0.000 0.720 124 Q CA 0.545 56.418 55.803 0.116 0.000 0.884 124 Q CB 1.220 30.063 28.738 0.175 0.000 1.212 124 Q HN 0.335 nan 8.270 nan 0.000 0.450 125 G N 2.672 111.556 108.800 0.140 0.000 2.401 125 G HA2 -0.259 3.697 3.960 -0.006 0.000 0.283 125 G HA3 -0.259 3.697 3.960 -0.006 0.000 0.283 125 G C -0.541 174.433 174.900 0.124 0.000 1.117 125 G CA 0.824 46.001 45.100 0.129 0.000 1.051 125 G HN 0.331 nan 8.290 nan 0.000 0.510 126 K N -1.173 119.317 120.400 0.150 0.000 2.509 126 K HA 0.829 5.145 4.320 -0.006 0.000 0.266 126 K C -0.040 176.627 176.600 0.112 0.000 0.987 126 K CA -1.430 54.929 56.287 0.120 0.000 0.868 126 K CB 1.816 34.386 32.500 0.115 0.000 1.421 126 K HN 0.065 nan 8.250 nan 0.000 0.444 127 R N 0.742 121.278 120.500 0.061 0.000 2.549 127 R HA 0.316 4.652 4.340 -0.006 0.000 0.259 127 R C 1.144 177.447 176.300 0.006 0.000 1.095 127 R CA -0.635 55.487 56.100 0.036 0.000 1.148 127 R CB 0.635 30.942 30.300 0.011 0.000 1.181 127 R HN 0.719 nan 8.270 nan 0.000 0.571 128 R N 0.085 120.583 120.500 -0.003 0.000 2.096 128 R HA -0.098 4.238 4.340 -0.006 0.000 0.235 128 R C 2.034 178.406 176.300 0.120 0.000 1.127 128 R CA 1.894 58.014 56.100 0.033 0.000 0.968 128 R CB -0.540 29.745 30.300 -0.026 0.000 0.861 128 R HN 0.798 nan 8.270 nan 0.000 0.440 129 G N -0.244 108.579 108.800 0.039 0.000 2.448 129 G HA2 -0.180 3.776 3.960 -0.006 0.000 0.218 129 G HA3 -0.180 3.776 3.960 -0.006 0.000 0.218 129 G C 1.300 176.234 174.900 0.057 0.000 1.135 129 G CA 0.591 45.747 45.100 0.093 0.000 0.784 129 G HN 0.398 nan 8.290 nan 0.000 0.543 130 A N -0.329 122.499 122.820 0.014 0.000 2.206 130 A HA 0.424 4.740 4.320 -0.006 0.000 0.211 130 A C 2.094 179.646 177.584 -0.054 0.000 1.158 130 A CA 0.595 52.627 52.037 -0.007 0.000 0.761 130 A CB -0.085 18.917 19.000 0.004 0.000 0.801 130 A HN 0.370 nan 8.150 nan 0.000 0.473 131 L N -1.709 119.460 121.223 -0.091 0.000 2.547 131 L HA 0.416 4.752 4.340 -0.006 0.000 0.218 131 L C -0.176 176.607 176.870 -0.144 0.000 1.048 131 L CA 0.303 55.022 54.840 -0.203 0.000 0.859 131 L CB 0.382 42.181 42.059 -0.432 0.000 1.128 131 L HN 0.154 nan 8.230 nan 0.000 0.483 132 I N -0.729 119.809 120.570 -0.053 0.000 2.533 132 I HA 0.215 4.382 4.170 -0.006 0.000 0.290 132 I C -1.191 174.919 176.117 -0.012 0.000 1.056 132 I CA -0.691 60.541 61.300 -0.114 0.000 1.057 132 I CB 2.231 40.042 38.000 -0.316 0.000 1.240 132 I HN -0.168 nan 8.210 nan 0.000 0.423 133 D N 5.750 126.107 120.400 -0.072 0.000 2.435 133 D HA 0.161 4.797 4.640 -0.006 0.000 0.230 133 D C 0.719 176.988 176.300 -0.051 0.000 1.215 133 D CA 0.262 54.260 54.000 -0.003 0.000 0.947 133 D CB 0.298 41.092 40.800 -0.010 0.000 1.048 133 D HN 0.335 nan 8.370 nan 0.000 0.512 134 F N 0.648 120.566 119.950 -0.053 0.000 2.325 134 F HA -0.090 4.433 4.527 -0.007 0.000 0.299 134 F C 2.372 178.134 175.800 -0.064 0.000 1.090 134 F CA 0.595 58.556 58.000 -0.066 0.000 1.392 134 F CB 0.338 39.303 39.000 -0.058 0.000 1.053 134 F HN 0.236 nan 8.300 nan 0.000 0.521 135 E N 0.630 120.907 120.200 0.129 0.000 2.107 135 E HA -0.123 4.224 4.350 -0.006 0.000 0.191 135 E C 1.555 178.180 176.600 0.042 0.000 0.982 135 E CA 0.931 57.373 56.400 0.070 0.000 0.809 135 E CB -0.180 29.557 29.700 0.062 0.000 0.756 135 E HN 0.385 nan 8.360 nan 0.000 0.459 136 N N -0.904 117.815 118.700 0.032 0.000 2.131 136 N HA 0.005 4.741 4.740 -0.006 0.000 0.190 136 N C 1.410 176.952 175.510 0.053 0.000 1.055 136 N CA 1.945 55.027 53.050 0.053 0.000 0.853 136 N CB -0.259 38.252 38.487 0.040 0.000 1.035 136 N HN 0.277 nan 8.380 nan 0.000 0.440 137 G N -1.888 106.884 108.800 -0.047 0.000 2.902 137 G HA2 -0.107 3.849 3.960 -0.006 0.000 0.215 137 G HA3 -0.107 3.849 3.960 -0.006 0.000 0.215 137 G C 0.088 174.945 174.900 -0.072 0.000 0.976 137 G CA 0.321 45.333 45.100 -0.147 0.000 0.794 137 G HN 0.627 nan 8.290 nan 0.000 0.557 138 T N -1.291 113.235 114.554 -0.046 0.000 2.841 138 T HA 0.860 5.206 4.350 -0.006 0.000 0.276 138 T C 0.572 175.205 174.700 -0.112 0.000 1.003 138 T CA -0.163 61.903 62.100 -0.056 0.000 0.995 138 T CB 1.924 70.788 68.868 -0.005 0.000 1.260 138 T HN 1.332 nan 8.240 nan 0.000 0.581 139 V N -2.217 117.640 119.914 -0.095 0.000 3.420 139 V HA 1.000 5.117 4.120 -0.006 0.000 0.295 139 V C 0.595 176.641 176.094 -0.081 0.000 1.201 139 V CA -0.474 61.757 62.300 -0.116 0.000 0.995 139 V CB 0.735 32.487 31.823 -0.118 0.000 1.244 139 V HN 1.267 nan 8.190 nan 0.000 0.466 140 G N -1.326 107.418 108.800 -0.093 0.000 2.938 140 G HA2 0.612 4.568 3.960 -0.006 0.000 0.258 140 G HA3 0.612 4.568 3.960 -0.006 0.000 0.258 140 G C -1.864 173.004 174.900 -0.054 0.000 1.356 140 G CA -0.690 44.369 45.100 -0.069 0.000 1.052 140 G HN 0.610 nan 8.290 nan 0.000 0.550 141 P HA -0.092 nan 4.420 nan 0.000 0.211 141 P C 0.980 178.290 177.300 0.017 0.000 1.179 141 P CA 1.496 64.595 63.100 -0.001 0.000 0.910 141 P CB 0.233 31.943 31.700 0.016 0.000 0.785 142 E N -0.515 119.702 120.200 0.030 0.000 2.274 142 E HA -0.055 4.291 4.350 -0.006 0.000 0.194 142 E C 2.002 178.658 176.600 0.094 0.000 0.996 142 E CA 0.519 56.990 56.400 0.119 0.000 0.840 142 E CB -0.821 29.047 29.700 0.280 0.000 0.772 142 E HN 0.102 nan 8.360 nan 0.000 0.491 143 V N 1.264 121.158 119.914 -0.035 0.000 2.407 143 V HA -0.197 3.919 4.120 -0.006 0.000 0.245 143 V C 2.001 178.075 176.094 -0.034 0.000 1.041 143 V CA 1.829 64.094 62.300 -0.059 0.000 1.040 143 V CB -0.636 31.093 31.823 -0.157 0.000 0.671 143 V HN 0.324 nan 8.190 nan 0.000 0.455 144 E N 2.138 122.320 120.200 -0.030 0.000 2.274 144 E HA -0.034 4.312 4.350 -0.006 0.000 0.194 144 E C 1.877 178.474 176.600 -0.006 0.000 0.996 144 E CA 1.350 57.738 56.400 -0.020 0.000 0.840 144 E CB -0.542 29.147 29.700 -0.017 0.000 0.772 144 E HN 0.481 nan 8.360 nan 0.000 0.491 145 A N 1.619 124.450 122.820 0.018 0.000 1.854 145 A HA 0.203 4.519 4.320 -0.006 0.000 0.214 145 A C 2.526 180.130 177.584 0.034 0.000 1.192 145 A CA 1.523 53.582 52.037 0.037 0.000 0.611 145 A CB -1.047 17.995 19.000 0.071 0.000 0.832 145 A HN 0.384 nan 8.150 nan 0.000 0.442 146 A N -0.055 122.799 122.820 0.056 0.000 1.978 146 A HA -0.093 4.223 4.320 -0.006 0.000 0.220 146 A C 2.116 179.600 177.584 -0.167 0.000 1.170 146 A CA 1.560 53.604 52.037 0.012 0.000 0.636 146 A CB -0.607 18.441 19.000 0.080 0.000 0.810 146 A HN 0.607 nan 8.150 nan 0.000 0.448 147 L N -0.405 120.737 121.223 -0.135 0.000 2.043 147 L HA -0.200 4.136 4.340 -0.006 0.000 0.212 147 L C 2.111 178.866 176.870 -0.191 0.000 1.075 147 L CA 2.781 57.517 54.840 -0.174 0.000 0.752 147 L CB -0.776 41.250 42.059 -0.055 0.000 0.891 147 L HN 0.488 nan 8.230 nan 0.000 0.432 148 K N -0.421 119.921 120.400 -0.098 0.000 2.167 148 K HA -0.073 4.244 4.320 -0.006 0.000 0.203 148 K C 2.212 178.764 176.600 -0.080 0.000 1.052 148 K CA 0.863 57.107 56.287 -0.073 0.000 0.956 148 K CB 0.017 32.500 32.500 -0.028 0.000 0.735 148 K HN 0.494 nan 8.250 nan 0.000 0.451 149 L N -0.924 120.270 121.223 -0.048 0.000 2.217 149 L HA 0.006 4.342 4.340 -0.006 0.000 0.211 149 L C 2.280 179.143 176.870 -0.011 0.000 1.107 149 L CA 0.819 55.668 54.840 0.015 0.000 0.783 149 L CB -0.444 41.699 42.059 0.139 0.000 0.919 149 L HN 0.051 nan 8.230 nan 0.000 0.442 150 M N 0.041 119.535 119.600 -0.177 0.000 2.200 150 M HA -0.115 4.361 4.480 -0.006 0.000 0.265 150 M C 2.205 178.229 176.300 -0.459 0.000 1.066 150 M CA 1.542 56.656 55.300 -0.310 0.000 1.127 150 M CB -0.190 31.890 32.600 -0.867 0.000 1.379 150 M HN 0.267 nan 8.290 nan 0.000 0.420 151 E N 0.358 120.339 120.200 -0.365 0.000 2.153 151 E HA -0.178 4.168 4.350 -0.006 0.000 0.194 151 E C 1.170 177.655 176.600 -0.192 0.000 0.988 151 E CA 1.015 57.311 56.400 -0.173 0.000 0.811 151 E CB 0.067 29.725 29.700 -0.070 0.000 0.746 151 E HN 0.422 nan 8.360 nan 0.000 0.466 152 K N -0.056 120.220 120.400 -0.206 0.000 2.410 152 K HA 0.155 4.471 4.320 -0.006 0.000 0.200 152 K C -0.015 176.417 176.600 -0.280 0.000 1.023 152 K CA -0.125 56.053 56.287 -0.183 0.000 1.149 152 K CB 0.575 33.018 32.500 -0.096 0.000 0.859 152 K HN -0.033 nan 8.250 nan 0.000 0.514 153 R N -0.476 119.691 120.500 -0.554 0.000 3.977 153 R HA -0.197 4.139 4.340 -0.006 0.000 0.428 153 R C 0.365 176.559 176.300 -0.176 0.000 1.079 153 R CA 1.224 56.829 56.100 -0.824 0.000 1.269 153 R CB -1.662 28.232 30.300 -0.676 0.000 1.856 153 R HN 0.375 nan 8.270 nan 0.000 0.551 154 E N 0.071 120.248 120.200 -0.039 0.000 2.216 154 E HA -0.059 4.287 4.350 -0.006 0.000 0.192 154 E C 0.653 177.384 176.600 0.219 0.000 0.988 154 E CA 0.282 56.734 56.400 0.085 0.000 0.834 154 E CB -0.145 29.584 29.700 0.049 0.000 0.772 154 E HN 0.375 nan 8.360 nan 0.000 0.479 155 Y N 2.417 122.845 120.300 0.214 0.000 2.610 155 Y HA -0.015 4.532 4.550 -0.005 0.000 0.332 155 Y C 0.128 176.204 175.900 0.293 0.000 1.201 155 Y CA 0.307 58.564 58.100 0.261 0.000 1.465 155 Y CB 0.394 39.037 38.460 0.304 0.000 1.283 155 Y HN -0.330 nan 8.280 nan 0.000 0.563 156 K N 7.371 127.492 120.400 -0.464 0.000 2.426 156 K HA 0.398 4.714 4.320 -0.006 0.000 0.251 156 K C -1.373 174.834 176.600 -0.655 0.000 0.941 156 K CA -0.582 55.435 56.287 -0.450 0.000 0.808 156 K CB 2.135 34.477 32.500 -0.263 0.000 1.265 156 K HN 0.659 nan 8.250 nan 0.000 0.432 157 F N -1.220 118.431 119.950 -0.499 0.000 2.824 157 F HA 0.883 5.407 4.527 -0.005 0.000 0.330 157 F C -1.397 174.264 175.800 -0.232 0.000 1.175 157 F CA -1.406 56.374 58.000 -0.366 0.000 0.974 157 F CB 1.359 40.244 39.000 -0.192 0.000 1.430 157 F HN 0.414 nan 8.300 nan 0.000 0.507 158 A N 0.228 123.101 122.820 0.088 0.000 2.427 158 A HA 0.649 4.965 4.320 -0.006 0.000 0.298 158 A C -1.528 176.127 177.584 0.119 0.000 1.036 158 A CA -0.726 51.298 52.037 -0.022 0.000 0.701 158 A CB 0.746 19.695 19.000 -0.084 0.000 1.250 158 A HN 0.987 nan 8.150 nan 0.000 0.412 159 C N 1.896 121.211 119.300 0.025 0.000 2.499 159 C HA 0.438 4.894 4.460 -0.006 0.000 0.386 159 C C 0.716 175.797 174.990 0.152 0.000 1.293 159 C CA -0.182 58.881 59.018 0.076 0.000 1.884 159 C CB -0.077 27.635 27.740 -0.047 0.000 2.509 159 C HN 0.858 nan 8.230 nan 0.000 0.566 160 Q N 1.964 121.884 119.800 0.199 0.000 2.294 160 Q HA 0.214 4.550 4.340 -0.006 0.000 0.257 160 Q C -0.427 175.781 176.000 0.347 0.000 0.955 160 Q CA 0.245 56.194 55.803 0.244 0.000 0.936 160 Q CB 0.767 29.653 28.738 0.246 0.000 1.188 160 Q HN 0.778 nan 8.270 nan 0.000 0.420 161 T N 5.134 119.902 114.554 0.356 0.000 2.723 161 T HA 0.276 4.622 4.350 -0.006 0.000 0.297 161 T C -0.625 174.283 174.700 0.347 0.000 0.925 161 T CA -0.070 62.270 62.100 0.400 0.000 1.030 161 T CB -0.092 69.068 68.868 0.487 0.000 0.905 161 T HN 0.325 nan 8.240 nan 0.000 0.502 162 F N 2.289 122.350 119.950 0.185 0.000 2.408 162 F HA 0.557 5.080 4.527 -0.006 0.000 0.325 162 F C 0.153 176.028 175.800 0.125 0.000 1.082 162 F CA -1.217 56.868 58.000 0.142 0.000 1.032 162 F CB 0.980 40.046 39.000 0.109 0.000 1.259 162 F HN 0.305 nan 8.300 nan 0.000 0.503 163 L N 2.690 124.042 121.223 0.214 0.000 2.296 163 L HA 0.345 4.681 4.340 -0.006 0.000 0.286 163 L C -0.483 176.500 176.870 0.189 0.000 1.023 163 L CA -1.001 53.931 54.840 0.155 0.000 0.812 163 L CB 1.423 43.528 42.059 0.077 0.000 1.223 163 L HN 0.419 nan 8.230 nan 0.000 0.421 164 K N 2.250 122.727 120.400 0.128 0.000 2.336 164 K HA 0.018 4.335 4.320 -0.006 0.000 0.290 164 K C -0.368 176.271 176.600 0.065 0.000 1.067 164 K CA -0.192 56.155 56.287 0.100 0.000 0.962 164 K CB 0.146 32.683 32.500 0.063 0.000 1.008 164 K HN 0.300 nan 8.250 nan 0.000 0.467 165 D N 4.817 125.261 120.400 0.074 0.000 2.402 165 D HA 0.051 4.688 4.640 -0.006 0.000 0.235 165 D C -0.864 175.444 176.300 0.014 0.000 1.226 165 D CA -0.016 54.007 54.000 0.039 0.000 0.918 165 D CB 0.217 41.050 40.800 0.054 0.000 1.043 165 D HN 0.663 nan 8.370 nan 0.000 0.506 166 E N 1.694 121.887 120.200 -0.011 0.000 2.430 166 E HA 0.385 4.731 4.350 -0.006 0.000 0.279 166 E C -0.968 175.596 176.600 -0.060 0.000 1.003 166 E CA -1.022 55.364 56.400 -0.024 0.000 0.801 166 E CB 0.502 30.197 29.700 -0.008 0.000 1.313 166 E HN 0.098 nan 8.360 nan 0.000 0.459 167 I N 1.412 121.945 120.570 -0.062 0.000 2.496 167 I HA 0.306 4.473 4.170 -0.006 0.000 0.285 167 I C 0.413 176.541 176.117 0.018 0.000 1.080 167 I CA 0.075 61.327 61.300 -0.081 0.000 1.404 167 I CB 0.386 38.353 38.000 -0.055 0.000 1.403 167 I HN 0.337 nan 8.210 nan 0.000 0.539 168 R N 6.518 127.051 120.500 0.055 0.000 2.837 168 R HA 0.499 4.835 4.340 -0.006 0.000 0.271 168 R C -2.682 173.721 176.300 0.172 0.000 0.993 168 R CA -1.952 54.221 56.100 0.121 0.000 0.931 168 R CB 1.843 32.157 30.300 0.022 0.000 1.206 168 R HN 0.269 nan 8.270 nan 0.000 0.474 169 P HA -0.025 nan 4.420 nan 0.000 0.265 169 P C 0.648 177.811 177.300 -0.227 0.000 1.193 169 P CA 0.018 62.909 63.100 -0.349 0.000 0.765 169 P CB 0.550 32.071 31.700 -0.298 0.000 0.823 170 M N 1.938 121.374 119.600 -0.273 0.000 2.267 170 M HA -0.171 4.305 4.480 -0.006 0.000 0.263 170 M C 1.909 178.142 176.300 -0.111 0.000 1.063 170 M CA 1.720 56.936 55.300 -0.139 0.000 1.090 170 M CB -1.212 31.324 32.600 -0.107 0.000 1.392 170 M HN 0.536 nan 8.290 nan 0.000 0.422 171 E N 0.518 120.639 120.200 -0.133 0.000 2.072 171 E HA -0.189 4.157 4.350 -0.006 0.000 0.191 171 E C 1.803 178.359 176.600 -0.074 0.000 0.985 171 E CA 1.198 57.542 56.400 -0.093 0.000 0.801 171 E CB 0.176 29.818 29.700 -0.097 0.000 0.750 171 E HN 0.463 nan 8.360 nan 0.000 0.452 172 K N -0.091 120.262 120.400 -0.077 0.000 2.217 172 K HA -0.042 4.274 4.320 -0.006 0.000 0.202 172 K C 2.049 178.618 176.600 -0.052 0.000 1.051 172 K CA 0.775 57.029 56.287 -0.057 0.000 0.952 172 K CB 0.292 32.764 32.500 -0.046 0.000 0.736 172 K HN 0.055 nan 8.250 nan 0.000 0.453 173 V N 0.982 120.861 119.914 -0.058 0.000 2.323 173 V HA -0.198 3.918 4.120 -0.006 0.000 0.244 173 V C 2.184 178.252 176.094 -0.044 0.000 1.041 173 V CA 1.573 63.842 62.300 -0.052 0.000 1.025 173 V CB -0.379 31.409 31.823 -0.058 0.000 0.656 173 V HN 0.195 nan 8.190 nan 0.000 0.451 174 R N 0.275 120.749 120.500 -0.044 0.000 2.096 174 R HA -0.058 4.278 4.340 -0.006 0.000 0.235 174 R C 2.259 178.539 176.300 -0.032 0.000 1.127 174 R CA 1.489 57.569 56.100 -0.034 0.000 0.968 174 R CB -0.621 29.659 30.300 -0.034 0.000 0.861 174 R HN 0.528 nan 8.270 nan 0.000 0.440 175 A N -0.384 122.413 122.820 -0.038 0.000 2.168 175 A HA 0.134 4.450 4.320 -0.006 0.000 0.215 175 A C 1.342 178.903 177.584 -0.038 0.000 1.152 175 A CA 0.923 52.938 52.037 -0.036 0.000 0.716 175 A CB -0.443 18.534 19.000 -0.039 0.000 0.794 175 A HN 0.451 nan 8.150 nan 0.000 0.465 176 G N -0.481 108.295 108.800 -0.040 0.000 2.225 176 G HA2 -0.255 3.701 3.960 -0.006 0.000 0.264 176 G HA3 -0.255 3.701 3.960 -0.006 0.000 0.264 176 G C 0.294 175.158 174.900 -0.059 0.000 1.060 176 G CA 0.486 45.559 45.100 -0.044 0.000 0.833 176 G HN 0.513 nan 8.290 nan 0.000 0.498 177 K N 0.787 121.152 120.400 -0.057 0.000 2.911 177 K HA 0.143 4.460 4.320 -0.006 0.000 0.239 177 K C 0.804 177.366 176.600 -0.064 0.000 1.090 177 K CA 0.000 56.248 56.287 -0.065 0.000 1.225 177 K CB 0.012 32.481 32.500 -0.053 0.000 1.087 177 K HN 0.371 nan 8.250 nan 0.000 0.464 178 T N 2.295 116.808 114.554 -0.067 0.000 2.831 178 T HA -0.004 4.342 4.350 -0.006 0.000 0.291 178 T C 0.554 175.214 174.700 -0.066 0.000 0.981 178 T CA 0.335 62.402 62.100 -0.055 0.000 1.174 178 T CB 0.278 69.119 68.868 -0.045 0.000 0.929 178 T HN 0.245 nan 8.240 nan 0.000 0.532 179 R N 2.528 123.006 120.500 -0.037 0.000 2.641 179 R HA 0.490 4.826 4.340 -0.006 0.000 0.269 179 R C 0.439 176.732 176.300 -0.012 0.000 1.074 179 R CA -0.323 55.760 56.100 -0.029 0.000 1.133 179 R CB 0.359 30.659 30.300 -0.000 0.000 1.029 179 R HN 0.669 nan 8.270 nan 0.000 0.488 180 I N -2.363 118.201 120.570 -0.009 0.000 2.689 180 I HA 0.488 4.655 4.170 -0.006 0.000 0.299 180 I C -0.642 175.530 176.117 0.092 0.000 1.059 180 I CA -1.348 59.975 61.300 0.037 0.000 1.055 180 I CB 2.161 40.145 38.000 -0.027 0.000 1.243 180 I HN 0.096 nan 8.210 nan 0.000 0.425 181 V N 3.094 123.107 119.914 0.165 0.000 2.398 181 V HA 0.293 4.409 4.120 -0.006 0.000 0.286 181 V C -0.921 175.313 176.094 0.232 0.000 1.026 181 V CA -0.372 62.030 62.300 0.171 0.000 0.868 181 V CB 1.371 33.275 31.823 0.136 0.000 0.982 181 V HN 0.755 nan 8.190 nan 0.000 0.443 182 D N 3.593 124.120 120.400 0.212 0.000 2.500 182 D HA 0.302 4.939 4.640 -0.006 0.000 0.219 182 D C -0.238 176.182 176.300 0.201 0.000 1.137 182 D CA -0.236 53.927 54.000 0.271 0.000 0.946 182 D CB 1.142 42.151 40.800 0.348 0.000 1.022 182 D HN 0.277 nan 8.370 nan 0.000 0.518 183 V N 3.256 123.293 119.914 0.204 0.000 2.421 183 V HA 0.041 4.157 4.120 -0.006 0.000 0.271 183 V C 0.409 176.577 176.094 0.125 0.000 1.031 183 V CA -0.289 62.086 62.300 0.125 0.000 1.032 183 V CB -0.034 31.841 31.823 0.087 0.000 1.009 183 V HN 0.401 nan 8.190 nan 0.000 0.477 184 L N 8.391 129.648 121.223 0.056 0.000 2.399 184 L HA 0.440 4.776 4.340 -0.006 0.000 0.266 184 L C -2.032 174.869 176.870 0.052 0.000 1.114 184 L CA -1.458 53.368 54.840 -0.024 0.000 0.804 184 L CB 0.485 42.396 42.059 -0.246 0.000 1.146 184 L HN 0.399 nan 8.230 nan 0.000 0.451 185 P HA -0.115 nan 4.420 nan 0.000 0.261 185 P C 0.810 178.266 177.300 0.260 0.000 1.165 185 P CA 0.321 63.574 63.100 0.255 0.000 0.759 185 P CB 0.479 32.347 31.700 0.280 0.000 0.772 186 V N 3.998 124.110 119.914 0.330 0.000 2.568 186 V HA -0.236 3.880 4.120 -0.006 0.000 0.253 186 V C 2.030 178.199 176.094 0.124 0.000 1.072 186 V CA 2.248 64.657 62.300 0.181 0.000 1.084 186 V CB -0.875 31.015 31.823 0.112 0.000 0.676 186 V HN 0.657 nan 8.190 nan 0.000 0.469 187 E N -0.520 119.776 120.200 0.159 0.000 2.150 187 E HA -0.318 4.028 4.350 -0.006 0.000 0.193 187 E C 1.981 178.577 176.600 -0.006 0.000 0.985 187 E CA 2.003 58.430 56.400 0.045 0.000 0.814 187 E CB -0.789 28.934 29.700 0.038 0.000 0.752 187 E HN 0.859 nan 8.360 nan 0.000 0.466 188 H N 1.171 120.187 119.070 -0.090 0.000 2.326 188 H HA 0.013 4.565 4.556 -0.006 0.000 0.301 188 H C 2.256 177.546 175.328 -0.064 0.000 1.081 188 H CA 2.218 58.173 56.048 -0.155 0.000 1.334 188 H CB -0.092 29.465 29.762 -0.341 0.000 1.385 188 H HN 0.088 nan 8.280 nan 0.000 0.504 189 I N 0.097 120.757 120.570 0.151 0.000 2.208 189 I HA -0.280 3.886 4.170 -0.006 0.000 0.245 189 I C 2.555 178.701 176.117 0.048 0.000 1.097 189 I CA 1.193 62.557 61.300 0.108 0.000 1.363 189 I CB -0.291 37.771 38.000 0.104 0.000 1.051 189 I HN 0.331 nan 8.210 nan 0.000 0.413 190 L N -0.416 120.827 121.223 0.035 0.000 2.017 190 L HA -0.285 4.051 4.340 -0.006 0.000 0.208 190 L C 2.656 179.528 176.870 0.003 0.000 1.073 190 L CA 1.697 56.538 54.840 0.002 0.000 0.745 190 L CB -0.375 41.670 42.059 -0.022 0.000 0.894 190 L HN 0.220 nan 8.230 nan 0.000 0.432 191 Y N -0.044 120.174 120.300 -0.136 0.000 2.395 191 Y HA -0.180 4.366 4.550 -0.006 0.000 0.293 191 Y C 2.426 178.229 175.900 -0.162 0.000 1.123 191 Y CA 1.803 59.809 58.100 -0.157 0.000 1.227 191 Y CB -0.259 38.080 38.460 -0.201 0.000 1.012 191 Y HN 0.156 nan 8.280 nan 0.000 0.552 192 T N 0.970 115.439 114.554 -0.141 0.000 2.674 192 T HA -0.222 4.124 4.350 -0.006 0.000 0.265 192 T C 1.638 176.260 174.700 -0.130 0.000 1.039 192 T CA 2.021 64.010 62.100 -0.185 0.000 1.150 192 T CB -0.285 68.505 68.868 -0.130 0.000 0.864 192 T HN 0.486 nan 8.240 nan 0.000 0.427 193 R N 0.617 121.081 120.500 -0.061 0.000 2.323 193 R HA 0.288 4.625 4.340 -0.006 0.000 0.198 193 R C 2.083 178.358 176.300 -0.042 0.000 0.988 193 R CA 0.534 56.630 56.100 -0.007 0.000 1.041 193 R CB -0.444 29.876 30.300 0.034 0.000 0.926 193 R HN 0.326 nan 8.270 nan 0.000 0.476 194 M N 0.001 119.516 119.600 -0.142 0.000 2.193 194 M HA 0.052 4.528 4.480 -0.006 0.000 0.265 194 M C 1.755 177.939 176.300 -0.193 0.000 1.071 194 M CA 1.381 56.567 55.300 -0.190 0.000 1.140 194 M CB 0.032 32.439 32.600 -0.320 0.000 1.369 194 M HN 0.201 nan 8.290 nan 0.000 0.423 195 M N -0.018 119.423 119.600 -0.265 0.000 2.193 195 M HA 0.027 4.503 4.480 -0.006 0.000 0.265 195 M C 1.855 178.235 176.300 0.134 0.000 1.071 195 M CA 1.456 56.678 55.300 -0.129 0.000 1.140 195 M CB -0.582 31.887 32.600 -0.218 0.000 1.369 195 M HN 0.349 nan 8.290 nan 0.000 0.423 196 I N -3.964 116.685 120.570 0.131 0.000 3.947 196 I HA 0.412 4.578 4.170 -0.006 0.000 0.327 196 I C 1.530 177.856 176.117 0.348 0.000 1.519 196 I CA -0.122 61.398 61.300 0.366 0.000 1.122 196 I CB -0.438 37.725 38.000 0.271 0.000 1.146 196 I HN 0.029 nan 8.210 nan 0.000 0.442 197 G N 1.828 110.743 108.800 0.192 0.000 2.421 197 G HA2 -0.265 3.691 3.960 -0.006 0.000 0.216 197 G HA3 -0.265 3.691 3.960 -0.006 0.000 0.216 197 G C 1.678 176.675 174.900 0.162 0.000 1.171 197 G CA 0.860 46.050 45.100 0.150 0.000 0.775 197 G HN 0.366 nan 8.290 nan 0.000 0.543 198 R N -0.479 120.113 120.500 0.154 0.000 2.115 198 R HA 0.025 4.362 4.340 -0.006 0.000 0.230 198 R C 2.149 178.542 176.300 0.155 0.000 1.111 198 R CA 1.046 57.218 56.100 0.119 0.000 0.976 198 R CB -0.634 29.710 30.300 0.073 0.000 0.870 198 R HN 0.372 nan 8.270 nan 0.000 0.445 199 F N -0.213 119.806 119.950 0.116 0.000 2.102 199 F HA -0.236 4.287 4.527 -0.007 0.000 0.298 199 F C 1.935 177.794 175.800 0.097 0.000 1.105 199 F CA 1.574 59.677 58.000 0.172 0.000 1.239 199 F CB -0.653 38.626 39.000 0.464 0.000 0.991 199 F HN 0.021 nan 8.300 nan 0.000 0.474 200 C N 0.740 120.083 119.300 0.072 0.000 2.425 200 C HA -0.060 4.396 4.460 -0.006 0.000 0.277 200 C C 3.161 177.979 174.990 -0.286 0.000 1.280 200 C CA 1.073 59.985 59.018 -0.176 0.000 1.744 200 C CB -1.923 25.858 27.740 0.067 0.000 1.989 200 C HN 0.650 nan 8.230 nan 0.000 0.491 201 A N -0.404 122.407 122.820 -0.016 0.000 1.969 201 A HA -0.202 4.115 4.320 -0.006 0.000 0.218 201 A C 2.050 179.631 177.584 -0.006 0.000 1.169 201 A CA 1.715 53.803 52.037 0.085 0.000 0.635 201 A CB -0.509 18.550 19.000 0.098 0.000 0.810 201 A HN 0.580 nan 8.150 nan 0.000 0.445 202 Q N -0.955 118.787 119.800 -0.097 0.000 2.123 202 Q HA -0.006 4.330 4.340 -0.006 0.000 0.199 202 Q C 2.121 177.999 176.000 -0.203 0.000 0.966 202 Q CA 1.371 57.103 55.803 -0.119 0.000 0.845 202 Q CB -0.260 28.411 28.738 -0.112 0.000 0.907 202 Q HN 0.609 nan 8.270 nan 0.000 0.439 203 M N -0.826 118.535 119.600 -0.399 0.000 2.080 203 M HA -0.225 4.251 4.480 -0.006 0.000 0.260 203 M C 1.828 177.990 176.300 -0.230 0.000 1.068 203 M CA 1.857 56.900 55.300 -0.429 0.000 1.109 203 M CB -0.823 31.388 32.600 -0.648 0.000 1.342 203 M HN 0.438 nan 8.290 nan 0.000 0.405 204 H N -0.917 118.107 119.070 -0.076 0.000 2.326 204 H HA -0.045 4.507 4.556 -0.007 0.000 0.301 204 H C 2.329 177.667 175.328 0.016 0.000 1.081 204 H CA 1.593 57.636 56.048 -0.008 0.000 1.334 204 H CB -0.015 29.753 29.762 0.011 0.000 1.385 204 H HN 0.315 nan 8.280 nan 0.000 0.504 205 S N 0.208 115.977 115.700 0.115 0.000 2.402 205 S HA -0.070 4.396 4.470 -0.006 0.000 0.229 205 S C 1.409 176.039 174.600 0.049 0.000 1.021 205 S CA 0.773 59.017 58.200 0.073 0.000 0.974 205 S CB 0.003 63.230 63.200 0.045 0.000 0.800 205 S HN 0.469 nan 8.310 nan 0.000 0.484 206 N N 2.233 120.944 118.700 0.017 0.000 2.251 206 N HA 0.068 4.805 4.740 -0.006 0.000 0.217 206 N C -0.439 175.092 175.510 0.034 0.000 1.124 206 N CA -0.139 52.915 53.050 0.007 0.000 0.843 206 N CB 0.015 38.478 38.487 -0.040 0.000 1.024 206 N HN 0.598 nan 8.380 nan 0.000 0.501 207 N N 0.675 119.426 118.700 0.086 0.000 2.356 207 N HA 0.205 4.941 4.740 -0.006 0.000 0.252 207 N C 0.475 176.111 175.510 0.210 0.000 1.241 207 N CA 0.455 53.593 53.050 0.146 0.000 0.861 207 N CB 0.639 39.270 38.487 0.239 0.000 1.075 207 N HN 0.063 nan 8.380 nan 0.000 0.461 208 G N 0.702 109.598 108.800 0.161 0.000 2.341 208 G HA2 0.125 4.081 3.960 -0.006 0.000 0.293 208 G HA3 0.125 4.081 3.960 -0.006 0.000 0.293 208 G C -2.629 172.246 174.900 -0.042 0.000 1.298 208 G CA -0.601 44.596 45.100 0.161 0.000 0.868 208 G HN 0.417 nan 8.290 nan 0.000 0.540 209 P HA -0.039 nan 4.420 nan 0.000 0.226 209 P C 1.301 178.486 177.300 -0.191 0.000 1.153 209 P CA 1.029 63.966 63.100 -0.271 0.000 0.777 209 P CB 0.417 31.628 31.700 -0.815 0.000 0.794 210 Q N 1.258 120.974 119.800 -0.141 0.000 2.049 210 Q HA -0.094 4.242 4.340 -0.006 0.000 0.198 210 Q C 2.128 178.095 176.000 -0.055 0.000 0.971 210 Q CA 1.436 57.187 55.803 -0.086 0.000 0.833 210 Q CB -1.071 27.628 28.738 -0.065 0.000 0.896 210 Q HN 0.372 nan 8.270 nan 0.000 0.434 211 I N -4.406 116.139 120.570 -0.041 0.000 3.419 211 I HA 0.385 4.551 4.170 -0.006 0.000 0.286 211 I C 1.170 177.351 176.117 0.107 0.000 1.268 211 I CA 0.631 61.917 61.300 -0.023 0.000 1.414 211 I CB -0.248 37.710 38.000 -0.071 0.000 1.074 211 I HN 0.237 nan 8.210 nan 0.000 0.457 212 G N 1.632 110.470 108.800 0.063 0.000 2.198 212 G HA2 -0.263 3.693 3.960 -0.006 0.000 0.257 212 G HA3 -0.263 3.693 3.960 -0.006 0.000 0.257 212 G C 0.134 175.078 174.900 0.074 0.000 1.042 212 G CA 0.389 45.540 45.100 0.085 0.000 0.791 212 G HN 0.641 nan 8.290 nan 0.000 0.502 213 S N -1.094 114.630 115.700 0.039 0.000 2.571 213 S HA 0.768 5.234 4.470 -0.006 0.000 0.284 213 S C 0.609 175.239 174.600 0.051 0.000 1.128 213 S CA 0.552 58.775 58.200 0.039 0.000 0.970 213 S CB 1.599 64.805 63.200 0.009 0.000 1.039 213 S HN 1.634 nan 8.310 nan 0.000 0.485 214 A N 3.939 126.834 122.820 0.126 0.000 2.465 214 A HA 0.448 4.764 4.320 -0.006 0.000 0.255 214 A C 0.106 177.880 177.584 0.317 0.000 1.274 214 A CA -0.101 52.109 52.037 0.288 0.000 0.920 214 A CB -0.017 19.313 19.000 0.551 0.000 1.033 214 A HN 0.686 nan 8.150 nan 0.000 0.516 215 V N 0.441 120.337 119.914 -0.030 0.000 2.470 215 V HA 0.501 4.617 4.120 -0.006 0.000 0.276 215 V C 1.448 177.706 176.094 0.273 0.000 1.040 215 V CA 1.022 63.237 62.300 -0.142 0.000 1.008 215 V CB 0.113 31.747 31.823 -0.315 0.000 0.990 215 V HN 1.007 nan 8.190 nan 0.000 0.477 216 G N 3.085 112.091 108.800 0.343 0.000 2.201 216 G HA2 -0.227 3.729 3.960 -0.006 0.000 0.212 216 G HA3 -0.227 3.729 3.960 -0.006 0.000 0.212 216 G C 0.441 175.489 174.900 0.247 0.000 0.994 216 G CA -0.135 45.119 45.100 0.256 0.000 0.644 216 G HN 1.222 nan 8.290 nan 0.000 0.508 217 C N 0.093 119.608 119.300 0.359 0.000 2.656 217 C HA 0.750 5.206 4.460 -0.006 0.000 0.391 217 C C 0.546 175.701 174.990 0.275 0.000 1.300 217 C CA -0.641 58.613 59.018 0.393 0.000 2.302 217 C CB 1.179 29.332 27.740 0.687 0.000 2.655 217 C HN 0.494 nan 8.230 nan 0.000 0.656 218 N N 2.896 121.720 118.700 0.206 0.000 2.706 218 N HA 0.369 5.105 4.740 -0.006 0.000 0.240 218 N C -1.308 174.278 175.510 0.128 0.000 1.039 218 N CA -2.430 50.694 53.050 0.123 0.000 0.888 218 N CB 1.006 39.531 38.487 0.064 0.000 1.128 218 N HN 0.532 nan 8.380 nan 0.000 0.512 219 P HA -0.150 nan 4.420 nan 0.000 0.218 219 P C 0.545 177.759 177.300 -0.143 0.000 1.146 219 P CA 1.094 64.161 63.100 -0.055 0.000 0.813 219 P CB 0.572 31.966 31.700 -0.510 0.000 0.778 220 D N -0.448 119.925 120.400 -0.044 0.000 2.178 220 D HA -0.116 4.520 4.640 -0.006 0.000 0.202 220 D C 1.808 178.218 176.300 0.184 0.000 0.974 220 D CA 1.254 55.311 54.000 0.096 0.000 0.841 220 D CB 0.005 40.902 40.800 0.162 0.000 0.953 220 D HN 0.109 nan 8.370 nan 0.000 0.478 221 V N -3.597 116.362 119.914 0.075 0.000 3.455 221 V HA 0.190 4.306 4.120 -0.006 0.000 0.250 221 V C 1.099 177.177 176.094 -0.027 0.000 1.230 221 V CA 0.388 62.678 62.300 -0.018 0.000 1.105 221 V CB 0.219 31.994 31.823 -0.079 0.000 0.850 221 V HN -0.153 nan 8.190 nan 0.000 0.461 222 D N -0.433 119.958 120.400 -0.015 0.000 2.347 222 D HA -0.021 4.615 4.640 -0.006 0.000 0.213 222 D C 1.728 177.836 176.300 -0.320 0.000 0.985 222 D CA 0.658 54.473 54.000 -0.308 0.000 0.879 222 D CB -0.156 40.389 40.800 -0.424 0.000 0.919 222 D HN 0.637 nan 8.370 nan 0.000 0.526 223 W N 1.200 122.415 121.300 -0.142 0.000 2.392 223 W HA -0.155 4.501 4.660 -0.007 0.000 0.279 223 W C 2.118 178.774 176.519 0.228 0.000 1.225 223 W CA 0.348 57.756 57.345 0.105 0.000 1.233 223 W CB 0.251 29.718 29.460 0.012 0.000 1.122 223 W HN 0.026 nan 8.180 nan 0.000 0.561 224 Q N 0.404 120.397 119.800 0.321 0.000 2.083 224 Q HA -0.164 4.173 4.340 -0.006 0.000 0.198 224 Q C 2.228 178.324 176.000 0.159 0.000 0.969 224 Q CA 1.202 57.196 55.803 0.319 0.000 0.838 224 Q CB -0.475 28.363 28.738 0.166 0.000 0.900 224 Q HN 0.239 nan 8.270 nan 0.000 0.436 225 R N -0.562 119.931 120.500 -0.012 0.000 2.075 225 R HA -0.101 4.236 4.340 -0.006 0.000 0.232 225 R C 2.130 178.495 176.300 0.108 0.000 1.126 225 R CA 1.082 57.165 56.100 -0.027 0.000 0.963 225 R CB -0.115 30.082 30.300 -0.172 0.000 0.858 225 R HN 0.182 nan 8.270 nan 0.000 0.435 226 F N -0.383 119.630 119.950 0.106 0.000 2.163 226 F HA 0.083 4.607 4.527 -0.006 0.000 0.297 226 F C 2.506 178.259 175.800 -0.078 0.000 1.094 226 F CA 0.997 59.031 58.000 0.058 0.000 1.290 226 F CB -1.408 37.590 39.000 -0.002 0.000 1.017 226 F HN 0.124 nan 8.300 nan 0.000 0.483 227 G N -0.267 108.483 108.800 -0.083 0.000 2.442 227 G HA2 -0.253 3.703 3.960 -0.006 0.000 0.219 227 G HA3 -0.253 3.703 3.960 -0.006 0.000 0.219 227 G C 1.673 176.204 174.900 -0.615 0.000 1.141 227 G CA 1.682 46.283 45.100 -0.832 0.000 0.763 227 G HN 0.431 nan 8.290 nan 0.000 0.554 228 T N -2.106 112.360 114.554 -0.145 0.000 2.857 228 T HA -0.076 4.270 4.350 -0.006 0.000 0.266 228 T C 2.048 176.800 174.700 0.086 0.000 1.048 228 T CA 1.478 63.634 62.100 0.095 0.000 1.139 228 T CB -0.413 68.567 68.868 0.187 0.000 0.874 228 T HN 0.454 nan 8.240 nan 0.000 0.455 229 H N 0.418 119.500 119.070 0.019 0.000 2.326 229 H HA 0.108 4.660 4.556 -0.006 0.000 0.301 229 H C 1.389 176.681 175.328 -0.061 0.000 1.081 229 H CA 1.466 57.496 56.048 -0.029 0.000 1.334 229 H CB -0.451 29.267 29.762 -0.075 0.000 1.385 229 H HN 0.413 nan 8.280 nan 0.000 0.504 230 F N -0.359 119.594 119.950 0.006 0.000 2.780 230 F HA 0.208 4.731 4.527 -0.006 0.000 0.299 230 F C 2.395 178.170 175.800 -0.042 0.000 1.146 230 F CA 0.543 58.507 58.000 -0.060 0.000 1.428 230 F CB 0.015 38.860 39.000 -0.259 0.000 1.115 230 F HN 0.310 nan 8.300 nan 0.000 0.583 231 A N -0.490 122.378 122.820 0.080 0.000 2.067 231 A HA -0.136 4.180 4.320 -0.006 0.000 0.217 231 A C 2.033 179.634 177.584 0.029 0.000 1.156 231 A CA 0.867 52.944 52.037 0.067 0.000 0.683 231 A CB -0.438 18.632 19.000 0.116 0.000 0.808 231 A HN 0.378 nan 8.150 nan 0.000 0.455 232 Q N -1.481 118.301 119.800 -0.031 0.000 2.291 232 Q HA -0.045 4.291 4.340 -0.006 0.000 0.205 232 Q C -0.388 175.458 176.000 -0.257 0.000 0.970 232 Q CA 0.596 56.287 55.803 -0.186 0.000 0.876 232 Q CB -0.102 28.422 28.738 -0.356 0.000 0.935 232 Q HN 0.761 nan 8.270 nan 0.000 0.455 233 Y N -0.334 119.894 120.300 -0.120 0.000 2.307 233 Y HA 0.140 4.686 4.550 -0.006 0.000 0.324 233 Y C 1.387 177.245 175.900 -0.071 0.000 1.238 233 Y CA -0.620 57.426 58.100 -0.090 0.000 1.280 233 Y CB 0.689 39.108 38.460 -0.070 0.000 1.248 233 Y HN -0.172 nan 8.280 nan 0.000 0.508 234 R N 0.794 121.348 120.500 0.090 0.000 2.066 234 R HA -0.019 4.318 4.340 -0.006 0.000 0.232 234 R C -0.439 175.840 176.300 -0.035 0.000 1.131 234 R CA 1.056 57.166 56.100 0.016 0.000 0.955 234 R CB -0.182 30.129 30.300 0.017 0.000 0.851 234 R HN 0.690 nan 8.270 nan 0.000 0.432 235 N N 0.431 119.086 118.700 -0.075 0.000 2.296 235 N HA 0.271 5.007 4.740 -0.006 0.000 0.294 235 N C -1.248 173.930 175.510 -0.552 0.000 1.033 235 N CA -0.308 52.492 53.050 -0.416 0.000 0.839 235 N CB 3.168 41.268 38.487 -0.645 0.000 1.395 235 N HN -0.218 nan 8.380 nan 0.000 0.479 236 V N 1.850 121.402 119.914 -0.603 0.000 2.604 236 V HA 0.512 4.629 4.120 -0.006 0.000 0.305 236 V C -0.639 175.128 176.094 -0.545 0.000 1.043 236 V CA -0.762 61.316 62.300 -0.371 0.000 0.888 236 V CB 2.336 34.076 31.823 -0.138 0.000 0.995 236 V HN 0.566 nan 8.190 nan 0.000 0.429 237 W N 1.394 122.594 121.300 -0.166 0.000 2.689 237 W HA 0.452 5.108 4.660 -0.006 0.000 0.340 237 W C -0.723 175.669 176.519 -0.211 0.000 1.060 237 W CA -0.557 56.616 57.345 -0.287 0.000 1.218 237 W CB 2.135 31.164 29.460 -0.718 0.000 1.410 237 W HN 0.484 nan 8.180 nan 0.000 0.528 238 D N 2.301 122.746 120.400 0.074 0.000 2.458 238 D HA 0.309 4.945 4.640 -0.006 0.000 0.258 238 D C -0.618 175.727 176.300 0.075 0.000 1.134 238 D CA -0.128 53.905 54.000 0.055 0.000 0.915 238 D CB 0.738 41.570 40.800 0.054 0.000 1.028 238 D HN -0.120 nan 8.370 nan 0.000 0.508 239 V N 2.282 122.221 119.914 0.042 0.000 2.649 239 V HA 0.368 4.484 4.120 -0.006 0.000 0.292 239 V C 0.397 176.433 176.094 -0.097 0.000 1.055 239 V CA -0.525 61.771 62.300 -0.007 0.000 1.023 239 V CB 1.661 33.379 31.823 -0.175 0.000 0.992 239 V HN 0.375 nan 8.190 nan 0.000 0.480 240 D N 1.239 121.534 120.400 -0.175 0.000 2.646 240 D HA 0.536 5.172 4.640 -0.006 0.000 0.245 240 D C -1.394 174.740 176.300 -0.275 0.000 1.099 240 D CA -0.263 53.646 54.000 -0.150 0.000 0.849 240 D CB 1.458 42.211 40.800 -0.079 0.000 1.448 240 D HN 0.405 nan 8.370 nan 0.000 0.489 241 Y N 0.556 120.847 120.300 -0.016 0.000 2.487 241 Y HA 0.470 5.016 4.550 -0.007 0.000 0.337 241 Y C 0.398 176.330 175.900 0.053 0.000 1.076 241 Y CA -0.849 57.270 58.100 0.032 0.000 1.115 241 Y CB 2.195 40.704 38.460 0.081 0.000 1.235 241 Y HN 0.202 nan 8.280 nan 0.000 0.468 242 S N 2.241 118.085 115.700 0.239 0.000 2.423 242 S HA 0.558 5.024 4.470 -0.006 0.000 0.317 242 S C -0.219 174.457 174.600 0.128 0.000 1.065 242 S CA -0.070 58.211 58.200 0.134 0.000 1.111 242 S CB -0.500 62.744 63.200 0.074 0.000 0.968 242 S HN 1.132 nan 8.310 nan 0.000 0.474 243 A N 4.473 127.354 122.820 0.102 0.000 2.251 243 A HA -0.208 4.108 4.320 -0.006 0.000 0.283 243 A C 0.615 178.231 177.584 0.053 0.000 1.415 243 A CA 0.742 52.810 52.037 0.052 0.000 0.742 243 A CB -2.387 16.595 19.000 -0.030 0.000 1.151 243 A HN 1.174 nan 8.150 nan 0.000 0.354 244 F N 0.826 120.744 119.950 -0.054 0.000 2.161 244 F HA -0.131 4.393 4.527 -0.006 0.000 0.300 244 F C 1.613 177.175 175.800 -0.396 0.000 1.089 244 F CA 2.577 60.463 58.000 -0.190 0.000 1.282 244 F CB -0.023 38.901 39.000 -0.126 0.000 1.010 244 F HN 0.572 nan 8.300 nan 0.000 0.485 245 D N 0.150 120.459 120.400 -0.152 0.000 2.084 245 D HA -0.086 4.550 4.640 -0.006 0.000 0.196 245 D C 2.343 178.547 176.300 -0.160 0.000 0.985 245 D CA 1.598 55.532 54.000 -0.111 0.000 0.826 245 D CB -0.766 40.089 40.800 0.091 0.000 0.978 245 D HN 0.299 nan 8.370 nan 0.000 0.456 246 A N 0.430 123.169 122.820 -0.134 0.000 2.067 246 A HA -0.090 4.226 4.320 -0.006 0.000 0.219 246 A C 1.576 179.104 177.584 -0.094 0.000 1.158 246 A CA 0.953 52.934 52.037 -0.094 0.000 0.661 246 A CB -0.196 18.667 19.000 -0.229 0.000 0.801 246 A HN 0.114 nan 8.150 nan 0.000 0.452 247 N N 0.052 118.614 118.700 -0.230 0.000 2.230 247 N HA 0.015 4.752 4.740 -0.006 0.000 0.202 247 N C -0.639 174.734 175.510 -0.228 0.000 1.119 247 N CA 0.022 52.957 53.050 -0.191 0.000 0.851 247 N CB -0.007 38.392 38.487 -0.147 0.000 0.990 247 N HN 0.476 nan 8.380 nan 0.000 0.497 248 H N 1.240 120.239 119.070 -0.118 0.000 3.017 248 H HA 0.045 4.597 4.556 -0.006 0.000 0.276 248 H C 0.949 176.230 175.328 -0.079 0.000 1.062 248 H CA -0.452 55.533 56.048 -0.104 0.000 1.486 248 H CB 0.003 29.689 29.762 -0.127 0.000 1.507 248 H HN 0.217 nan 8.280 nan 0.000 0.508 249 C N 2.082 121.381 119.300 -0.002 0.000 2.652 249 C HA 0.145 4.601 4.460 -0.006 0.000 0.412 249 C C 2.073 177.022 174.990 -0.069 0.000 1.294 249 C CA -0.740 58.245 59.018 -0.054 0.000 2.127 249 C CB 0.358 28.031 27.740 -0.112 0.000 2.691 249 C HN 0.782 nan 8.230 nan 0.000 0.615 250 S N 1.298 116.972 115.700 -0.044 0.000 2.400 250 S HA -0.156 4.310 4.470 -0.006 0.000 0.232 250 S C 1.446 176.003 174.600 -0.071 0.000 1.025 250 S CA 2.042 60.223 58.200 -0.031 0.000 0.993 250 S CB -0.366 62.829 63.200 -0.009 0.000 0.808 250 S HN 0.875 nan 8.310 nan 0.000 0.478 251 D N 1.709 122.040 120.400 -0.114 0.000 2.097 251 D HA -0.003 4.633 4.640 -0.006 0.000 0.195 251 D C 2.175 178.311 176.300 -0.273 0.000 0.989 251 D CA 1.324 55.233 54.000 -0.152 0.000 0.827 251 D CB -0.481 40.223 40.800 -0.159 0.000 0.966 251 D HN 0.408 nan 8.370 nan 0.000 0.456 252 A N 0.417 122.970 122.820 -0.445 0.000 1.930 252 A HA -0.102 4.214 4.320 -0.006 0.000 0.217 252 A C 2.270 179.631 177.584 -0.372 0.000 1.175 252 A CA 1.049 52.616 52.037 -0.784 0.000 0.627 252 A CB -0.441 18.050 19.000 -0.849 0.000 0.815 252 A HN 0.122 nan 8.150 nan 0.000 0.443 253 M N -0.384 119.043 119.600 -0.289 0.000 2.059 253 M HA -0.153 4.324 4.480 -0.006 0.000 0.259 253 M C 1.950 177.981 176.300 -0.449 0.000 1.072 253 M CA 1.464 56.512 55.300 -0.419 0.000 1.117 253 M CB -0.558 31.935 32.600 -0.178 0.000 1.320 253 M HN 0.398 nan 8.290 nan 0.000 0.408 254 N N 0.740 119.385 118.700 -0.091 0.000 2.104 254 N HA -0.118 4.619 4.740 -0.006 0.000 0.190 254 N C 1.677 177.238 175.510 0.085 0.000 1.024 254 N CA 1.454 54.559 53.050 0.092 0.000 0.853 254 N CB -0.353 38.188 38.487 0.089 0.000 1.008 254 N HN 0.375 nan 8.380 nan 0.000 0.424 255 I N 0.865 121.459 120.570 0.040 0.000 2.252 255 I HA -0.220 3.946 4.170 -0.006 0.000 0.245 255 I C 2.571 178.783 176.117 0.159 0.000 1.102 255 I CA 0.766 62.147 61.300 0.135 0.000 1.385 255 I CB -0.161 37.967 38.000 0.213 0.000 1.064 255 I HN 0.148 nan 8.210 nan 0.000 0.414 256 M N 0.647 120.309 119.600 0.103 0.000 2.080 256 M HA -0.241 4.235 4.480 -0.006 0.000 0.260 256 M C 2.285 178.654 176.300 0.115 0.000 1.068 256 M CA 2.218 57.540 55.300 0.036 0.000 1.109 256 M CB -0.535 31.994 32.600 -0.119 0.000 1.342 256 M HN 0.107 nan 8.290 nan 0.000 0.405 257 F N 0.884 120.952 119.950 0.196 0.000 2.216 257 F HA -0.132 4.390 4.527 -0.007 0.000 0.300 257 F C 2.355 178.273 175.800 0.197 0.000 1.085 257 F CA 1.176 59.311 58.000 0.224 0.000 1.326 257 F CB -1.132 37.915 39.000 0.078 0.000 1.027 257 F HN 0.309 nan 8.300 nan 0.000 0.497 258 E N -0.382 120.005 120.200 0.313 0.000 2.208 258 E HA -0.136 4.210 4.350 -0.006 0.000 0.193 258 E C 1.947 178.662 176.600 0.193 0.000 0.988 258 E CA 0.908 57.439 56.400 0.219 0.000 0.828 258 E CB 0.041 29.843 29.700 0.170 0.000 0.763 258 E HN 0.329 nan 8.360 nan 0.000 0.478 259 E N -0.278 120.037 120.200 0.192 0.000 2.201 259 E HA -0.010 4.336 4.350 -0.006 0.000 0.193 259 E C 2.163 178.896 176.600 0.222 0.000 0.957 259 E CA 0.372 56.885 56.400 0.189 0.000 0.858 259 E CB 0.380 30.164 29.700 0.140 0.000 0.816 259 E HN 0.084 nan 8.360 nan 0.000 0.475 260 V N 0.357 120.321 119.914 0.085 0.000 2.379 260 V HA -0.069 4.047 4.120 -0.006 0.000 0.243 260 V C 1.100 177.005 176.094 -0.314 0.000 1.035 260 V CA 1.103 63.296 62.300 -0.178 0.000 1.035 260 V CB -0.316 31.192 31.823 -0.526 0.000 0.673 260 V HN 0.077 nan 8.190 nan 0.000 0.457 261 F N 1.322 121.187 119.950 -0.143 0.000 2.980 261 F HA 0.386 4.909 4.527 -0.006 0.000 0.299 261 F C 1.052 176.746 175.800 -0.177 0.000 1.211 261 F CA -0.451 57.185 58.000 -0.608 0.000 1.328 261 F CB -0.514 38.039 39.000 -0.746 0.000 1.154 261 F HN -0.034 nan 8.300 nan 0.000 0.528 262 R N -0.370 120.261 120.500 0.218 0.000 2.615 262 R HA 0.167 4.503 4.340 -0.006 0.000 0.270 262 R C 1.578 177.977 176.300 0.165 0.000 1.081 262 R CA 0.454 56.633 56.100 0.133 0.000 1.154 262 R CB 0.508 30.768 30.300 -0.066 0.000 1.063 262 R HN 0.315 nan 8.270 nan 0.000 0.519 263 T N -1.950 112.637 114.554 0.055 0.000 3.035 263 T HA -0.068 4.278 4.350 -0.006 0.000 0.268 263 T C 1.169 175.826 174.700 -0.072 0.000 1.109 263 T CA 0.804 62.926 62.100 0.037 0.000 1.119 263 T CB -0.023 68.840 68.868 -0.008 0.000 0.900 263 T HN 0.513 nan 8.240 nan 0.000 0.503 264 E N 0.968 121.025 120.200 -0.238 0.000 2.153 264 E HA 0.039 4.385 4.350 -0.006 0.000 0.194 264 E C 0.847 177.209 176.600 -0.396 0.000 0.988 264 E CA 0.917 57.079 56.400 -0.397 0.000 0.811 264 E CB -0.406 28.911 29.700 -0.638 0.000 0.746 264 E HN 0.645 nan 8.360 nan 0.000 0.466 265 F N -0.853 119.056 119.950 -0.068 0.000 2.692 265 F HA 0.350 4.872 4.527 -0.007 0.000 0.303 265 F C 1.478 177.122 175.800 -0.260 0.000 1.114 265 F CA 0.348 58.221 58.000 -0.212 0.000 1.361 265 F CB 0.362 39.052 39.000 -0.517 0.000 1.063 265 F HN 0.061 nan 8.300 nan 0.000 0.550 266 G N -0.568 108.202 108.800 -0.050 0.000 2.159 266 G HA2 -0.266 3.690 3.960 -0.006 0.000 0.227 266 G HA3 -0.266 3.690 3.960 -0.006 0.000 0.227 266 G C 0.133 174.928 174.900 -0.174 0.000 0.986 266 G CA -0.673 44.347 45.100 -0.134 0.000 0.651 266 G HN 0.199 nan 8.290 nan 0.000 0.523 267 F N 1.200 121.175 119.950 0.042 0.000 2.371 267 F HA 0.522 5.046 4.527 -0.006 0.000 0.329 267 F C 1.277 177.125 175.800 0.081 0.000 1.107 267 F CA -0.713 57.340 58.000 0.087 0.000 1.137 267 F CB 0.624 39.702 39.000 0.130 0.000 1.214 267 F HN 0.077 nan 8.300 nan 0.000 0.536 268 H N 4.734 123.941 119.070 0.229 0.000 2.732 268 H HA 0.066 4.618 4.556 -0.007 0.000 0.351 268 H C -1.586 173.825 175.328 0.138 0.000 1.090 268 H CA -1.482 54.643 56.048 0.128 0.000 1.431 268 H CB 1.562 31.370 29.762 0.077 0.000 1.447 268 H HN 0.280 nan 8.280 nan 0.000 0.582 269 P HA -0.151 nan 4.420 nan 0.000 0.221 269 P C 0.292 177.730 177.300 0.230 0.000 1.141 269 P CA 1.158 64.289 63.100 0.053 0.000 0.794 269 P CB 0.390 32.040 31.700 -0.084 0.000 0.764 270 N N -1.063 117.923 118.700 0.476 0.000 2.268 270 N HA 0.170 4.906 4.740 -0.006 0.000 0.204 270 N C 1.372 177.073 175.510 0.319 0.000 1.124 270 N CA 0.241 53.551 53.050 0.434 0.000 0.838 270 N CB -0.342 38.407 38.487 0.436 0.000 0.994 270 N HN 0.082 nan 8.380 nan 0.000 0.489 271 A N 0.322 123.267 122.820 0.208 0.000 1.903 271 A HA -0.047 4.269 4.320 -0.006 0.000 0.213 271 A C 2.039 179.544 177.584 -0.132 0.000 1.185 271 A CA 0.859 52.901 52.037 0.008 0.000 0.628 271 A CB -0.202 18.834 19.000 0.061 0.000 0.830 271 A HN 0.326 nan 8.150 nan 0.000 0.446 272 E N -1.433 118.777 120.200 0.015 0.000 2.106 272 E HA -0.223 4.124 4.350 -0.006 0.000 0.192 272 E C 1.779 178.388 176.600 0.015 0.000 0.984 272 E CA 1.269 57.680 56.400 0.017 0.000 0.806 272 E CB -0.249 29.532 29.700 0.136 0.000 0.750 272 E HN 0.767 nan 8.360 nan 0.000 0.458 273 W N 0.847 122.125 121.300 -0.037 0.000 2.379 273 W HA -0.158 4.498 4.660 -0.006 0.000 0.307 273 W C 1.955 178.454 176.519 -0.034 0.000 1.200 273 W CA 1.204 58.547 57.345 -0.003 0.000 1.297 273 W CB -0.414 29.081 29.460 0.059 0.000 1.140 273 W HN 0.140 nan 8.180 nan 0.000 0.507 274 I N 0.761 121.272 120.570 -0.099 0.000 2.454 274 I HA -0.234 3.932 4.170 -0.006 0.000 0.254 274 I C 2.079 177.927 176.117 -0.448 0.000 1.156 274 I CA 1.689 62.756 61.300 -0.388 0.000 1.433 274 I CB -0.450 37.510 38.000 -0.067 0.000 1.082 274 I HN 0.067 nan 8.210 nan 0.000 0.432 275 L N -0.563 120.317 121.223 -0.572 0.000 2.270 275 L HA -0.059 4.277 4.340 -0.006 0.000 0.210 275 L C 2.295 178.612 176.870 -0.921 0.000 1.104 275 L CA 0.681 54.965 54.840 -0.927 0.000 0.804 275 L CB -0.528 40.574 42.059 -1.596 0.000 0.937 275 L HN 0.049 nan 8.230 nan 0.000 0.450 276 K N -0.129 119.920 120.400 -0.585 0.000 2.283 276 K HA -0.108 4.208 4.320 -0.006 0.000 0.202 276 K C 2.043 178.539 176.600 -0.173 0.000 1.048 276 K CA 1.642 57.798 56.287 -0.217 0.000 0.948 276 K CB -0.089 32.363 32.500 -0.080 0.000 0.742 276 K HN 0.434 nan 8.250 nan 0.000 0.458 277 T N -0.818 113.569 114.554 -0.278 0.000 3.007 277 T HA -0.037 4.309 4.350 -0.006 0.000 0.270 277 T C 1.710 176.432 174.700 0.038 0.000 1.107 277 T CA 0.625 62.642 62.100 -0.138 0.000 1.118 277 T CB -0.198 68.654 68.868 -0.026 0.000 0.889 277 T HN 0.092 nan 8.240 nan 0.000 0.506 278 L N 0.666 121.919 121.223 0.051 0.000 2.478 278 L HA 0.100 4.436 4.340 -0.006 0.000 0.223 278 L C 2.577 179.515 176.870 0.114 0.000 1.140 278 L CA 0.023 54.930 54.840 0.112 0.000 0.842 278 L CB -0.450 41.670 42.059 0.101 0.000 0.953 278 L HN 0.151 nan 8.230 nan 0.000 0.452 279 V N -0.115 119.857 119.914 0.096 0.000 2.255 279 V HA -0.191 3.925 4.120 -0.006 0.000 0.243 279 V C 0.522 176.638 176.094 0.038 0.000 1.038 279 V CA 1.442 63.802 62.300 0.100 0.000 1.008 279 V CB -0.499 31.387 31.823 0.106 0.000 0.645 279 V HN 0.541 nan 8.190 nan 0.000 0.449 280 N N 0.866 119.552 118.700 -0.023 0.000 2.546 280 N HA 0.413 5.149 4.740 -0.006 0.000 0.238 280 N C -0.414 175.001 175.510 -0.159 0.000 0.984 280 N CA -0.127 52.880 53.050 -0.073 0.000 0.935 280 N CB 1.171 39.609 38.487 -0.081 0.000 1.122 280 N HN 0.502 nan 8.380 nan 0.000 0.510 281 T N -1.453 113.013 114.554 -0.146 0.000 2.940 281 T HA 0.409 4.755 4.350 -0.006 0.000 0.288 281 T C -0.380 174.127 174.700 -0.322 0.000 1.033 281 T CA -0.935 60.996 62.100 -0.281 0.000 1.033 281 T CB 2.201 70.921 68.868 -0.247 0.000 1.079 281 T HN 0.301 nan 8.240 nan 0.000 0.496 282 E N 0.607 120.551 120.200 -0.427 0.000 2.158 282 E HA 0.244 4.590 4.350 -0.006 0.000 0.271 282 E C -0.999 175.384 176.600 -0.362 0.000 0.911 282 E CA -0.824 55.388 56.400 -0.313 0.000 0.767 282 E CB 0.686 30.228 29.700 -0.263 0.000 1.120 282 E HN 0.657 nan 8.360 nan 0.000 0.405 283 H N 2.015 121.054 119.070 -0.051 0.000 2.511 283 H HA 0.372 4.923 4.556 -0.008 0.000 0.328 283 H C -0.826 174.511 175.328 0.016 0.000 1.044 283 H CA -0.602 55.455 56.048 0.015 0.000 1.212 283 H CB 1.752 31.535 29.762 0.034 0.000 1.428 283 H HN 0.490 nan 8.280 nan 0.000 0.483 284 A N 4.710 127.627 122.820 0.162 0.000 2.366 284 A HA 0.210 4.526 4.320 -0.006 0.000 0.322 284 A C -1.108 176.593 177.584 0.194 0.000 1.397 284 A CA -0.415 51.689 52.037 0.111 0.000 0.984 284 A CB -0.350 18.675 19.000 0.042 0.000 1.149 284 A HN 0.661 nan 8.150 nan 0.000 0.540 285 Y N 3.143 123.471 120.300 0.047 0.000 2.575 285 Y HA 0.336 4.882 4.550 -0.008 0.000 0.326 285 Y C 0.736 176.658 175.900 0.037 0.000 0.979 285 Y CA -0.253 57.902 58.100 0.092 0.000 1.286 285 Y CB 0.034 38.627 38.460 0.222 0.000 1.093 285 Y HN 1.055 nan 8.280 nan 0.000 0.501 286 E N 1.272 121.292 120.200 -0.299 0.000 3.289 286 E HA -0.456 3.890 4.350 -0.006 0.000 0.386 286 E C 0.834 177.367 176.600 -0.112 0.000 1.526 286 E CA 1.758 58.008 56.400 -0.250 0.000 1.519 286 E CB -0.791 28.710 29.700 -0.331 0.000 1.657 286 E HN 0.808 nan 8.360 nan 0.000 0.479 287 N N 2.400 121.057 118.700 -0.072 0.000 2.396 287 N HA -0.075 4.661 4.740 -0.006 0.000 0.180 287 N C 0.135 175.635 175.510 -0.016 0.000 1.028 287 N CA 1.089 54.117 53.050 -0.037 0.000 0.893 287 N CB 0.041 38.514 38.487 -0.023 0.000 0.967 287 N HN 0.107 nan 8.380 nan 0.000 0.440 288 K N 1.260 121.671 120.400 0.017 0.000 2.249 288 K HA 0.218 4.534 4.320 -0.006 0.000 0.280 288 K C -0.343 176.254 176.600 -0.005 0.000 1.033 288 K CA -0.184 56.110 56.287 0.011 0.000 0.946 288 K CB 1.288 33.811 32.500 0.038 0.000 1.005 288 K HN 0.155 nan 8.250 nan 0.000 0.469 289 R N 2.841 123.316 120.500 -0.041 0.000 2.412 289 R HA 0.335 4.671 4.340 -0.006 0.000 0.304 289 R C -0.377 175.876 176.300 -0.079 0.000 1.066 289 R CA -0.326 55.746 56.100 -0.048 0.000 0.923 289 R CB 0.536 30.805 30.300 -0.052 0.000 1.156 289 R HN 0.586 nan 8.270 nan 0.000 0.513 290 I N -0.683 119.832 120.570 -0.091 0.000 2.378 290 I HA 0.513 4.679 4.170 -0.006 0.000 0.291 290 I C -0.306 175.761 176.117 -0.083 0.000 0.992 290 I CA -0.713 60.510 61.300 -0.128 0.000 1.154 290 I CB 2.199 40.048 38.000 -0.252 0.000 1.315 290 I HN 0.207 nan 8.210 nan 0.000 0.448 291 T N 5.618 120.112 114.554 -0.101 0.000 2.771 291 T HA 0.489 4.835 4.350 -0.006 0.000 0.291 291 T C -0.025 174.617 174.700 -0.097 0.000 0.954 291 T CA -0.436 61.605 62.100 -0.099 0.000 1.045 291 T CB 1.537 70.341 68.868 -0.106 0.000 0.917 291 T HN 0.423 nan 8.240 nan 0.000 0.484 292 V N 3.900 123.773 119.914 -0.068 0.000 2.444 292 V HA 0.329 4.445 4.120 -0.006 0.000 0.294 292 V C 0.058 176.122 176.094 -0.049 0.000 1.022 292 V CA -0.896 61.348 62.300 -0.094 0.000 0.850 292 V CB 1.651 33.407 31.823 -0.111 0.000 0.992 292 V HN 0.849 nan 8.190 nan 0.000 0.426 293 E N 3.182 123.352 120.200 -0.050 0.000 2.174 293 E HA 0.608 4.954 4.350 -0.006 0.000 0.282 293 E C 0.513 177.121 176.600 0.013 0.000 0.992 293 E CA 0.251 56.640 56.400 -0.019 0.000 0.803 293 E CB 1.763 31.448 29.700 -0.025 0.000 1.090 293 E HN 1.075 nan 8.360 nan 0.000 0.396 294 G N 1.953 110.776 108.800 0.038 0.000 2.781 294 G HA2 0.168 4.125 3.960 -0.006 0.000 0.683 294 G HA3 0.168 4.125 3.960 -0.006 0.000 0.683 294 G C 0.253 175.221 174.900 0.113 0.000 1.390 294 G CA -0.491 44.646 45.100 0.062 0.000 0.850 294 G HN 1.060 nan 8.290 nan 0.000 0.557 295 G N -0.729 108.146 108.800 0.125 0.000 2.846 295 G HA2 0.255 4.211 3.960 -0.006 0.000 0.660 295 G HA3 0.255 4.211 3.960 -0.006 0.000 0.660 295 G C -0.090 174.931 174.900 0.201 0.000 1.464 295 G CA 0.637 45.832 45.100 0.158 0.000 0.891 295 G HN 1.945 nan 8.290 nan 0.000 0.552 296 M N 1.851 121.587 119.600 0.227 0.000 2.326 296 M HA 0.445 4.921 4.480 -0.006 0.000 0.306 296 M C -2.157 174.276 176.300 0.222 0.000 1.054 296 M CA -2.166 53.271 55.300 0.228 0.000 0.922 296 M CB 2.388 35.124 32.600 0.227 0.000 1.632 296 M HN 0.434 nan 8.290 nan 0.000 0.436 297 P HA -0.016 nan 4.420 nan 0.000 0.256 297 P C -0.935 176.480 177.300 0.191 0.000 1.173 297 P CA 0.319 63.570 63.100 0.251 0.000 0.768 297 P CB 0.089 31.932 31.700 0.238 0.000 0.758 298 S N 2.771 118.574 115.700 0.172 0.000 3.919 298 S HA 0.407 4.873 4.470 -0.006 0.000 0.245 298 S C 1.345 176.026 174.600 0.135 0.000 1.344 298 S CA 0.311 58.599 58.200 0.146 0.000 0.896 298 S CB -0.533 62.737 63.200 0.117 0.000 1.557 298 S HN 0.790 nan 8.310 nan 0.000 0.468 299 G N 0.436 109.315 108.800 0.131 0.000 4.362 299 G HA2 -0.095 3.861 3.960 -0.006 0.000 0.220 299 G HA3 -0.095 3.861 3.960 -0.006 0.000 0.220 299 G C 0.364 175.319 174.900 0.091 0.000 0.795 299 G CA -0.146 45.017 45.100 0.105 0.000 0.920 299 G HN 0.798 nan 8.290 nan 0.000 0.715 300 C N 0.337 119.696 119.300 0.099 0.000 2.633 300 C HA 0.790 5.246 4.460 -0.006 0.000 0.345 300 C C 1.458 176.508 174.990 0.100 0.000 1.384 300 C CA -0.045 59.022 59.018 0.082 0.000 2.418 300 C CB 0.836 28.617 27.740 0.069 0.000 2.425 300 C HN 0.583 nan 8.230 nan 0.000 0.705 301 S N 0.559 116.321 115.700 0.103 0.000 2.549 301 S HA 0.427 4.893 4.470 -0.006 0.000 0.279 301 S C 0.971 175.640 174.600 0.115 0.000 1.321 301 S CA 0.703 58.968 58.200 0.107 0.000 1.054 301 S CB -0.151 63.107 63.200 0.097 0.000 0.899 301 S HN 2.676 nan 8.310 nan 0.000 0.497 302 A N 3.314 126.216 122.820 0.137 0.000 2.860 302 A HA -0.175 4.141 4.320 -0.006 0.000 0.267 302 A C 1.581 179.259 177.584 0.157 0.000 1.421 302 A CA 1.514 53.644 52.037 0.155 0.000 0.831 302 A CB -2.906 16.190 19.000 0.160 0.000 1.041 302 A HN 1.028 nan 8.150 nan 0.000 0.623 303 T N -0.944 113.702 114.554 0.153 0.000 2.833 303 T HA -0.082 4.264 4.350 -0.006 0.000 0.269 303 T C 1.952 176.760 174.700 0.180 0.000 1.054 303 T CA 2.534 64.733 62.100 0.164 0.000 1.135 303 T CB -0.274 68.691 68.868 0.161 0.000 0.869 303 T HN 0.827 nan 8.240 nan 0.000 0.466 304 S N 0.442 116.246 115.700 0.174 0.000 2.406 304 S HA 0.127 4.593 4.470 -0.006 0.000 0.228 304 S C 1.861 176.506 174.600 0.076 0.000 1.020 304 S CA 0.816 59.107 58.200 0.151 0.000 0.965 304 S CB -0.210 63.077 63.200 0.145 0.000 0.798 304 S HN 0.500 nan 8.310 nan 0.000 0.488 305 I N 1.236 121.860 120.570 0.090 0.000 2.286 305 I HA -0.108 4.058 4.170 -0.006 0.000 0.245 305 I C 1.953 178.176 176.117 0.176 0.000 1.104 305 I CA 1.012 62.368 61.300 0.093 0.000 1.397 305 I CB -0.313 37.748 38.000 0.101 0.000 1.072 305 I HN 0.211 nan 8.210 nan 0.000 0.417 306 I N 0.925 121.618 120.570 0.206 0.000 2.179 306 I HA -0.304 3.862 4.170 -0.006 0.000 0.242 306 I C 2.030 178.194 176.117 0.079 0.000 1.088 306 I CA 1.520 62.942 61.300 0.203 0.000 1.357 306 I CB -0.526 37.607 38.000 0.220 0.000 1.051 306 I HN 0.268 nan 8.210 nan 0.000 0.409 307 N N 0.108 118.877 118.700 0.115 0.000 2.244 307 N HA -0.123 4.613 4.740 -0.006 0.000 0.183 307 N C 1.782 177.445 175.510 0.254 0.000 1.016 307 N CA 1.470 54.645 53.050 0.207 0.000 0.866 307 N CB -0.479 38.270 38.487 0.437 0.000 0.980 307 N HN 0.270 nan 8.380 nan 0.000 0.430 308 T N 1.005 115.654 114.554 0.158 0.000 2.708 308 T HA 0.009 4.355 4.350 -0.006 0.000 0.266 308 T C 1.977 176.701 174.700 0.040 0.000 1.037 308 T CA 0.764 62.925 62.100 0.102 0.000 1.146 308 T CB -0.268 68.630 68.868 0.051 0.000 0.865 308 T HN 0.157 nan 8.240 nan 0.000 0.435 309 I N 0.718 121.328 120.570 0.066 0.000 2.208 309 I HA -0.167 3.999 4.170 -0.006 0.000 0.245 309 I C 2.292 178.287 176.117 -0.204 0.000 1.097 309 I CA 1.251 62.575 61.300 0.038 0.000 1.363 309 I CB -0.416 37.715 38.000 0.218 0.000 1.051 309 I HN 0.185 nan 8.210 nan 0.000 0.413 310 L N 0.186 121.279 121.223 -0.217 0.000 2.046 310 L HA -0.250 4.087 4.340 -0.006 0.000 0.208 310 L C 2.308 178.820 176.870 -0.598 0.000 1.077 310 L CA 1.781 56.315 54.840 -0.509 0.000 0.747 310 L CB -0.706 40.950 42.059 -0.672 0.000 0.896 310 L HN 0.349 nan 8.230 nan 0.000 0.432 311 N N -0.344 118.306 118.700 -0.084 0.000 2.166 311 N HA -0.204 4.532 4.740 -0.006 0.000 0.186 311 N C 1.707 177.262 175.510 0.076 0.000 1.019 311 N CA 0.879 54.035 53.050 0.177 0.000 0.856 311 N CB 0.117 38.701 38.487 0.163 0.000 0.993 311 N HN 0.331 nan 8.380 nan 0.000 0.426 312 N N 0.677 119.279 118.700 -0.162 0.000 2.142 312 N HA -0.097 4.639 4.740 -0.006 0.000 0.186 312 N C 1.710 177.016 175.510 -0.340 0.000 1.023 312 N CA 0.920 53.772 53.050 -0.331 0.000 0.852 312 N CB -0.051 37.892 38.487 -0.907 0.000 0.998 312 N HN 0.363 nan 8.380 nan 0.000 0.424 313 I N 0.206 120.516 120.570 -0.433 0.000 2.439 313 I HA -0.211 3.955 4.170 -0.006 0.000 0.251 313 I C 1.815 177.916 176.117 -0.027 0.000 1.139 313 I CA 0.596 61.698 61.300 -0.330 0.000 1.438 313 I CB -0.237 37.450 38.000 -0.521 0.000 1.085 313 I HN 0.018 nan 8.210 nan 0.000 0.427 314 Y N 0.747 121.099 120.300 0.088 0.000 2.145 314 Y HA -0.190 4.356 4.550 -0.006 0.000 0.286 314 Y C 2.666 178.622 175.900 0.093 0.000 1.145 314 Y CA 0.846 59.079 58.100 0.222 0.000 1.148 314 Y CB -1.306 37.448 38.460 0.490 0.000 0.981 314 Y HN -0.065 nan 8.280 nan 0.000 0.507 315 V N -0.292 119.815 119.914 0.321 0.000 2.343 315 V HA -0.265 3.851 4.120 -0.006 0.000 0.247 315 V C 2.386 178.391 176.094 -0.148 0.000 1.051 315 V CA 1.608 63.968 62.300 0.100 0.000 1.036 315 V CB -0.962 30.893 31.823 0.054 0.000 0.654 315 V HN 0.293 nan 8.190 nan 0.000 0.451 316 L N -0.731 120.486 121.223 -0.010 0.000 2.093 316 L HA -0.155 4.181 4.340 -0.006 0.000 0.208 316 L C 2.296 179.156 176.870 -0.017 0.000 1.085 316 L CA 1.958 56.819 54.840 0.034 0.000 0.755 316 L CB -0.776 41.367 42.059 0.140 0.000 0.904 316 L HN 0.494 nan 8.230 nan 0.000 0.435 317 Y N -0.186 120.050 120.300 -0.108 0.000 2.163 317 Y HA -0.183 4.363 4.550 -0.006 0.000 0.288 317 Y C 2.317 178.105 175.900 -0.186 0.000 1.136 317 Y CA 1.861 59.906 58.100 -0.092 0.000 1.147 317 Y CB -0.409 38.080 38.460 0.049 0.000 0.987 317 Y HN 0.189 nan 8.280 nan 0.000 0.509 318 A N 0.448 123.061 122.820 -0.344 0.000 1.898 318 A HA -0.111 4.205 4.320 -0.006 0.000 0.216 318 A C 2.242 179.500 177.584 -0.544 0.000 1.181 318 A CA 1.686 53.370 52.037 -0.588 0.000 0.620 318 A CB -1.099 17.342 19.000 -0.932 0.000 0.819 318 A HN 0.564 nan 8.150 nan 0.000 0.442 319 L N -1.149 119.829 121.223 -0.408 0.000 2.093 319 L HA -0.136 4.200 4.340 -0.006 0.000 0.208 319 L C 2.791 179.543 176.870 -0.197 0.000 1.085 319 L CA 1.217 55.890 54.840 -0.278 0.000 0.755 319 L CB -0.351 41.535 42.059 -0.288 0.000 0.904 319 L HN 0.326 nan 8.230 nan 0.000 0.435 320 R N -0.629 119.730 120.500 -0.235 0.000 2.189 320 R HA -0.080 4.256 4.340 -0.006 0.000 0.218 320 R C 2.218 178.342 176.300 -0.293 0.000 1.074 320 R CA 0.571 56.551 56.100 -0.201 0.000 0.991 320 R CB -0.109 30.102 30.300 -0.150 0.000 0.883 320 R HN 0.232 nan 8.270 nan 0.000 0.457 321 R N -0.785 119.433 120.500 -0.470 0.000 2.299 321 R HA -0.086 4.250 4.340 -0.006 0.000 0.197 321 R C 1.171 177.112 176.300 -0.598 0.000 0.971 321 R CA 0.982 56.770 56.100 -0.521 0.000 1.030 321 R CB 0.151 30.060 30.300 -0.652 0.000 0.932 321 R HN 0.276 nan 8.270 nan 0.000 0.477 322 H N -2.057 116.574 119.070 -0.732 0.000 2.326 322 H HA 0.198 4.750 4.556 -0.007 0.000 0.272 322 H C -0.461 174.537 175.328 -0.551 0.000 0.949 322 H CA 0.187 55.790 56.048 -0.741 0.000 1.175 322 H CB 0.350 29.547 29.762 -0.942 0.000 1.462 322 H HN -0.060 nan 8.280 nan 0.000 0.514 323 Y N 1.672 121.846 120.300 -0.210 0.000 2.458 323 Y HA 0.229 4.775 4.550 -0.006 0.000 0.322 323 Y C 0.298 176.090 175.900 -0.179 0.000 1.259 323 Y CA -0.891 57.099 58.100 -0.185 0.000 1.302 323 Y CB 0.761 39.133 38.460 -0.146 0.000 1.314 323 Y HN 0.232 nan 8.280 nan 0.000 0.509 324 E N 0.452 120.682 120.200 0.051 0.000 2.249 324 E HA 0.327 4.673 4.350 -0.006 0.000 0.280 324 E C 0.306 176.891 176.600 -0.025 0.000 1.016 324 E CA -0.315 56.076 56.400 -0.014 0.000 0.830 324 E CB 1.279 30.969 29.700 -0.016 0.000 1.081 324 E HN 0.844 nan 8.360 nan 0.000 0.395 325 G N 2.557 111.338 108.800 -0.032 0.000 2.371 325 G HA2 -0.221 3.735 3.960 -0.006 0.000 0.299 325 G HA3 -0.221 3.735 3.960 -0.006 0.000 0.299 325 G C -0.037 174.836 174.900 -0.045 0.000 1.014 325 G CA 0.334 45.416 45.100 -0.031 0.000 1.097 325 G HN 0.440 nan 8.290 nan 0.000 0.512 326 V N 0.731 120.619 119.914 -0.044 0.000 2.461 326 V HA 0.506 4.622 4.120 -0.006 0.000 0.275 326 V C 0.402 176.498 176.094 0.004 0.000 1.047 326 V CA -0.570 61.704 62.300 -0.043 0.000 0.955 326 V CB 1.421 33.218 31.823 -0.044 0.000 0.988 326 V HN 0.455 nan 8.190 nan 0.000 0.471 327 E N 3.074 123.285 120.200 0.018 0.000 2.390 327 E HA 0.479 4.825 4.350 -0.006 0.000 0.249 327 E C 0.845 177.462 176.600 0.028 0.000 0.981 327 E CA -0.919 55.496 56.400 0.026 0.000 0.860 327 E CB 1.747 31.452 29.700 0.008 0.000 1.278 327 E HN 0.395 nan 8.360 nan 0.000 0.416 328 L N 0.843 122.047 121.223 -0.031 0.000 2.291 328 L HA -0.128 4.208 4.340 -0.006 0.000 0.214 328 L C 1.516 178.216 176.870 -0.284 0.000 1.120 328 L CA 1.117 55.856 54.840 -0.168 0.000 0.799 328 L CB -0.128 41.875 42.059 -0.093 0.000 0.925 328 L HN 0.485 nan 8.230 nan 0.000 0.446 329 D N -2.388 117.941 120.400 -0.117 0.000 2.339 329 D HA -0.068 4.568 4.640 -0.006 0.000 0.217 329 D C 1.517 177.834 176.300 0.028 0.000 1.050 329 D CA 0.506 54.470 54.000 -0.060 0.000 0.856 329 D CB -0.098 40.700 40.800 -0.004 0.000 0.922 329 D HN 0.144 nan 8.370 nan 0.000 0.518 330 T N -0.145 114.435 114.554 0.043 0.000 2.821 330 T HA -0.054 4.292 4.350 -0.006 0.000 0.267 330 T C 0.614 175.494 174.700 0.301 0.000 1.046 330 T CA 1.179 63.381 62.100 0.170 0.000 1.139 330 T CB -0.313 68.589 68.868 0.057 0.000 0.871 330 T HN 0.485 nan 8.240 nan 0.000 0.454 331 Y N -0.526 119.833 120.300 0.097 0.000 2.698 331 Y HA 0.781 5.327 4.550 -0.006 0.000 0.332 331 Y C -0.513 175.395 175.900 0.012 0.000 1.119 331 Y CA -1.588 56.563 58.100 0.085 0.000 1.109 331 Y CB 1.304 39.810 38.460 0.077 0.000 1.308 331 Y HN -0.220 nan 8.280 nan 0.000 0.499 332 T N 2.426 116.963 114.554 -0.028 0.000 2.912 332 T HA 0.725 5.071 4.350 -0.006 0.000 0.299 332 T C -1.225 173.553 174.700 0.129 0.000 1.052 332 T CA -0.774 61.238 62.100 -0.146 0.000 0.996 332 T CB 0.772 69.452 68.868 -0.313 0.000 1.070 332 T HN 0.959 nan 8.240 nan 0.000 0.465 333 M N 3.732 123.437 119.600 0.176 0.000 2.520 333 M HA 0.733 5.209 4.480 -0.006 0.000 0.283 333 M C -1.901 174.530 176.300 0.219 0.000 1.237 333 M CA -1.032 54.459 55.300 0.319 0.000 0.885 333 M CB 2.317 35.121 32.600 0.339 0.000 1.727 333 M HN 0.566 nan 8.290 nan 0.000 0.468 334 I N 2.223 122.859 120.570 0.110 0.000 2.582 334 I HA 0.768 4.934 4.170 -0.006 0.000 0.292 334 I C -1.229 174.818 176.117 -0.116 0.000 1.066 334 I CA -0.153 61.083 61.300 -0.106 0.000 1.053 334 I CB 2.187 39.970 38.000 -0.362 0.000 1.241 334 I HN 1.031 nan 8.210 nan 0.000 0.421 335 S N 5.429 121.191 115.700 0.104 0.000 2.540 335 S HA 0.478 4.944 4.470 -0.006 0.000 0.275 335 S C -1.338 173.490 174.600 0.380 0.000 1.123 335 S CA -0.633 57.745 58.200 0.296 0.000 0.907 335 S CB 1.490 64.800 63.200 0.183 0.000 1.081 335 S HN 0.617 nan 8.310 nan 0.000 0.476 336 Y N 2.150 122.641 120.300 0.318 0.000 2.555 336 Y HA 0.519 5.065 4.550 -0.007 0.000 0.326 336 Y C 1.120 177.083 175.900 0.105 0.000 0.984 336 Y CA 0.577 58.775 58.100 0.163 0.000 1.298 336 Y CB 0.351 38.828 38.460 0.028 0.000 1.094 336 Y HN 1.382 nan 8.280 nan 0.000 0.500 337 G N 4.137 113.094 108.800 0.263 0.000 2.846 337 G HA2 -0.474 3.482 3.960 -0.006 0.000 0.317 337 G HA3 -0.474 3.482 3.960 -0.006 0.000 0.317 337 G C 0.757 175.712 174.900 0.092 0.000 1.210 337 G CA 1.114 46.378 45.100 0.274 0.000 0.972 337 G HN 0.697 nan 8.290 nan 0.000 0.567 338 D N 0.847 121.240 120.400 -0.010 0.000 2.380 338 D HA 0.177 4.813 4.640 -0.006 0.000 0.212 338 D C 0.565 176.855 176.300 -0.017 0.000 1.021 338 D CA 0.584 54.365 54.000 -0.365 0.000 0.884 338 D CB -0.373 40.289 40.800 -0.229 0.000 1.001 338 D HN 0.374 nan 8.370 nan 0.000 0.506 339 D N 0.715 121.176 120.400 0.101 0.000 2.487 339 D HA 0.189 4.825 4.640 -0.006 0.000 0.243 339 D C -0.112 176.440 176.300 0.420 0.000 1.154 339 D CA 0.431 54.547 54.000 0.193 0.000 0.876 339 D CB 0.853 41.639 40.800 -0.024 0.000 1.161 339 D HN 0.269 nan 8.370 nan 0.000 0.478 340 I N 1.798 122.615 120.570 0.411 0.000 2.722 340 I HA 0.219 4.385 4.170 -0.006 0.000 0.292 340 I C -1.708 174.438 176.117 0.048 0.000 1.267 340 I CA -0.657 60.791 61.300 0.247 0.000 1.036 340 I CB 1.933 40.047 38.000 0.191 0.000 1.281 340 I HN -0.031 nan 8.210 nan 0.000 0.423 341 V N 7.605 127.376 119.914 -0.239 0.000 2.443 341 V HA 0.452 4.568 4.120 -0.006 0.000 0.293 341 V C -0.343 175.639 176.094 -0.187 0.000 1.021 341 V CA -0.529 61.531 62.300 -0.401 0.000 0.848 341 V CB 1.699 32.925 31.823 -0.995 0.000 0.998 341 V HN 0.463 nan 8.190 nan 0.000 0.424 342 V N 3.423 123.362 119.914 0.041 0.000 2.630 342 V HA 0.961 5.077 4.120 -0.006 0.000 0.305 342 V C 0.293 176.632 176.094 0.409 0.000 1.046 342 V CA -0.426 62.041 62.300 0.278 0.000 0.934 342 V CB 1.703 33.668 31.823 0.236 0.000 1.003 342 V HN 1.004 nan 8.190 nan 0.000 0.451 343 A N 2.595 125.654 122.820 0.399 0.000 2.520 343 A HA 0.908 5.224 4.320 -0.006 0.000 0.298 343 A C -0.661 176.998 177.584 0.125 0.000 1.051 343 A CA -0.484 51.673 52.037 0.201 0.000 0.690 343 A CB 2.187 21.134 19.000 -0.088 0.000 1.281 343 A HN 0.918 nan 8.150 nan 0.000 0.402 344 S N -0.075 115.835 115.700 0.349 0.000 2.542 344 S HA 0.419 4.885 4.470 -0.006 0.000 0.276 344 S C -0.653 174.231 174.600 0.474 0.000 1.148 344 S CA -0.446 58.041 58.200 0.479 0.000 0.886 344 S CB 1.361 64.908 63.200 0.580 0.000 1.109 344 S HN 0.596 nan 8.310 nan 0.000 0.458 345 D N 1.296 121.936 120.400 0.400 0.000 2.269 345 D HA 0.056 4.692 4.640 -0.006 0.000 0.208 345 D C -0.019 176.300 176.300 0.032 0.000 0.963 345 D CA 1.106 55.175 54.000 0.115 0.000 0.864 345 D CB -0.043 40.710 40.800 -0.079 0.000 0.936 345 D HN 0.526 nan 8.370 nan 0.000 0.505 346 Y N 1.220 121.627 120.300 0.178 0.000 2.397 346 Y HA 0.072 4.618 4.550 -0.006 0.000 0.335 346 Y C 0.694 176.729 175.900 0.226 0.000 1.213 346 Y CA -0.249 57.930 58.100 0.131 0.000 1.391 346 Y CB 0.498 38.982 38.460 0.040 0.000 1.293 346 Y HN -0.278 nan 8.280 nan 0.000 0.557 347 D N 3.350 123.952 120.400 0.338 0.000 2.558 347 D HA 0.198 4.834 4.640 -0.006 0.000 0.221 347 D C -0.596 175.914 176.300 0.350 0.000 1.143 347 D CA 0.100 54.313 54.000 0.354 0.000 1.010 347 D CB -0.351 40.594 40.800 0.243 0.000 1.068 347 D HN 0.309 nan 8.370 nan 0.000 0.511 348 L N 0.914 122.382 121.223 0.408 0.000 2.380 348 L HA 0.180 4.516 4.340 -0.006 0.000 0.273 348 L C 0.734 177.735 176.870 0.217 0.000 1.138 348 L CA -0.260 54.641 54.840 0.101 0.000 0.832 348 L CB 0.615 42.534 42.059 -0.233 0.000 1.124 348 L HN 0.054 nan 8.230 nan 0.000 0.454 349 D N 1.547 122.040 120.400 0.154 0.000 2.428 349 D HA 0.182 4.818 4.640 -0.006 0.000 0.221 349 D C 0.374 176.589 176.300 -0.141 0.000 1.123 349 D CA -0.148 53.921 54.000 0.115 0.000 0.869 349 D CB 0.588 41.461 40.800 0.121 0.000 1.032 349 D HN 0.231 nan 8.370 nan 0.000 0.506 350 F N 1.347 121.094 119.950 -0.338 0.000 2.710 350 F HA 0.054 4.577 4.527 -0.007 0.000 0.298 350 F C 2.174 177.741 175.800 -0.389 0.000 1.137 350 F CA 0.273 57.877 58.000 -0.660 0.000 1.444 350 F CB 0.287 38.435 39.000 -1.420 0.000 1.111 350 F HN 0.397 nan 8.300 nan 0.000 0.580 351 E N -0.067 120.209 120.200 0.127 0.000 2.274 351 E HA -0.062 4.285 4.350 -0.006 0.000 0.194 351 E C 2.204 178.836 176.600 0.053 0.000 0.996 351 E CA 0.868 57.393 56.400 0.208 0.000 0.840 351 E CB -0.154 29.675 29.700 0.216 0.000 0.772 351 E HN 0.333 nan 8.360 nan 0.000 0.491 352 A N 0.099 122.872 122.820 -0.079 0.000 2.147 352 A HA 0.101 4.417 4.320 -0.006 0.000 0.211 352 A C 2.041 179.520 177.584 -0.175 0.000 1.160 352 A CA 0.032 51.967 52.037 -0.169 0.000 0.781 352 A CB -0.105 18.684 19.000 -0.350 0.000 0.842 352 A HN 0.133 nan 8.150 nan 0.000 0.475 353 L N -0.550 120.567 121.223 -0.177 0.000 2.492 353 L HA -0.044 4.292 4.340 -0.006 0.000 0.223 353 L C 2.047 179.050 176.870 0.221 0.000 1.132 353 L CA 0.236 55.073 54.840 -0.005 0.000 0.850 353 L CB -0.235 41.700 42.059 -0.207 0.000 0.966 353 L HN 0.248 nan 8.230 nan 0.000 0.454 354 K N 0.787 121.259 120.400 0.120 0.000 2.032 354 K HA -0.211 4.105 4.320 -0.006 0.000 0.218 354 K C -0.333 176.339 176.600 0.120 0.000 1.054 354 K CA 1.780 58.152 56.287 0.142 0.000 0.941 354 K CB -1.714 30.842 32.500 0.093 0.000 0.720 354 K HN 0.319 nan 8.250 nan 0.000 0.449 355 P HA -0.057 nan 4.420 nan 0.000 0.225 355 P C 0.806 178.025 177.300 -0.135 0.000 1.156 355 P CA 1.228 64.260 63.100 -0.112 0.000 0.787 355 P CB -0.091 31.469 31.700 -0.235 0.000 0.802 356 H N -2.522 116.554 119.070 0.012 0.000 2.462 356 H HA 0.041 4.593 4.556 -0.006 0.000 0.292 356 H C 1.353 176.655 175.328 -0.042 0.000 1.049 356 H CA 0.894 56.903 56.048 -0.066 0.000 1.334 356 H CB -0.675 28.957 29.762 -0.217 0.000 1.404 356 H HN 0.121 nan 8.280 nan 0.000 0.544 357 F N 0.608 120.634 119.950 0.127 0.000 2.416 357 F HA -0.014 4.508 4.527 -0.007 0.000 0.296 357 F C 2.118 177.935 175.800 0.029 0.000 1.099 357 F CA 0.577 58.630 58.000 0.089 0.000 1.427 357 F CB 0.242 39.295 39.000 0.089 0.000 1.079 357 F HN -0.075 nan 8.300 nan 0.000 0.536 358 K N 0.308 120.817 120.400 0.183 0.000 2.288 358 K HA -0.076 4.240 4.320 -0.006 0.000 0.201 358 K C 2.159 178.784 176.600 0.042 0.000 1.048 358 K CA 1.242 57.581 56.287 0.086 0.000 0.956 358 K CB -0.491 32.038 32.500 0.049 0.000 0.746 358 K HN 0.313 nan 8.250 nan 0.000 0.461 359 S N 0.360 116.095 115.700 0.059 0.000 2.447 359 S HA -0.059 4.408 4.470 -0.006 0.000 0.233 359 S C 1.930 176.524 174.600 -0.009 0.000 1.006 359 S CA 0.660 58.893 58.200 0.056 0.000 0.957 359 S CB -0.277 63.011 63.200 0.146 0.000 0.773 359 S HN 0.189 nan 8.310 nan 0.000 0.507 360 L N 0.450 121.638 121.223 -0.059 0.000 2.416 360 L HA 0.402 4.738 4.340 -0.006 0.000 0.216 360 L C 1.958 178.740 176.870 -0.146 0.000 1.098 360 L CA 0.529 55.243 54.840 -0.210 0.000 0.840 360 L CB -0.370 41.438 42.059 -0.419 0.000 0.981 360 L HN 0.549 nan 8.230 nan 0.000 0.462 361 G N -0.872 107.891 108.800 -0.061 0.000 2.148 361 G HA2 -0.166 3.790 3.960 -0.006 0.000 0.203 361 G HA3 -0.166 3.790 3.960 -0.006 0.000 0.203 361 G C 0.040 174.938 174.900 -0.003 0.000 0.993 361 G CA -0.530 44.550 45.100 -0.033 0.000 0.661 361 G HN 0.203 nan 8.290 nan 0.000 0.518 362 Q N 0.776 120.603 119.800 0.046 0.000 2.256 362 Q HA 0.587 4.923 4.340 -0.006 0.000 0.257 362 Q C -0.493 175.631 176.000 0.206 0.000 0.936 362 Q CA -0.051 55.853 55.803 0.168 0.000 0.903 362 Q CB 1.739 30.652 28.738 0.290 0.000 1.263 362 Q HN 0.217 nan 8.270 nan 0.000 0.440 363 T N 3.026 117.689 114.554 0.181 0.000 2.770 363 T HA 0.519 4.865 4.350 -0.006 0.000 0.297 363 T C 0.468 175.171 174.700 0.004 0.000 0.997 363 T CA -0.558 61.598 62.100 0.094 0.000 0.949 363 T CB -0.048 68.859 68.868 0.065 0.000 0.941 363 T HN 0.456 nan 8.240 nan 0.000 0.457 364 I N 1.617 122.127 120.570 -0.101 0.000 2.315 364 I HA 0.698 4.864 4.170 -0.006 0.000 0.291 364 I C 0.271 176.412 176.117 0.039 0.000 1.006 364 I CA -0.555 60.601 61.300 -0.239 0.000 1.265 364 I CB 0.997 38.661 38.000 -0.560 0.000 1.387 364 I HN 0.521 nan 8.210 nan 0.000 0.475 365 T N 2.861 117.392 114.554 -0.037 0.000 2.916 365 T HA 0.649 4.995 4.350 -0.006 0.000 0.292 365 T C -2.916 171.552 174.700 -0.387 0.000 1.055 365 T CA -2.413 59.581 62.100 -0.177 0.000 1.009 365 T CB 1.772 70.551 68.868 -0.149 0.000 1.118 365 T HN 0.359 nan 8.240 nan 0.000 0.497 366 P HA 0.342 nan 4.420 nan 0.000 0.276 366 P C 0.634 177.759 177.300 -0.291 0.000 1.235 366 P CA -0.407 62.268 63.100 -0.708 0.000 0.772 366 P CB 0.534 31.746 31.700 -0.813 0.000 0.871 367 A N 3.117 125.846 122.820 -0.151 0.000 1.902 367 A HA -0.169 4.148 4.320 -0.006 0.000 0.217 367 A C 1.071 178.614 177.584 -0.067 0.000 1.181 367 A CA 1.355 53.349 52.037 -0.073 0.000 0.623 367 A CB -1.218 17.775 19.000 -0.011 0.000 0.818 367 A HN 0.528 nan 8.150 nan 0.000 0.443 368 D N 0.207 120.563 120.400 -0.073 0.000 2.367 368 D HA 0.093 4.729 4.640 -0.006 0.000 0.255 368 D C 1.479 177.725 176.300 -0.090 0.000 1.300 368 D CA 0.033 54.005 54.000 -0.048 0.000 0.959 368 D CB 0.543 41.346 40.800 0.006 0.000 1.064 368 D HN 0.330 nan 8.370 nan 0.000 0.509 369 K N 2.090 122.448 120.400 -0.071 0.000 2.442 369 K HA -0.098 4.218 4.320 -0.006 0.000 0.198 369 K C 0.514 177.069 176.600 -0.075 0.000 1.044 369 K CA 0.103 56.340 56.287 -0.083 0.000 0.948 369 K CB -0.410 32.055 32.500 -0.058 0.000 0.762 369 K HN 0.245 nan 8.250 nan 0.000 0.472 370 S N 2.853 118.521 115.700 -0.053 0.000 2.629 370 S HA -0.038 4.428 4.470 -0.006 0.000 0.302 370 S C 0.093 174.664 174.600 -0.048 0.000 1.244 370 S CA 0.796 58.975 58.200 -0.034 0.000 1.098 370 S CB -0.519 62.678 63.200 -0.006 0.000 0.858 370 S HN 0.622 nan 8.310 nan 0.000 0.502 371 D N 2.633 123.010 120.400 -0.039 0.000 3.043 371 D HA -0.311 4.326 4.640 -0.006 0.000 0.215 371 D C 0.174 176.436 176.300 -0.064 0.000 1.165 371 D CA 1.747 55.724 54.000 -0.038 0.000 0.953 371 D CB -1.695 39.094 40.800 -0.017 0.000 1.115 371 D HN 0.827 nan 8.370 nan 0.000 0.392 372 K N -0.602 119.734 120.400 -0.106 0.000 3.078 372 K HA -0.148 4.168 4.320 -0.006 0.000 0.261 372 K C 0.448 176.934 176.600 -0.191 0.000 0.947 372 K CA 0.930 57.114 56.287 -0.172 0.000 0.702 372 K CB -1.833 30.588 32.500 -0.133 0.000 1.318 372 K HN 0.664 nan 8.250 nan 0.000 0.473 373 G N 0.537 109.238 108.800 -0.165 0.000 2.574 373 G HA2 0.491 4.447 3.960 -0.006 0.000 0.306 373 G HA3 0.491 4.447 3.960 -0.006 0.000 0.306 373 G C -0.476 174.374 174.900 -0.083 0.000 1.334 373 G CA -0.781 44.269 45.100 -0.083 0.000 0.954 373 G HN 0.177 nan 8.290 nan 0.000 0.500 374 F N 3.044 123.021 119.950 0.045 0.000 2.506 374 F HA 0.151 4.673 4.527 -0.007 0.000 0.353 374 F C 1.438 177.320 175.800 0.137 0.000 1.194 374 F CA -0.051 58.003 58.000 0.089 0.000 1.048 374 F CB 0.202 39.292 39.000 0.151 0.000 1.160 374 F HN 0.338 nan 8.300 nan 0.000 0.598 375 V N 2.125 122.155 119.914 0.194 0.000 3.170 375 V HA 0.540 4.657 4.120 -0.006 0.000 0.309 375 V C -0.065 176.132 176.094 0.172 0.000 1.071 375 V CA -1.151 61.246 62.300 0.161 0.000 1.063 375 V CB 1.330 33.209 31.823 0.093 0.000 1.123 375 V HN 0.366 nan 8.190 nan 0.000 0.464 376 L N 1.464 122.785 121.223 0.163 0.000 2.358 376 L HA 0.881 5.217 4.340 -0.006 0.000 0.268 376 L C 1.284 178.181 176.870 0.044 0.000 1.032 376 L CA 0.754 55.653 54.840 0.097 0.000 0.805 376 L CB 1.135 43.294 42.059 0.167 0.000 1.253 376 L HN 1.147 nan 8.230 nan 0.000 0.452 377 G N -1.025 107.735 108.800 -0.067 0.000 2.213 377 G HA2 -0.257 3.699 3.960 -0.006 0.000 0.236 377 G HA3 -0.257 3.699 3.960 -0.006 0.000 0.236 377 G C 0.237 175.111 174.900 -0.045 0.000 0.991 377 G CA -0.196 44.880 45.100 -0.040 0.000 0.629 377 G HN 0.670 nan 8.290 nan 0.000 0.517 378 H N 2.047 120.985 119.070 -0.219 0.000 3.064 378 H HA 0.453 5.005 4.556 -0.006 0.000 0.329 378 H C 1.335 176.557 175.328 -0.177 0.000 1.020 378 H CA 1.129 57.069 56.048 -0.179 0.000 1.402 378 H CB 0.831 30.471 29.762 -0.203 0.000 1.379 378 H HN 0.602 nan 8.280 nan 0.000 0.594 379 S N 2.824 118.486 115.700 -0.062 0.000 2.718 379 S HA 0.227 4.693 4.470 -0.006 0.000 0.292 379 S C 1.382 175.965 174.600 -0.029 0.000 1.125 379 S CA -0.865 57.308 58.200 -0.044 0.000 1.013 379 S CB 1.003 64.184 63.200 -0.033 0.000 1.192 379 S HN 0.504 nan 8.310 nan 0.000 0.535 380 I N 1.646 122.195 120.570 -0.036 0.000 2.493 380 I HA -0.071 4.095 4.170 -0.006 0.000 0.254 380 I C 1.874 177.994 176.117 0.004 0.000 1.160 380 I CA 1.540 62.768 61.300 -0.120 0.000 1.445 380 I CB -1.295 36.587 38.000 -0.197 0.000 1.086 380 I HN 0.959 nan 8.210 nan 0.000 0.433 381 T N -3.269 111.322 114.554 0.062 0.000 3.366 381 T HA 0.124 4.471 4.350 -0.006 0.000 0.249 381 T C 0.700 175.501 174.700 0.168 0.000 1.028 381 T CA -0.122 62.001 62.100 0.039 0.000 0.938 381 T CB -0.017 68.829 68.868 -0.037 0.000 1.046 381 T HN 0.162 nan 8.240 nan 0.000 0.587 382 D N 0.677 121.246 120.400 0.282 0.000 2.415 382 D HA 0.138 4.774 4.640 -0.006 0.000 0.269 382 D C 0.999 177.530 176.300 0.385 0.000 1.099 382 D CA 0.155 54.349 54.000 0.323 0.000 0.865 382 D CB 0.876 41.716 40.800 0.068 0.000 1.359 382 D HN 0.516 nan 8.370 nan 0.000 0.506 383 V N 0.448 120.573 119.914 0.351 0.000 2.953 383 V HA 0.591 4.707 4.120 -0.006 0.000 0.304 383 V C 0.107 176.440 176.094 0.399 0.000 1.073 383 V CA -0.166 62.296 62.300 0.271 0.000 1.064 383 V CB 1.390 33.283 31.823 0.115 0.000 1.047 383 V HN -0.094 nan 8.190 nan 0.000 0.478 384 T N 5.093 119.816 114.554 0.282 0.000 2.893 384 T HA 0.483 4.829 4.350 -0.006 0.000 0.324 384 T C -0.915 174.011 174.700 0.378 0.000 1.082 384 T CA 0.187 62.467 62.100 0.299 0.000 0.983 384 T CB 0.166 69.107 68.868 0.121 0.000 1.005 384 T HN 0.630 nan 8.240 nan 0.000 0.475 385 F N 4.364 124.517 119.950 0.339 0.000 2.426 385 F HA 0.510 5.033 4.527 -0.007 0.000 0.348 385 F C 0.567 176.598 175.800 0.385 0.000 1.124 385 F CA -1.668 56.525 58.000 0.322 0.000 1.008 385 F CB 0.541 39.742 39.000 0.335 0.000 1.139 385 F HN 0.516 nan 8.300 nan 0.000 0.452 386 L N 6.063 127.095 121.223 -0.319 0.000 3.634 386 L HA -0.395 3.941 4.340 -0.006 0.000 0.423 386 L C 0.803 177.597 176.870 -0.127 0.000 1.253 386 L CA 0.805 55.460 54.840 -0.308 0.000 0.885 386 L CB -1.539 40.312 42.059 -0.346 0.000 1.789 386 L HN 0.882 nan 8.230 nan 0.000 0.904 387 K N -2.396 117.979 120.400 -0.041 0.000 3.426 387 K HA -0.208 4.108 4.320 -0.006 0.000 0.315 387 K C 0.298 176.899 176.600 0.003 0.000 1.293 387 K CA 1.750 58.023 56.287 -0.024 0.000 0.955 387 K CB -0.667 31.787 32.500 -0.077 0.000 1.238 387 K HN 0.556 nan 8.250 nan 0.000 0.441 388 R N 0.592 121.142 120.500 0.084 0.000 2.437 388 R HA 0.293 4.630 4.340 -0.006 0.000 0.310 388 R C -0.546 175.984 176.300 0.383 0.000 0.955 388 R CA -0.978 55.173 56.100 0.084 0.000 0.851 388 R CB 1.134 31.280 30.300 -0.257 0.000 1.161 388 R HN 0.042 nan 8.270 nan 0.000 0.446 389 H N 2.107 121.293 119.070 0.194 0.000 2.525 389 H HA 0.223 4.776 4.556 -0.006 0.000 0.339 389 H C -0.841 174.775 175.328 0.481 0.000 1.109 389 H CA -0.882 55.375 56.048 0.348 0.000 1.352 389 H CB 0.475 30.378 29.762 0.236 0.000 1.461 389 H HN 0.375 nan 8.280 nan 0.000 0.533 390 F N 4.439 124.635 119.950 0.411 0.000 2.438 390 F HA 0.203 4.726 4.527 -0.007 0.000 0.360 390 F C 0.692 176.711 175.800 0.366 0.000 1.118 390 F CA 0.291 58.542 58.000 0.419 0.000 1.164 390 F CB 0.237 39.342 39.000 0.175 0.000 1.131 390 F HN 0.435 nan 8.300 nan 0.000 0.527 391 H N 3.692 122.992 119.070 0.383 0.000 2.667 391 H HA 0.264 4.816 4.556 -0.006 0.000 0.353 391 H C -0.723 174.716 175.328 0.185 0.000 1.072 391 H CA -1.208 54.963 56.048 0.205 0.000 1.214 391 H CB 2.256 32.079 29.762 0.102 0.000 1.600 391 H HN 0.471 nan 8.280 nan 0.000 0.527 392 M N 3.011 122.660 119.600 0.082 0.000 2.184 392 M HA 0.019 4.495 4.480 -0.006 0.000 0.351 392 M C -0.374 176.080 176.300 0.257 0.000 1.395 392 M CA -0.025 55.264 55.300 -0.018 0.000 1.117 392 M CB -0.024 32.507 32.600 -0.114 0.000 1.708 392 M HN 0.467 nan 8.290 nan 0.000 0.468 393 D N 3.186 123.755 120.400 0.281 0.000 2.383 393 D HA -0.001 4.635 4.640 -0.006 0.000 0.252 393 D C -0.041 176.494 176.300 0.391 0.000 1.166 393 D CA 0.623 54.847 54.000 0.372 0.000 0.879 393 D CB 0.344 41.439 40.800 0.492 0.000 1.164 393 D HN 0.695 nan 8.370 nan 0.000 0.462 394 Y N 1.953 122.322 120.300 0.116 0.000 2.583 394 Y HA 0.087 4.633 4.550 -0.006 0.000 0.293 394 Y C 2.140 178.088 175.900 0.080 0.000 1.157 394 Y CA -0.048 58.091 58.100 0.066 0.000 1.315 394 Y CB 0.731 39.220 38.460 0.048 0.000 1.021 394 Y HN 0.595 nan 8.280 nan 0.000 0.536 395 G N -0.509 108.474 108.800 0.305 0.000 2.437 395 G HA2 -0.161 3.795 3.960 -0.006 0.000 0.212 395 G HA3 -0.161 3.795 3.960 -0.006 0.000 0.212 395 G C 1.643 176.669 174.900 0.209 0.000 1.174 395 G CA 1.216 46.479 45.100 0.271 0.000 0.811 395 G HN 0.368 nan 8.290 nan 0.000 0.537 396 T N -3.683 111.006 114.554 0.225 0.000 3.018 396 T HA 0.396 4.742 4.350 -0.006 0.000 0.246 396 T C 1.788 176.256 174.700 -0.387 0.000 1.026 396 T CA 1.155 63.250 62.100 -0.009 0.000 1.081 396 T CB 0.441 69.400 68.868 0.152 0.000 0.970 396 T HN 1.419 nan 8.240 nan 0.000 0.475 397 G N 1.097 109.759 108.800 -0.230 0.000 2.134 397 G HA2 -0.108 3.848 3.960 -0.006 0.000 0.209 397 G HA3 -0.108 3.848 3.960 -0.006 0.000 0.209 397 G C -0.264 174.439 174.900 -0.329 0.000 0.993 397 G CA -0.333 44.576 45.100 -0.318 0.000 0.669 397 G HN 0.478 nan 8.290 nan 0.000 0.519 398 F N -0.331 119.715 119.950 0.159 0.000 2.483 398 F HA 0.744 5.267 4.527 -0.006 0.000 0.329 398 F C 0.717 176.681 175.800 0.274 0.000 1.064 398 F CA -1.968 56.153 58.000 0.202 0.000 0.986 398 F CB 0.601 39.705 39.000 0.173 0.000 1.218 398 F HN 0.029 nan 8.300 nan 0.000 0.484 399 Y N 1.370 122.005 120.300 0.558 0.000 2.425 399 Y HA 0.317 4.863 4.550 -0.006 0.000 0.331 399 Y C 0.290 176.523 175.900 0.554 0.000 1.157 399 Y CA -0.132 58.276 58.100 0.512 0.000 1.372 399 Y CB 0.628 39.392 38.460 0.506 0.000 1.253 399 Y HN 0.390 nan 8.280 nan 0.000 0.536 400 K N 3.534 124.258 120.400 0.541 0.000 2.422 400 K HA 0.574 4.890 4.320 -0.006 0.000 0.251 400 K C -3.355 173.194 176.600 -0.085 0.000 0.933 400 K CA -2.381 53.978 56.287 0.120 0.000 0.798 400 K CB 2.420 34.824 32.500 -0.159 0.000 1.238 400 K HN 0.136 nan 8.250 nan 0.000 0.428 401 P HA 0.041 nan 4.420 nan 0.000 0.283 401 P C -0.279 176.767 177.300 -0.423 0.000 1.412 401 P CA -0.569 62.075 63.100 -0.761 0.000 0.912 401 P CB 0.915 31.765 31.700 -1.417 0.000 1.132 402 V N 2.064 121.865 119.914 -0.188 0.000 2.407 402 V HA 0.520 4.636 4.120 -0.006 0.000 0.278 402 V C 0.038 176.083 176.094 -0.082 0.000 1.037 402 V CA -0.711 61.507 62.300 -0.138 0.000 0.900 402 V CB 0.944 32.605 31.823 -0.269 0.000 0.983 402 V HN 0.272 nan 8.190 nan 0.000 0.459 403 M N 4.441 123.994 119.600 -0.078 0.000 2.277 403 M HA 0.627 5.103 4.480 -0.006 0.000 0.350 403 M C 0.655 176.914 176.300 -0.069 0.000 1.180 403 M CA -0.347 54.911 55.300 -0.071 0.000 1.103 403 M CB 1.742 34.285 32.600 -0.095 0.000 1.577 403 M HN 0.956 nan 8.290 nan 0.000 0.459 404 A N 2.026 124.810 122.820 -0.059 0.000 2.546 404 A HA 0.106 4.422 4.320 -0.006 0.000 0.243 404 A C 1.056 178.586 177.584 -0.089 0.000 1.063 404 A CA -0.043 51.961 52.037 -0.056 0.000 0.757 404 A CB 0.069 19.047 19.000 -0.035 0.000 0.991 404 A HN 0.983 nan 8.150 nan 0.000 0.503 405 S N 1.721 117.370 115.700 -0.085 0.000 2.400 405 S HA -0.140 4.326 4.470 -0.006 0.000 0.232 405 S C 1.913 176.405 174.600 -0.179 0.000 1.025 405 S CA 1.538 59.660 58.200 -0.130 0.000 0.993 405 S CB -0.142 62.998 63.200 -0.100 0.000 0.808 405 S HN 0.743 nan 8.310 nan 0.000 0.478 406 K N 0.947 121.281 120.400 -0.109 0.000 2.097 406 K HA 0.018 4.334 4.320 -0.006 0.000 0.205 406 K C 2.197 178.674 176.600 -0.205 0.000 1.050 406 K CA 1.119 57.361 56.287 -0.075 0.000 0.938 406 K CB -1.016 31.527 32.500 0.072 0.000 0.718 406 K HN 0.318 nan 8.250 nan 0.000 0.442 407 T N 2.177 116.590 114.554 -0.235 0.000 2.812 407 T HA -0.006 4.340 4.350 -0.006 0.000 0.264 407 T C 2.030 176.515 174.700 -0.359 0.000 1.042 407 T CA 0.799 62.675 62.100 -0.375 0.000 1.140 407 T CB -0.116 68.616 68.868 -0.227 0.000 0.870 407 T HN 0.075 nan 8.240 nan 0.000 0.445 408 L N 0.653 121.707 121.223 -0.283 0.000 2.201 408 L HA -0.046 4.290 4.340 -0.006 0.000 0.212 408 L C 2.598 179.238 176.870 -0.384 0.000 1.105 408 L CA 1.214 55.880 54.840 -0.289 0.000 0.775 408 L CB -0.460 41.454 42.059 -0.242 0.000 0.913 408 L HN 0.317 nan 8.230 nan 0.000 0.440 409 E N 0.028 119.952 120.200 -0.460 0.000 2.150 409 E HA -0.180 4.166 4.350 -0.006 0.000 0.193 409 E C 2.309 178.738 176.600 -0.286 0.000 0.985 409 E CA 1.010 57.060 56.400 -0.583 0.000 0.814 409 E CB -0.087 29.227 29.700 -0.644 0.000 0.752 409 E HN 0.508 nan 8.360 nan 0.000 0.466 410 A N 0.979 123.614 122.820 -0.308 0.000 1.929 410 A HA -0.125 4.191 4.320 -0.006 0.000 0.216 410 A C 2.124 179.655 177.584 -0.087 0.000 1.176 410 A CA 0.872 52.764 52.037 -0.241 0.000 0.628 410 A CB -0.459 18.015 19.000 -0.877 0.000 0.816 410 A HN 0.129 nan 8.150 nan 0.000 0.444 411 I N -0.478 119.988 120.570 -0.173 0.000 2.252 411 I HA -0.217 3.949 4.170 -0.006 0.000 0.245 411 I C 2.190 178.274 176.117 -0.055 0.000 1.102 411 I CA 1.047 62.286 61.300 -0.103 0.000 1.385 411 I CB -0.365 37.547 38.000 -0.146 0.000 1.064 411 I HN 0.214 nan 8.210 nan 0.000 0.414 412 L N -0.171 120.989 121.223 -0.104 0.000 2.240 412 L HA -0.069 4.267 4.340 -0.006 0.000 0.211 412 L C 2.535 179.458 176.870 0.088 0.000 1.106 412 L CA 0.690 55.499 54.840 -0.052 0.000 0.793 412 L CB -0.390 41.594 42.059 -0.124 0.000 0.927 412 L HN 0.138 nan 8.230 nan 0.000 0.446 413 S N -0.787 114.947 115.700 0.056 0.000 2.423 413 S HA 0.028 4.494 4.470 -0.006 0.000 0.231 413 S C 0.271 174.654 174.600 -0.362 0.000 1.014 413 S CA 0.883 59.050 58.200 -0.055 0.000 0.965 413 S CB -0.042 63.160 63.200 0.002 0.000 0.785 413 S HN 0.128 nan 8.310 nan 0.000 0.495 414 F N 0.338 120.321 119.950 0.056 0.000 2.518 414 F HA 0.698 5.222 4.527 -0.006 0.000 0.323 414 F C -0.054 175.744 175.800 -0.004 0.000 1.129 414 F CA -0.772 57.238 58.000 0.016 0.000 0.920 414 F CB 1.771 40.775 39.000 0.006 0.000 1.160 414 F HN -0.066 nan 8.300 nan 0.000 0.440 415 A N 2.979 125.893 122.820 0.157 0.000 2.574 415 A HA 0.762 5.078 4.320 -0.006 0.000 0.297 415 A C -0.950 176.677 177.584 0.071 0.000 1.062 415 A CA -1.196 50.887 52.037 0.077 0.000 0.686 415 A CB 1.410 20.416 19.000 0.010 0.000 1.285 415 A HN 0.855 nan 8.150 nan 0.000 0.403 416 R N 1.086 121.614 120.500 0.048 0.000 2.643 416 R HA 0.390 4.727 4.340 -0.006 0.000 0.270 416 R C 0.163 176.485 176.300 0.036 0.000 1.061 416 R CA -0.405 55.720 56.100 0.043 0.000 1.107 416 R CB 0.315 30.633 30.300 0.031 0.000 0.999 416 R HN 0.758 nan 8.270 nan 0.000 0.460 417 R N 1.319 121.844 120.500 0.042 0.000 2.484 417 R HA 0.210 4.546 4.340 -0.006 0.000 0.293 417 R C 0.303 176.630 176.300 0.044 0.000 1.023 417 R CA 0.301 56.429 56.100 0.046 0.000 1.037 417 R CB 0.004 30.331 30.300 0.045 0.000 0.951 417 R HN 1.002 nan 8.270 nan 0.000 0.418 418 G N 2.434 111.270 108.800 0.059 0.000 2.160 418 G HA2 -0.266 3.690 3.960 -0.006 0.000 0.244 418 G HA3 -0.266 3.690 3.960 -0.006 0.000 0.244 418 G C 0.280 175.205 174.900 0.041 0.000 1.022 418 G CA 0.420 45.559 45.100 0.065 0.000 0.741 418 G HN 0.704 nan 8.290 nan 0.000 0.508 419 T N -0.421 114.140 114.554 0.013 0.000 2.986 419 T HA 0.266 4.612 4.350 -0.006 0.000 0.264 419 T C 2.389 177.040 174.700 -0.082 0.000 0.964 419 T CA 0.396 62.485 62.100 -0.019 0.000 0.895 419 T CB 0.279 69.137 68.868 -0.017 0.000 1.163 419 T HN 0.215 nan 8.240 nan 0.000 0.517 420 I N 2.284 122.775 120.570 -0.132 0.000 2.103 420 I HA -0.297 3.869 4.170 -0.006 0.000 0.241 420 I C 2.629 178.474 176.117 -0.452 0.000 1.036 420 I CA 1.929 63.019 61.300 -0.351 0.000 1.300 420 I CB -1.425 36.227 38.000 -0.581 0.000 1.010 420 I HN 0.270 nan 8.210 nan 0.000 0.406 421 Q N 1.409 121.006 119.800 -0.337 0.000 2.061 421 Q HA -0.246 4.090 4.340 -0.006 0.000 0.204 421 Q C 2.153 178.089 176.000 -0.106 0.000 0.984 421 Q CA 2.457 58.164 55.803 -0.161 0.000 0.846 421 Q CB -0.365 28.445 28.738 0.120 0.000 0.902 421 Q HN 0.746 nan 8.270 nan 0.000 0.421 422 E N -1.057 119.099 120.200 -0.073 0.000 2.152 422 E HA -0.175 4.171 4.350 -0.006 0.000 0.192 422 E C 1.669 178.225 176.600 -0.073 0.000 0.983 422 E CA 1.010 57.378 56.400 -0.052 0.000 0.818 422 E CB -0.092 29.590 29.700 -0.029 0.000 0.758 422 E HN 0.059 nan 8.360 nan 0.000 0.467 423 K N 0.742 121.077 120.400 -0.109 0.000 2.155 423 K HA 0.095 4.411 4.320 -0.006 0.000 0.203 423 K C 1.991 178.513 176.600 -0.131 0.000 1.052 423 K CA 0.697 56.916 56.287 -0.113 0.000 0.948 423 K CB -0.127 32.300 32.500 -0.122 0.000 0.728 423 K HN 0.167 nan 8.250 nan 0.000 0.448 424 L N 0.289 121.393 121.223 -0.198 0.000 2.093 424 L HA -0.149 4.187 4.340 -0.006 0.000 0.208 424 L C 1.789 178.644 176.870 -0.025 0.000 1.085 424 L CA 0.628 55.378 54.840 -0.149 0.000 0.755 424 L CB -0.338 41.534 42.059 -0.312 0.000 0.904 424 L HN 0.152 nan 8.230 nan 0.000 0.435 425 I N -0.986 119.548 120.570 -0.059 0.000 2.252 425 I HA -0.246 3.920 4.170 -0.006 0.000 0.245 425 I C 2.748 178.852 176.117 -0.021 0.000 1.102 425 I CA 1.364 62.640 61.300 -0.041 0.000 1.385 425 I CB -1.151 36.829 38.000 -0.034 0.000 1.064 425 I HN 0.204 nan 8.210 nan 0.000 0.414 426 S N 0.587 116.271 115.700 -0.026 0.000 2.368 426 S HA -0.078 4.388 4.470 -0.006 0.000 0.224 426 S C 2.101 176.699 174.600 -0.004 0.000 1.029 426 S CA 1.127 59.315 58.200 -0.021 0.000 0.988 426 S CB -0.120 63.060 63.200 -0.034 0.000 0.838 426 S HN 0.217 nan 8.310 nan 0.000 0.462 427 V N 2.060 121.981 119.914 0.011 0.000 2.667 427 V HA 0.017 4.133 4.120 -0.006 0.000 0.252 427 V C 2.726 178.923 176.094 0.172 0.000 1.065 427 V CA 1.317 63.642 62.300 0.040 0.000 1.083 427 V CB -1.146 30.660 31.823 -0.028 0.000 0.692 427 V HN 0.571 nan 8.190 nan 0.000 0.468 428 A N 0.862 123.812 122.820 0.217 0.000 1.972 428 A HA -0.092 4.224 4.320 -0.006 0.000 0.219 428 A C 2.378 180.037 177.584 0.124 0.000 1.169 428 A CA 1.811 53.956 52.037 0.181 0.000 0.635 428 A CB -0.990 17.953 19.000 -0.096 0.000 0.810 428 A HN 0.525 nan 8.150 nan 0.000 0.446 429 G N -0.487 108.332 108.800 0.032 0.000 2.443 429 G HA2 -0.038 3.918 3.960 -0.006 0.000 0.219 429 G HA3 -0.038 3.918 3.960 -0.006 0.000 0.219 429 G C 1.438 176.313 174.900 -0.041 0.000 1.131 429 G CA 0.964 46.047 45.100 -0.029 0.000 0.775 429 G HN 0.462 nan 8.290 nan 0.000 0.547 430 L N 0.032 121.260 121.223 0.009 0.000 2.249 430 L HA 0.241 4.577 4.340 -0.006 0.000 0.207 430 L C 3.008 179.903 176.870 0.041 0.000 1.090 430 L CA 0.750 55.599 54.840 0.015 0.000 0.802 430 L CB -0.026 42.020 42.059 -0.020 0.000 0.947 430 L HN 0.229 nan 8.230 nan 0.000 0.453 431 A N -0.741 122.141 122.820 0.105 0.000 2.178 431 A HA -0.010 4.307 4.320 -0.006 0.000 0.211 431 A C 2.229 179.959 177.584 0.244 0.000 1.157 431 A CA 0.507 52.661 52.037 0.195 0.000 0.780 431 A CB -0.353 18.855 19.000 0.346 0.000 0.828 431 A HN 0.140 nan 8.150 nan 0.000 0.476 432 V N -0.001 119.933 119.914 0.033 0.000 2.594 432 V HA -0.268 3.848 4.120 -0.006 0.000 0.253 432 V C 2.012 177.973 176.094 -0.223 0.000 1.069 432 V CA 2.544 64.731 62.300 -0.188 0.000 1.082 432 V CB -0.909 30.597 31.823 -0.528 0.000 0.680 432 V HN 0.808 nan 8.190 nan 0.000 0.469 433 H N -1.017 117.996 119.070 -0.095 0.000 2.548 433 H HA 0.095 4.647 4.556 -0.006 0.000 0.268 433 H C 2.311 177.598 175.328 -0.067 0.000 0.975 433 H CA 0.935 56.878 56.048 -0.174 0.000 1.195 433 H CB 0.055 29.645 29.762 -0.287 0.000 1.397 433 H HN 0.405 nan 8.280 nan 0.000 0.572 434 S N 0.032 115.779 115.700 0.077 0.000 2.555 434 S HA 0.167 4.633 4.470 -0.006 0.000 0.230 434 S C 1.013 175.632 174.600 0.032 0.000 0.978 434 S CA 0.535 58.758 58.200 0.038 0.000 0.934 434 S CB -0.070 63.156 63.200 0.043 0.000 0.766 434 S HN 0.795 nan 8.310 nan 0.000 0.533 435 G N 1.014 109.853 108.800 0.065 0.000 2.497 435 G HA2 -0.044 3.913 3.960 -0.006 0.000 0.686 435 G HA3 -0.044 3.913 3.960 -0.006 0.000 0.686 435 G C -2.878 171.873 174.900 -0.248 0.000 1.288 435 G CA -0.730 44.346 45.100 -0.040 0.000 0.899 435 G HN 0.012 nan 8.290 nan 0.000 0.608 436 P HA 0.073 nan 4.420 nan 0.000 0.219 436 P C 1.074 178.137 177.300 -0.395 0.000 1.150 436 P CA 1.825 64.255 63.100 -1.116 0.000 0.814 436 P CB 0.035 31.157 31.700 -0.964 0.000 0.787 437 D N -0.535 119.737 120.400 -0.214 0.000 2.137 437 D HA -0.134 4.502 4.640 -0.006 0.000 0.202 437 D C 1.944 178.241 176.300 -0.004 0.000 0.970 437 D CA 0.775 54.726 54.000 -0.083 0.000 0.837 437 D CB -0.717 40.042 40.800 -0.067 0.000 0.981 437 D HN 0.106 nan 8.370 nan 0.000 0.475 438 E N -0.350 119.853 120.200 0.005 0.000 2.106 438 E HA -0.183 4.163 4.350 -0.006 0.000 0.192 438 E C 1.697 178.372 176.600 0.124 0.000 0.984 438 E CA 0.665 57.093 56.400 0.047 0.000 0.806 438 E CB -0.324 29.390 29.700 0.025 0.000 0.750 438 E HN 0.404 nan 8.360 nan 0.000 0.458 439 Y N 0.581 120.907 120.300 0.044 0.000 2.165 439 Y HA -0.264 4.282 4.550 -0.006 0.000 0.286 439 Y C 2.380 178.430 175.900 0.250 0.000 1.155 439 Y CA 2.272 60.479 58.100 0.178 0.000 1.164 439 Y CB -0.090 38.450 38.460 0.133 0.000 0.978 439 Y HN -0.038 nan 8.280 nan 0.000 0.513 440 R N 0.395 121.040 120.500 0.241 0.000 2.073 440 R HA -0.146 4.190 4.340 -0.006 0.000 0.234 440 R C 2.589 178.984 176.300 0.158 0.000 1.134 440 R CA 1.867 58.072 56.100 0.176 0.000 0.952 440 R CB -0.468 29.897 30.300 0.109 0.000 0.850 440 R HN 0.314 nan 8.270 nan 0.000 0.433 441 R N 0.046 120.626 120.500 0.134 0.000 2.075 441 R HA -0.066 4.270 4.340 -0.006 0.000 0.232 441 R C 2.139 178.587 176.300 0.248 0.000 1.126 441 R CA 1.545 57.737 56.100 0.154 0.000 0.963 441 R CB -0.281 30.093 30.300 0.124 0.000 0.858 441 R HN 0.289 nan 8.270 nan 0.000 0.435 442 L N -0.419 120.888 121.223 0.140 0.000 2.191 442 L HA -0.117 4.219 4.340 -0.006 0.000 0.212 442 L C 1.215 178.051 176.870 -0.056 0.000 1.103 442 L CA 1.131 55.952 54.840 -0.033 0.000 0.769 442 L CB -0.056 41.841 42.059 -0.270 0.000 0.908 442 L HN 0.173 nan 8.230 nan 0.000 0.438 443 F N -1.609 118.395 119.950 0.090 0.000 2.661 443 F HA 0.090 4.613 4.527 -0.006 0.000 0.306 443 F C 2.018 177.952 175.800 0.223 0.000 1.094 443 F CA -0.174 57.925 58.000 0.166 0.000 1.254 443 F CB 0.143 39.055 39.000 -0.146 0.000 1.040 443 F HN -0.099 nan 8.300 nan 0.000 0.562 444 E N 2.103 122.460 120.200 0.262 0.000 2.085 444 E HA -0.156 4.190 4.350 -0.006 0.000 0.194 444 E C -0.556 176.063 176.600 0.032 0.000 0.994 444 E CA 1.585 58.061 56.400 0.126 0.000 0.801 444 E CB -1.054 28.680 29.700 0.057 0.000 0.743 444 E HN 0.145 nan 8.360 nan 0.000 0.453 445 P HA -0.101 nan 4.420 nan 0.000 0.230 445 P C 0.348 177.467 177.300 -0.301 0.000 1.158 445 P CA 0.962 63.874 63.100 -0.312 0.000 0.769 445 P CB -0.077 31.269 31.700 -0.589 0.000 0.807 446 F N -0.659 119.351 119.950 0.100 0.000 2.727 446 F HA 0.138 4.661 4.527 -0.007 0.000 0.302 446 F C 1.292 177.204 175.800 0.186 0.000 1.097 446 F CA -0.194 57.927 58.000 0.202 0.000 1.330 446 F CB -0.158 38.992 39.000 0.251 0.000 1.084 446 F HN -0.202 nan 8.300 nan 0.000 0.578 447 Q N 0.639 120.583 119.800 0.240 0.000 2.313 447 Q HA 0.317 4.653 4.340 -0.006 0.000 0.266 447 Q C 1.349 177.405 176.000 0.093 0.000 0.989 447 Q CA 0.786 56.685 55.803 0.160 0.000 0.890 447 Q CB 0.799 29.604 28.738 0.111 0.000 1.200 447 Q HN 0.522 nan 8.270 nan 0.000 0.396 448 G N 1.866 110.709 108.800 0.072 0.000 2.253 448 G HA2 -0.296 3.661 3.960 -0.006 0.000 0.251 448 G HA3 -0.296 3.661 3.960 -0.006 0.000 0.251 448 G C 0.609 175.491 174.900 -0.030 0.000 0.998 448 G CA 0.480 45.590 45.100 0.017 0.000 0.621 448 G HN 0.522 nan 8.290 nan 0.000 0.524 449 L N -1.738 119.474 121.223 -0.018 0.000 2.362 449 L HA 0.556 4.892 4.340 -0.006 0.000 0.204 449 L C 0.906 177.483 176.870 -0.489 0.000 1.060 449 L CA 0.393 55.094 54.840 -0.232 0.000 0.827 449 L CB 0.113 42.094 42.059 -0.129 0.000 1.027 449 L HN 0.145 nan 8.230 nan 0.000 0.474 450 F N -1.055 118.973 119.950 0.131 0.000 2.629 450 F HA 0.330 4.853 4.527 -0.006 0.000 0.316 450 F C 0.135 175.979 175.800 0.074 0.000 1.081 450 F CA -1.084 56.977 58.000 0.102 0.000 0.954 450 F CB 1.339 40.411 39.000 0.120 0.000 1.337 450 F HN -0.259 nan 8.300 nan 0.000 0.474 451 E N 2.297 122.652 120.200 0.258 0.000 2.180 451 E HA 0.283 4.629 4.350 -0.006 0.000 0.283 451 E C -1.214 175.444 176.600 0.096 0.000 1.061 451 E CA -0.246 56.235 56.400 0.136 0.000 0.861 451 E CB 0.428 30.184 29.700 0.093 0.000 1.056 451 E HN 0.297 nan 8.360 nan 0.000 0.407 452 I N 6.756 127.366 120.570 0.066 0.000 2.362 452 I HA 0.285 4.451 4.170 -0.006 0.000 0.289 452 I C -2.098 174.010 176.117 -0.016 0.000 0.994 452 I CA -2.901 58.385 61.300 -0.024 0.000 1.158 452 I CB 0.676 38.666 38.000 -0.016 0.000 1.315 452 I HN 0.428 nan 8.210 nan 0.000 0.451 453 P HA 0.102 nan 4.420 nan 0.000 0.267 453 P C -0.024 177.293 177.300 0.029 0.000 1.209 453 P CA -0.152 62.940 63.100 -0.013 0.000 0.763 453 P CB 0.313 31.990 31.700 -0.039 0.000 0.816 454 S N 2.625 118.333 115.700 0.014 0.000 2.552 454 S HA -0.093 4.373 4.470 -0.006 0.000 0.289 454 S C 1.050 175.600 174.600 -0.083 0.000 1.304 454 S CA -0.381 57.834 58.200 0.025 0.000 1.063 454 S CB -0.005 63.207 63.200 0.020 0.000 0.848 454 S HN 0.501 nan 8.310 nan 0.000 0.499 455 Y N 3.565 123.702 120.300 -0.271 0.000 2.228 455 Y HA -0.277 4.269 4.550 -0.007 0.000 0.285 455 Y C 2.529 178.259 175.900 -0.285 0.000 1.178 455 Y CA 2.257 60.023 58.100 -0.557 0.000 1.202 455 Y CB -0.196 37.989 38.460 -0.460 0.000 0.974 455 Y HN 0.802 nan 8.280 nan 0.000 0.527 456 R N -0.112 120.296 120.500 -0.153 0.000 2.090 456 R HA -0.109 4.227 4.340 -0.006 0.000 0.228 456 R C 2.526 178.767 176.300 -0.098 0.000 1.110 456 R CA 1.327 57.357 56.100 -0.116 0.000 0.973 456 R CB -0.349 29.951 30.300 0.001 0.000 0.869 456 R HN 0.518 nan 8.270 nan 0.000 0.440 457 S N -0.114 115.526 115.700 -0.100 0.000 2.423 457 S HA -0.077 4.389 4.470 -0.006 0.000 0.231 457 S C 1.839 176.380 174.600 -0.099 0.000 1.014 457 S CA 0.772 58.929 58.200 -0.072 0.000 0.965 457 S CB -0.137 63.032 63.200 -0.053 0.000 0.785 457 S HN 0.325 nan 8.310 nan 0.000 0.495 458 L N -1.159 119.952 121.223 -0.186 0.000 2.354 458 L HA 0.235 4.571 4.340 -0.006 0.000 0.212 458 L C 2.424 179.189 176.870 -0.175 0.000 1.091 458 L CA 0.638 55.360 54.840 -0.196 0.000 0.828 458 L CB -0.387 41.502 42.059 -0.284 0.000 0.973 458 L HN 0.269 nan 8.230 nan 0.000 0.461 459 Y N 0.862 120.927 120.300 -0.393 0.000 2.163 459 Y HA -0.183 4.363 4.550 -0.007 0.000 0.288 459 Y C 2.270 178.179 175.900 0.016 0.000 1.136 459 Y CA 1.525 59.467 58.100 -0.262 0.000 1.147 459 Y CB -0.042 38.126 38.460 -0.486 0.000 0.987 459 Y HN -0.025 nan 8.280 nan 0.000 0.509 460 L N 0.039 121.295 121.223 0.055 0.000 2.131 460 L HA -0.196 4.140 4.340 -0.006 0.000 0.210 460 L C 2.588 179.436 176.870 -0.037 0.000 1.092 460 L CA 1.661 56.513 54.840 0.019 0.000 0.759 460 L CB -0.459 41.627 42.059 0.045 0.000 0.903 460 L HN 0.178 nan 8.230 nan 0.000 0.435 461 R N -0.315 120.168 120.500 -0.029 0.000 2.075 461 R HA -0.238 4.098 4.340 -0.006 0.000 0.232 461 R C 2.232 178.520 176.300 -0.020 0.000 1.126 461 R CA 1.567 57.649 56.100 -0.029 0.000 0.963 461 R CB -0.651 29.636 30.300 -0.022 0.000 0.858 461 R HN 0.389 nan 8.270 nan 0.000 0.435 462 W N 0.453 121.639 121.300 -0.191 0.000 2.363 462 W HA -0.131 4.525 4.660 -0.007 0.000 0.296 462 W C 1.504 177.913 176.519 -0.184 0.000 1.212 462 W CA 1.444 58.687 57.345 -0.171 0.000 1.260 462 W CB -0.252 29.098 29.460 -0.183 0.000 1.131 462 W HN -0.067 nan 8.180 nan 0.000 0.530 463 V N 1.329 121.014 119.914 -0.383 0.000 2.407 463 V HA -0.336 3.780 4.120 -0.006 0.000 0.248 463 V C 2.096 177.947 176.094 -0.405 0.000 1.055 463 V CA 2.338 64.319 62.300 -0.531 0.000 1.049 463 V CB -1.278 30.380 31.823 -0.274 0.000 0.662 463 V HN 0.323 nan 8.190 nan 0.000 0.455 464 N N 0.146 118.692 118.700 -0.258 0.000 2.331 464 N HA -0.061 4.676 4.740 -0.006 0.000 0.180 464 N C 1.654 177.027 175.510 -0.228 0.000 1.019 464 N CA 1.264 54.197 53.050 -0.195 0.000 0.881 464 N CB -0.146 38.271 38.487 -0.116 0.000 0.972 464 N HN 0.432 nan 8.380 nan 0.000 0.435 465 A N -0.176 122.479 122.820 -0.274 0.000 1.854 465 A HA -0.019 4.298 4.320 -0.006 0.000 0.214 465 A C 2.339 179.728 177.584 -0.326 0.000 1.192 465 A CA 1.385 53.277 52.037 -0.241 0.000 0.611 465 A CB -1.138 17.764 19.000 -0.163 0.000 0.832 465 A HN 0.196 nan 8.150 nan 0.000 0.442 466 V N -1.403 118.180 119.914 -0.552 0.000 2.295 466 V HA -0.127 3.989 4.120 -0.006 0.000 0.246 466 V C 0.932 176.712 176.094 -0.522 0.000 1.049 466 V CA 1.940 63.883 62.300 -0.594 0.000 1.024 466 V CB -0.107 31.155 31.823 -0.935 0.000 0.648 466 V HN 0.721 nan 8.190 nan 0.000 0.447 467 C N -0.150 118.837 119.300 -0.523 0.000 2.607 467 C HA 0.657 5.113 4.460 -0.006 0.000 0.350 467 C C 1.625 176.470 174.990 -0.243 0.000 1.101 467 C CA -0.518 58.282 59.018 -0.365 0.000 1.282 467 C CB 0.469 27.954 27.740 -0.424 0.000 1.825 467 C HN 0.657 nan 8.230 nan 0.000 0.460 468 G N 2.672 111.372 108.800 -0.167 0.000 2.479 468 G HA2 -0.141 3.815 3.960 -0.006 0.000 0.220 468 G HA3 -0.141 3.815 3.960 -0.006 0.000 0.220 468 G C 0.971 175.822 174.900 -0.083 0.000 1.115 468 G CA 1.264 46.295 45.100 -0.115 0.000 0.757 468 G HN 0.866 nan 8.290 nan 0.000 0.560 469 D N 0.849 121.205 120.400 -0.074 0.000 2.213 469 D HA 0.059 4.695 4.640 -0.006 0.000 0.205 469 D C 2.795 179.087 176.300 -0.013 0.000 0.961 469 D CA 0.849 54.828 54.000 -0.034 0.000 0.853 469 D CB -0.278 40.510 40.800 -0.019 0.000 0.967 469 D HN 0.294 nan 8.370 nan 0.000 0.496 470 A N 1.434 124.241 122.820 -0.022 0.000 1.948 470 A HA -0.126 4.190 4.320 -0.006 0.000 0.220 470 A C 2.304 179.907 177.584 0.033 0.000 1.177 470 A CA 2.219 54.290 52.037 0.057 0.000 0.636 470 A CB -0.507 18.542 19.000 0.081 0.000 0.815 470 A HN 0.255 nan 8.150 nan 0.000 0.449 471 A N -0.687 122.119 122.820 -0.025 0.000 1.930 471 A HA 0.351 4.667 4.320 -0.006 0.000 0.215 471 A C 2.422 180.007 177.584 0.001 0.000 1.176 471 A CA 1.565 53.593 52.037 -0.015 0.000 0.632 471 A CB -0.766 18.206 19.000 -0.047 0.000 0.819 471 A HN 0.984 nan 8.150 nan 0.000 0.445 472 A N -0.340 122.476 122.820 -0.007 0.000 1.968 472 A HA 0.112 4.428 4.320 -0.006 0.000 0.217 472 A C 2.040 179.630 177.584 0.010 0.000 1.169 472 A CA 1.145 53.182 52.037 -0.001 0.000 0.638 472 A CB -0.469 18.526 19.000 -0.009 0.000 0.812 472 A HN 0.435 nan 8.150 nan 0.000 0.446 473 L N -0.400 120.833 121.223 0.017 0.000 2.217 473 L HA -0.030 4.306 4.340 -0.006 0.000 0.211 473 L C 0.928 177.815 176.870 0.027 0.000 1.107 473 L CA 0.399 55.253 54.840 0.023 0.000 0.783 473 L CB -0.226 41.852 42.059 0.032 0.000 0.919 473 L HN 0.314 nan 8.230 nan 0.000 0.442 474 E N 0.000 120.221 120.200 0.034 0.000 2.725 474 E HA 0.000 4.346 4.350 -0.006 0.000 0.291 474 E CA 0.000 56.424 56.400 0.041 0.000 0.976 474 E CB 0.000 29.737 29.700 0.061 0.000 0.812 474 E HN 0.000 nan 8.360 nan 0.000 0.440