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 3ekb_1_B DATA FIRST_RESID 2 DATA SEQUENCE IKEMPQPKTF GELKNLPLLN TDKPVQALMK IADELGEIFK FEAPGRVTRY DATA SEQUENCE LSSQRLIKEA CDESRFDKNL SQALKFVRDF AGDGLFTSWT HEKNWKKAHN DATA SEQUENCE ILLPSFSQQA MKGYHAMMVD IAVQLVQKWE RLNADEHIEV PEDMTRLTLD DATA SEQUENCE TIGLCGFNYR FNSFYRDQPH PFITSMVRAL DEAMNKLQRA NPDDPAYDEN DATA SEQUENCE KRQFQEDIKV MNDLVDKIIA DRKASGEQSD DLLTHMLNGK DPETGEPLDD DATA SEQUENCE ENIRYQIITF LICGHETTSG LLSFALYFLV KNPHVLQKAA EEAARVLVDP DATA SEQUENCE VPSYKQVKQL KYVGMVLNEA LRLWPTAPAF SLYAKEDTVL GGEYPLEKGD DATA SEQUENCE ELMVLIPQLH RDKTIWGDDV EEFRPERFEN PSAIPQHAFK PFGNGQRACI DATA SEQUENCE GQQFALHEAT LVLGMMLKHF DFEDHTNYEL DIKETLTLKP EGFVVKAKSK DATA SEQUENCE KIPLGGI 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.026 176.117 -0.152 0.000 1.063 2 I CA 0.000 61.233 61.300 -0.111 0.000 1.566 2 I CB 0.000 37.971 38.000 -0.048 0.000 1.214 3 K N 1.226 121.516 120.400 -0.184 0.000 2.553 3 K HA 0.954 5.274 4.320 -0.000 0.000 0.250 3 K C -0.303 176.315 176.600 0.030 0.000 0.953 3 K CA 0.296 56.512 56.287 -0.118 0.000 0.800 3 K CB 0.668 33.028 32.500 -0.232 0.000 1.243 3 K HN 2.716 nan 8.250 nan 0.000 0.435 4 E N 2.047 122.279 120.200 0.054 0.000 2.417 4 E HA 0.432 4.782 4.350 -0.000 0.000 0.261 4 E C 0.114 176.801 176.600 0.145 0.000 1.000 4 E CA 0.008 56.462 56.400 0.090 0.000 0.919 4 E CB 0.338 30.072 29.700 0.056 0.000 0.955 4 E HN 0.706 nan 8.360 nan 0.000 0.455 5 M N 4.023 123.726 119.600 0.171 0.000 2.157 5 M HA 0.395 4.875 4.480 -0.000 0.000 0.354 5 M C -2.270 174.113 176.300 0.138 0.000 1.170 5 M CA -1.797 53.622 55.300 0.199 0.000 1.060 5 M CB 1.454 34.169 32.600 0.191 0.000 1.615 5 M HN 0.352 nan 8.290 nan 0.000 0.460 6 P HA 0.053 nan 4.420 nan 0.000 0.272 6 P C -1.539 175.845 177.300 0.141 0.000 1.243 6 P CA -0.053 63.119 63.100 0.119 0.000 0.803 6 P CB 0.413 32.184 31.700 0.120 0.000 0.974 7 Q N -0.008 119.843 119.800 0.086 0.000 2.380 7 Q HA 0.131 4.471 4.340 -0.000 0.000 0.245 7 Q C -2.069 173.921 176.000 -0.018 0.000 0.893 7 Q CA -1.222 54.625 55.803 0.072 0.000 0.922 7 Q CB 2.093 30.858 28.738 0.046 0.000 1.432 7 Q HN 0.278 nan 8.270 nan 0.000 0.434 8 P HA -0.158 nan 4.420 nan 0.000 0.224 8 P C -0.241 177.013 177.300 -0.078 0.000 1.142 8 P CA 1.620 64.650 63.100 -0.117 0.000 0.778 8 P CB 0.017 31.650 31.700 -0.113 0.000 0.764 9 K N -0.914 119.439 120.400 -0.077 0.000 3.482 9 K HA 0.099 4.419 4.320 -0.000 0.000 0.971 9 K C 0.245 176.788 176.600 -0.095 0.000 1.565 9 K CA 0.306 56.536 56.287 -0.096 0.000 1.237 9 K CB -2.964 29.461 32.500 -0.124 0.000 3.260 9 K HN 0.492 nan 8.250 nan 0.000 0.126 10 T N -1.130 113.363 114.554 -0.101 0.000 2.680 10 T HA 0.717 5.067 4.350 -0.000 0.000 0.314 10 T C 0.414 175.015 174.700 -0.165 0.000 1.045 10 T CA 0.830 62.903 62.100 -0.044 0.000 1.025 10 T CB 0.225 69.065 68.868 -0.046 0.000 1.000 10 T HN 1.336 nan 8.240 nan 0.000 0.535 11 F N 0.262 120.184 119.950 -0.048 0.000 2.577 11 F HA 0.510 5.037 4.527 -0.000 0.000 0.359 11 F C 1.366 177.154 175.800 -0.020 0.000 1.535 11 F CA -0.071 57.912 58.000 -0.028 0.000 1.093 11 F CB 0.528 39.515 39.000 -0.022 0.000 1.613 11 F HN 1.112 nan 8.300 nan 0.000 0.558 12 G N 0.932 109.776 108.800 0.073 0.000 4.754 12 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.222 12 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.222 12 G C 0.987 175.916 174.900 0.047 0.000 1.377 12 G CA 1.298 46.428 45.100 0.050 0.000 0.942 12 G HN 0.409 nan 8.290 nan 0.000 0.671 13 E N -1.659 118.580 120.200 0.065 0.000 2.640 13 E HA 0.536 4.886 4.350 -0.000 0.000 0.197 13 E C 2.307 178.937 176.600 0.050 0.000 0.925 13 E CA 1.152 57.581 56.400 0.047 0.000 1.604 13 E CB -0.109 29.616 29.700 0.042 0.000 1.769 13 E HN 1.166 nan 8.360 nan 0.000 0.965 14 L N 0.811 122.075 121.223 0.068 0.000 2.558 14 L HA 0.340 4.680 4.340 -0.000 0.000 0.225 14 L C 1.057 177.957 176.870 0.050 0.000 1.128 14 L CA 0.692 55.563 54.840 0.052 0.000 0.868 14 L CB -1.016 41.064 42.059 0.034 0.000 1.006 14 L HN -0.025 nan 8.230 nan 0.000 0.454 15 K N -0.165 120.279 120.400 0.073 0.000 1.867 15 K HA -0.339 3.981 4.320 -0.000 0.000 0.140 15 K C 0.872 177.504 176.600 0.054 0.000 1.408 15 K CA 2.186 58.496 56.287 0.039 0.000 0.461 15 K CB -1.653 30.834 32.500 -0.023 0.000 0.594 15 K HN 0.676 nan 8.250 nan 0.000 0.888 16 N N 1.865 120.460 118.700 -0.176 0.000 2.521 16 N HA 0.096 4.836 4.740 -0.000 0.000 0.188 16 N C 1.949 177.349 175.510 -0.183 0.000 1.146 16 N CA 0.729 53.567 53.050 -0.353 0.000 0.893 16 N CB -0.239 37.537 38.487 -1.185 0.000 0.975 16 N HN 0.443 nan 8.380 nan 0.000 0.451 17 L N 0.829 122.018 121.223 -0.057 0.000 2.013 17 L HA -0.031 4.309 4.340 -0.000 0.000 0.212 17 L C 0.205 177.036 176.870 -0.065 0.000 1.073 17 L CA 2.072 56.950 54.840 0.062 0.000 0.753 17 L CB -2.419 39.672 42.059 0.052 0.000 0.890 17 L HN 0.119 nan 8.230 nan 0.000 0.432 18 P HA -0.115 nan 4.420 nan 0.000 0.223 18 P C 1.800 178.873 177.300 -0.378 0.000 1.144 18 P CA 0.785 63.540 63.100 -0.575 0.000 0.783 18 P CB -0.149 30.722 31.700 -1.382 0.000 0.771 19 L N -1.658 119.467 121.223 -0.163 0.000 2.141 19 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 19 L C 2.597 179.510 176.870 0.072 0.000 1.094 19 L CA 1.218 56.094 54.840 0.061 0.000 0.763 19 L CB -1.217 40.983 42.059 0.235 0.000 0.908 19 L HN -0.016 nan 8.230 nan 0.000 0.437 20 L N -2.088 119.193 121.223 0.097 0.000 2.599 20 L HA 0.086 4.426 4.340 -0.000 0.000 0.230 20 L C 1.257 178.127 176.870 0.001 0.000 1.141 20 L CA 0.850 55.715 54.840 0.041 0.000 0.877 20 L CB -1.299 40.792 42.059 0.054 0.000 1.009 20 L HN 0.218 nan 8.230 nan 0.000 0.447 21 N N 1.750 120.431 118.700 -0.032 0.000 3.127 21 N HA 0.155 4.895 4.740 -0.000 0.000 0.317 21 N C 0.121 175.615 175.510 -0.027 0.000 1.242 21 N CA 0.904 53.928 53.050 -0.044 0.000 1.203 21 N CB -0.097 38.338 38.487 -0.087 0.000 1.462 21 N HN 0.703 nan 8.380 nan 0.000 0.546 22 T N -1.245 113.300 114.554 -0.015 0.000 2.942 22 T HA 0.084 4.434 4.350 -0.000 0.000 0.327 22 T C 0.145 174.839 174.700 -0.010 0.000 1.360 22 T CA -0.810 61.284 62.100 -0.011 0.000 1.055 22 T CB 0.893 69.757 68.868 -0.006 0.000 1.261 22 T HN 0.247 nan 8.240 nan 0.000 0.485 23 D N 2.336 122.729 120.400 -0.012 0.000 2.363 23 D HA 0.034 4.674 4.640 -0.000 0.000 0.226 23 D C 0.191 176.482 176.300 -0.015 0.000 1.020 23 D CA 0.215 54.207 54.000 -0.012 0.000 0.892 23 D CB 0.224 41.015 40.800 -0.015 0.000 0.900 23 D HN 0.522 nan 8.370 nan 0.000 0.531 24 K N 0.884 121.275 120.400 -0.015 0.000 3.098 24 K HA 0.183 4.503 4.320 -0.000 0.000 0.170 24 K C -2.112 174.482 176.600 -0.011 0.000 1.106 24 K CA -1.268 55.010 56.287 -0.016 0.000 0.864 24 K CB 2.271 34.755 32.500 -0.025 0.000 1.047 24 K HN -0.124 nan 8.250 nan 0.000 0.609 25 P HA -0.144 nan 4.420 nan 0.000 0.215 25 P C 1.400 178.676 177.300 -0.039 0.000 1.157 25 P CA 0.927 64.010 63.100 -0.028 0.000 0.863 25 P CB 0.277 31.958 31.700 -0.033 0.000 0.787 26 V N 0.540 120.446 119.914 -0.012 0.000 2.343 26 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 26 V C 2.877 178.991 176.094 0.034 0.000 1.051 26 V CA 1.908 64.210 62.300 0.003 0.000 1.036 26 V CB -1.609 30.244 31.823 0.050 0.000 0.654 26 V HN 0.089 nan 8.190 nan 0.000 0.451 27 Q N -0.001 119.834 119.800 0.058 0.000 2.135 27 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 27 Q C 2.384 178.406 176.000 0.036 0.000 0.981 27 Q CA 1.891 57.744 55.803 0.082 0.000 0.856 27 Q CB -0.479 28.291 28.738 0.054 0.000 0.902 27 Q HN 0.688 nan 8.270 nan 0.000 0.425 28 A N 0.258 123.081 122.820 0.004 0.000 1.972 28 A HA -0.146 4.173 4.320 -0.000 0.000 0.219 28 A C 1.926 179.485 177.584 -0.042 0.000 1.169 28 A CA 1.112 53.141 52.037 -0.013 0.000 0.635 28 A CB -0.397 18.598 19.000 -0.009 0.000 0.810 28 A HN 0.317 nan 8.150 nan 0.000 0.446 29 L N -1.597 119.588 121.223 -0.064 0.000 2.307 29 L HA -0.000 4.339 4.340 -0.000 0.000 0.211 29 L C 2.665 179.521 176.870 -0.024 0.000 1.099 29 L CA 0.516 55.298 54.840 -0.096 0.000 0.816 29 L CB -0.269 41.648 42.059 -0.238 0.000 0.952 29 L HN 0.376 nan 8.230 nan 0.000 0.455 30 M N -0.569 119.032 119.600 0.002 0.000 2.086 30 M HA -0.248 4.232 4.480 -0.000 0.000 0.261 30 M C 2.292 178.593 176.300 0.003 0.000 1.067 30 M CA 1.783 57.096 55.300 0.022 0.000 1.116 30 M CB -0.322 32.305 32.600 0.046 0.000 1.348 30 M HN 0.032 nan 8.290 nan 0.000 0.407 31 K N 0.646 121.042 120.400 -0.007 0.000 2.113 31 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 31 K C 1.685 178.235 176.600 -0.083 0.000 1.047 31 K CA 1.395 57.665 56.287 -0.027 0.000 0.928 31 K CB -0.235 32.255 32.500 -0.016 0.000 0.716 31 K HN 0.317 nan 8.250 nan 0.000 0.446 32 I N 0.254 120.728 120.570 -0.160 0.000 2.286 32 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 32 I C 2.348 178.268 176.117 -0.328 0.000 1.104 32 I CA 1.013 62.104 61.300 -0.349 0.000 1.397 32 I CB -0.294 37.299 38.000 -0.679 0.000 1.072 32 I HN 0.132 nan 8.210 nan 0.000 0.417 33 A N 0.219 122.962 122.820 -0.130 0.000 2.024 33 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 33 A C 1.889 179.496 177.584 0.039 0.000 1.164 33 A CA 2.038 54.140 52.037 0.108 0.000 0.643 33 A CB -0.515 18.609 19.000 0.206 0.000 0.806 33 A HN 0.343 nan 8.150 nan 0.000 0.451 34 D N -0.725 119.671 120.400 -0.006 0.000 2.234 34 D HA -0.031 4.609 4.640 -0.000 0.000 0.205 34 D C 1.869 178.164 176.300 -0.009 0.000 0.962 34 D CA 0.901 54.902 54.000 0.001 0.000 0.855 34 D CB -0.114 40.685 40.800 -0.002 0.000 0.951 34 D HN 0.648 nan 8.370 nan 0.000 0.500 35 E N -0.449 119.727 120.200 -0.040 0.000 2.170 35 E HA 0.079 4.429 4.350 -0.000 0.000 0.191 35 E C 1.589 178.170 176.600 -0.033 0.000 0.981 35 E CA 0.428 56.800 56.400 -0.046 0.000 0.830 35 E CB 0.446 30.097 29.700 -0.082 0.000 0.775 35 E HN 0.241 nan 8.360 nan 0.000 0.470 36 L N -1.260 119.944 121.223 -0.031 0.000 2.781 36 L HA 0.370 4.710 4.340 -0.000 0.000 0.245 36 L C 1.000 177.918 176.870 0.079 0.000 1.118 36 L CA 0.116 54.962 54.840 0.010 0.000 0.918 36 L CB 0.613 42.649 42.059 -0.037 0.000 1.246 36 L HN 0.161 nan 8.230 nan 0.000 0.526 37 G N 2.154 111.004 108.800 0.083 0.000 2.472 37 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.205 37 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.205 37 G C 0.334 175.299 174.900 0.109 0.000 1.270 37 G CA 0.101 45.255 45.100 0.090 0.000 0.974 37 G HN 0.389 nan 8.290 nan 0.000 0.542 38 E N -0.697 119.547 120.200 0.073 0.000 2.358 38 E HA 0.376 4.726 4.350 -0.000 0.000 0.195 38 E C 1.197 177.780 176.600 -0.028 0.000 1.010 38 E CA 0.980 57.399 56.400 0.032 0.000 0.856 38 E CB 0.911 30.625 29.700 0.023 0.000 0.795 38 E HN 0.783 nan 8.360 nan 0.000 0.504 39 I N 0.442 120.995 120.570 -0.028 0.000 2.752 39 I HA 0.443 4.613 4.170 -0.000 0.000 0.295 39 I C -1.801 174.359 176.117 0.070 0.000 1.219 39 I CA -1.409 59.812 61.300 -0.132 0.000 1.030 39 I CB 1.588 39.353 38.000 -0.391 0.000 1.259 39 I HN 0.049 nan 8.210 nan 0.000 0.423 40 F N 4.284 124.227 119.950 -0.011 0.000 2.631 40 F HA 0.830 5.357 4.527 -0.000 0.000 0.308 40 F C -0.711 175.154 175.800 0.109 0.000 1.097 40 F CA -0.817 57.208 58.000 0.042 0.000 0.952 40 F CB 0.537 39.577 39.000 0.066 0.000 1.307 40 F HN 0.471 nan 8.300 nan 0.000 0.450 41 K N 1.577 122.144 120.400 0.278 0.000 2.174 41 K HA 0.708 5.028 4.320 -0.000 0.000 0.275 41 K C -2.083 174.774 176.600 0.428 0.000 1.015 41 K CA -0.382 56.038 56.287 0.223 0.000 0.933 41 K CB 1.082 33.665 32.500 0.138 0.000 1.025 41 K HN 0.752 nan 8.250 nan 0.000 0.463 42 F N 1.667 121.759 119.950 0.238 0.000 2.507 42 F HA 0.351 4.878 4.527 -0.000 0.000 0.328 42 F C -0.311 175.591 175.800 0.170 0.000 1.136 42 F CA -0.672 57.499 58.000 0.284 0.000 0.930 42 F CB 1.869 41.125 39.000 0.427 0.000 1.166 42 F HN 0.694 nan 8.300 nan 0.000 0.436 43 E N 4.406 124.558 120.200 -0.079 0.000 2.179 43 E HA 0.728 5.078 4.350 -0.000 0.000 0.275 43 E C -1.011 175.581 176.600 -0.013 0.000 0.945 43 E CA -0.992 55.413 56.400 0.007 0.000 0.792 43 E CB 1.973 31.663 29.700 -0.016 0.000 1.125 43 E HN 0.654 nan 8.360 nan 0.000 0.397 44 A N 3.448 126.339 122.820 0.118 0.000 2.387 44 A HA 0.642 4.961 4.320 -0.000 0.000 0.303 44 A C -2.532 175.095 177.584 0.071 0.000 1.145 44 A CA -1.924 50.180 52.037 0.113 0.000 0.801 44 A CB 0.669 19.785 19.000 0.193 0.000 1.342 44 A HN 0.355 nan 8.150 nan 0.000 0.440 45 P HA 0.199 nan 4.420 nan 0.000 0.255 45 P C 0.845 178.175 177.300 0.049 0.000 1.173 45 P CA 2.364 65.494 63.100 0.049 0.000 0.780 45 P CB 0.042 31.771 31.700 0.049 0.000 0.758 46 G N 2.660 111.483 108.800 0.039 0.000 2.141 46 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.242 46 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.242 46 G C -0.077 174.841 174.900 0.030 0.000 0.982 46 G CA -0.179 44.940 45.100 0.031 0.000 0.662 46 G HN 0.764 nan 8.290 nan 0.000 0.527 47 R N -1.807 118.721 120.500 0.046 0.000 2.579 47 R HA 0.704 5.044 4.340 -0.000 0.000 0.260 47 R C -1.932 174.416 176.300 0.080 0.000 1.103 47 R CA -0.756 55.376 56.100 0.052 0.000 0.942 47 R CB 1.843 32.172 30.300 0.048 0.000 1.251 47 R HN 0.771 nan 8.270 nan 0.000 0.450 48 V N 1.492 121.446 119.914 0.067 0.000 2.638 48 V HA 0.656 4.776 4.120 -0.000 0.000 0.306 48 V C -1.177 174.948 176.094 0.052 0.000 1.052 48 V CA -0.169 62.180 62.300 0.081 0.000 0.885 48 V CB 2.173 34.031 31.823 0.058 0.000 0.999 48 V HN 0.960 nan 8.190 nan 0.000 0.424 49 T N 5.920 120.515 114.554 0.068 0.000 2.906 49 T HA 0.688 5.038 4.350 -0.000 0.000 0.295 49 T C -0.836 173.813 174.700 -0.085 0.000 1.075 49 T CA -0.694 61.367 62.100 -0.066 0.000 1.005 49 T CB 1.437 70.183 68.868 -0.204 0.000 1.136 49 T HN 0.764 nan 8.240 nan 0.000 0.498 50 R N 2.238 122.606 120.500 -0.219 0.000 2.265 50 R HA 0.424 4.764 4.340 -0.000 0.000 0.328 50 R C -1.249 174.767 176.300 -0.473 0.000 0.969 50 R CA -0.472 55.476 56.100 -0.254 0.000 0.832 50 R CB 0.654 30.830 30.300 -0.206 0.000 1.139 50 R HN 0.535 nan 8.270 nan 0.000 0.457 51 Y N 3.458 123.380 120.300 -0.630 0.000 2.480 51 Y HA 0.143 4.693 4.550 -0.000 0.000 0.341 51 Y C 0.310 175.873 175.900 -0.562 0.000 1.031 51 Y CA -0.078 57.594 58.100 -0.713 0.000 1.295 51 Y CB 0.597 38.367 38.460 -1.150 0.000 1.162 51 Y HN 0.283 nan 8.280 nan 0.000 0.523 52 L N 3.091 124.135 121.223 -0.299 0.000 2.275 52 L HA 0.291 4.631 4.340 -0.000 0.000 0.288 52 L C 0.613 177.391 176.870 -0.153 0.000 1.046 52 L CA -0.119 54.576 54.840 -0.242 0.000 0.805 52 L CB 1.430 43.312 42.059 -0.295 0.000 1.193 52 L HN 0.663 nan 8.230 nan 0.000 0.426 53 S N 0.052 115.702 115.700 -0.084 0.000 2.632 53 S HA 0.080 4.550 4.470 -0.000 0.000 0.237 53 S C 0.347 174.942 174.600 -0.009 0.000 1.037 53 S CA -0.303 57.880 58.200 -0.029 0.000 1.009 53 S CB 0.600 63.821 63.200 0.036 0.000 0.974 53 S HN 0.771 nan 8.310 nan 0.000 0.544 54 S N 0.567 116.255 115.700 -0.020 0.000 2.532 54 S HA 0.438 4.908 4.470 -0.000 0.000 0.301 54 S C 0.532 175.140 174.600 0.013 0.000 1.083 54 S CA -0.570 57.639 58.200 0.016 0.000 1.025 54 S CB 1.683 64.895 63.200 0.021 0.000 1.056 54 S HN 0.030 nan 8.310 nan 0.000 0.494 55 Q N 1.734 121.564 119.800 0.049 0.000 2.167 55 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 55 Q C 1.938 177.960 176.000 0.038 0.000 0.970 55 Q CA 1.875 57.714 55.803 0.060 0.000 0.855 55 Q CB -0.190 28.594 28.738 0.077 0.000 0.911 55 Q HN 0.943 nan 8.270 nan 0.000 0.438 56 R N -0.711 119.805 120.500 0.027 0.000 2.090 56 R HA 0.010 4.350 4.340 -0.000 0.000 0.228 56 R C 2.405 178.713 176.300 0.014 0.000 1.110 56 R CA 1.088 57.205 56.100 0.028 0.000 0.973 56 R CB -0.670 29.649 30.300 0.032 0.000 0.869 56 R HN 0.177 nan 8.270 nan 0.000 0.440 57 L N 0.525 121.744 121.223 -0.007 0.000 2.072 57 L HA 0.000 4.340 4.340 -0.000 0.000 0.205 57 L C 2.482 179.281 176.870 -0.119 0.000 1.079 57 L CA 1.124 55.932 54.840 -0.052 0.000 0.752 57 L CB -0.382 41.630 42.059 -0.080 0.000 0.906 57 L HN 0.150 nan 8.230 nan 0.000 0.436 58 I N 0.498 121.001 120.570 -0.112 0.000 2.286 58 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 58 I C 2.457 178.492 176.117 -0.136 0.000 1.115 58 I CA 1.400 62.608 61.300 -0.153 0.000 1.392 58 I CB -0.301 37.633 38.000 -0.111 0.000 1.065 58 I HN 0.296 nan 8.210 nan 0.000 0.418 59 K N 0.660 121.040 120.400 -0.033 0.000 2.211 59 K HA -0.181 4.139 4.320 -0.000 0.000 0.204 59 K C 1.772 178.343 176.600 -0.048 0.000 1.047 59 K CA 1.385 57.684 56.287 0.020 0.000 0.935 59 K CB -0.287 32.306 32.500 0.156 0.000 0.728 59 K HN 0.399 nan 8.250 nan 0.000 0.452 60 E N 0.679 120.848 120.200 -0.053 0.000 2.102 60 E HA 0.006 4.356 4.350 -0.000 0.000 0.190 60 E C 2.213 178.765 176.600 -0.080 0.000 0.971 60 E CA 0.542 56.949 56.400 0.012 0.000 0.821 60 E CB -0.012 29.715 29.700 0.046 0.000 0.777 60 E HN 0.398 nan 8.360 nan 0.000 0.460 61 A N 0.789 123.355 122.820 -0.423 0.000 1.917 61 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 61 A C 2.240 179.601 177.584 -0.372 0.000 1.182 61 A CA 1.373 52.900 52.037 -0.849 0.000 0.633 61 A CB -0.833 17.759 19.000 -0.681 0.000 0.819 61 A HN 0.384 nan 8.150 nan 0.000 0.448 62 C N 0.431 119.560 119.300 -0.285 0.000 2.539 62 C HA 0.084 4.544 4.460 -0.000 0.000 0.271 62 C C 0.888 175.810 174.990 -0.114 0.000 1.412 62 C CA -0.337 58.519 59.018 -0.270 0.000 1.729 62 C CB -1.667 25.637 27.740 -0.728 0.000 1.739 62 C HN 0.543 nan 8.230 nan 0.000 0.570 63 D N 1.616 122.041 120.400 0.042 0.000 2.367 63 D HA -0.000 4.639 4.640 -0.000 0.000 0.255 63 D C 1.133 177.513 176.300 0.134 0.000 1.300 63 D CA 0.273 54.351 54.000 0.130 0.000 0.959 63 D CB 0.220 41.128 40.800 0.180 0.000 1.064 63 D HN 0.501 nan 8.370 nan 0.000 0.509 64 E N 1.206 121.449 120.200 0.072 0.000 2.331 64 E HA -0.162 4.188 4.350 -0.000 0.000 0.199 64 E C 1.665 178.252 176.600 -0.021 0.000 1.008 64 E CA 0.857 57.273 56.400 0.027 0.000 0.843 64 E CB 0.088 29.802 29.700 0.022 0.000 0.761 64 E HN 0.503 nan 8.360 nan 0.000 0.507 65 S N 0.682 116.370 115.700 -0.020 0.000 2.461 65 S HA -0.023 4.447 4.470 -0.000 0.000 0.228 65 S C 1.813 176.323 174.600 -0.150 0.000 1.005 65 S CA 0.393 58.554 58.200 -0.065 0.000 0.942 65 S CB 0.042 63.218 63.200 -0.039 0.000 0.776 65 S HN 0.197 nan 8.310 nan 0.000 0.514 66 R N -0.442 119.934 120.500 -0.205 0.000 2.225 66 R HA 0.383 4.722 4.340 -0.000 0.000 0.194 66 R C -0.747 175.046 176.300 -0.845 0.000 0.957 66 R CA 0.283 56.075 56.100 -0.513 0.000 1.042 66 R CB 0.271 30.206 30.300 -0.608 0.000 1.004 66 R HN 0.368 nan 8.270 nan 0.000 0.509 67 F N 0.485 120.326 119.950 -0.181 0.000 2.539 67 F HA 0.313 4.840 4.527 -0.000 0.000 0.318 67 F C -0.282 175.327 175.800 -0.320 0.000 1.135 67 F CA -1.509 56.329 58.000 -0.270 0.000 0.915 67 F CB 1.637 40.525 39.000 -0.186 0.000 1.176 67 F HN -0.237 nan 8.300 nan 0.000 0.440 68 D N 1.895 122.045 120.400 -0.418 0.000 2.268 68 D HA 0.199 4.839 4.640 -0.000 0.000 0.249 68 D C -0.594 175.596 176.300 -0.183 0.000 1.008 68 D CA -0.791 53.002 54.000 -0.344 0.000 0.939 68 D CB 1.413 41.962 40.800 -0.419 0.000 1.170 68 D HN 0.501 nan 8.370 nan 0.000 0.468 69 K N 1.872 122.247 120.400 -0.043 0.000 2.491 69 K HA -0.059 4.261 4.320 -0.000 0.000 0.279 69 K C -0.397 176.323 176.600 0.199 0.000 1.026 69 K CA 0.053 56.352 56.287 0.020 0.000 1.070 69 K CB 0.129 32.560 32.500 -0.115 0.000 0.887 69 K HN 0.338 nan 8.250 nan 0.000 0.481 70 N N 3.738 122.540 118.700 0.170 0.000 2.466 70 N HA 0.258 4.998 4.740 -0.000 0.000 0.294 70 N C -1.272 174.088 175.510 -0.250 0.000 1.129 70 N CA -0.718 52.460 53.050 0.213 0.000 0.931 70 N CB 0.835 39.496 38.487 0.290 0.000 1.193 70 N HN 0.509 nan 8.380 nan 0.000 0.500 71 L N 2.445 123.282 121.223 -0.643 0.000 2.282 71 L HA 0.332 4.672 4.340 -0.000 0.000 0.287 71 L C 0.507 177.160 176.870 -0.362 0.000 1.075 71 L CA -0.748 53.687 54.840 -0.675 0.000 0.839 71 L CB 0.265 41.687 42.059 -1.062 0.000 1.219 71 L HN 0.608 nan 8.230 nan 0.000 0.434 72 S N 0.881 116.414 115.700 -0.279 0.000 2.580 72 S HA -0.017 4.452 4.470 -0.000 0.000 0.266 72 S C 0.919 175.370 174.600 -0.248 0.000 1.354 72 S CA -0.517 57.563 58.200 -0.201 0.000 1.008 72 S CB 1.161 64.259 63.200 -0.170 0.000 0.898 72 S HN 0.622 nan 8.310 nan 0.000 0.555 73 Q N 1.229 120.888 119.800 -0.236 0.000 2.173 73 Q HA -0.158 4.182 4.340 -0.000 0.000 0.208 73 Q C 2.130 177.882 176.000 -0.413 0.000 0.989 73 Q CA 2.327 57.899 55.803 -0.385 0.000 0.872 73 Q CB -1.045 27.516 28.738 -0.295 0.000 0.909 73 Q HN 0.917 nan 8.270 nan 0.000 0.420 74 A N -0.571 122.136 122.820 -0.188 0.000 1.929 74 A HA -0.045 4.274 4.320 -0.000 0.000 0.216 74 A C 2.024 179.559 177.584 -0.081 0.000 1.176 74 A CA 1.024 53.034 52.037 -0.045 0.000 0.628 74 A CB -0.515 18.502 19.000 0.029 0.000 0.816 74 A HN 0.427 nan 8.150 nan 0.000 0.444 75 L N -0.713 120.386 121.223 -0.206 0.000 2.141 75 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 75 L C 2.477 179.162 176.870 -0.308 0.000 1.094 75 L CA 1.325 55.979 54.840 -0.311 0.000 0.763 75 L CB -0.388 41.373 42.059 -0.497 0.000 0.908 75 L HN 0.376 nan 8.230 nan 0.000 0.437 76 K N -0.506 119.696 120.400 -0.330 0.000 2.057 76 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 76 K C 2.040 178.527 176.600 -0.188 0.000 1.050 76 K CA 1.248 57.346 56.287 -0.316 0.000 0.935 76 K CB -0.100 32.163 32.500 -0.396 0.000 0.715 76 K HN 0.083 nan 8.250 nan 0.000 0.439 77 F N 0.676 120.576 119.950 -0.084 0.000 2.163 77 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 77 F C 2.250 178.054 175.800 0.007 0.000 1.094 77 F CA 0.436 58.419 58.000 -0.028 0.000 1.290 77 F CB -0.928 38.066 39.000 -0.010 0.000 1.017 77 F HN -0.260 nan 8.300 nan 0.000 0.483 78 V N 0.487 120.446 119.914 0.074 0.000 2.380 78 V HA -0.322 3.798 4.120 -0.000 0.000 0.251 78 V C 2.516 178.260 176.094 -0.583 0.000 1.063 78 V CA 2.136 64.224 62.300 -0.353 0.000 1.055 78 V CB -0.831 30.877 31.823 -0.191 0.000 0.657 78 V HN 0.269 nan 8.190 nan 0.000 0.455 79 R N 0.220 120.540 120.500 -0.301 0.000 2.193 79 R HA -0.172 4.168 4.340 -0.000 0.000 0.229 79 R C 1.815 177.998 176.300 -0.195 0.000 1.110 79 R CA 1.522 57.447 56.100 -0.293 0.000 0.988 79 R CB -0.393 29.758 30.300 -0.248 0.000 0.871 79 R HN 0.481 nan 8.270 nan 0.000 0.458 80 D N 0.117 120.508 120.400 -0.015 0.000 2.228 80 D HA -0.187 4.453 4.640 -0.000 0.000 0.203 80 D C 1.284 177.766 176.300 0.303 0.000 0.988 80 D CA 1.472 55.597 54.000 0.209 0.000 0.864 80 D CB -0.036 41.031 40.800 0.445 0.000 0.928 80 D HN 0.513 nan 8.370 nan 0.000 0.469 81 F N -1.720 118.306 119.950 0.126 0.000 2.712 81 F HA 0.539 5.066 4.527 -0.000 0.000 0.297 81 F C 1.808 177.688 175.800 0.133 0.000 1.114 81 F CA -0.265 57.787 58.000 0.088 0.000 1.305 81 F CB -0.321 38.649 39.000 -0.051 0.000 1.086 81 F HN -0.114 nan 8.300 nan 0.000 0.599 82 A N 0.809 123.463 122.820 -0.278 0.000 2.308 82 A HA 0.576 4.896 4.320 -0.000 0.000 0.217 82 A C 1.901 179.233 177.584 -0.420 0.000 1.216 82 A CA 0.477 52.409 52.037 -0.174 0.000 0.864 82 A CB -1.293 17.579 19.000 -0.214 0.000 0.902 82 A HN 0.679 nan 8.150 nan 0.000 0.499 83 G N 1.474 109.840 108.800 -0.722 0.000 2.632 83 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.322 83 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.322 83 G C 0.335 174.875 174.900 -0.601 0.000 1.326 83 G CA 0.772 45.217 45.100 -1.092 0.000 0.986 83 G HN 0.906 nan 8.290 nan 0.000 0.541 84 D N 1.641 121.740 120.400 -0.501 0.000 2.413 84 D HA 0.419 5.058 4.640 -0.000 0.000 0.237 84 D C 1.255 177.539 176.300 -0.028 0.000 1.171 84 D CA 0.859 54.766 54.000 -0.156 0.000 0.839 84 D CB -0.709 40.074 40.800 -0.029 0.000 0.950 84 D HN 0.786 nan 8.370 nan 0.000 0.499 85 G N -0.033 108.740 108.800 -0.044 0.000 2.647 85 G HA2 0.137 4.097 3.960 -0.000 0.000 0.271 85 G HA3 0.137 4.097 3.960 -0.000 0.000 0.271 85 G C 1.043 175.998 174.900 0.092 0.000 1.300 85 G CA -0.622 44.501 45.100 0.038 0.000 0.997 85 G HN 0.257 nan 8.290 nan 0.000 0.533 86 L N -1.062 120.243 121.223 0.135 0.000 2.083 86 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 86 L C 2.535 179.594 176.870 0.315 0.000 1.083 86 L CA 0.908 55.924 54.840 0.294 0.000 0.752 86 L CB -0.373 41.866 42.059 0.300 0.000 0.899 86 L HN 0.507 nan 8.230 nan 0.000 0.433 87 F N 1.137 121.111 119.950 0.039 0.000 2.234 87 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 87 F C 2.193 177.924 175.800 -0.114 0.000 1.087 87 F CA 1.646 59.630 58.000 -0.027 0.000 1.340 87 F CB -0.157 38.820 39.000 -0.039 0.000 1.031 87 F HN 0.080 nan 8.300 nan 0.000 0.500 88 T N -2.380 112.078 114.554 -0.161 0.000 3.228 88 T HA 0.330 4.680 4.350 -0.000 0.000 0.278 88 T C 0.245 174.733 174.700 -0.353 0.000 1.014 88 T CA 0.155 62.039 62.100 -0.360 0.000 0.904 88 T CB -0.724 67.961 68.868 -0.306 0.000 1.110 88 T HN 0.187 nan 8.240 nan 0.000 0.541 89 S N -0.242 115.313 115.700 -0.241 0.000 2.607 89 S HA 0.727 5.197 4.470 -0.000 0.000 0.303 89 S C -0.769 173.663 174.600 -0.281 0.000 1.086 89 S CA -1.170 56.912 58.200 -0.197 0.000 0.995 89 S CB 0.897 64.133 63.200 0.059 0.000 1.084 89 S HN 0.466 nan 8.310 nan 0.000 0.507 90 W N 1.236 122.452 121.300 -0.140 0.000 2.170 90 W HA 0.287 4.947 4.660 -0.000 0.000 0.336 90 W C 1.717 178.107 176.519 -0.216 0.000 1.283 90 W CA -0.178 57.064 57.345 -0.172 0.000 1.224 90 W CB 0.191 29.502 29.460 -0.249 0.000 1.132 90 W HN 0.811 nan 8.180 nan 0.000 0.571 91 T N 0.523 115.026 114.554 -0.085 0.000 2.721 91 T HA -0.324 4.026 4.350 -0.000 0.000 0.268 91 T C 1.384 176.155 174.700 0.117 0.000 1.038 91 T CA 2.076 63.946 62.100 -0.384 0.000 1.145 91 T CB -0.396 68.276 68.868 -0.327 0.000 0.858 91 T HN 0.557 nan 8.240 nan 0.000 0.459 92 H N 0.251 119.397 119.070 0.126 0.000 2.551 92 H HA 0.379 4.935 4.556 -0.000 0.000 0.271 92 H C 0.324 175.754 175.328 0.170 0.000 0.984 92 H CA -0.208 55.926 56.048 0.143 0.000 1.164 92 H CB -0.222 29.583 29.762 0.072 0.000 1.437 92 H HN 0.360 nan 8.280 nan 0.000 0.550 93 E N 1.418 121.639 120.200 0.034 0.000 2.376 93 E HA 0.125 4.475 4.350 -0.000 0.000 0.266 93 E C 1.332 178.039 176.600 0.178 0.000 1.009 93 E CA 0.448 56.894 56.400 0.077 0.000 0.902 93 E CB 1.166 30.947 29.700 0.136 0.000 0.972 93 E HN 0.540 nan 8.360 nan 0.000 0.439 94 K N 3.556 124.032 120.400 0.126 0.000 2.052 94 K HA -0.300 4.019 4.320 -0.000 0.000 0.215 94 K C 1.415 178.100 176.600 0.142 0.000 1.053 94 K CA 2.498 58.862 56.287 0.129 0.000 0.934 94 K CB -1.144 31.409 32.500 0.089 0.000 0.717 94 K HN 0.665 nan 8.250 nan 0.000 0.450 95 N N -1.754 117.026 118.700 0.134 0.000 2.550 95 N HA -0.055 4.685 4.740 -0.000 0.000 0.186 95 N C 1.560 177.146 175.510 0.126 0.000 1.110 95 N CA 0.705 53.823 53.050 0.112 0.000 0.912 95 N CB -0.114 38.436 38.487 0.104 0.000 0.968 95 N HN 0.725 nan 8.380 nan 0.000 0.448 96 W N 2.016 123.362 121.300 0.078 0.000 2.443 96 W HA -0.017 4.643 4.660 -0.000 0.000 0.296 96 W C 2.188 178.787 176.519 0.133 0.000 1.202 96 W CA 1.043 58.442 57.345 0.089 0.000 1.312 96 W CB 0.014 29.514 29.460 0.066 0.000 1.120 96 W HN -0.215 nan 8.180 nan 0.000 0.536 97 K N 1.232 121.587 120.400 -0.076 0.000 2.076 97 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 97 K C 2.085 178.571 176.600 -0.191 0.000 1.051 97 K CA 2.006 58.127 56.287 -0.276 0.000 0.949 97 K CB -0.654 31.915 32.500 0.114 0.000 0.726 97 K HN 0.150 nan 8.250 nan 0.000 0.443 98 K N -0.129 120.230 120.400 -0.067 0.000 2.009 98 K HA -0.125 4.195 4.320 -0.000 0.000 0.210 98 K C 1.903 178.467 176.600 -0.060 0.000 1.049 98 K CA 1.693 57.960 56.287 -0.033 0.000 0.929 98 K CB -0.388 32.119 32.500 0.013 0.000 0.714 98 K HN 0.118 nan 8.250 nan 0.000 0.440 99 A N 0.393 123.167 122.820 -0.075 0.000 1.930 99 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 99 A C 2.024 179.560 177.584 -0.079 0.000 1.175 99 A CA 1.844 53.855 52.037 -0.043 0.000 0.627 99 A CB -0.971 18.028 19.000 -0.002 0.000 0.815 99 A HN 0.712 nan 8.150 nan 0.000 0.443 100 H N 0.240 119.077 119.070 -0.389 0.000 2.387 100 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 100 H C 1.811 177.025 175.328 -0.190 0.000 1.090 100 H CA 2.232 58.037 56.048 -0.405 0.000 1.332 100 H CB -0.333 28.834 29.762 -0.991 0.000 1.386 100 H HN 0.604 nan 8.280 nan 0.000 0.516 101 N N -0.487 118.046 118.700 -0.279 0.000 2.171 101 N HA -0.028 4.712 4.740 -0.000 0.000 0.184 101 N C 1.688 177.113 175.510 -0.142 0.000 1.021 101 N CA 1.293 54.209 53.050 -0.223 0.000 0.854 101 N CB 0.082 38.517 38.487 -0.087 0.000 0.994 101 N HN 0.325 nan 8.380 nan 0.000 0.426 102 I N 0.518 121.041 120.570 -0.077 0.000 2.493 102 I HA -0.181 3.989 4.170 -0.000 0.000 0.254 102 I C 1.580 177.704 176.117 0.011 0.000 1.160 102 I CA 0.894 62.180 61.300 -0.023 0.000 1.445 102 I CB -0.037 37.973 38.000 0.016 0.000 1.086 102 I HN 0.183 nan 8.210 nan 0.000 0.433 103 L N -0.881 120.360 121.223 0.030 0.000 2.253 103 L HA -0.046 4.293 4.340 -0.000 0.000 0.205 103 L C 2.346 179.323 176.870 0.179 0.000 1.078 103 L CA 0.182 55.120 54.840 0.163 0.000 0.805 103 L CB -0.258 42.000 42.059 0.331 0.000 0.963 103 L HN 0.180 nan 8.230 nan 0.000 0.459 104 L N 1.195 122.441 121.223 0.038 0.000 2.051 104 L HA -0.162 4.178 4.340 -0.000 0.000 0.214 104 L C -0.346 176.553 176.870 0.048 0.000 1.076 104 L CA 2.303 57.163 54.840 0.033 0.000 0.758 104 L CB -1.553 40.391 42.059 -0.192 0.000 0.890 104 L HN 0.088 nan 8.230 nan 0.000 0.433 105 P HA -0.162 nan 4.420 nan 0.000 0.216 105 P C 1.769 179.016 177.300 -0.089 0.000 1.154 105 P CA 1.915 64.970 63.100 -0.075 0.000 0.865 105 P CB -0.121 31.497 31.700 -0.138 0.000 0.789 106 S N -1.888 113.765 115.700 -0.077 0.000 2.423 106 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 106 S C 1.275 175.796 174.600 -0.131 0.000 1.014 106 S CA 1.032 59.184 58.200 -0.080 0.000 0.965 106 S CB -0.856 62.349 63.200 0.008 0.000 0.785 106 S HN 0.179 nan 8.310 nan 0.000 0.495 107 F N 2.152 122.174 119.950 0.120 0.000 2.653 107 F HA 0.231 4.758 4.527 -0.000 0.000 0.304 107 F C 1.232 177.102 175.800 0.117 0.000 1.092 107 F CA -0.619 57.475 58.000 0.157 0.000 1.279 107 F CB -0.015 39.038 39.000 0.088 0.000 1.044 107 F HN 0.022 nan 8.300 nan 0.000 0.564 108 S N -0.092 115.717 115.700 0.180 0.000 2.550 108 S HA -0.176 4.294 4.470 -0.000 0.000 0.285 108 S C 1.259 175.928 174.600 0.116 0.000 1.326 108 S CA -0.417 57.846 58.200 0.105 0.000 1.037 108 S CB 0.676 63.887 63.200 0.018 0.000 0.838 108 S HN 0.345 nan 8.310 nan 0.000 0.519 109 Q N 1.495 121.350 119.800 0.092 0.000 2.368 109 Q HA -0.078 4.261 4.340 -0.000 0.000 0.210 109 Q C 2.581 178.605 176.000 0.040 0.000 0.982 109 Q CA 2.246 58.102 55.803 0.088 0.000 0.884 109 Q CB -1.082 27.706 28.738 0.083 0.000 0.933 109 Q HN 0.954 nan 8.270 nan 0.000 0.460 110 Q N -0.450 119.343 119.800 -0.012 0.000 2.079 110 Q HA 0.101 4.441 4.340 -0.000 0.000 0.200 110 Q C 2.037 177.941 176.000 -0.159 0.000 0.974 110 Q CA 1.676 57.424 55.803 -0.091 0.000 0.840 110 Q CB -0.932 27.755 28.738 -0.085 0.000 0.898 110 Q HN 0.601 nan 8.270 nan 0.000 0.430 111 A N -0.737 121.993 122.820 -0.149 0.000 2.251 111 A HA 0.310 4.630 4.320 -0.000 0.000 0.209 111 A C 1.828 179.192 177.584 -0.366 0.000 1.187 111 A CA 0.726 52.578 52.037 -0.307 0.000 0.823 111 A CB -0.079 18.711 19.000 -0.351 0.000 0.846 111 A HN 0.471 nan 8.150 nan 0.000 0.486 112 M N -0.180 119.355 119.600 -0.108 0.000 2.549 112 M HA -0.008 4.472 4.480 -0.000 0.000 0.260 112 M C 1.581 177.881 176.300 -0.001 0.000 1.076 112 M CA 1.087 56.389 55.300 0.004 0.000 1.090 112 M CB -0.908 31.674 32.600 -0.031 0.000 1.418 112 M HN 0.397 nan 8.290 nan 0.000 0.486 113 K N -1.010 119.285 120.400 -0.174 0.000 2.098 113 K HA 0.063 4.383 4.320 -0.000 0.000 0.203 113 K C 2.047 178.596 176.600 -0.085 0.000 1.051 113 K CA 0.995 57.152 56.287 -0.217 0.000 0.957 113 K CB -0.349 31.874 32.500 -0.463 0.000 0.738 113 K HN 0.399 nan 8.250 nan 0.000 0.447 114 G N 0.473 109.157 108.800 -0.194 0.000 2.440 114 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 114 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 114 G C 1.051 175.959 174.900 0.013 0.000 1.154 114 G CA 0.933 45.936 45.100 -0.162 0.000 0.767 114 G HN 0.205 nan 8.290 nan 0.000 0.552 115 Y N -0.216 120.118 120.300 0.057 0.000 2.475 115 Y HA 0.081 4.631 4.550 -0.000 0.000 0.289 115 Y C 2.382 178.324 175.900 0.070 0.000 1.121 115 Y CA -0.076 58.052 58.100 0.046 0.000 1.257 115 Y CB -0.928 37.527 38.460 -0.008 0.000 1.026 115 Y HN 0.385 nan 8.280 nan 0.000 0.555 116 H N 0.299 119.504 119.070 0.224 0.000 2.319 116 H HA -0.216 4.340 4.556 -0.000 0.000 0.297 116 H C 2.121 177.547 175.328 0.163 0.000 1.097 116 H CA 1.658 57.862 56.048 0.260 0.000 1.285 116 H CB -0.001 29.955 29.762 0.325 0.000 1.368 116 H HN 0.309 nan 8.280 nan 0.000 0.495 117 A N 0.645 123.539 122.820 0.122 0.000 1.865 117 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 117 A C 2.940 180.524 177.584 -0.001 0.000 1.191 117 A CA 2.552 54.625 52.037 0.060 0.000 0.623 117 A CB -0.957 18.104 19.000 0.102 0.000 0.826 117 A HN 0.420 nan 8.150 nan 0.000 0.444 118 M N -0.782 118.843 119.600 0.042 0.000 2.358 118 M HA -0.047 4.433 4.480 -0.000 0.000 0.264 118 M C 2.350 178.648 176.300 -0.003 0.000 1.064 118 M CA 1.568 56.888 55.300 0.033 0.000 1.093 118 M CB -1.417 31.227 32.600 0.073 0.000 1.401 118 M HN 0.601 nan 8.290 nan 0.000 0.440 119 M N -1.230 118.336 119.600 -0.057 0.000 2.287 119 M HA -0.051 4.429 4.480 -0.000 0.000 0.266 119 M C 2.231 178.449 176.300 -0.136 0.000 1.079 119 M CA 1.033 56.274 55.300 -0.098 0.000 1.146 119 M CB -0.370 32.140 32.600 -0.150 0.000 1.374 119 M HN 0.240 nan 8.290 nan 0.000 0.435 120 V N 0.924 120.712 119.914 -0.210 0.000 2.407 120 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 120 V C 2.154 178.189 176.094 -0.099 0.000 1.055 120 V CA 2.003 64.197 62.300 -0.177 0.000 1.049 120 V CB -0.669 31.042 31.823 -0.187 0.000 0.662 120 V HN 0.516 nan 8.190 nan 0.000 0.455 121 D N 0.408 120.771 120.400 -0.063 0.000 2.127 121 D HA -0.209 4.430 4.640 -0.000 0.000 0.190 121 D C 2.043 178.325 176.300 -0.029 0.000 1.000 121 D CA 1.934 55.917 54.000 -0.029 0.000 0.839 121 D CB -0.038 40.763 40.800 0.003 0.000 0.955 121 D HN 0.321 nan 8.370 nan 0.000 0.446 122 I N 1.373 121.946 120.570 0.004 0.000 2.252 122 I HA -0.157 4.013 4.170 -0.000 0.000 0.245 122 I C 2.787 178.862 176.117 -0.070 0.000 1.102 122 I CA 0.915 62.247 61.300 0.052 0.000 1.385 122 I CB -1.789 36.309 38.000 0.162 0.000 1.064 122 I HN -0.011 nan 8.210 nan 0.000 0.414 123 A N 1.050 123.816 122.820 -0.090 0.000 1.917 123 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 123 A C 2.584 180.030 177.584 -0.231 0.000 1.182 123 A CA 2.148 54.094 52.037 -0.153 0.000 0.633 123 A CB -1.060 17.867 19.000 -0.122 0.000 0.819 123 A HN 0.261 nan 8.150 nan 0.000 0.448 124 V N -0.026 119.769 119.914 -0.199 0.000 2.343 124 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 124 V C 2.643 178.555 176.094 -0.302 0.000 1.051 124 V CA 2.187 64.357 62.300 -0.217 0.000 1.036 124 V CB -0.911 30.824 31.823 -0.146 0.000 0.654 124 V HN 0.640 nan 8.190 nan 0.000 0.451 125 Q N -0.684 118.900 119.800 -0.359 0.000 2.096 125 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 125 Q C 2.313 177.759 176.000 -0.924 0.000 0.982 125 Q CA 1.970 57.430 55.803 -0.573 0.000 0.850 125 Q CB -0.389 28.012 28.738 -0.562 0.000 0.901 125 Q HN 0.565 nan 8.270 nan 0.000 0.422 126 L N 0.281 120.885 121.223 -1.032 0.000 1.994 126 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 126 L C 2.184 178.574 176.870 -0.800 0.000 1.071 126 L CA 1.521 55.745 54.840 -1.026 0.000 0.745 126 L CB -0.523 41.101 42.059 -0.725 0.000 0.892 126 L HN -0.036 nan 8.230 nan 0.000 0.431 127 V N -0.247 119.362 119.914 -0.508 0.000 2.343 127 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 127 V C 2.586 178.650 176.094 -0.051 0.000 1.051 127 V CA 2.060 64.241 62.300 -0.197 0.000 1.036 127 V CB -0.766 30.932 31.823 -0.209 0.000 0.654 127 V HN 0.575 nan 8.190 nan 0.000 0.451 128 Q N -0.001 119.687 119.800 -0.187 0.000 2.061 128 Q HA -0.291 4.049 4.340 -0.000 0.000 0.204 128 Q C 2.379 178.334 176.000 -0.075 0.000 0.984 128 Q CA 2.030 57.758 55.803 -0.125 0.000 0.846 128 Q CB -0.327 28.311 28.738 -0.166 0.000 0.902 128 Q HN 0.605 nan 8.270 nan 0.000 0.421 129 K N 0.101 120.400 120.400 -0.169 0.000 2.044 129 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 129 K C 1.717 178.434 176.600 0.195 0.000 1.049 129 K CA 1.722 57.988 56.287 -0.035 0.000 0.927 129 K CB -0.092 32.356 32.500 -0.087 0.000 0.713 129 K HN 0.211 nan 8.250 nan 0.000 0.443 130 W N 1.875 123.111 121.300 -0.106 0.000 2.355 130 W HA -0.101 4.558 4.660 -0.000 0.000 0.309 130 W C 2.116 178.659 176.519 0.040 0.000 1.206 130 W CA 0.549 57.802 57.345 -0.154 0.000 1.284 130 W CB -0.980 28.182 29.460 -0.496 0.000 1.145 130 W HN 0.182 nan 8.180 nan 0.000 0.502 131 E N 0.291 120.760 120.200 0.448 0.000 2.136 131 E HA -0.237 4.113 4.350 -0.000 0.000 0.202 131 E C 1.786 178.462 176.600 0.127 0.000 1.019 131 E CA 1.613 58.176 56.400 0.271 0.000 0.819 131 E CB -0.695 29.079 29.700 0.123 0.000 0.739 131 E HN 0.411 nan 8.360 nan 0.000 0.458 132 R N 0.312 120.862 120.500 0.083 0.000 2.320 132 R HA 0.186 4.526 4.340 -0.000 0.000 0.211 132 R C 0.532 176.838 176.300 0.010 0.000 0.931 132 R CA -0.204 55.914 56.100 0.030 0.000 1.071 132 R CB -0.042 30.262 30.300 0.007 0.000 1.025 132 R HN 0.069 nan 8.270 nan 0.000 0.495 133 L N 1.471 122.698 121.223 0.007 0.000 2.439 133 L HA 0.087 4.427 4.340 -0.000 0.000 0.269 133 L C 0.587 177.433 176.870 -0.039 0.000 1.179 133 L CA -0.239 54.575 54.840 -0.042 0.000 0.828 133 L CB 0.253 42.250 42.059 -0.102 0.000 1.106 133 L HN 0.104 nan 8.230 nan 0.000 0.467 134 N N 0.868 119.537 118.700 -0.052 0.000 2.405 134 N HA 0.254 4.994 4.740 -0.000 0.000 0.269 134 N C 0.664 176.139 175.510 -0.057 0.000 1.249 134 N CA -0.027 52.997 53.050 -0.043 0.000 0.974 134 N CB 1.133 39.598 38.487 -0.037 0.000 1.204 134 N HN 0.700 nan 8.380 nan 0.000 0.565 135 A N 0.272 123.065 122.820 -0.045 0.000 1.970 135 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 135 A C 1.320 178.871 177.584 -0.055 0.000 1.170 135 A CA 1.529 53.536 52.037 -0.050 0.000 0.645 135 A CB -0.566 18.413 19.000 -0.034 0.000 0.816 135 A HN 0.796 nan 8.150 nan 0.000 0.447 136 D N 0.105 120.480 120.400 -0.043 0.000 2.403 136 D HA -0.053 4.587 4.640 -0.000 0.000 0.227 136 D C 0.395 176.670 176.300 -0.041 0.000 0.995 136 D CA 0.729 54.709 54.000 -0.034 0.000 0.928 136 D CB -0.244 40.543 40.800 -0.022 0.000 0.887 136 D HN 0.596 nan 8.370 nan 0.000 0.529 137 E N -0.377 119.773 120.200 -0.083 0.000 2.235 137 E HA 0.383 4.733 4.350 -0.000 0.000 0.265 137 E C -0.017 176.480 176.600 -0.172 0.000 0.940 137 E CA -0.968 55.347 56.400 -0.142 0.000 0.819 137 E CB 1.363 30.956 29.700 -0.179 0.000 1.206 137 E HN 0.392 nan 8.360 nan 0.000 0.409 138 H N -0.459 118.467 119.070 -0.239 0.000 2.941 138 H HA 0.545 5.101 4.556 -0.000 0.000 0.344 138 H C -1.024 174.112 175.328 -0.320 0.000 1.235 138 H CA -1.066 54.780 56.048 -0.338 0.000 1.149 138 H CB 0.793 30.345 29.762 -0.349 0.000 1.885 138 H HN 0.334 nan 8.280 nan 0.000 0.558 139 I N 1.495 121.893 120.570 -0.286 0.000 2.354 139 I HA 0.113 4.283 4.170 -0.000 0.000 0.292 139 I C -0.057 175.942 176.117 -0.197 0.000 0.989 139 I CA -0.452 60.600 61.300 -0.414 0.000 1.188 139 I CB 1.635 39.142 38.000 -0.823 0.000 1.342 139 I HN 0.428 nan 8.210 nan 0.000 0.457 140 E N 5.454 125.569 120.200 -0.141 0.000 2.070 140 E HA 0.094 4.444 4.350 -0.000 0.000 0.282 140 E C 0.629 177.156 176.600 -0.123 0.000 1.104 140 E CA -0.247 56.093 56.400 -0.100 0.000 0.876 140 E CB 1.351 31.024 29.700 -0.045 0.000 1.055 140 E HN 0.471 nan 8.360 nan 0.000 0.401 141 V N 5.540 125.302 119.914 -0.255 0.000 2.239 141 V HA -0.154 3.966 4.120 -0.000 0.000 0.242 141 V C -0.996 175.074 176.094 -0.040 0.000 1.038 141 V CA 1.450 63.630 62.300 -0.201 0.000 1.002 141 V CB -1.145 30.354 31.823 -0.539 0.000 0.641 141 V HN 0.570 nan 8.190 nan 0.000 0.449 142 P HA -0.110 nan 4.420 nan 0.000 0.218 142 P C 1.356 178.648 177.300 -0.013 0.000 1.149 142 P CA 1.194 64.273 63.100 -0.034 0.000 0.817 142 P CB 0.019 31.674 31.700 -0.076 0.000 0.785 143 E N -0.224 119.969 120.200 -0.012 0.000 2.051 143 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 143 E C 1.816 178.432 176.600 0.026 0.000 0.991 143 E CA 1.318 57.718 56.400 0.000 0.000 0.799 143 E CB -0.917 28.779 29.700 -0.006 0.000 0.748 143 E HN 0.237 nan 8.360 nan 0.000 0.449 144 D N -0.446 120.012 120.400 0.097 0.000 2.117 144 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 144 D C 1.765 178.163 176.300 0.164 0.000 0.982 144 D CA 0.877 55.000 54.000 0.206 0.000 0.828 144 D CB -0.052 41.012 40.800 0.440 0.000 0.967 144 D HN 0.119 nan 8.370 nan 0.000 0.464 145 M N 0.318 119.995 119.600 0.127 0.000 2.159 145 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 145 M C 2.135 178.466 176.300 0.051 0.000 1.063 145 M CA 1.054 56.408 55.300 0.090 0.000 1.110 145 M CB -1.346 31.298 32.600 0.073 0.000 1.374 145 M HN -0.075 nan 8.290 nan 0.000 0.411 146 T N 0.384 114.950 114.554 0.020 0.000 2.821 146 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 146 T C 2.008 176.694 174.700 -0.023 0.000 1.046 146 T CA 1.063 63.175 62.100 0.019 0.000 1.139 146 T CB -0.083 68.803 68.868 0.029 0.000 0.871 146 T HN 0.379 nan 8.240 nan 0.000 0.454 147 R N 0.565 120.974 120.500 -0.152 0.000 2.083 147 R HA -0.014 4.326 4.340 -0.000 0.000 0.237 147 R C 2.518 178.600 176.300 -0.363 0.000 1.137 147 R CA 1.266 57.114 56.100 -0.421 0.000 0.951 147 R CB -0.702 29.047 30.300 -0.917 0.000 0.851 147 R HN 0.330 nan 8.270 nan 0.000 0.434 148 L N 1.073 122.227 121.223 -0.115 0.000 2.046 148 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 148 L C 2.479 179.430 176.870 0.134 0.000 1.077 148 L CA 2.165 57.116 54.840 0.185 0.000 0.747 148 L CB -0.476 41.764 42.059 0.302 0.000 0.896 148 L HN 0.322 nan 8.230 nan 0.000 0.432 149 T N -2.280 112.339 114.554 0.108 0.000 2.851 149 T HA -0.167 4.183 4.350 -0.000 0.000 0.262 149 T C 1.860 176.660 174.700 0.167 0.000 1.043 149 T CA 0.970 63.161 62.100 0.151 0.000 1.140 149 T CB -0.698 68.248 68.868 0.130 0.000 0.872 149 T HN 0.304 nan 8.240 nan 0.000 0.446 150 L N 2.134 123.428 121.223 0.118 0.000 1.990 150 L HA -0.099 4.241 4.340 -0.000 0.000 0.213 150 L C 1.930 178.879 176.870 0.131 0.000 1.072 150 L CA 2.250 57.111 54.840 0.036 0.000 0.755 150 L CB -1.007 40.965 42.059 -0.145 0.000 0.889 150 L HN 0.111 nan 8.230 nan 0.000 0.432 151 D N -1.196 119.291 120.400 0.146 0.000 2.117 151 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 151 D C 2.122 178.566 176.300 0.240 0.000 0.987 151 D CA 1.759 55.911 54.000 0.253 0.000 0.829 151 D CB -0.344 40.576 40.800 0.200 0.000 0.961 151 D HN 0.416 nan 8.370 nan 0.000 0.460 152 T N 0.830 115.510 114.554 0.209 0.000 2.652 152 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 152 T C 2.171 177.030 174.700 0.265 0.000 1.039 152 T CA 0.890 63.113 62.100 0.206 0.000 1.153 152 T CB -0.366 68.617 68.868 0.191 0.000 0.863 152 T HN 0.181 nan 8.240 nan 0.000 0.428 153 I N 1.336 122.078 120.570 0.287 0.000 2.208 153 I HA -0.131 4.038 4.170 -0.000 0.000 0.245 153 I C 2.951 179.181 176.117 0.188 0.000 1.097 153 I CA 1.416 62.847 61.300 0.218 0.000 1.363 153 I CB -0.908 37.173 38.000 0.135 0.000 1.051 153 I HN 0.331 nan 8.210 nan 0.000 0.413 154 G N 0.998 109.973 108.800 0.292 0.000 2.418 154 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 154 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 154 G C 1.624 176.578 174.900 0.091 0.000 1.158 154 G CA 0.577 45.819 45.100 0.237 0.000 0.771 154 G HN 0.221 nan 8.290 nan 0.000 0.545 155 L N 0.645 121.929 121.223 0.101 0.000 2.007 155 L HA 0.046 4.386 4.340 -0.000 0.000 0.205 155 L C 2.949 179.846 176.870 0.045 0.000 1.073 155 L CA 1.537 56.408 54.840 0.051 0.000 0.744 155 L CB -0.976 41.120 42.059 0.061 0.000 0.898 155 L HN 0.273 nan 8.230 nan 0.000 0.435 156 C N 0.154 119.488 119.300 0.058 0.000 2.367 156 C HA -0.181 4.279 4.460 -0.000 0.000 0.276 156 C C 2.684 177.623 174.990 -0.086 0.000 1.195 156 C CA 1.055 60.062 59.018 -0.018 0.000 1.756 156 C CB -2.050 25.629 27.740 -0.103 0.000 2.046 156 C HN 0.759 nan 8.230 nan 0.000 0.453 157 G N -1.747 107.002 108.800 -0.086 0.000 2.551 157 G HA2 0.058 4.018 3.960 -0.000 0.000 0.216 157 G HA3 0.058 4.018 3.960 -0.000 0.000 0.216 157 G C 0.968 175.845 174.900 -0.037 0.000 1.137 157 G CA 1.317 46.350 45.100 -0.111 0.000 0.798 157 G HN 0.565 nan 8.290 nan 0.000 0.536 158 F N -1.573 118.369 119.950 -0.013 0.000 2.936 158 F HA 0.348 4.875 4.527 -0.000 0.000 0.334 158 F C 0.816 176.610 175.800 -0.010 0.000 1.170 158 F CA -1.209 56.778 58.000 -0.021 0.000 1.104 158 F CB -1.338 37.637 39.000 -0.042 0.000 1.216 158 F HN 0.227 nan 8.300 nan 0.000 0.518 159 N N 0.822 119.520 118.700 -0.003 0.000 2.716 159 N HA -0.299 4.441 4.740 -0.000 0.000 0.250 159 N C -0.829 174.672 175.510 -0.015 0.000 1.033 159 N CA 0.688 53.733 53.050 -0.008 0.000 0.727 159 N CB -1.854 36.626 38.487 -0.010 0.000 0.950 159 N HN 0.796 nan 8.380 nan 0.000 0.541 160 Y N 0.198 120.375 120.300 -0.204 0.000 2.393 160 Y HA 0.538 5.088 4.550 -0.000 0.000 0.341 160 Y C 0.011 175.689 175.900 -0.370 0.000 0.988 160 Y CA -1.029 56.867 58.100 -0.339 0.000 1.078 160 Y CB 1.053 39.197 38.460 -0.527 0.000 1.203 160 Y HN 0.034 nan 8.280 nan 0.000 0.453 161 R N 6.120 126.117 120.500 -0.838 0.000 2.198 161 R HA 0.175 4.515 4.340 -0.000 0.000 0.339 161 R C -0.256 175.670 176.300 -0.622 0.000 1.020 161 R CA -0.286 55.499 56.100 -0.524 0.000 0.864 161 R CB 0.418 30.523 30.300 -0.326 0.000 1.105 161 R HN 0.759 nan 8.270 nan 0.000 0.463 162 F N 1.357 121.221 119.950 -0.142 0.000 2.456 162 F HA -0.030 4.497 4.527 -0.000 0.000 0.298 162 F C 0.871 176.700 175.800 0.049 0.000 1.104 162 F CA 0.262 58.227 58.000 -0.059 0.000 1.435 162 F CB 0.019 38.998 39.000 -0.036 0.000 1.078 162 F HN 0.526 nan 8.300 nan 0.000 0.546 163 N N 0.162 118.977 118.700 0.193 0.000 2.740 163 N HA -0.204 4.536 4.740 -0.000 0.000 0.248 163 N C 1.118 176.803 175.510 0.290 0.000 1.062 163 N CA 0.826 54.027 53.050 0.251 0.000 0.704 163 N CB -1.367 37.180 38.487 0.100 0.000 0.968 163 N HN 0.135 nan 8.380 nan 0.000 0.547 164 S N -0.908 114.881 115.700 0.149 0.000 2.400 164 S HA -0.079 4.391 4.470 -0.000 0.000 0.232 164 S C 1.385 175.908 174.600 -0.128 0.000 1.025 164 S CA 0.889 59.057 58.200 -0.053 0.000 0.993 164 S CB -0.125 62.908 63.200 -0.280 0.000 0.808 164 S HN 0.453 nan 8.310 nan 0.000 0.478 165 F N -0.486 119.526 119.950 0.104 0.000 2.661 165 F HA 0.144 4.671 4.527 -0.000 0.000 0.298 165 F C 1.326 177.048 175.800 -0.130 0.000 1.137 165 F CA 0.209 58.180 58.000 -0.049 0.000 1.454 165 F CB -0.402 38.504 39.000 -0.157 0.000 1.103 165 F HN 0.229 nan 8.300 nan 0.000 0.577 166 Y N -0.497 119.903 120.300 0.166 0.000 2.482 166 Y HA 0.203 4.753 4.550 -0.000 0.000 0.270 166 Y C 0.795 176.737 175.900 0.071 0.000 1.152 166 Y CA -0.152 58.012 58.100 0.107 0.000 1.292 166 Y CB -0.000 38.510 38.460 0.083 0.000 1.070 166 Y HN -0.235 nan 8.280 nan 0.000 0.528 167 R N -0.263 120.348 120.500 0.184 0.000 2.732 167 R HA 0.290 4.630 4.340 -0.000 0.000 0.278 167 R C -0.493 175.845 176.300 0.062 0.000 0.976 167 R CA -0.440 55.729 56.100 0.114 0.000 0.963 167 R CB 1.250 31.615 30.300 0.108 0.000 1.150 167 R HN 0.037 nan 8.270 nan 0.000 0.478 168 D N -0.040 120.387 120.400 0.045 0.000 2.735 168 D HA -0.053 4.587 4.640 -0.000 0.000 0.267 168 D C -0.234 176.076 176.300 0.016 0.000 1.081 168 D CA 0.456 54.469 54.000 0.023 0.000 0.980 168 D CB 0.046 40.856 40.800 0.016 0.000 1.129 168 D HN 0.205 nan 8.370 nan 0.000 0.459 169 Q N 2.006 121.817 119.800 0.018 0.000 2.244 169 Q HA 0.201 4.541 4.340 -0.000 0.000 0.278 169 Q C -2.229 173.786 176.000 0.026 0.000 1.093 169 Q CA -1.270 54.541 55.803 0.013 0.000 0.916 169 Q CB -0.307 28.435 28.738 0.007 0.000 1.159 169 Q HN 0.158 nan 8.270 nan 0.000 0.384 170 P HA -0.048 nan 4.420 nan 0.000 0.271 170 P C 0.002 177.359 177.300 0.095 0.000 1.233 170 P CA -0.251 62.879 63.100 0.050 0.000 0.789 170 P CB 0.427 32.135 31.700 0.014 0.000 0.951 171 H N 3.444 122.565 119.070 0.085 0.000 3.115 171 H HA -0.062 4.494 4.556 -0.000 0.000 0.324 171 H C -1.174 174.235 175.328 0.134 0.000 1.007 171 H CA -0.373 55.777 56.048 0.169 0.000 1.385 171 H CB 0.358 30.331 29.762 0.352 0.000 1.351 171 H HN 0.264 nan 8.280 nan 0.000 0.592 172 P HA -0.198 nan 4.420 nan 0.000 0.218 172 P C 1.593 178.997 177.300 0.174 0.000 1.148 172 P CA 0.995 64.118 63.100 0.037 0.000 0.822 172 P CB -0.180 31.494 31.700 -0.043 0.000 0.784 173 F N 1.299 121.446 119.950 0.328 0.000 2.069 173 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 173 F C 2.601 178.412 175.800 0.018 0.000 1.113 173 F CA 2.244 60.373 58.000 0.216 0.000 1.214 173 F CB -1.059 38.158 39.000 0.362 0.000 0.978 173 F HN -0.166 nan 8.300 nan 0.000 0.474 174 I N -1.069 119.599 120.570 0.163 0.000 2.315 174 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 174 I C 2.290 178.311 176.117 -0.160 0.000 1.117 174 I CA 2.457 63.695 61.300 -0.104 0.000 1.404 174 I CB -1.776 36.146 38.000 -0.130 0.000 1.071 174 I HN 0.331 nan 8.210 nan 0.000 0.419 175 T N 0.036 114.541 114.554 -0.083 0.000 2.684 175 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 175 T C 2.310 176.904 174.700 -0.176 0.000 1.036 175 T CA 2.065 64.105 62.100 -0.101 0.000 1.148 175 T CB -0.434 68.399 68.868 -0.058 0.000 0.863 175 T HN 0.652 nan 8.240 nan 0.000 0.436 176 S N 0.596 116.161 115.700 -0.226 0.000 2.402 176 S HA 0.067 4.537 4.470 -0.000 0.000 0.229 176 S C 1.994 176.329 174.600 -0.441 0.000 1.021 176 S CA 0.793 58.806 58.200 -0.312 0.000 0.974 176 S CB -0.321 62.694 63.200 -0.309 0.000 0.800 176 S HN 0.416 nan 8.310 nan 0.000 0.484 177 M N 1.135 120.441 119.600 -0.490 0.000 2.086 177 M HA -0.103 4.377 4.480 -0.000 0.000 0.261 177 M C 1.829 177.910 176.300 -0.365 0.000 1.067 177 M CA 1.512 56.514 55.300 -0.497 0.000 1.116 177 M CB -0.279 32.047 32.600 -0.456 0.000 1.348 177 M HN 0.161 nan 8.290 nan 0.000 0.407 178 V N 0.996 120.759 119.914 -0.252 0.000 2.407 178 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 178 V C 3.062 179.071 176.094 -0.141 0.000 1.055 178 V CA 2.439 64.656 62.300 -0.138 0.000 1.049 178 V CB -1.819 29.950 31.823 -0.089 0.000 0.662 178 V HN 0.679 nan 8.190 nan 0.000 0.455 179 R N -0.091 120.293 120.500 -0.193 0.000 2.153 179 R HA 0.211 4.550 4.340 -0.000 0.000 0.218 179 R C 2.255 178.434 176.300 -0.203 0.000 1.072 179 R CA 1.604 57.610 56.100 -0.156 0.000 0.990 179 R CB -1.184 29.029 30.300 -0.145 0.000 0.889 179 R HN 0.612 nan 8.270 nan 0.000 0.452 180 A N 0.812 123.367 122.820 -0.443 0.000 1.872 180 A HA 0.116 4.436 4.320 -0.000 0.000 0.214 180 A C 2.418 179.803 177.584 -0.331 0.000 1.187 180 A CA 1.206 52.791 52.037 -0.752 0.000 0.614 180 A CB -0.275 17.753 19.000 -1.620 0.000 0.826 180 A HN 0.413 nan 8.150 nan 0.000 0.442 181 L N -0.564 120.523 121.223 -0.227 0.000 2.042 181 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 181 L C 2.386 179.343 176.870 0.145 0.000 1.076 181 L CA 1.929 56.861 54.840 0.154 0.000 0.749 181 L CB -0.463 41.677 42.059 0.135 0.000 0.893 181 L HN 0.430 nan 8.230 nan 0.000 0.432 182 D N -0.524 119.908 120.400 0.054 0.000 2.149 182 D HA -0.190 4.450 4.640 -0.000 0.000 0.201 182 D C 2.172 178.505 176.300 0.055 0.000 0.972 182 D CA 0.881 54.910 54.000 0.048 0.000 0.835 182 D CB 0.191 40.998 40.800 0.011 0.000 0.966 182 D HN 0.100 nan 8.370 nan 0.000 0.476 183 E N -0.090 120.164 120.200 0.090 0.000 2.072 183 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 183 E C 2.015 178.616 176.600 0.002 0.000 0.982 183 E CA 0.816 57.260 56.400 0.073 0.000 0.803 183 E CB -0.196 29.663 29.700 0.265 0.000 0.755 183 E HN 0.291 nan 8.360 nan 0.000 0.453 184 A N 0.829 123.778 122.820 0.214 0.000 1.986 184 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 184 A C 2.448 180.101 177.584 0.115 0.000 1.171 184 A CA 3.031 55.184 52.037 0.193 0.000 0.640 184 A CB -0.700 18.635 19.000 0.558 0.000 0.811 184 A HN 0.360 nan 8.150 nan 0.000 0.451 185 M N -0.802 118.861 119.600 0.106 0.000 2.435 185 M HA 0.064 4.544 4.480 -0.000 0.000 0.265 185 M C 1.680 177.986 176.300 0.010 0.000 1.104 185 M CA 1.802 57.153 55.300 0.085 0.000 1.140 185 M CB -1.751 30.903 32.600 0.090 0.000 1.372 185 M HN 0.712 nan 8.290 nan 0.000 0.456 186 N N -0.014 118.656 118.700 -0.050 0.000 2.309 186 N HA -0.102 4.638 4.740 -0.000 0.000 0.182 186 N C 1.703 177.093 175.510 -0.200 0.000 1.018 186 N CA 1.107 54.092 53.050 -0.108 0.000 0.876 186 N CB -0.090 38.326 38.487 -0.119 0.000 0.972 186 N HN 0.615 nan 8.380 nan 0.000 0.434 187 K N 0.830 121.049 120.400 -0.302 0.000 2.280 187 K HA -0.068 4.252 4.320 -0.000 0.000 0.202 187 K C 1.686 178.197 176.600 -0.149 0.000 1.047 187 K CA 0.684 56.676 56.287 -0.490 0.000 0.942 187 K CB -0.055 31.742 32.500 -1.172 0.000 0.739 187 K HN 0.261 nan 8.250 nan 0.000 0.457 188 L N 0.556 121.812 121.223 0.054 0.000 2.156 188 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 188 L C 2.893 179.812 176.870 0.082 0.000 1.095 188 L CA 1.595 56.545 54.840 0.183 0.000 0.770 188 L CB -0.562 41.593 42.059 0.160 0.000 0.914 188 L HN 0.252 nan 8.230 nan 0.000 0.439 189 Q N 0.537 120.342 119.800 0.007 0.000 2.398 189 Q HA 0.021 4.361 4.340 -0.000 0.000 0.204 189 Q C 1.157 177.143 176.000 -0.023 0.000 0.932 189 Q CA 0.154 55.954 55.803 -0.005 0.000 0.916 189 Q CB -0.425 28.302 28.738 -0.019 0.000 1.024 189 Q HN 0.447 nan 8.270 nan 0.000 0.504 190 R N 0.296 120.756 120.500 -0.066 0.000 2.484 190 R HA 0.391 4.731 4.340 -0.000 0.000 0.293 190 R C 1.265 177.569 176.300 0.006 0.000 1.023 190 R CA 0.231 56.293 56.100 -0.063 0.000 1.037 190 R CB 0.767 30.945 30.300 -0.203 0.000 0.951 190 R HN 0.438 nan 8.270 nan 0.000 0.418 191 A N 3.365 126.204 122.820 0.031 0.000 2.119 191 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 191 A C 0.612 178.230 177.584 0.056 0.000 1.153 191 A CA 0.943 53.003 52.037 0.040 0.000 0.692 191 A CB -0.156 18.864 19.000 0.033 0.000 0.799 191 A HN 0.815 nan 8.150 nan 0.000 0.458 192 N N -1.421 117.326 118.700 0.079 0.000 2.572 192 N HA 0.345 5.085 4.740 -0.000 0.000 0.287 192 N C -2.568 173.018 175.510 0.128 0.000 1.136 192 N CA -1.247 51.859 53.050 0.093 0.000 0.900 192 N CB 1.727 40.268 38.487 0.090 0.000 1.484 192 N HN -0.197 nan 8.380 nan 0.000 0.526 193 P HA -0.016 nan 4.420 nan 0.000 0.210 193 P C 0.140 177.503 177.300 0.105 0.000 1.192 193 P CA 0.873 63.983 63.100 0.016 0.000 0.913 193 P CB 0.213 31.914 31.700 0.001 0.000 0.774 194 D N 0.311 120.757 120.400 0.077 0.000 2.370 194 D HA -0.040 4.600 4.640 -0.000 0.000 0.256 194 D C 0.238 176.583 176.300 0.075 0.000 1.197 194 D CA 0.487 54.528 54.000 0.069 0.000 0.922 194 D CB -1.108 39.718 40.800 0.043 0.000 0.911 194 D HN 0.180 nan 8.370 nan 0.000 0.517 195 D N 0.136 120.609 120.400 0.122 0.000 2.383 195 D HA -0.073 4.567 4.640 -0.000 0.000 0.233 195 D C -1.450 174.846 176.300 -0.008 0.000 1.233 195 D CA -0.583 53.438 54.000 0.035 0.000 0.881 195 D CB 1.205 41.983 40.800 -0.036 0.000 1.212 195 D HN 0.099 nan 8.370 nan 0.000 0.467 196 P HA 0.187 nan 4.420 nan 0.000 0.267 196 P C 0.494 177.714 177.300 -0.133 0.000 1.289 196 P CA 0.031 63.092 63.100 -0.065 0.000 0.866 196 P CB 0.414 32.085 31.700 -0.048 0.000 1.309 197 A N 0.305 122.954 122.820 -0.285 0.000 1.865 197 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 197 A C 0.864 178.232 177.584 -0.360 0.000 1.191 197 A CA 1.217 52.995 52.037 -0.431 0.000 0.623 197 A CB -1.889 16.657 19.000 -0.757 0.000 0.826 197 A HN 0.180 nan 8.150 nan 0.000 0.444 198 Y N 0.818 121.096 120.300 -0.036 0.000 3.103 198 Y HA 0.378 4.928 4.550 -0.000 0.000 0.389 198 Y C 1.723 177.599 175.900 -0.041 0.000 1.082 198 Y CA 0.024 58.096 58.100 -0.046 0.000 1.987 198 Y CB -1.507 36.910 38.460 -0.072 0.000 2.096 198 Y HN 0.479 nan 8.280 nan 0.000 0.423 199 D N 0.838 121.269 120.400 0.051 0.000 2.262 199 D HA -0.079 4.560 4.640 -0.000 0.000 0.212 199 D C 1.560 177.883 176.300 0.037 0.000 0.964 199 D CA 0.858 54.879 54.000 0.034 0.000 0.875 199 D CB -0.058 40.744 40.800 0.003 0.000 0.996 199 D HN 0.535 nan 8.370 nan 0.000 0.497 200 E N -0.165 120.054 120.200 0.033 0.000 2.476 200 E HA 0.076 4.426 4.350 -0.000 0.000 0.191 200 E C 1.085 177.715 176.600 0.051 0.000 1.064 200 E CA 0.397 56.817 56.400 0.034 0.000 0.866 200 E CB -0.442 29.270 29.700 0.020 0.000 0.952 200 E HN 0.611 nan 8.360 nan 0.000 0.492 201 N N -0.198 118.543 118.700 0.070 0.000 2.197 201 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 201 N C 1.457 177.016 175.510 0.082 0.000 1.030 201 N CA 0.904 53.998 53.050 0.074 0.000 0.851 201 N CB 0.112 38.650 38.487 0.085 0.000 1.003 201 N HN -0.020 nan 8.380 nan 0.000 0.430 202 K N 0.819 121.251 120.400 0.054 0.000 2.147 202 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 202 K C 2.539 179.211 176.600 0.121 0.000 1.049 202 K CA 1.452 57.774 56.287 0.059 0.000 0.936 202 K CB -0.825 31.686 32.500 0.017 0.000 0.722 202 K HN 0.456 nan 8.250 nan 0.000 0.446 203 R N 0.778 121.328 120.500 0.083 0.000 2.100 203 R HA 0.053 4.393 4.340 -0.000 0.000 0.220 203 R C 2.209 178.543 176.300 0.057 0.000 1.091 203 R CA 1.650 57.788 56.100 0.065 0.000 0.986 203 R CB -0.966 29.358 30.300 0.040 0.000 0.888 203 R HN 0.471 nan 8.270 nan 0.000 0.444 204 Q N -0.661 119.174 119.800 0.058 0.000 2.016 204 Q HA -0.041 4.299 4.340 -0.000 0.000 0.200 204 Q C 1.831 177.851 176.000 0.033 0.000 0.978 204 Q CA 1.999 57.821 55.803 0.030 0.000 0.833 204 Q CB -0.581 28.170 28.738 0.023 0.000 0.895 204 Q HN 0.571 nan 8.270 nan 0.000 0.427 205 F N 0.806 120.719 119.950 -0.062 0.000 2.045 205 F HA -0.348 4.179 4.527 -0.000 0.000 0.297 205 F C 2.147 177.908 175.800 -0.065 0.000 1.114 205 F CA 2.242 60.195 58.000 -0.079 0.000 1.207 205 F CB -0.294 38.672 39.000 -0.056 0.000 0.964 205 F HN 0.209 nan 8.300 nan 0.000 0.486 206 Q N -0.158 119.714 119.800 0.121 0.000 2.226 206 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 206 Q C 2.386 178.370 176.000 -0.028 0.000 0.975 206 Q CA 1.500 57.337 55.803 0.057 0.000 0.866 206 Q CB -0.752 28.046 28.738 0.099 0.000 0.915 206 Q HN 0.595 nan 8.270 nan 0.000 0.440 207 E N 0.955 121.127 120.200 -0.046 0.000 2.046 207 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 207 E C 1.288 177.817 176.600 -0.118 0.000 0.982 207 E CA 1.141 57.504 56.400 -0.061 0.000 0.800 207 E CB -0.100 29.572 29.700 -0.047 0.000 0.756 207 E HN 0.411 nan 8.360 nan 0.000 0.449 208 D N 0.302 120.586 120.400 -0.193 0.000 2.123 208 D HA -0.090 4.550 4.640 -0.000 0.000 0.196 208 D C 2.066 178.166 176.300 -0.333 0.000 0.992 208 D CA 1.587 55.407 54.000 -0.301 0.000 0.833 208 D CB -0.392 40.160 40.800 -0.414 0.000 0.954 208 D HN 0.442 nan 8.370 nan 0.000 0.455 209 I N 0.799 121.173 120.570 -0.327 0.000 2.226 209 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 209 I C 2.471 178.529 176.117 -0.098 0.000 1.100 209 I CA 1.027 62.202 61.300 -0.209 0.000 1.374 209 I CB -0.187 37.742 38.000 -0.118 0.000 1.057 209 I HN -0.028 nan 8.210 nan 0.000 0.413 210 K N 1.091 121.447 120.400 -0.074 0.000 2.155 210 K HA -0.107 4.213 4.320 -0.000 0.000 0.203 210 K C 2.115 178.698 176.600 -0.029 0.000 1.052 210 K CA 1.024 57.292 56.287 -0.031 0.000 0.948 210 K CB 0.088 32.577 32.500 -0.018 0.000 0.728 210 K HN 0.110 nan 8.250 nan 0.000 0.448 211 V N 1.807 121.685 119.914 -0.060 0.000 2.332 211 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 211 V C 2.416 178.519 176.094 0.016 0.000 1.055 211 V CA 1.990 64.270 62.300 -0.033 0.000 1.038 211 V CB -0.295 31.479 31.823 -0.082 0.000 0.651 211 V HN 0.393 nan 8.190 nan 0.000 0.450 212 M N -0.702 118.846 119.600 -0.086 0.000 2.160 212 M HA -0.080 4.400 4.480 -0.000 0.000 0.264 212 M C 2.121 178.514 176.300 0.155 0.000 1.073 212 M CA 1.471 56.753 55.300 -0.029 0.000 1.142 212 M CB -0.604 31.808 32.600 -0.313 0.000 1.358 212 M HN 0.309 nan 8.290 nan 0.000 0.422 213 N N 1.330 120.056 118.700 0.043 0.000 2.069 213 N HA -0.173 4.567 4.740 -0.000 0.000 0.191 213 N C 1.604 177.130 175.510 0.025 0.000 1.031 213 N CA 2.217 55.279 53.050 0.020 0.000 0.852 213 N CB -1.104 37.377 38.487 -0.009 0.000 1.018 213 N HN 0.566 nan 8.380 nan 0.000 0.423 214 D N 0.809 121.229 120.400 0.033 0.000 2.117 214 D HA -0.009 4.631 4.640 -0.000 0.000 0.198 214 D C 2.078 178.395 176.300 0.027 0.000 0.982 214 D CA 1.021 55.034 54.000 0.022 0.000 0.828 214 D CB -0.497 40.315 40.800 0.020 0.000 0.967 214 D HN 0.152 nan 8.370 nan 0.000 0.464 215 L N 0.255 121.524 121.223 0.076 0.000 1.921 215 L HA -0.133 4.206 4.340 -0.000 0.000 0.219 215 L C 2.823 179.641 176.870 -0.086 0.000 1.081 215 L CA 1.856 56.706 54.840 0.017 0.000 0.771 215 L CB -0.520 41.605 42.059 0.110 0.000 0.888 215 L HN 0.218 nan 8.230 nan 0.000 0.433 216 V N 0.425 120.316 119.914 -0.038 0.000 2.252 216 V HA -0.440 3.680 4.120 -0.000 0.000 0.255 216 V C 2.318 178.364 176.094 -0.080 0.000 1.071 216 V CA 2.292 64.540 62.300 -0.087 0.000 1.050 216 V CB -0.959 30.878 31.823 0.023 0.000 0.654 216 V HN 0.595 nan 8.190 nan 0.000 0.448 217 D N 0.059 120.429 120.400 -0.051 0.000 2.123 217 D HA -0.162 4.478 4.640 -0.000 0.000 0.196 217 D C 2.371 178.641 176.300 -0.049 0.000 0.992 217 D CA 2.125 56.093 54.000 -0.053 0.000 0.833 217 D CB -0.407 40.365 40.800 -0.047 0.000 0.954 217 D HN 0.579 nan 8.370 nan 0.000 0.455 218 K N 1.097 121.469 120.400 -0.047 0.000 2.020 218 K HA -0.163 4.157 4.320 -0.000 0.000 0.212 218 K C 2.288 178.855 176.600 -0.055 0.000 1.050 218 K CA 1.653 57.915 56.287 -0.043 0.000 0.929 218 K CB -1.319 31.159 32.500 -0.038 0.000 0.714 218 K HN 0.257 nan 8.250 nan 0.000 0.443 219 I N 0.178 120.691 120.570 -0.095 0.000 2.315 219 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 219 I C 2.538 178.614 176.117 -0.069 0.000 1.117 219 I CA 1.250 62.489 61.300 -0.102 0.000 1.404 219 I CB -0.251 37.628 38.000 -0.201 0.000 1.071 219 I HN 0.249 nan 8.210 nan 0.000 0.419 220 I N 0.839 121.370 120.570 -0.065 0.000 2.226 220 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 220 I C 2.789 178.888 176.117 -0.030 0.000 1.100 220 I CA 1.413 62.687 61.300 -0.043 0.000 1.374 220 I CB -0.498 37.478 38.000 -0.040 0.000 1.057 220 I HN 0.178 nan 8.210 nan 0.000 0.413 221 A N 0.633 123.435 122.820 -0.031 0.000 1.873 221 A HA -0.253 4.067 4.320 -0.000 0.000 0.215 221 A C 2.197 179.771 177.584 -0.017 0.000 1.186 221 A CA 2.216 54.240 52.037 -0.021 0.000 0.616 221 A CB -1.512 17.476 19.000 -0.020 0.000 0.823 221 A HN 0.478 nan 8.150 nan 0.000 0.442 222 D N -0.988 119.401 120.400 -0.019 0.000 2.218 222 D HA -0.031 4.609 4.640 -0.000 0.000 0.204 222 D C 2.161 178.453 176.300 -0.013 0.000 0.976 222 D CA 2.718 56.710 54.000 -0.014 0.000 0.853 222 D CB -0.708 40.086 40.800 -0.011 0.000 0.939 222 D HN 0.724 nan 8.370 nan 0.000 0.481 223 R N 1.051 121.541 120.500 -0.016 0.000 2.051 223 R HA 0.003 4.343 4.340 -0.000 0.000 0.225 223 R C 2.499 178.794 176.300 -0.009 0.000 1.155 223 R CA 1.963 58.055 56.100 -0.014 0.000 0.945 223 R CB -1.238 29.052 30.300 -0.018 0.000 0.840 223 R HN 0.693 nan 8.270 nan 0.000 0.432 224 K N 0.483 120.878 120.400 -0.008 0.000 2.089 224 K HA -0.024 4.296 4.320 -0.000 0.000 0.210 224 K C 2.271 178.869 176.600 -0.003 0.000 1.048 224 K CA 2.025 58.309 56.287 -0.004 0.000 0.926 224 K CB -0.499 31.998 32.500 -0.004 0.000 0.714 224 K HN 0.357 nan 8.250 nan 0.000 0.448 225 A N 0.792 123.609 122.820 -0.005 0.000 1.929 225 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 225 A C 2.579 180.160 177.584 -0.004 0.000 1.176 225 A CA 1.699 53.734 52.037 -0.004 0.000 0.628 225 A CB -1.067 17.930 19.000 -0.005 0.000 0.816 225 A HN 0.584 nan 8.150 nan 0.000 0.444 226 S N -1.285 114.412 115.700 -0.005 0.000 2.406 226 S HA 0.304 4.774 4.470 -0.000 0.000 0.228 226 S C 1.940 176.538 174.600 -0.003 0.000 1.020 226 S CA 1.502 59.699 58.200 -0.004 0.000 0.965 226 S CB -0.643 nan 63.200 nan 0.000 0.798 226 S HN 1.936 nan 8.310 nan 0.000 0.488 227 G N -0.368 108.431 108.800 -0.002 0.000 2.168 227 G HA2 0.012 3.972 3.960 -0.000 0.000 0.257 227 G HA3 0.012 3.972 3.960 -0.000 0.000 0.257 227 G C 0.253 175.153 174.900 -0.000 0.000 0.997 227 G CA 1.396 46.496 45.100 0.000 0.000 0.708 227 G HN 1.431 nan 8.290 nan 0.000 0.520 228 E N -0.369 119.830 120.200 -0.003 0.000 2.458 228 E HA 0.406 4.756 4.350 -0.000 0.000 0.264 228 E C 0.560 177.159 176.600 -0.002 0.000 1.097 228 E CA 0.640 57.038 56.400 -0.004 0.000 0.973 228 E CB 0.159 29.855 29.700 -0.007 0.000 0.963 228 E HN 0.385 nan 8.360 nan 0.000 0.451 229 Q N 0.714 120.514 119.800 -0.001 0.000 2.815 229 Q HA 0.323 4.663 4.340 -0.000 0.000 0.329 229 Q C -0.852 175.149 176.000 0.003 0.000 1.037 229 Q CA -0.183 55.621 55.803 0.003 0.000 1.002 229 Q CB 0.711 29.451 28.738 0.003 0.000 1.274 229 Q HN 0.506 nan 8.270 nan 0.000 0.452 230 S N 0.293 115.992 115.700 -0.002 0.000 2.578 230 S HA 0.272 4.742 4.470 -0.000 0.000 0.283 230 S C -0.254 174.343 174.600 -0.006 0.000 1.195 230 S CA -0.399 57.799 58.200 -0.003 0.000 1.050 230 S CB 0.811 64.004 63.200 -0.012 0.000 1.012 230 S HN 0.288 nan 8.310 nan 0.000 0.511 231 D N 2.111 122.517 120.400 0.011 0.000 3.088 231 D HA 0.272 4.912 4.640 -0.000 0.000 0.310 231 D C -0.823 175.470 176.300 -0.012 0.000 1.351 231 D CA -0.396 53.630 54.000 0.044 0.000 0.921 231 D CB 0.033 40.871 40.800 0.063 0.000 1.045 231 D HN 0.583 nan 8.370 nan 0.000 0.504 232 D N -1.184 119.068 120.400 -0.246 0.000 2.533 232 D HA 0.088 4.728 4.640 -0.000 0.000 0.247 232 D C 1.289 177.177 176.300 -0.686 0.000 1.056 232 D CA -0.759 53.083 54.000 -0.264 0.000 1.054 232 D CB 0.632 41.399 40.800 -0.056 0.000 1.400 232 D HN -0.209 nan 8.370 nan 0.000 0.533 233 L N -0.108 120.884 121.223 -0.386 0.000 2.034 233 L HA -0.163 4.177 4.340 -0.000 0.000 0.217 233 L C 2.226 179.012 176.870 -0.140 0.000 1.077 233 L CA 1.474 56.148 54.840 -0.276 0.000 0.769 233 L CB -1.496 40.448 42.059 -0.191 0.000 0.890 233 L HN 0.620 nan 8.230 nan 0.000 0.435 234 L N -1.187 119.980 121.223 -0.094 0.000 2.093 234 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 234 L C 2.383 179.226 176.870 -0.046 0.000 1.085 234 L CA 1.871 56.696 54.840 -0.026 0.000 0.755 234 L CB -0.878 41.169 42.059 -0.021 0.000 0.904 234 L HN 0.212 nan 8.230 nan 0.000 0.435 235 T N -0.935 113.548 114.554 -0.118 0.000 2.674 235 T HA -0.220 4.130 4.350 -0.000 0.000 0.265 235 T C 1.637 176.362 174.700 0.041 0.000 1.039 235 T CA 1.970 64.034 62.100 -0.060 0.000 1.150 235 T CB -0.470 68.357 68.868 -0.069 0.000 0.864 235 T HN 0.623 nan 8.240 nan 0.000 0.427 236 H N 0.253 119.331 119.070 0.014 0.000 2.387 236 H HA -0.016 4.540 4.556 -0.000 0.000 0.299 236 H C 2.396 177.739 175.328 0.024 0.000 1.099 236 H CA 1.127 57.180 56.048 0.008 0.000 1.315 236 H CB -0.134 29.623 29.762 -0.008 0.000 1.380 236 H HN 0.280 nan 8.280 nan 0.000 0.513 237 M N 0.153 119.838 119.600 0.140 0.000 2.193 237 M HA -0.097 4.383 4.480 -0.000 0.000 0.265 237 M C 2.169 178.512 176.300 0.072 0.000 1.071 237 M CA 1.112 56.477 55.300 0.110 0.000 1.140 237 M CB -0.021 32.647 32.600 0.114 0.000 1.369 237 M HN 0.242 nan 8.290 nan 0.000 0.423 238 L N 0.262 121.517 121.223 0.054 0.000 2.201 238 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 238 L C 1.831 178.723 176.870 0.037 0.000 1.105 238 L CA 0.797 55.659 54.840 0.036 0.000 0.775 238 L CB -0.446 41.626 42.059 0.022 0.000 0.913 238 L HN 0.356 nan 8.230 nan 0.000 0.440 239 N N -0.217 118.512 118.700 0.049 0.000 2.368 239 N HA 0.015 4.755 4.740 -0.000 0.000 0.178 239 N C 1.036 176.569 175.510 0.038 0.000 1.021 239 N CA 0.682 53.758 53.050 0.042 0.000 0.875 239 N CB -0.430 38.088 38.487 0.052 0.000 1.020 239 N HN 0.137 nan 8.380 nan 0.000 0.433 240 G N 1.402 110.233 108.800 0.051 0.000 2.224 240 G HA2 0.058 4.018 3.960 -0.000 0.000 0.239 240 G HA3 0.058 4.018 3.960 -0.000 0.000 0.239 240 G C -0.356 174.560 174.900 0.026 0.000 1.240 240 G CA 0.187 45.309 45.100 0.037 0.000 0.896 240 G HN 0.171 nan 8.290 nan 0.000 0.496 241 K N 1.517 121.926 120.400 0.014 0.000 2.316 241 K HA 0.232 4.552 4.320 -0.000 0.000 0.251 241 K C -0.965 175.638 176.600 0.006 0.000 0.934 241 K CA -0.928 55.366 56.287 0.012 0.000 0.802 241 K CB 2.235 34.741 32.500 0.011 0.000 1.171 241 K HN 0.538 nan 8.250 nan 0.000 0.426 242 D N 3.530 123.934 120.400 0.007 0.000 2.339 242 D HA 0.060 4.700 4.640 -0.000 0.000 0.256 242 D C -1.841 174.462 176.300 0.006 0.000 1.214 242 D CA -1.951 52.050 54.000 0.002 0.000 0.877 242 D CB 0.916 41.718 40.800 0.005 0.000 1.111 242 D HN 0.170 nan 8.370 nan 0.000 0.478 243 P HA 0.124 nan 4.420 nan 0.000 0.244 243 P C -0.115 177.193 177.300 0.013 0.000 1.632 243 P CA 0.157 63.261 63.100 0.006 0.000 0.944 243 P CB 0.409 32.109 31.700 -0.001 0.000 1.569 244 E N -0.426 119.786 120.200 0.019 0.000 2.288 244 E HA 0.003 4.352 4.350 -0.000 0.000 0.200 244 E C 1.468 178.085 176.600 0.029 0.000 0.880 244 E CA 1.180 57.598 56.400 0.028 0.000 0.971 244 E CB -0.229 29.495 29.700 0.040 0.000 0.954 244 E HN 0.256 nan 8.360 nan 0.000 0.489 245 T N -1.561 113.010 114.554 0.028 0.000 3.081 245 T HA 0.187 4.537 4.350 -0.000 0.000 0.250 245 T C 1.486 176.200 174.700 0.023 0.000 1.100 245 T CA 0.470 62.587 62.100 0.029 0.000 1.038 245 T CB 0.149 69.037 68.868 0.033 0.000 0.962 245 T HN 0.241 nan 8.240 nan 0.000 0.516 246 G N 1.524 110.336 108.800 0.019 0.000 2.441 246 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.298 246 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.298 246 G C -0.314 174.596 174.900 0.017 0.000 0.949 246 G CA 0.478 45.587 45.100 0.015 0.000 1.072 246 G HN 0.705 nan 8.290 nan 0.000 0.512 247 E N 0.073 120.284 120.200 0.019 0.000 2.299 247 E HA 0.536 4.886 4.350 -0.000 0.000 0.265 247 E C -2.613 174.000 176.600 0.022 0.000 0.911 247 E CA -2.214 54.199 56.400 0.021 0.000 0.789 247 E CB 2.732 32.448 29.700 0.026 0.000 1.246 247 E HN 0.167 nan 8.360 nan 0.000 0.427 248 P HA 0.230 nan 4.420 nan 0.000 0.298 248 P C -0.539 176.779 177.300 0.031 0.000 1.314 248 P CA -0.555 62.560 63.100 0.026 0.000 0.854 248 P CB 0.777 32.491 31.700 0.023 0.000 1.019 249 L N 3.073 124.317 121.223 0.036 0.000 2.660 249 L HA -0.007 4.333 4.340 -0.000 0.000 0.272 249 L C 1.357 178.249 176.870 0.036 0.000 1.194 249 L CA 0.399 55.263 54.840 0.041 0.000 0.945 249 L CB -0.522 41.568 42.059 0.051 0.000 1.212 249 L HN 0.470 nan 8.230 nan 0.000 0.490 250 D N 2.871 123.293 120.400 0.037 0.000 2.694 250 D HA -0.184 4.456 4.640 -0.000 0.000 0.223 250 D C 0.699 177.010 176.300 0.018 0.000 1.158 250 D CA 0.323 54.342 54.000 0.032 0.000 0.859 250 D CB 0.799 41.627 40.800 0.047 0.000 1.210 250 D HN 0.518 nan 8.370 nan 0.000 0.506 251 D N 1.816 122.217 120.400 0.003 0.000 2.123 251 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 251 D C 1.658 177.926 176.300 -0.054 0.000 0.976 251 D CA 0.890 54.879 54.000 -0.019 0.000 0.831 251 D CB -0.067 40.720 40.800 -0.022 0.000 0.974 251 D HN 0.643 nan 8.370 nan 0.000 0.469 252 E N 0.427 120.594 120.200 -0.056 0.000 2.085 252 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 252 E C 1.861 178.384 176.600 -0.129 0.000 0.994 252 E CA 0.861 57.184 56.400 -0.128 0.000 0.801 252 E CB 0.004 29.673 29.700 -0.051 0.000 0.743 252 E HN 0.147 nan 8.360 nan 0.000 0.453 253 N N 0.432 119.155 118.700 0.037 0.000 2.270 253 N HA -0.102 4.638 4.740 -0.000 0.000 0.181 253 N C 2.039 177.590 175.510 0.068 0.000 1.016 253 N CA 0.702 53.834 53.050 0.135 0.000 0.870 253 N CB 0.002 38.566 38.487 0.129 0.000 0.979 253 N HN 0.248 nan 8.380 nan 0.000 0.431 254 I N 1.354 121.933 120.570 0.015 0.000 2.286 254 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 254 I C 2.760 178.857 176.117 -0.033 0.000 1.115 254 I CA 0.791 62.094 61.300 0.004 0.000 1.392 254 I CB -0.289 37.717 38.000 0.010 0.000 1.065 254 I HN 0.202 nan 8.210 nan 0.000 0.418 255 R N 0.935 121.378 120.500 -0.095 0.000 2.080 255 R HA -0.242 4.098 4.340 -0.000 0.000 0.236 255 R C 2.442 178.700 176.300 -0.070 0.000 1.137 255 R CA 2.027 58.049 56.100 -0.128 0.000 0.943 255 R CB -0.743 29.414 30.300 -0.239 0.000 0.846 255 R HN 0.157 nan 8.270 nan 0.000 0.431 256 Y N 1.704 121.999 120.300 -0.010 0.000 2.102 256 Y HA -0.266 4.283 4.550 -0.000 0.000 0.280 256 Y C 2.748 178.578 175.900 -0.116 0.000 1.178 256 Y CA 1.481 59.563 58.100 -0.031 0.000 1.146 256 Y CB -0.767 37.682 38.460 -0.019 0.000 0.968 256 Y HN 0.198 nan 8.280 nan 0.000 0.504 257 Q N -0.056 119.735 119.800 -0.015 0.000 2.112 257 Q HA -0.197 4.143 4.340 -0.000 0.000 0.206 257 Q C 2.504 178.117 176.000 -0.645 0.000 0.987 257 Q CA 1.770 57.360 55.803 -0.356 0.000 0.858 257 Q CB -0.838 27.751 28.738 -0.249 0.000 0.905 257 Q HN 0.569 nan 8.270 nan 0.000 0.420 258 I N -0.132 120.297 120.570 -0.235 0.000 2.353 258 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 258 I C 2.186 178.325 176.117 0.036 0.000 1.119 258 I CA 0.513 61.775 61.300 -0.064 0.000 1.417 258 I CB -0.132 37.884 38.000 0.027 0.000 1.078 258 I HN 0.085 nan 8.210 nan 0.000 0.421 259 I N 0.238 120.858 120.570 0.084 0.000 2.179 259 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 259 I C 2.501 178.685 176.117 0.111 0.000 1.088 259 I CA 1.543 62.956 61.300 0.189 0.000 1.357 259 I CB -0.603 37.536 38.000 0.232 0.000 1.051 259 I HN 0.193 nan 8.210 nan 0.000 0.409 260 T N 1.058 115.610 114.554 -0.003 0.000 2.685 260 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 260 T C 1.658 176.333 174.700 -0.040 0.000 1.034 260 T CA 1.836 63.893 62.100 -0.071 0.000 1.149 260 T CB -0.600 68.175 68.868 -0.155 0.000 0.860 260 T HN 0.259 nan 8.240 nan 0.000 0.449 261 F N 0.685 120.678 119.950 0.072 0.000 2.171 261 F HA 0.012 4.539 4.527 -0.000 0.000 0.300 261 F C 2.177 177.989 175.800 0.020 0.000 1.090 261 F CA 0.408 58.422 58.000 0.024 0.000 1.293 261 F CB -0.502 38.523 39.000 0.042 0.000 1.013 261 F HN 0.094 nan 8.300 nan 0.000 0.486 262 L N -0.013 121.345 121.223 0.224 0.000 2.023 262 L HA -0.184 4.155 4.340 -0.000 0.000 0.205 262 L C 2.311 179.279 176.870 0.164 0.000 1.073 262 L CA 1.214 56.158 54.840 0.173 0.000 0.745 262 L CB -0.677 41.502 42.059 0.200 0.000 0.900 262 L HN 0.094 nan 8.230 nan 0.000 0.435 263 I N -0.945 119.708 120.570 0.138 0.000 2.286 263 I HA -0.335 3.835 4.170 -0.000 0.000 0.248 263 I C 2.611 178.773 176.117 0.075 0.000 1.115 263 I CA 1.006 62.396 61.300 0.150 0.000 1.392 263 I CB -0.340 37.737 38.000 0.128 0.000 1.065 263 I HN 0.406 nan 8.210 nan 0.000 0.418 264 C N 0.412 119.696 119.300 -0.026 0.000 2.489 264 C HA -0.015 4.445 4.460 -0.000 0.000 0.279 264 C C 2.862 177.801 174.990 -0.084 0.000 1.266 264 C CA 1.284 60.186 59.018 -0.194 0.000 1.707 264 C CB -1.315 26.277 27.740 -0.247 0.000 2.059 264 C HN 0.654 nan 8.230 nan 0.000 0.481 265 G N -0.268 108.541 108.800 0.015 0.000 2.595 265 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.213 265 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.213 265 G C 1.357 176.303 174.900 0.076 0.000 1.141 265 G CA 0.861 45.990 45.100 0.049 0.000 0.806 265 G HN 0.744 nan 8.290 nan 0.000 0.530 266 H N 1.209 120.296 119.070 0.028 0.000 2.289 266 H HA -0.096 4.460 4.556 -0.000 0.000 0.296 266 H C 1.962 177.311 175.328 0.035 0.000 1.091 266 H CA 1.894 57.961 56.048 0.032 0.000 1.274 266 H CB -0.408 29.350 29.762 -0.006 0.000 1.364 266 H HN 0.375 nan 8.280 nan 0.000 0.490 267 E N 0.737 120.484 120.200 -0.756 0.000 2.299 267 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 267 E C 2.309 178.774 176.600 -0.225 0.000 0.998 267 E CA 1.516 57.498 56.400 -0.697 0.000 0.851 267 E CB -0.126 29.233 29.700 -0.569 0.000 0.795 267 E HN 0.735 nan 8.360 nan 0.000 0.492 268 T N -3.160 111.330 114.554 -0.105 0.000 2.896 268 T HA -0.044 4.306 4.350 -0.000 0.000 0.263 268 T C 1.903 176.630 174.700 0.044 0.000 1.050 268 T CA 1.411 63.504 62.100 -0.012 0.000 1.140 268 T CB -0.523 68.346 68.868 0.002 0.000 0.877 268 T HN -0.020 nan 8.240 nan 0.000 0.457 269 T N 1.771 116.360 114.554 0.058 0.000 2.851 269 T HA 0.006 4.356 4.350 -0.000 0.000 0.262 269 T C 2.298 177.051 174.700 0.087 0.000 1.043 269 T CA 1.167 63.338 62.100 0.119 0.000 1.140 269 T CB -0.565 68.403 68.868 0.166 0.000 0.872 269 T HN 0.449 nan 8.240 nan 0.000 0.446 270 S N 0.852 116.567 115.700 0.025 0.000 2.374 270 S HA -0.109 4.361 4.470 -0.000 0.000 0.227 270 S C 2.328 176.936 174.600 0.014 0.000 1.037 270 S CA 1.820 60.024 58.200 0.006 0.000 1.024 270 S CB -0.849 62.306 63.200 -0.074 0.000 0.861 270 S HN 0.607 nan 8.310 nan 0.000 0.456 271 G N 1.403 110.213 108.800 0.017 0.000 2.403 271 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.216 271 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.216 271 G C 1.339 176.369 174.900 0.218 0.000 1.154 271 G CA 0.899 46.025 45.100 0.043 0.000 0.784 271 G HN 0.493 nan 8.290 nan 0.000 0.538 272 L N 0.794 122.159 121.223 0.237 0.000 1.971 272 L HA -0.039 4.301 4.340 -0.000 0.000 0.215 272 L C 2.635 179.657 176.870 0.253 0.000 1.072 272 L CA 1.688 56.694 54.840 0.277 0.000 0.758 272 L CB -0.947 41.235 42.059 0.205 0.000 0.889 272 L HN 0.213 nan 8.230 nan 0.000 0.433 273 L N -0.899 120.428 121.223 0.172 0.000 2.201 273 L HA -0.156 4.183 4.340 -0.000 0.000 0.212 273 L C 2.372 179.332 176.870 0.149 0.000 1.105 273 L CA 1.152 56.082 54.840 0.150 0.000 0.775 273 L CB -0.457 41.671 42.059 0.114 0.000 0.913 273 L HN 0.291 nan 8.230 nan 0.000 0.440 274 S N -0.617 115.144 115.700 0.103 0.000 2.357 274 S HA -0.081 4.388 4.470 -0.000 0.000 0.221 274 S C 1.767 176.400 174.600 0.055 0.000 1.031 274 S CA 0.953 59.200 58.200 0.080 0.000 0.982 274 S CB -0.377 62.772 63.200 -0.084 0.000 0.853 274 S HN 0.184 nan 8.310 nan 0.000 0.458 275 F N 2.394 122.383 119.950 0.065 0.000 2.069 275 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 275 F C 2.697 178.576 175.800 0.131 0.000 1.113 275 F CA 0.623 58.632 58.000 0.014 0.000 1.214 275 F CB -1.230 37.874 39.000 0.174 0.000 0.978 275 F HN 0.168 nan 8.300 nan 0.000 0.474 276 A N 0.025 123.094 122.820 0.415 0.000 1.869 276 A HA -0.263 4.056 4.320 -0.000 0.000 0.218 276 A C 2.170 179.858 177.584 0.172 0.000 1.203 276 A CA 2.127 54.356 52.037 0.320 0.000 0.638 276 A CB -1.357 17.800 19.000 0.262 0.000 0.831 276 A HN 0.358 nan 8.150 nan 0.000 0.450 277 L N -1.655 119.662 121.223 0.158 0.000 2.083 277 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 277 L C 2.314 179.259 176.870 0.126 0.000 1.083 277 L CA 2.401 57.310 54.840 0.115 0.000 0.752 277 L CB -0.931 41.200 42.059 0.121 0.000 0.899 277 L HN 0.570 nan 8.230 nan 0.000 0.433 278 Y N -1.075 119.110 120.300 -0.191 0.000 2.181 278 Y HA -0.288 4.262 4.550 -0.000 0.000 0.288 278 Y C 2.023 177.657 175.900 -0.443 0.000 1.146 278 Y CA 1.839 59.526 58.100 -0.688 0.000 1.164 278 Y CB -0.434 37.347 38.460 -1.131 0.000 0.982 278 Y HN 0.183 nan 8.280 nan 0.000 0.515 279 F N -0.198 119.518 119.950 -0.390 0.000 2.259 279 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 279 F C 2.070 177.524 175.800 -0.576 0.000 1.088 279 F CA 1.037 58.593 58.000 -0.740 0.000 1.358 279 F CB -0.779 37.367 39.000 -1.423 0.000 1.040 279 F HN 0.053 nan 8.300 nan 0.000 0.505 280 L N -0.266 120.870 121.223 -0.146 0.000 2.017 280 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 280 L C 2.572 179.437 176.870 -0.009 0.000 1.073 280 L CA 1.408 56.244 54.840 -0.006 0.000 0.745 280 L CB -1.070 41.025 42.059 0.060 0.000 0.894 280 L HN 0.122 nan 8.230 nan 0.000 0.432 281 V N -3.219 116.666 119.914 -0.048 0.000 2.594 281 V HA -0.151 3.969 4.120 -0.000 0.000 0.253 281 V C 2.398 178.449 176.094 -0.071 0.000 1.069 281 V CA 1.348 63.644 62.300 -0.008 0.000 1.082 281 V CB -0.576 31.293 31.823 0.075 0.000 0.680 281 V HN 0.271 nan 8.190 nan 0.000 0.469 282 K N 1.138 121.413 120.400 -0.208 0.000 2.228 282 K HA 0.137 4.457 4.320 -0.000 0.000 0.202 282 K C 0.656 177.247 176.600 -0.015 0.000 1.051 282 K CA 0.566 56.740 56.287 -0.188 0.000 0.960 282 K CB -0.355 31.909 32.500 -0.392 0.000 0.743 282 K HN 0.598 nan 8.250 nan 0.000 0.458 283 N N 1.018 119.740 118.700 0.036 0.000 2.918 283 N HA 0.163 4.902 4.740 -0.000 0.000 0.270 283 N C -2.351 173.256 175.510 0.161 0.000 1.536 283 N CA -1.302 51.850 53.050 0.171 0.000 0.877 283 N CB 1.500 40.137 38.487 0.250 0.000 1.190 283 N HN -0.159 nan 8.380 nan 0.000 0.492 284 P HA -0.192 nan 4.420 nan 0.000 0.218 284 P C 0.712 177.946 177.300 -0.109 0.000 1.150 284 P CA 1.651 64.704 63.100 -0.079 0.000 0.841 284 P CB 0.267 31.832 31.700 -0.225 0.000 0.784 285 H N -2.182 116.957 119.070 0.114 0.000 2.395 285 H HA -0.018 4.537 4.556 -0.000 0.000 0.299 285 H C 1.815 177.235 175.328 0.154 0.000 1.070 285 H CA 0.829 56.945 56.048 0.112 0.000 1.356 285 H CB -1.136 28.684 29.762 0.097 0.000 1.401 285 H HN -0.055 nan 8.280 nan 0.000 0.524 286 V N 0.871 120.992 119.914 0.346 0.000 2.453 286 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 286 V C 2.337 178.650 176.094 0.365 0.000 1.048 286 V CA 1.032 63.576 62.300 0.406 0.000 1.049 286 V CB -0.575 31.534 31.823 0.477 0.000 0.672 286 V HN 0.234 nan 8.190 nan 0.000 0.457 287 L N 0.501 121.877 121.223 0.256 0.000 1.956 287 L HA -0.249 4.090 4.340 -0.000 0.000 0.216 287 L C 2.590 179.585 176.870 0.208 0.000 1.073 287 L CA 2.481 57.452 54.840 0.219 0.000 0.762 287 L CB -1.505 40.654 42.059 0.166 0.000 0.889 287 L HN 0.356 nan 8.230 nan 0.000 0.433 288 Q N -0.308 119.582 119.800 0.151 0.000 2.084 288 Q HA -0.348 3.991 4.340 -0.000 0.000 0.215 288 Q C 2.466 178.525 176.000 0.099 0.000 1.020 288 Q CA 2.785 58.653 55.803 0.110 0.000 0.887 288 Q CB -0.498 28.284 28.738 0.074 0.000 0.975 288 Q HN 0.703 nan 8.270 nan 0.000 0.413 289 K N -0.833 119.621 120.400 0.090 0.000 2.097 289 K HA 0.015 4.335 4.320 -0.000 0.000 0.205 289 K C 2.321 178.952 176.600 0.051 0.000 1.050 289 K CA 0.972 57.227 56.287 -0.053 0.000 0.938 289 K CB -0.306 31.957 32.500 -0.395 0.000 0.718 289 K HN 0.418 nan 8.250 nan 0.000 0.442 290 A N 1.737 124.739 122.820 0.303 0.000 1.855 290 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 290 A C 2.420 180.139 177.584 0.225 0.000 1.191 290 A CA 1.813 54.081 52.037 0.385 0.000 0.613 290 A CB -0.729 18.497 19.000 0.377 0.000 0.829 290 A HN 0.309 nan 8.150 nan 0.000 0.442 291 A N 0.180 123.115 122.820 0.191 0.000 1.902 291 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 291 A C 2.052 179.691 177.584 0.092 0.000 1.181 291 A CA 1.934 54.060 52.037 0.149 0.000 0.623 291 A CB -0.654 18.436 19.000 0.151 0.000 0.818 291 A HN 0.765 nan 8.150 nan 0.000 0.443 292 E N 0.023 120.265 120.200 0.071 0.000 2.118 292 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 292 E C 1.915 178.538 176.600 0.037 0.000 0.992 292 E CA 1.518 57.940 56.400 0.037 0.000 0.804 292 E CB -0.298 29.410 29.700 0.014 0.000 0.741 292 E HN 0.765 nan 8.360 nan 0.000 0.458 293 E N 0.017 120.252 120.200 0.059 0.000 2.208 293 E HA -0.134 4.215 4.350 -0.000 0.000 0.193 293 E C 1.894 178.533 176.600 0.065 0.000 0.988 293 E CA 0.775 57.213 56.400 0.064 0.000 0.828 293 E CB -0.085 29.678 29.700 0.105 0.000 0.763 293 E HN 0.395 nan 8.360 nan 0.000 0.478 294 A N 1.521 124.387 122.820 0.078 0.000 1.841 294 A HA -0.064 4.256 4.320 -0.000 0.000 0.214 294 A C 2.470 180.067 177.584 0.022 0.000 1.195 294 A CA 1.728 53.803 52.037 0.064 0.000 0.611 294 A CB -0.965 18.088 19.000 0.087 0.000 0.835 294 A HN 0.396 nan 8.150 nan 0.000 0.443 295 A N -0.743 122.083 122.820 0.009 0.000 1.940 295 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 295 A C 2.300 179.877 177.584 -0.011 0.000 1.176 295 A CA 1.797 53.822 52.037 -0.020 0.000 0.631 295 A CB -0.495 18.494 19.000 -0.019 0.000 0.814 295 A HN 0.504 nan 8.150 nan 0.000 0.446 296 R N -0.728 119.775 120.500 0.005 0.000 2.119 296 R HA -0.012 4.328 4.340 -0.000 0.000 0.222 296 R C 1.734 178.040 176.300 0.010 0.000 1.088 296 R CA 1.545 57.648 56.100 0.006 0.000 0.984 296 R CB -0.078 30.229 30.300 0.011 0.000 0.884 296 R HN 0.403 nan 8.270 nan 0.000 0.447 297 V N 0.621 120.546 119.914 0.018 0.000 2.672 297 V HA 0.019 4.139 4.120 -0.000 0.000 0.242 297 V C 1.049 177.154 176.094 0.018 0.000 1.059 297 V CA 0.657 62.971 62.300 0.022 0.000 1.081 297 V CB 0.124 31.968 31.823 0.034 0.000 0.752 297 V HN 0.138 nan 8.190 nan 0.000 0.472 298 L N 2.002 123.232 121.223 0.012 0.000 2.389 298 L HA 0.212 4.551 4.340 -0.000 0.000 0.265 298 L C 1.114 177.980 176.870 -0.006 0.000 1.167 298 L CA -0.116 54.731 54.840 0.012 0.000 1.045 298 L CB 0.793 42.862 42.059 0.015 0.000 1.351 298 L HN 0.232 nan 8.230 nan 0.000 0.419 299 V N -3.199 116.716 119.914 0.003 0.000 3.174 299 V HA 0.125 4.245 4.120 -0.000 0.000 0.254 299 V C 0.767 176.863 176.094 0.003 0.000 1.120 299 V CA 0.233 62.530 62.300 -0.004 0.000 1.114 299 V CB -0.258 31.566 31.823 0.001 0.000 0.756 299 V HN 0.430 nan 8.190 nan 0.000 0.467 300 D N 2.063 122.474 120.400 0.018 0.000 2.358 300 D HA 0.279 4.919 4.640 -0.000 0.000 0.244 300 D C -1.650 174.671 176.300 0.036 0.000 1.163 300 D CA -1.700 52.317 54.000 0.027 0.000 0.945 300 D CB 0.824 41.647 40.800 0.039 0.000 1.152 300 D HN 0.181 nan 8.370 nan 0.000 0.451 301 P HA -0.019 nan 4.420 nan 0.000 0.224 301 P C 0.235 177.577 177.300 0.071 0.000 1.157 301 P CA 0.498 63.631 63.100 0.055 0.000 0.799 301 P CB 0.294 32.016 31.700 0.037 0.000 0.809 302 V N -4.236 115.716 119.914 0.062 0.000 2.555 302 V HA 0.670 4.790 4.120 -0.000 0.000 0.302 302 V C -2.975 173.179 176.094 0.099 0.000 1.038 302 V CA -3.148 59.195 62.300 0.072 0.000 0.887 302 V CB 1.337 33.191 31.823 0.053 0.000 0.991 302 V HN -0.267 nan 8.190 nan 0.000 0.434 303 P HA 0.182 nan 4.420 nan 0.000 0.264 303 P C 0.043 177.502 177.300 0.265 0.000 1.183 303 P CA 0.462 63.653 63.100 0.152 0.000 0.763 303 P CB 0.394 32.180 31.700 0.143 0.000 0.807 304 S N 2.506 118.305 115.700 0.166 0.000 2.652 304 S HA 0.160 4.630 4.470 -0.000 0.000 0.270 304 S C 0.851 175.355 174.600 -0.160 0.000 1.243 304 S CA -0.417 57.829 58.200 0.076 0.000 0.999 304 S CB 0.328 63.554 63.200 0.044 0.000 0.973 304 S HN 0.466 nan 8.310 nan 0.000 0.544 305 Y N 2.006 121.880 120.300 -0.709 0.000 2.097 305 Y HA -0.112 4.438 4.550 -0.000 0.000 0.282 305 Y C 2.737 178.543 175.900 -0.158 0.000 1.152 305 Y CA 2.785 60.513 58.100 -0.620 0.000 1.136 305 Y CB -1.264 36.858 38.460 -0.562 0.000 0.975 305 Y HN 0.825 nan 8.280 nan 0.000 0.498 306 K N 0.413 120.955 120.400 0.237 0.000 2.032 306 K HA -0.266 4.054 4.320 -0.000 0.000 0.209 306 K C 2.032 178.641 176.600 0.015 0.000 1.048 306 K CA 2.151 58.546 56.287 0.179 0.000 0.927 306 K CB -1.203 31.376 32.500 0.131 0.000 0.712 306 K HN 0.696 nan 8.250 nan 0.000 0.441 307 Q N -0.252 119.551 119.800 0.004 0.000 2.170 307 Q HA -0.045 4.295 4.340 -0.000 0.000 0.203 307 Q C 2.259 178.250 176.000 -0.015 0.000 0.976 307 Q CA 1.416 57.223 55.803 0.006 0.000 0.858 307 Q CB -0.217 28.537 28.738 0.027 0.000 0.907 307 Q HN 0.429 nan 8.270 nan 0.000 0.433 308 V N 0.425 120.304 119.914 -0.058 0.000 2.343 308 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 308 V C 2.077 178.127 176.094 -0.073 0.000 1.051 308 V CA 1.950 64.212 62.300 -0.064 0.000 1.036 308 V CB -0.576 31.203 31.823 -0.074 0.000 0.654 308 V HN 0.212 nan 8.190 nan 0.000 0.451 309 K N -0.718 119.598 120.400 -0.141 0.000 2.293 309 K HA -0.244 4.076 4.320 -0.000 0.000 0.204 309 K C 1.800 178.400 176.600 -0.001 0.000 1.045 309 K CA 1.485 57.733 56.287 -0.066 0.000 0.933 309 K CB -0.500 31.971 32.500 -0.048 0.000 0.736 309 K HN 0.646 nan 8.250 nan 0.000 0.463 310 Q N -0.399 119.406 119.800 0.008 0.000 2.188 310 Q HA 0.298 4.638 4.340 -0.000 0.000 0.212 310 Q C -0.085 175.942 176.000 0.046 0.000 0.846 310 Q CA 0.113 55.935 55.803 0.032 0.000 0.989 310 Q CB -0.016 28.741 28.738 0.032 0.000 1.114 310 Q HN 0.381 nan 8.270 nan 0.000 0.488 311 L N 1.272 122.521 121.223 0.042 0.000 2.480 311 L HA 0.190 4.530 4.340 -0.000 0.000 0.243 311 L C 1.431 178.353 176.870 0.086 0.000 1.315 311 L CA -0.024 54.857 54.840 0.067 0.000 1.231 311 L CB 0.043 42.136 42.059 0.056 0.000 1.444 311 L HN 0.184 nan 8.230 nan 0.000 0.409 312 K N 0.856 121.321 120.400 0.108 0.000 1.991 312 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 312 K C 1.942 178.628 176.600 0.143 0.000 1.045 312 K CA 1.353 57.705 56.287 0.108 0.000 0.937 312 K CB -0.105 32.461 32.500 0.109 0.000 0.720 312 K HN 0.335 nan 8.250 nan 0.000 0.438 313 Y N 1.727 122.056 120.300 0.048 0.000 2.193 313 Y HA -0.239 4.311 4.550 -0.000 0.000 0.285 313 Y C 2.012 177.954 175.900 0.070 0.000 1.166 313 Y CA 1.330 59.465 58.100 0.058 0.000 1.181 313 Y CB -0.240 38.260 38.460 0.065 0.000 0.976 313 Y HN -0.106 nan 8.280 nan 0.000 0.520 314 V N -0.619 119.359 119.914 0.106 0.000 2.295 314 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 314 V C 2.599 178.685 176.094 -0.015 0.000 1.049 314 V CA 2.017 64.348 62.300 0.051 0.000 1.024 314 V CB -1.493 30.390 31.823 0.099 0.000 0.648 314 V HN 0.576 nan 8.190 nan 0.000 0.447 315 G N -1.006 107.793 108.800 -0.003 0.000 2.462 315 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.220 315 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.220 315 G C 1.573 176.406 174.900 -0.112 0.000 1.121 315 G CA 1.038 46.125 45.100 -0.022 0.000 0.758 315 G HN 0.456 nan 8.290 nan 0.000 0.559 316 M N -0.265 119.232 119.600 -0.171 0.000 2.287 316 M HA 0.051 4.531 4.480 -0.000 0.000 0.266 316 M C 2.625 178.722 176.300 -0.339 0.000 1.079 316 M CA 0.473 55.605 55.300 -0.279 0.000 1.146 316 M CB -0.050 32.426 32.600 -0.206 0.000 1.374 316 M HN 0.069 nan 8.290 nan 0.000 0.435 317 V N 1.105 120.832 119.914 -0.310 0.000 2.392 317 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 317 V C 2.248 178.387 176.094 0.075 0.000 1.059 317 V CA 1.695 63.947 62.300 -0.079 0.000 1.051 317 V CB -0.582 31.259 31.823 0.031 0.000 0.658 317 V HN 0.446 nan 8.190 nan 0.000 0.455 318 L N -0.250 120.980 121.223 0.012 0.000 2.023 318 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 318 L C 2.485 179.376 176.870 0.034 0.000 1.073 318 L CA 1.455 56.344 54.840 0.082 0.000 0.745 318 L CB -0.745 41.364 42.059 0.083 0.000 0.900 318 L HN 0.345 nan 8.230 nan 0.000 0.435 319 N N 0.124 118.722 118.700 -0.170 0.000 2.104 319 N HA -0.245 4.495 4.740 -0.000 0.000 0.190 319 N C 1.787 177.087 175.510 -0.350 0.000 1.024 319 N CA 1.366 54.197 53.050 -0.364 0.000 0.853 319 N CB -0.211 37.544 38.487 -1.221 0.000 1.008 319 N HN 0.301 nan 8.380 nan 0.000 0.424 320 E N 0.638 120.610 120.200 -0.379 0.000 2.347 320 E HA 0.077 4.427 4.350 -0.000 0.000 0.196 320 E C 1.578 178.178 176.600 0.000 0.000 1.008 320 E CA 0.675 56.940 56.400 -0.224 0.000 0.852 320 E CB -0.063 29.310 29.700 -0.546 0.000 0.783 320 E HN 0.328 nan 8.360 nan 0.000 0.505 321 A N 0.158 123.131 122.820 0.255 0.000 1.898 321 A HA 0.010 4.329 4.320 -0.000 0.000 0.214 321 A C 2.103 179.843 177.584 0.260 0.000 1.183 321 A CA 0.693 53.002 52.037 0.453 0.000 0.622 321 A CB -0.458 18.868 19.000 0.542 0.000 0.824 321 A HN 0.327 nan 8.150 nan 0.000 0.444 322 L N -0.872 120.455 121.223 0.173 0.000 2.131 322 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 322 L C 2.794 179.710 176.870 0.076 0.000 1.092 322 L CA 1.552 56.447 54.840 0.092 0.000 0.759 322 L CB -0.411 41.692 42.059 0.073 0.000 0.903 322 L HN 0.472 nan 8.230 nan 0.000 0.435 323 R N 0.470 121.030 120.500 0.100 0.000 2.062 323 R HA -0.148 4.192 4.340 -0.000 0.000 0.231 323 R C 2.341 178.595 176.300 -0.077 0.000 1.136 323 R CA 1.397 57.456 56.100 -0.067 0.000 0.948 323 R CB -0.163 29.992 30.300 -0.242 0.000 0.845 323 R HN 0.261 nan 8.270 nan 0.000 0.430 324 L N -1.335 119.772 121.223 -0.193 0.000 2.072 324 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 324 L C 0.501 176.906 176.870 -0.775 0.000 1.079 324 L CA 1.023 55.585 54.840 -0.464 0.000 0.752 324 L CB -0.051 41.789 42.059 -0.366 0.000 0.906 324 L HN 0.255 nan 8.230 nan 0.000 0.436 325 W N 0.128 121.328 121.300 -0.166 0.000 2.291 325 W HA 0.290 4.950 4.660 -0.000 0.000 0.288 325 W C -2.350 173.961 176.519 -0.346 0.000 0.976 325 W CA -1.886 55.187 57.345 -0.453 0.000 1.744 325 W CB 0.644 29.333 29.460 -1.284 0.000 1.815 325 W HN -0.208 nan 8.180 nan 0.000 0.396 326 P HA 0.049 nan 4.420 nan 0.000 0.276 326 P C 1.091 178.401 177.300 0.017 0.000 1.253 326 P CA 0.392 63.478 63.100 -0.023 0.000 0.766 326 P CB 1.075 32.724 31.700 -0.084 0.000 0.845 327 T N 0.369 114.946 114.554 0.038 0.000 2.962 327 T HA 0.006 4.356 4.350 -0.000 0.000 0.270 327 T C 1.008 175.746 174.700 0.064 0.000 1.088 327 T CA 0.626 62.791 62.100 0.108 0.000 1.127 327 T CB -0.199 68.753 68.868 0.140 0.000 0.883 327 T HN 0.422 nan 8.240 nan 0.000 0.493 328 A N 3.094 125.924 122.820 0.017 0.000 2.801 328 A HA 0.561 4.881 4.320 -0.000 0.000 0.344 328 A C -1.631 175.988 177.584 0.057 0.000 1.322 328 A CA -1.600 50.466 52.037 0.048 0.000 0.913 328 A CB 0.712 19.738 19.000 0.043 0.000 1.140 328 A HN 0.235 nan 8.150 nan 0.000 0.487 329 P HA 0.254 nan 4.420 nan 0.000 0.249 329 P C 0.089 177.402 177.300 0.022 0.000 1.241 329 P CA 0.864 63.983 63.100 0.033 0.000 0.781 329 P CB 0.227 31.967 31.700 0.067 0.000 1.088 330 A N 0.169 123.033 122.820 0.072 0.000 2.577 330 A HA 0.657 4.977 4.320 -0.000 0.000 0.297 330 A C -1.419 176.244 177.584 0.132 0.000 1.060 330 A CA -0.644 51.411 52.037 0.031 0.000 0.697 330 A CB 0.762 19.775 19.000 0.021 0.000 1.281 330 A HN 0.091 nan 8.150 nan 0.000 0.402 331 F N -0.083 119.815 119.950 -0.086 0.000 2.613 331 F HA 0.882 5.409 4.527 -0.000 0.000 0.310 331 F C -0.303 175.403 175.800 -0.157 0.000 1.085 331 F CA -0.760 57.177 58.000 -0.105 0.000 0.945 331 F CB 1.535 40.491 39.000 -0.074 0.000 1.298 331 F HN 0.591 nan 8.300 nan 0.000 0.455 332 S N 2.288 118.000 115.700 0.020 0.000 2.537 332 S HA 0.903 5.373 4.470 -0.000 0.000 0.301 332 S C -1.098 173.500 174.600 -0.004 0.000 1.092 332 S CA -0.494 57.644 58.200 -0.104 0.000 1.048 332 S CB 1.021 64.150 63.200 -0.119 0.000 1.053 332 S HN 0.706 nan 8.310 nan 0.000 0.501 333 L N 3.028 124.227 121.223 -0.040 0.000 2.341 333 L HA 0.680 5.020 4.340 -0.000 0.000 0.254 333 L C -1.369 175.600 176.870 0.165 0.000 1.040 333 L CA -1.182 53.687 54.840 0.048 0.000 0.837 333 L CB 1.910 43.945 42.059 -0.040 0.000 1.425 333 L HN 0.824 nan 8.230 nan 0.000 0.414 334 Y N -0.385 119.999 120.300 0.140 0.000 2.512 334 Y HA 0.858 5.408 4.550 -0.000 0.000 0.348 334 Y C -0.320 175.709 175.900 0.215 0.000 0.990 334 Y CA -1.502 56.689 58.100 0.151 0.000 1.033 334 Y CB 1.434 39.961 38.460 0.112 0.000 1.259 334 Y HN 0.601 nan 8.280 nan 0.000 0.461 335 A N 3.746 126.715 122.820 0.249 0.000 2.491 335 A HA 0.213 4.533 4.320 -0.000 0.000 0.261 335 A C 0.647 178.195 177.584 -0.060 0.000 1.101 335 A CA -0.410 51.594 52.037 -0.055 0.000 0.772 335 A CB 0.083 19.079 19.000 -0.006 0.000 1.043 335 A HN 0.981 nan 8.150 nan 0.000 0.501 336 K N 0.843 121.070 120.400 -0.289 0.000 2.217 336 K HA -0.013 4.307 4.320 -0.000 0.000 0.202 336 K C 0.312 176.855 176.600 -0.095 0.000 1.051 336 K CA 1.040 57.234 56.287 -0.154 0.000 0.952 336 K CB 0.134 32.484 32.500 -0.249 0.000 0.736 336 K HN 0.745 nan 8.250 nan 0.000 0.453 337 E N 0.080 120.190 120.200 -0.150 0.000 2.449 337 E HA 0.131 4.481 4.350 -0.000 0.000 0.278 337 E C -1.484 175.052 176.600 -0.107 0.000 0.992 337 E CA -0.724 55.612 56.400 -0.105 0.000 0.807 337 E CB 1.265 30.899 29.700 -0.110 0.000 1.350 337 E HN -0.067 nan 8.360 nan 0.000 0.462 338 D N 0.950 121.311 120.400 -0.065 0.000 2.571 338 D HA 0.198 4.838 4.640 -0.000 0.000 0.231 338 D C -0.104 176.156 176.300 -0.067 0.000 1.133 338 D CA 1.180 55.152 54.000 -0.047 0.000 0.862 338 D CB 0.537 41.318 40.800 -0.030 0.000 1.179 338 D HN 0.198 nan 8.370 nan 0.000 0.474 339 T N 0.264 114.790 114.554 -0.047 0.000 2.786 339 T HA 0.404 4.754 4.350 -0.000 0.000 0.316 339 T C -1.549 173.162 174.700 0.019 0.000 1.503 339 T CA -0.658 61.411 62.100 -0.050 0.000 1.019 339 T CB 0.954 69.728 68.868 -0.157 0.000 1.415 339 T HN -0.006 nan 8.240 nan 0.000 0.496 340 V N 3.156 123.093 119.914 0.038 0.000 2.513 340 V HA 0.707 4.827 4.120 -0.000 0.000 0.299 340 V C -0.507 175.664 176.094 0.129 0.000 1.035 340 V CA -0.793 61.552 62.300 0.074 0.000 0.889 340 V CB 1.504 33.349 31.823 0.037 0.000 0.988 340 V HN 0.760 nan 8.190 nan 0.000 0.440 341 L N 3.901 125.234 121.223 0.182 0.000 2.313 341 L HA 0.793 5.133 4.340 -0.000 0.000 0.283 341 L C 0.937 177.945 176.870 0.231 0.000 1.013 341 L CA 1.070 56.042 54.840 0.220 0.000 0.816 341 L CB 1.333 43.529 42.059 0.228 0.000 1.236 341 L HN 0.933 nan 8.230 nan 0.000 0.419 342 G N 3.140 112.037 108.800 0.163 0.000 2.187 342 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.261 342 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.261 342 G C 0.966 175.909 174.900 0.071 0.000 1.000 342 G CA 0.508 45.693 45.100 0.141 0.000 0.718 342 G HN 1.870 nan 8.290 nan 0.000 0.519 343 G N -1.815 107.013 108.800 0.047 0.000 2.337 343 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.290 343 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.290 343 G C 0.571 175.415 174.900 -0.092 0.000 1.003 343 G CA 1.517 46.612 45.100 -0.009 0.000 0.825 343 G HN 1.449 nan 8.290 nan 0.000 0.509 344 E N -2.373 117.720 120.200 -0.177 0.000 2.489 344 E HA 0.255 4.605 4.350 -0.000 0.000 0.208 344 E C -0.119 176.111 176.600 -0.617 0.000 0.814 344 E CA 0.338 56.426 56.400 -0.520 0.000 1.348 344 E CB 0.348 29.489 29.700 -0.933 0.000 1.334 344 E HN 0.582 nan 8.360 nan 0.000 0.672 345 Y N 1.738 122.054 120.300 0.026 0.000 2.464 345 Y HA 0.496 5.046 4.550 -0.000 0.000 0.326 345 Y C -2.470 173.451 175.900 0.036 0.000 0.969 345 Y CA -3.325 54.793 58.100 0.029 0.000 1.270 345 Y CB 1.099 39.575 38.460 0.026 0.000 1.103 345 Y HN 0.106 nan 8.280 nan 0.000 0.491 346 P HA 0.314 nan 4.420 nan 0.000 0.274 346 P C -0.737 176.627 177.300 0.106 0.000 1.237 346 P CA -0.124 63.032 63.100 0.093 0.000 0.793 346 P CB 1.706 33.435 31.700 0.048 0.000 0.977 347 L N 0.089 121.364 121.223 0.085 0.000 2.472 347 L HA 0.445 4.785 4.340 -0.000 0.000 0.260 347 L C 0.323 177.222 176.870 0.049 0.000 0.963 347 L CA -0.791 54.099 54.840 0.085 0.000 0.829 347 L CB 2.439 44.575 42.059 0.130 0.000 1.348 347 L HN 0.280 nan 8.230 nan 0.000 0.408 348 E N 1.226 121.451 120.200 0.043 0.000 2.250 348 E HA 0.251 4.601 4.350 -0.000 0.000 0.265 348 E C -0.743 175.870 176.600 0.022 0.000 1.033 348 E CA -0.996 55.417 56.400 0.021 0.000 0.888 348 E CB 2.007 31.718 29.700 0.017 0.000 1.151 348 E HN 0.343 nan 8.360 nan 0.000 0.412 349 K N 0.277 120.679 120.400 0.004 0.000 2.511 349 K HA -0.095 4.225 4.320 -0.000 0.000 0.280 349 K C 0.651 177.271 176.600 0.033 0.000 1.008 349 K CA 1.293 57.586 56.287 0.010 0.000 1.050 349 K CB -0.107 32.385 32.500 -0.014 0.000 0.889 349 K HN 0.786 nan 8.250 nan 0.000 0.484 350 G N 3.278 112.137 108.800 0.099 0.000 2.179 350 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.260 350 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.260 350 G C -0.281 174.685 174.900 0.110 0.000 0.977 350 G CA 0.259 45.411 45.100 0.087 0.000 0.641 350 G HN 0.735 nan 8.290 nan 0.000 0.533 351 D N 1.712 122.181 120.400 0.114 0.000 2.424 351 D HA 0.414 5.053 4.640 -0.000 0.000 0.244 351 D C 0.842 177.221 176.300 0.131 0.000 1.134 351 D CA 0.354 54.411 54.000 0.096 0.000 0.881 351 D CB 0.613 41.465 40.800 0.086 0.000 1.191 351 D HN 0.585 nan 8.370 nan 0.000 0.445 352 E N 1.296 121.538 120.200 0.070 0.000 2.277 352 E HA 0.528 4.878 4.350 -0.000 0.000 0.274 352 E C -0.373 176.182 176.600 -0.074 0.000 1.022 352 E CA -0.637 55.783 56.400 0.033 0.000 0.853 352 E CB 1.376 31.072 29.700 -0.007 0.000 1.086 352 E HN 0.262 nan 8.360 nan 0.000 0.397 353 L N 2.019 123.156 121.223 -0.143 0.000 2.381 353 L HA 0.508 4.848 4.340 -0.000 0.000 0.268 353 L C -0.510 176.103 176.870 -0.429 0.000 0.997 353 L CA -0.875 53.781 54.840 -0.307 0.000 0.818 353 L CB 1.561 43.410 42.059 -0.350 0.000 1.310 353 L HN 0.355 nan 8.230 nan 0.000 0.416 354 M N 2.723 121.945 119.600 -0.629 0.000 2.243 354 M HA 0.384 4.863 4.480 -0.000 0.000 0.324 354 M C -0.773 175.167 176.300 -0.600 0.000 1.031 354 M CA -0.655 54.221 55.300 -0.706 0.000 0.949 354 M CB 2.188 34.039 32.600 -1.248 0.000 1.615 354 M HN 0.201 nan 8.290 nan 0.000 0.430 355 V N 5.040 124.566 119.914 -0.647 0.000 2.389 355 V HA 0.151 4.271 4.120 -0.000 0.000 0.264 355 V C -0.071 175.776 176.094 -0.412 0.000 1.049 355 V CA -0.571 61.341 62.300 -0.648 0.000 0.932 355 V CB 0.975 32.088 31.823 -1.183 0.000 1.011 355 V HN 0.590 nan 8.190 nan 0.000 0.475 356 L N 6.992 128.082 121.223 -0.221 0.000 2.328 356 L HA 0.414 4.754 4.340 -0.000 0.000 0.280 356 L C 0.975 177.742 176.870 -0.172 0.000 1.111 356 L CA 0.582 55.360 54.840 -0.104 0.000 0.909 356 L CB 0.314 42.380 42.059 0.013 0.000 1.277 356 L HN 0.572 nan 8.230 nan 0.000 0.433 357 I N 5.157 125.598 120.570 -0.215 0.000 2.179 357 I HA -0.138 4.032 4.170 -0.000 0.000 0.242 357 I C -0.526 175.298 176.117 -0.489 0.000 1.088 357 I CA 0.992 62.070 61.300 -0.371 0.000 1.357 357 I CB -1.211 36.581 38.000 -0.347 0.000 1.051 357 I HN 0.512 nan 8.210 nan 0.000 0.409 358 P HA -0.145 nan 4.420 nan 0.000 0.220 358 P C 1.495 178.666 177.300 -0.214 0.000 1.148 358 P CA 1.254 64.180 63.100 -0.290 0.000 0.803 358 P CB -0.077 31.487 31.700 -0.226 0.000 0.782 359 Q N -0.663 119.055 119.800 -0.137 0.000 2.083 359 Q HA -0.070 4.270 4.340 -0.000 0.000 0.198 359 Q C 2.183 178.168 176.000 -0.025 0.000 0.969 359 Q CA 0.771 56.535 55.803 -0.065 0.000 0.838 359 Q CB -1.270 27.458 28.738 -0.016 0.000 0.900 359 Q HN 0.213 nan 8.270 nan 0.000 0.436 360 L N 0.976 122.169 121.223 -0.050 0.000 1.978 360 L HA -0.237 4.103 4.340 -0.000 0.000 0.218 360 L C 1.887 178.894 176.870 0.228 0.000 1.075 360 L CA 2.037 56.911 54.840 0.058 0.000 0.767 360 L CB -0.928 41.129 42.059 -0.004 0.000 0.890 360 L HN 0.333 nan 8.230 nan 0.000 0.434 361 H N -1.157 117.935 119.070 0.036 0.000 2.566 361 H HA -0.027 4.529 4.556 -0.000 0.000 0.285 361 H C 1.027 176.193 175.328 -0.270 0.000 1.041 361 H CA 0.328 56.327 56.048 -0.081 0.000 1.207 361 H CB 0.015 29.656 29.762 -0.202 0.000 1.353 361 H HN 0.383 nan 8.280 nan 0.000 0.604 362 R N 0.438 120.951 120.500 0.021 0.000 2.577 362 R HA 0.018 4.358 4.340 -0.000 0.000 0.344 362 R C -0.373 175.999 176.300 0.121 0.000 1.037 362 R CA -0.216 55.870 56.100 -0.023 0.000 1.102 362 R CB 0.664 30.917 30.300 -0.078 0.000 1.313 362 R HN 0.091 nan 8.270 nan 0.000 0.561 363 D N 1.751 122.319 120.400 0.280 0.000 2.367 363 D HA 0.001 4.641 4.640 -0.000 0.000 0.255 363 D C 0.577 177.058 176.300 0.302 0.000 1.300 363 D CA 0.415 54.578 54.000 0.271 0.000 0.959 363 D CB 0.755 41.708 40.800 0.254 0.000 1.064 363 D HN 0.030 nan 8.370 nan 0.000 0.509 364 K N 0.984 121.486 120.400 0.171 0.000 2.074 364 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 364 K C 1.967 178.608 176.600 0.068 0.000 1.048 364 K CA 1.720 58.081 56.287 0.124 0.000 0.926 364 K CB -0.196 32.348 32.500 0.074 0.000 0.713 364 K HN 0.509 nan 8.250 nan 0.000 0.444 365 T N -0.389 114.189 114.554 0.041 0.000 2.996 365 T HA -0.105 4.245 4.350 -0.000 0.000 0.271 365 T C 1.563 176.220 174.700 -0.070 0.000 1.126 365 T CA 0.926 63.022 62.100 -0.006 0.000 1.103 365 T CB -0.110 68.759 68.868 0.001 0.000 0.870 365 T HN 0.032 nan 8.240 nan 0.000 0.528 366 I N -2.254 118.250 120.570 -0.111 0.000 3.883 366 I HA 0.294 4.464 4.170 -0.000 0.000 0.305 366 I C 1.177 176.976 176.117 -0.531 0.000 1.247 366 I CA 0.207 61.275 61.300 -0.386 0.000 1.350 366 I CB -0.458 37.201 38.000 -0.568 0.000 1.194 366 I HN 0.353 nan 8.210 nan 0.000 0.441 367 W N 1.617 122.885 121.300 -0.052 0.000 2.871 367 W HA 0.503 5.163 4.660 -0.000 0.000 0.340 367 W C 1.270 177.745 176.519 -0.075 0.000 1.058 367 W CA 0.543 57.839 57.345 -0.083 0.000 1.633 367 W CB 0.384 29.795 29.460 -0.081 0.000 1.067 367 W HN 0.157 nan 8.180 nan 0.000 0.554 368 G N 1.396 110.259 108.800 0.106 0.000 2.828 368 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.463 368 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.463 368 G C -0.128 174.816 174.900 0.074 0.000 1.394 368 G CA 0.015 45.152 45.100 0.062 0.000 0.862 368 G HN 0.078 nan 8.290 nan 0.000 0.540 369 D N 0.356 120.781 120.400 0.043 0.000 2.355 369 D HA 0.117 4.757 4.640 -0.000 0.000 0.218 369 D C 1.467 177.783 176.300 0.027 0.000 1.004 369 D CA 1.223 55.244 54.000 0.035 0.000 0.880 369 D CB 0.126 40.941 40.800 0.024 0.000 0.911 369 D HN 0.562 nan 8.370 nan 0.000 0.528 370 D N 0.357 120.771 120.400 0.023 0.000 3.072 370 D HA -0.048 4.592 4.640 -0.000 0.000 0.250 370 D C 1.684 177.974 176.300 -0.016 0.000 1.304 370 D CA -0.162 53.842 54.000 0.007 0.000 0.861 370 D CB -0.156 40.645 40.800 0.002 0.000 1.062 370 D HN 0.121 nan 8.370 nan 0.000 0.481 371 V N -1.277 118.629 119.914 -0.014 0.000 2.287 371 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 371 V C 1.865 177.886 176.094 -0.121 0.000 1.053 371 V CA 1.238 63.493 62.300 -0.075 0.000 1.027 371 V CB -0.660 31.134 31.823 -0.049 0.000 0.646 371 V HN 0.092 nan 8.190 nan 0.000 0.447 372 E N 0.757 120.918 120.200 -0.065 0.000 2.455 372 E HA -0.079 4.271 4.350 -0.000 0.000 0.202 372 E C 0.965 177.560 176.600 -0.009 0.000 1.045 372 E CA 0.496 56.874 56.400 -0.037 0.000 0.872 372 E CB -0.260 29.451 29.700 0.018 0.000 0.792 372 E HN 0.819 nan 8.360 nan 0.000 0.542 373 E N -0.015 120.164 120.200 -0.034 0.000 2.313 373 E HA 0.094 4.444 4.350 -0.000 0.000 0.276 373 E C -0.859 175.699 176.600 -0.071 0.000 1.031 373 E CA -0.446 55.948 56.400 -0.009 0.000 0.857 373 E CB 0.547 30.240 29.700 -0.012 0.000 1.040 373 E HN -0.111 nan 8.360 nan 0.000 0.408 374 F N 4.427 124.278 119.950 -0.165 0.000 2.404 374 F HA 0.249 4.776 4.527 -0.000 0.000 0.359 374 F C -0.018 175.701 175.800 -0.136 0.000 1.134 374 F CA -0.158 57.668 58.000 -0.290 0.000 1.160 374 F CB 0.268 39.006 39.000 -0.438 0.000 1.186 374 F HN 0.292 nan 8.300 nan 0.000 0.526 375 R N 7.576 127.698 120.500 -0.631 0.000 2.855 375 R HA 0.277 4.617 4.340 -0.000 0.000 0.261 375 R C -2.388 173.694 176.300 -0.362 0.000 1.826 375 R CA -1.384 54.514 56.100 -0.336 0.000 1.435 375 R CB 0.843 31.047 30.300 -0.161 0.000 1.383 375 R HN 0.301 nan 8.270 nan 0.000 0.583 376 P HA -0.156 nan 4.420 nan 0.000 0.220 376 P C 0.231 177.514 177.300 -0.029 0.000 1.144 376 P CA 1.119 64.031 63.100 -0.314 0.000 0.800 376 P CB 0.407 31.827 31.700 -0.467 0.000 0.772 377 E N -0.653 119.559 120.200 0.020 0.000 2.265 377 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 377 E C 1.816 178.415 176.600 -0.002 0.000 0.996 377 E CA 0.566 57.011 56.400 0.077 0.000 0.832 377 E CB -0.616 29.141 29.700 0.095 0.000 0.756 377 E HN 0.212 nan 8.360 nan 0.000 0.491 378 R N -0.510 119.933 120.500 -0.097 0.000 2.257 378 R HA -0.214 4.126 4.340 -0.000 0.000 0.265 378 R C 0.866 176.909 176.300 -0.429 0.000 1.191 378 R CA 1.379 57.316 56.100 -0.273 0.000 1.010 378 R CB -0.419 29.622 30.300 -0.430 0.000 0.883 378 R HN 0.249 nan 8.270 nan 0.000 0.473 379 F N -0.259 119.643 119.950 -0.079 0.000 2.641 379 F HA 0.138 4.665 4.527 -0.000 0.000 0.302 379 F C 1.564 177.337 175.800 -0.045 0.000 1.098 379 F CA -0.249 57.695 58.000 -0.094 0.000 1.318 379 F CB 0.346 39.251 39.000 -0.157 0.000 1.035 379 F HN -0.052 nan 8.300 nan 0.000 0.551 380 E N 0.561 120.801 120.200 0.067 0.000 2.070 380 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 380 E C 0.757 177.379 176.600 0.036 0.000 1.004 380 E CA 1.248 57.684 56.400 0.059 0.000 0.805 380 E CB -0.061 29.662 29.700 0.038 0.000 0.744 380 E HN 0.092 nan 8.360 nan 0.000 0.451 381 N N -0.450 118.249 118.700 -0.001 0.000 2.790 381 N HA 0.104 4.844 4.740 -0.000 0.000 0.256 381 N C -2.296 173.197 175.510 -0.030 0.000 1.409 381 N CA -1.829 51.215 53.050 -0.010 0.000 0.799 381 N CB 0.910 39.383 38.487 -0.024 0.000 1.170 381 N HN -0.192 nan 8.380 nan 0.000 0.507 382 P HA -0.104 nan 4.420 nan 0.000 0.223 382 P C 0.499 177.790 177.300 -0.015 0.000 1.140 382 P CA 0.949 64.057 63.100 0.013 0.000 0.783 382 P CB 0.378 32.122 31.700 0.073 0.000 0.759 383 S N -0.746 114.941 115.700 -0.022 0.000 2.528 383 S HA 0.181 4.651 4.470 -0.000 0.000 0.219 383 S C 1.884 176.451 174.600 -0.056 0.000 0.985 383 S CA 0.479 58.663 58.200 -0.028 0.000 0.914 383 S CB -0.236 62.955 63.200 -0.014 0.000 0.776 383 S HN 0.205 nan 8.310 nan 0.000 0.526 384 A N 0.982 123.755 122.820 -0.079 0.000 2.206 384 A HA 0.219 4.539 4.320 -0.000 0.000 0.211 384 A C 0.509 177.992 177.584 -0.168 0.000 1.158 384 A CA 0.250 52.221 52.037 -0.111 0.000 0.761 384 A CB -0.203 18.729 19.000 -0.113 0.000 0.801 384 A HN 0.303 nan 8.150 nan 0.000 0.473 385 I N 2.447 122.914 120.570 -0.170 0.000 2.363 385 I HA 0.201 4.371 4.170 -0.000 0.000 0.292 385 I C -2.139 173.889 176.117 -0.149 0.000 1.075 385 I CA -2.956 58.210 61.300 -0.223 0.000 1.333 385 I CB 0.161 38.059 38.000 -0.170 0.000 1.415 385 I HN 0.098 nan 8.210 nan 0.000 0.502 386 P HA 0.087 nan 4.420 nan 0.000 0.275 386 P C -0.216 177.041 177.300 -0.072 0.000 1.227 386 P CA -0.539 62.493 63.100 -0.114 0.000 0.781 386 P CB 0.563 32.189 31.700 -0.123 0.000 0.906 387 Q N 1.672 121.419 119.800 -0.087 0.000 2.368 387 Q HA -0.173 4.167 4.340 -0.000 0.000 0.331 387 Q C -0.179 175.790 176.000 -0.052 0.000 1.086 387 Q CA 0.944 56.640 55.803 -0.179 0.000 1.031 387 Q CB -0.496 28.067 28.738 -0.293 0.000 1.125 387 Q HN 0.603 nan 8.270 nan 0.000 0.389 388 H N 0.128 119.274 119.070 0.128 0.000 3.151 388 H HA -0.241 4.314 4.556 -0.000 0.000 0.230 388 H C 0.503 175.934 175.328 0.172 0.000 1.186 388 H CA 0.313 56.450 56.048 0.148 0.000 1.124 388 H CB -1.488 28.336 29.762 0.103 0.000 1.208 388 H HN 0.647 nan 8.280 nan 0.000 0.318 389 A N 0.097 123.076 122.820 0.265 0.000 2.030 389 A HA 0.215 4.534 4.320 -0.000 0.000 0.215 389 A C 0.439 178.390 177.584 0.611 0.000 1.164 389 A CA 0.711 52.933 52.037 0.307 0.000 0.697 389 A CB 0.330 19.348 19.000 0.029 0.000 0.827 389 A HN 0.237 nan 8.150 nan 0.000 0.457 390 F N 0.799 120.989 119.950 0.401 0.000 2.445 390 F HA 0.503 5.030 4.527 -0.000 0.000 0.348 390 F C -0.113 175.962 175.800 0.459 0.000 1.125 390 F CA -1.126 57.142 58.000 0.446 0.000 0.983 390 F CB 1.322 40.546 39.000 0.373 0.000 1.198 390 F HN -0.088 nan 8.300 nan 0.000 0.436 391 K N 7.363 127.946 120.400 0.304 0.000 3.320 391 K HA 0.186 4.506 4.320 -0.000 0.000 0.194 391 K C -2.294 174.315 176.600 0.015 0.000 1.085 391 K CA -1.035 55.365 56.287 0.188 0.000 0.901 391 K CB 1.046 33.740 32.500 0.323 0.000 0.765 391 K HN 0.333 nan 8.250 nan 0.000 0.480 392 P HA -0.086 nan 4.420 nan 0.000 0.223 392 P C 0.440 177.425 177.300 -0.524 0.000 1.151 392 P CA 0.867 63.718 63.100 -0.415 0.000 0.787 392 P CB 0.047 31.332 31.700 -0.692 0.000 0.788 393 F N -0.110 119.813 119.950 -0.044 0.000 2.647 393 F HA 0.444 4.971 4.527 -0.000 0.000 0.300 393 F C 1.742 177.466 175.800 -0.126 0.000 1.106 393 F CA 0.407 58.383 58.000 -0.040 0.000 1.313 393 F CB -0.209 38.795 39.000 0.006 0.000 1.007 393 F HN 0.046 nan 8.300 nan 0.000 0.536 394 G N 1.446 110.167 108.800 -0.133 0.000 2.584 394 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.229 394 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.229 394 G C -1.004 173.705 174.900 -0.318 0.000 1.320 394 G CA -0.358 44.360 45.100 -0.636 0.000 0.891 394 G HN 0.503 nan 8.290 nan 0.000 0.573 395 N N -0.419 118.041 118.700 -0.401 0.000 2.242 395 N HA 0.670 5.409 4.740 -0.000 0.000 0.292 395 N C 0.759 176.253 175.510 -0.026 0.000 1.125 395 N CA 1.462 54.462 53.050 -0.084 0.000 0.783 395 N CB 1.545 40.030 38.487 -0.004 0.000 1.558 395 N HN 2.419 nan 8.380 nan 0.000 0.472 396 G N 1.721 110.564 108.800 0.071 0.000 2.582 396 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.288 396 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.288 396 G C 0.524 175.462 174.900 0.064 0.000 1.247 396 G CA 0.747 45.891 45.100 0.073 0.000 0.972 396 G HN 0.859 nan 8.290 nan 0.000 0.557 397 Q N 0.317 120.147 119.800 0.050 0.000 2.515 397 Q HA 0.101 4.440 4.340 -0.000 0.000 0.212 397 Q C 1.390 177.420 176.000 0.051 0.000 0.970 397 Q CA 1.097 56.945 55.803 0.076 0.000 0.941 397 Q CB 0.127 28.920 28.738 0.090 0.000 0.998 397 Q HN 0.504 nan 8.270 nan 0.000 0.518 398 R N 0.133 120.620 120.500 -0.022 0.000 2.600 398 R HA 0.389 4.728 4.340 -0.000 0.000 0.392 398 R C -0.050 176.228 176.300 -0.038 0.000 1.032 398 R CA 0.326 56.401 56.100 -0.042 0.000 1.139 398 R CB 0.646 30.833 30.300 -0.188 0.000 1.400 398 R HN 0.220 nan 8.270 nan 0.000 0.566 399 A N 0.891 123.707 122.820 -0.006 0.000 2.492 399 A HA -0.031 4.289 4.320 -0.000 0.000 0.236 399 A C 0.632 178.262 177.584 0.076 0.000 1.078 399 A CA -0.109 51.934 52.037 0.010 0.000 0.773 399 A CB 0.194 19.232 19.000 0.063 0.000 1.023 399 A HN 0.522 nan 8.150 nan 0.000 0.504 400 C N 3.619 122.983 119.300 0.107 0.000 2.551 400 C HA 0.010 4.470 4.460 -0.000 0.000 0.400 400 C C 1.777 176.781 174.990 0.024 0.000 1.460 400 C CA 0.326 59.417 59.018 0.123 0.000 1.447 400 C CB -2.453 25.473 27.740 0.310 0.000 2.401 400 C HN 0.774 nan 8.230 nan 0.000 0.623 401 I N 4.586 125.142 120.570 -0.024 0.000 2.315 401 I HA -0.093 4.077 4.170 -0.000 0.000 0.251 401 I C 2.140 177.965 176.117 -0.488 0.000 1.125 401 I CA 2.018 63.200 61.300 -0.197 0.000 1.392 401 I CB -0.030 37.849 38.000 -0.202 0.000 1.065 401 I HN 0.923 nan 8.210 nan 0.000 0.424 402 G N -0.761 107.776 108.800 -0.438 0.000 3.042 402 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.212 402 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.212 402 G C 1.242 176.136 174.900 -0.010 0.000 1.166 402 G CA 0.138 45.038 45.100 -0.334 0.000 0.767 402 G HN 0.442 nan 8.290 nan 0.000 0.546 403 Q N -0.030 119.686 119.800 -0.140 0.000 2.065 403 Q HA -0.299 4.041 4.340 -0.000 0.000 0.213 403 Q C 2.344 178.199 176.000 -0.242 0.000 1.012 403 Q CA 2.020 57.520 55.803 -0.505 0.000 0.876 403 Q CB -0.048 28.219 28.738 -0.784 0.000 0.954 403 Q HN 0.326 nan 8.270 nan 0.000 0.413 404 Q N -0.749 119.030 119.800 -0.035 0.000 2.224 404 Q HA -0.108 4.231 4.340 -0.000 0.000 0.203 404 Q C 1.703 177.844 176.000 0.235 0.000 0.970 404 Q CA 1.035 56.892 55.803 0.090 0.000 0.865 404 Q CB -0.341 28.473 28.738 0.127 0.000 0.922 404 Q HN 0.460 nan 8.270 nan 0.000 0.445 405 F N 0.894 120.947 119.950 0.171 0.000 2.128 405 F HA -0.047 4.480 4.527 -0.000 0.000 0.295 405 F C 2.072 177.990 175.800 0.197 0.000 1.100 405 F CA 1.257 59.401 58.000 0.240 0.000 1.260 405 F CB -0.405 38.764 39.000 0.282 0.000 1.009 405 F HN 0.036 nan 8.300 nan 0.000 0.476 406 A N 0.588 123.691 122.820 0.472 0.000 1.902 406 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 406 A C 2.312 180.045 177.584 0.248 0.000 1.181 406 A CA 1.922 54.183 52.037 0.373 0.000 0.623 406 A CB -1.137 18.093 19.000 0.384 0.000 0.818 406 A HN 0.503 nan 8.150 nan 0.000 0.443 407 L N -2.186 119.161 121.223 0.206 0.000 2.068 407 L HA -0.106 4.234 4.340 -0.000 0.000 0.204 407 L C 2.619 179.562 176.870 0.123 0.000 1.076 407 L CA 1.494 56.431 54.840 0.162 0.000 0.753 407 L CB -0.695 41.433 42.059 0.116 0.000 0.910 407 L HN 0.581 nan 8.230 nan 0.000 0.439 408 H N 0.462 119.554 119.070 0.036 0.000 2.289 408 H HA -0.280 4.276 4.556 -0.000 0.000 0.294 408 H C 2.204 177.523 175.328 -0.014 0.000 1.095 408 H CA 2.401 58.444 56.048 -0.009 0.000 1.256 408 H CB 0.042 29.797 29.762 -0.012 0.000 1.359 408 H HN 0.282 nan 8.280 nan 0.000 0.487 409 E N -0.511 119.621 120.200 -0.113 0.000 2.077 409 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 409 E C 2.288 178.855 176.600 -0.055 0.000 0.989 409 E CA 0.934 57.258 56.400 -0.127 0.000 0.800 409 E CB -0.274 29.409 29.700 -0.029 0.000 0.746 409 E HN 0.594 nan 8.360 nan 0.000 0.452 410 A N 0.048 122.885 122.820 0.028 0.000 1.972 410 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 410 A C 2.293 179.893 177.584 0.027 0.000 1.169 410 A CA 1.877 53.950 52.037 0.060 0.000 0.635 410 A CB -0.599 18.472 19.000 0.120 0.000 0.810 410 A HN 0.298 nan 8.150 nan 0.000 0.446 411 T N -0.033 114.512 114.554 -0.014 0.000 2.809 411 T HA -0.050 4.299 4.350 -0.000 0.000 0.260 411 T C 1.816 176.490 174.700 -0.045 0.000 1.039 411 T CA 1.084 63.175 62.100 -0.015 0.000 1.141 411 T CB -0.394 68.464 68.868 -0.017 0.000 0.869 411 T HN 0.282 nan 8.240 nan 0.000 0.437 412 L N 1.811 122.948 121.223 -0.143 0.000 2.011 412 L HA -0.162 4.178 4.340 -0.000 0.000 0.225 412 L C 2.361 179.203 176.870 -0.047 0.000 1.084 412 L CA 1.966 56.725 54.840 -0.134 0.000 0.791 412 L CB -1.100 40.803 42.059 -0.261 0.000 0.898 412 L HN 0.128 nan 8.230 nan 0.000 0.440 413 V N -1.175 118.714 119.914 -0.041 0.000 2.488 413 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 413 V C 2.372 178.493 176.094 0.046 0.000 1.046 413 V CA 1.262 63.553 62.300 -0.014 0.000 1.053 413 V CB -0.440 31.368 31.823 -0.024 0.000 0.679 413 V HN 0.483 nan 8.190 nan 0.000 0.458 414 L N 1.452 122.711 121.223 0.060 0.000 2.056 414 L HA 0.050 4.390 4.340 -0.000 0.000 0.207 414 L C 2.354 179.307 176.870 0.139 0.000 1.078 414 L CA 2.296 57.200 54.840 0.107 0.000 0.749 414 L CB -1.397 40.724 42.059 0.103 0.000 0.901 414 L HN 0.272 nan 8.230 nan 0.000 0.433 415 G N -0.506 108.356 108.800 0.104 0.000 2.491 415 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.218 415 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.218 415 G C 1.560 176.543 174.900 0.139 0.000 1.180 415 G CA 1.283 46.449 45.100 0.110 0.000 0.774 415 G HN 0.412 nan 8.290 nan 0.000 0.562 416 M N -0.353 119.331 119.600 0.140 0.000 2.108 416 M HA -0.013 4.466 4.480 -0.000 0.000 0.261 416 M C 2.791 179.292 176.300 0.334 0.000 1.066 416 M CA 1.477 56.911 55.300 0.224 0.000 1.107 416 M CB -0.382 32.312 32.600 0.157 0.000 1.356 416 M HN 0.211 nan 8.290 nan 0.000 0.406 417 M N 0.071 119.871 119.600 0.334 0.000 2.108 417 M HA -0.231 4.249 4.480 -0.000 0.000 0.261 417 M C 2.065 178.805 176.300 0.732 0.000 1.066 417 M CA 1.661 57.326 55.300 0.607 0.000 1.107 417 M CB -0.413 32.514 32.600 0.545 0.000 1.356 417 M HN 0.277 nan 8.290 nan 0.000 0.406 418 L N -0.638 120.881 121.223 0.493 0.000 2.072 418 L HA -0.185 4.155 4.340 -0.000 0.000 0.205 418 L C 2.539 179.540 176.870 0.218 0.000 1.079 418 L CA 1.119 56.208 54.840 0.415 0.000 0.752 418 L CB -0.664 41.568 42.059 0.288 0.000 0.906 418 L HN 0.297 nan 8.230 nan 0.000 0.436 419 K N -0.573 119.894 120.400 0.111 0.000 2.032 419 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 419 K C 2.077 178.519 176.600 -0.263 0.000 1.048 419 K CA 1.478 57.706 56.287 -0.098 0.000 0.927 419 K CB -0.011 32.377 32.500 -0.185 0.000 0.712 419 K HN 0.409 nan 8.250 nan 0.000 0.441 420 H N -1.809 117.195 119.070 -0.111 0.000 2.547 420 H HA 0.114 4.669 4.556 -0.000 0.000 0.272 420 H C -0.060 174.792 175.328 -0.793 0.000 0.971 420 H CA 0.526 56.281 56.048 -0.488 0.000 1.245 420 H CB 0.402 29.766 29.762 -0.663 0.000 1.440 420 H HN 0.017 nan 8.280 nan 0.000 0.540 421 F N 0.127 120.068 119.950 -0.016 0.000 2.620 421 F HA 0.328 4.855 4.527 -0.000 0.000 0.320 421 F C -0.067 175.495 175.800 -0.397 0.000 1.069 421 F CA -1.220 56.602 58.000 -0.296 0.000 0.953 421 F CB 1.594 40.232 39.000 -0.604 0.000 1.322 421 F HN -0.255 nan 8.300 nan 0.000 0.479 422 D N 0.843 121.129 120.400 -0.190 0.000 2.185 422 D HA 0.412 5.052 4.640 -0.000 0.000 0.247 422 D C -1.163 174.960 176.300 -0.296 0.000 1.027 422 D CA -0.069 53.843 54.000 -0.146 0.000 0.861 422 D CB 1.910 42.692 40.800 -0.029 0.000 1.202 422 D HN 0.149 nan 8.370 nan 0.000 0.453 423 F N 0.656 120.661 119.950 0.093 0.000 2.480 423 F HA 0.312 4.839 4.527 -0.000 0.000 0.329 423 F C 0.815 176.633 175.800 0.030 0.000 1.091 423 F CA -0.744 57.279 58.000 0.038 0.000 0.972 423 F CB 1.790 40.819 39.000 0.048 0.000 1.150 423 F HN 0.069 nan 8.300 nan 0.000 0.467 424 E N 1.334 121.649 120.200 0.191 0.000 2.218 424 E HA 0.107 4.457 4.350 -0.000 0.000 0.263 424 E C -1.326 175.397 176.600 0.204 0.000 0.879 424 E CA -0.580 55.910 56.400 0.150 0.000 0.762 424 E CB 1.344 31.098 29.700 0.090 0.000 1.166 424 E HN 0.602 nan 8.360 nan 0.000 0.415 425 D N 2.877 123.377 120.400 0.168 0.000 3.032 425 D HA -0.020 4.620 4.640 -0.000 0.000 0.241 425 D C 1.145 177.491 176.300 0.077 0.000 1.196 425 D CA 0.124 54.210 54.000 0.143 0.000 0.927 425 D CB -0.369 40.502 40.800 0.118 0.000 1.129 425 D HN 0.608 nan 8.370 nan 0.000 0.458 426 H N -2.038 117.041 119.070 0.015 0.000 2.538 426 H HA -0.157 4.399 4.556 -0.000 0.000 0.294 426 H C 1.228 176.554 175.328 -0.004 0.000 1.083 426 H CA 1.717 57.762 56.048 -0.006 0.000 1.233 426 H CB -0.247 29.493 29.762 -0.037 0.000 1.360 426 H HN 0.191 nan 8.280 nan 0.000 0.571 427 T N -3.786 110.497 114.554 -0.452 0.000 3.044 427 T HA 0.047 4.397 4.350 -0.000 0.000 0.260 427 T C 0.600 175.245 174.700 -0.091 0.000 1.019 427 T CA -0.072 61.839 62.100 -0.315 0.000 0.921 427 T CB -0.095 68.533 68.868 -0.399 0.000 1.053 427 T HN 0.417 nan 8.240 nan 0.000 0.533 428 N N 1.745 120.425 118.700 -0.033 0.000 2.614 428 N HA -0.218 4.522 4.740 -0.000 0.000 0.276 428 N C -0.755 174.782 175.510 0.045 0.000 1.119 428 N CA 0.148 53.209 53.050 0.019 0.000 0.742 428 N CB -1.864 36.623 38.487 0.001 0.000 0.900 428 N HN 0.767 nan 8.380 nan 0.000 0.549 429 Y N 1.059 121.352 120.300 -0.010 0.000 2.496 429 Y HA 0.256 4.806 4.550 -0.000 0.000 0.334 429 Y C 0.622 176.552 175.900 0.050 0.000 1.080 429 Y CA -0.618 57.497 58.100 0.026 0.000 1.355 429 Y CB 0.544 39.079 38.460 0.126 0.000 1.193 429 Y HN 0.352 nan 8.280 nan 0.000 0.523 430 E N 6.730 126.553 120.200 -0.628 0.000 1.996 430 E HA 0.213 4.563 4.350 -0.000 0.000 0.280 430 E C -1.107 174.850 176.600 -1.072 0.000 1.092 430 E CA -0.705 55.340 56.400 -0.592 0.000 0.862 430 E CB 0.057 29.577 29.700 -0.300 0.000 1.066 430 E HN 0.731 nan 8.360 nan 0.000 0.396 431 L N 4.655 125.325 121.223 -0.923 0.000 2.640 431 L HA 0.098 4.438 4.340 -0.000 0.000 0.280 431 L C -0.840 175.723 176.870 -0.512 0.000 1.229 431 L CA 1.065 55.393 54.840 -0.854 0.000 0.919 431 L CB 0.377 41.992 42.059 -0.740 0.000 1.168 431 L HN 0.568 nan 8.230 nan 0.000 0.496 432 D N 5.542 125.718 120.400 -0.375 0.000 2.479 432 D HA 0.300 4.940 4.640 -0.000 0.000 0.246 432 D C -0.913 175.258 176.300 -0.214 0.000 1.336 432 D CA -0.227 53.637 54.000 -0.226 0.000 0.967 432 D CB 0.559 41.283 40.800 -0.126 0.000 1.275 432 D HN 0.509 nan 8.370 nan 0.000 0.577 433 I N 3.613 124.027 120.570 -0.259 0.000 2.304 433 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 433 I C 0.641 176.664 176.117 -0.157 0.000 1.018 433 I CA -0.693 60.450 61.300 -0.262 0.000 1.260 433 I CB 1.025 38.778 38.000 -0.411 0.000 1.390 433 I HN 0.178 nan 8.210 nan 0.000 0.475 434 K N 7.436 127.763 120.400 -0.123 0.000 2.205 434 K HA 0.356 4.676 4.320 -0.000 0.000 0.279 434 K C -0.642 175.929 176.600 -0.048 0.000 1.027 434 K CA -0.380 55.862 56.287 -0.074 0.000 0.932 434 K CB 0.941 33.402 32.500 -0.065 0.000 1.032 434 K HN 0.544 nan 8.250 nan 0.000 0.466 435 E N 2.266 122.451 120.200 -0.025 0.000 2.187 435 E HA 0.148 4.498 4.350 -0.000 0.000 0.268 435 E C -0.850 175.759 176.600 0.014 0.000 0.896 435 E CA -0.739 55.663 56.400 0.003 0.000 0.766 435 E CB 1.905 31.609 29.700 0.008 0.000 1.142 435 E HN 0.701 nan 8.360 nan 0.000 0.408 436 T N 0.843 115.416 114.554 0.031 0.000 3.741 436 T HA 0.291 4.641 4.350 -0.000 0.000 0.242 436 T C 0.771 175.516 174.700 0.074 0.000 1.042 436 T CA -0.406 61.722 62.100 0.048 0.000 1.278 436 T CB -0.557 68.338 68.868 0.045 0.000 0.994 436 T HN 0.624 nan 8.240 nan 0.000 0.594 437 L N -1.062 120.207 121.223 0.076 0.000 4.733 437 L HA -0.233 4.107 4.340 -0.000 0.000 0.388 437 L C 0.863 177.788 176.870 0.093 0.000 0.773 437 L CA 1.772 56.671 54.840 0.098 0.000 2.353 437 L CB -2.572 39.569 42.059 0.136 0.000 1.139 437 L HN 0.803 nan 8.230 nan 0.000 0.635 438 T N -1.272 113.326 114.554 0.074 0.000 2.942 438 T HA 0.769 5.119 4.350 -0.000 0.000 0.289 438 T C -0.374 174.367 174.700 0.069 0.000 1.044 438 T CA -0.903 61.237 62.100 0.066 0.000 1.023 438 T CB 2.462 71.353 68.868 0.038 0.000 1.123 438 T HN 0.183 nan 8.240 nan 0.000 0.512 439 L N 0.562 121.854 121.223 0.114 0.000 2.334 439 L HA 0.860 5.200 4.340 -0.000 0.000 0.275 439 L C 0.247 177.225 176.870 0.180 0.000 1.036 439 L CA -1.064 53.872 54.840 0.160 0.000 0.807 439 L CB 1.154 43.356 42.059 0.238 0.000 1.231 439 L HN 1.086 nan 8.230 nan 0.000 0.438 440 K N 2.224 122.622 120.400 -0.003 0.000 2.543 440 K HA 0.615 4.935 4.320 -0.000 0.000 0.255 440 K C -3.022 173.262 176.600 -0.526 0.000 0.934 440 K CA -1.556 54.550 56.287 -0.302 0.000 0.810 440 K CB 1.383 33.779 32.500 -0.173 0.000 1.315 440 K HN 0.310 nan 8.250 nan 0.000 0.433 441 P HA 0.081 nan 4.420 nan 0.000 0.263 441 P C -0.653 176.498 177.300 -0.249 0.000 1.247 441 P CA 0.131 62.854 63.100 -0.628 0.000 0.876 441 P CB 0.368 31.624 31.700 -0.740 0.000 0.928 442 E N 3.060 123.175 120.200 -0.143 0.000 2.289 442 E HA 0.353 4.703 4.350 -0.000 0.000 0.278 442 E C 1.055 177.675 176.600 0.034 0.000 1.032 442 E CA -0.191 56.174 56.400 -0.058 0.000 0.854 442 E CB -0.102 29.565 29.700 -0.055 0.000 1.046 442 E HN 0.635 nan 8.360 nan 0.000 0.409 443 G N 4.114 112.912 108.800 -0.003 0.000 2.168 443 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.263 443 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.263 443 G C -0.028 174.781 174.900 -0.151 0.000 0.977 443 G CA 0.181 45.281 45.100 -0.001 0.000 0.659 443 G HN 0.576 nan 8.290 nan 0.000 0.533 444 F N 2.115 121.726 119.950 -0.564 0.000 2.571 444 F HA 0.429 4.956 4.527 -0.000 0.000 0.390 444 F C 0.669 176.146 175.800 -0.538 0.000 1.043 444 F CA -0.419 56.968 58.000 -1.022 0.000 1.164 444 F CB 0.351 38.902 39.000 -0.749 0.000 1.049 444 F HN 0.622 nan 8.300 nan 0.000 0.552 445 V N 6.095 125.633 119.914 -0.626 0.000 2.876 445 V HA 0.893 5.013 4.120 -0.000 0.000 0.312 445 V C -0.834 175.047 176.094 -0.354 0.000 1.085 445 V CA -0.554 61.486 62.300 -0.433 0.000 0.945 445 V CB 1.026 32.735 31.823 -0.190 0.000 1.017 445 V HN 0.910 nan 8.190 nan 0.000 0.428 446 V N 0.688 120.460 119.914 -0.237 0.000 3.159 446 V HA 0.715 4.835 4.120 -0.000 0.000 0.308 446 V C -0.801 175.208 176.094 -0.141 0.000 1.190 446 V CA -1.017 61.254 62.300 -0.048 0.000 1.037 446 V CB 2.316 34.032 31.823 -0.179 0.000 1.060 446 V HN 1.010 nan 8.190 nan 0.000 0.437 447 K N 1.780 122.100 120.400 -0.134 0.000 2.183 447 K HA 0.820 5.139 4.320 -0.000 0.000 0.274 447 K C -0.350 176.136 176.600 -0.190 0.000 1.009 447 K CA -0.088 56.039 56.287 -0.267 0.000 0.888 447 K CB 1.800 34.122 32.500 -0.298 0.000 1.078 447 K HN 1.131 nan 8.250 nan 0.000 0.459 448 A N 1.771 124.393 122.820 -0.330 0.000 2.330 448 A HA 0.358 4.678 4.320 -0.000 0.000 0.327 448 A C -0.896 176.576 177.584 -0.186 0.000 1.155 448 A CA -0.678 51.113 52.037 -0.410 0.000 0.803 448 A CB 1.305 19.808 19.000 -0.830 0.000 1.208 448 A HN 0.370 nan 8.150 nan 0.000 0.477 449 K N 2.105 122.456 120.400 -0.081 0.000 2.339 449 K HA 0.495 4.815 4.320 -0.000 0.000 0.264 449 K C 0.062 176.727 176.600 0.109 0.000 0.986 449 K CA -0.093 56.200 56.287 0.010 0.000 0.866 449 K CB 1.150 33.634 32.500 -0.027 0.000 1.103 449 K HN 1.137 nan 8.250 nan 0.000 0.441 450 S N 3.148 118.944 115.700 0.160 0.000 2.549 450 S HA 0.115 4.585 4.470 -0.000 0.000 0.286 450 S C 0.840 175.399 174.600 -0.068 0.000 1.314 450 S CA 0.170 58.394 58.200 0.041 0.000 1.062 450 S CB 0.346 63.569 63.200 0.038 0.000 0.865 450 S HN 0.729 nan 8.310 nan 0.000 0.498 451 K N 2.631 122.929 120.400 -0.170 0.000 2.525 451 K HA 0.070 4.390 4.320 -0.000 0.000 0.192 451 K C 0.063 176.600 176.600 -0.104 0.000 1.029 451 K CA -0.011 56.200 56.287 -0.127 0.000 1.029 451 K CB 0.005 32.412 32.500 -0.155 0.000 0.814 451 K HN 0.560 nan 8.250 nan 0.000 0.503 452 K N 0.772 121.110 120.400 -0.102 0.000 3.071 452 K HA -0.197 4.123 4.320 -0.000 0.000 0.262 452 K C -0.540 176.030 176.600 -0.050 0.000 0.977 452 K CA 0.906 57.155 56.287 -0.063 0.000 0.721 452 K CB -2.036 30.440 32.500 -0.040 0.000 1.293 452 K HN 0.339 nan 8.250 nan 0.000 0.475 453 I N 1.568 122.111 120.570 -0.045 0.000 2.312 453 I HA 0.163 4.333 4.170 -0.000 0.000 0.290 453 I C -1.622 174.535 176.117 0.067 0.000 1.008 453 I CA -2.221 59.063 61.300 -0.026 0.000 1.226 453 I CB 0.918 38.832 38.000 -0.144 0.000 1.371 453 I HN -0.112 nan 8.210 nan 0.000 0.468 454 P HA 0.222 nan 4.420 nan 0.000 0.272 454 P C -1.051 176.293 177.300 0.073 0.000 1.254 454 P CA -0.365 62.753 63.100 0.030 0.000 0.795 454 P CB 0.641 32.345 31.700 0.006 0.000 1.022 455 L N -0.179 121.056 121.223 0.020 0.000 2.455 455 L HA 0.674 5.014 4.340 -0.000 0.000 0.264 455 L C -0.115 176.747 176.870 -0.012 0.000 0.968 455 L CA -0.325 54.516 54.840 0.002 0.000 0.827 455 L CB 1.431 43.420 42.059 -0.118 0.000 1.317 455 L HN 0.529 nan 8.230 nan 0.000 0.407 456 G N 1.857 110.658 108.800 0.001 0.000 2.502 456 G HA2 0.550 4.510 3.960 -0.000 0.000 0.305 456 G HA3 0.550 4.510 3.960 -0.000 0.000 0.305 456 G C 0.060 174.954 174.900 -0.010 0.000 1.190 456 G CA -0.218 44.883 45.100 0.001 0.000 0.933 456 G HN 0.962 nan 8.290 nan 0.000 0.503 457 G N -1.427 107.370 108.800 -0.004 0.000 2.631 457 G HA2 0.429 4.388 3.960 -0.000 0.000 0.271 457 G HA3 0.429 4.388 3.960 -0.000 0.000 0.271 457 G C -0.185 174.714 174.900 -0.002 0.000 1.302 457 G CA -0.410 44.686 45.100 -0.006 0.000 1.002 457 G HN 0.561 nan 8.290 nan 0.000 0.519 458 I N 0.000 120.570 120.570 -0.001 0.000 2.984 458 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 458 I CA 0.000 61.301 61.300 0.002 0.000 1.566 458 I CB 0.000 37.997 38.000 -0.004 0.000 1.214 458 I HN 0.000 nan 8.210 nan 0.000 0.494