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 2wnh_1_B DATA FIRST_RESID 7 DATA SEQUENCE SDPPPRDWQL EKVVELSRHG IRPPTAGNRE AIEAATGRPW TEWTTHDGEL DATA SEQUENCE TGHGYAAVVN KGREEGQHYR QLGLLQAGcP TAESIYVRAS PLQRTRATAQ DATA SEQUENCE ALVDGAFPGc GVAIHYANGD ADPLFQTDKF AATQTDPARQ LAAVKEKAGD DATA SEQUENCE LAQRRQALAP TIQLLKQAVc QADKPcPIFD TPWRVEQSKS GKTTISGLSV DATA SEQUENCE MANMVETLRL GWSENLPLSQ LAWGKIAQAS QITALLPLLT ENYDLSNDVL DATA SEQUENCE YTAQKRGSVL LNAMLDGVKP EASPNVRWLL LVAHDTNIAM VRTLMNFSWQ DATA SEQUENCE LPGYSRGNIP PGSSLVLERW RDAKSGERYL RVYFQAQGLD DLRRLQTPDA DATA SEQUENCE QHPMLRQEWR QPGcRQTDVG TLcPFQAAIT ALGQRIDRPS APAVAMVLPK 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.609 174.600 0.015 0.000 1.055 7 S CA 0.000 58.209 58.200 0.014 0.000 1.107 7 S CB 0.000 63.212 63.200 0.020 0.000 0.593 8 D N 1.741 122.151 120.400 0.017 0.000 2.358 8 D HA 0.412 5.052 4.640 0.000 0.000 0.244 8 D C -2.310 174.005 176.300 0.024 0.000 1.163 8 D CA -0.992 53.019 54.000 0.018 0.000 0.945 8 D CB 0.000 40.811 40.800 0.018 0.000 1.152 8 D HN 0.138 nan 8.370 nan 0.000 0.451 9 P HA 0.147 nan 4.420 nan 0.000 0.268 9 P C -2.387 174.936 177.300 0.039 0.000 1.208 9 P CA -0.676 62.440 63.100 0.027 0.000 0.777 9 P CB -0.385 31.329 31.700 0.024 0.000 0.875 10 P HA 0.110 nan 4.420 nan 0.000 0.269 10 P C -2.209 175.140 177.300 0.082 0.000 1.217 10 P CA -0.846 62.292 63.100 0.063 0.000 0.783 10 P CB -1.009 30.724 31.700 0.056 0.000 0.898 11 P HA 0.136 nan 4.420 nan 0.000 0.271 11 P C 0.145 177.522 177.300 0.128 0.000 1.218 11 P CA -0.042 63.145 63.100 0.145 0.000 0.780 11 P CB 0.949 32.792 31.700 0.238 0.000 0.901 12 R N 1.347 121.895 120.500 0.080 0.000 2.191 12 R HA 0.076 4.416 4.340 0.000 0.000 0.196 12 R C 1.287 177.590 176.300 0.004 0.000 0.991 12 R CA 0.793 56.919 56.100 0.045 0.000 1.075 12 R CB -0.965 29.343 30.300 0.012 0.000 1.040 12 R HN 0.404 nan 8.270 nan 0.000 0.526 13 D N -0.409 119.952 120.400 -0.064 0.000 2.219 13 D HA -0.088 4.552 4.640 0.000 0.000 0.205 13 D C -0.082 175.965 176.300 -0.421 0.000 0.970 13 D CA 0.813 54.652 54.000 -0.269 0.000 0.851 13 D CB 0.127 40.706 40.800 -0.368 0.000 0.943 13 D HN 0.099 nan 8.370 nan 0.000 0.488 14 W N 1.014 122.363 121.300 0.082 0.000 2.529 14 W HA 0.395 5.055 4.660 0.000 0.000 0.321 14 W C 0.143 176.870 176.519 0.348 0.000 1.047 14 W CA -0.908 56.545 57.345 0.181 0.000 1.216 14 W CB 1.456 30.941 29.460 0.043 0.000 1.357 14 W HN -0.369 nan 8.180 nan 0.000 0.489 15 Q N 3.567 123.762 119.800 0.657 0.000 2.321 15 Q HA 0.422 4.762 4.340 0.000 0.000 0.270 15 Q C -1.578 174.490 176.000 0.113 0.000 1.032 15 Q CA -1.073 54.936 55.803 0.343 0.000 0.784 15 Q CB 1.909 30.747 28.738 0.167 0.000 1.264 15 Q HN 0.589 nan 8.270 nan 0.000 0.448 16 L N 4.214 125.186 121.223 -0.417 0.000 2.313 16 L HA 0.215 4.555 4.340 0.000 0.000 0.282 16 L C 0.300 176.886 176.870 -0.473 0.000 1.092 16 L CA 0.909 55.146 54.840 -1.004 0.000 0.831 16 L CB 0.824 42.111 42.059 -1.288 0.000 1.159 16 L HN 0.839 nan 8.230 nan 0.000 0.442 17 E N 2.730 122.701 120.200 -0.381 0.000 2.251 17 E HA 0.089 4.439 4.350 0.000 0.000 0.194 17 E C -0.255 176.223 176.600 -0.204 0.000 0.964 17 E CA 0.168 56.440 56.400 -0.214 0.000 0.868 17 E CB 0.530 30.152 29.700 -0.130 0.000 0.828 17 E HN 0.354 nan 8.360 nan 0.000 0.481 18 K N 0.395 120.649 120.400 -0.245 0.000 2.569 18 K HA 0.267 4.588 4.320 0.000 0.000 0.259 18 K C -1.976 174.512 176.600 -0.185 0.000 0.932 18 K CA -0.398 55.794 56.287 -0.158 0.000 0.833 18 K CB 1.958 34.419 32.500 -0.064 0.000 1.340 18 K HN -0.153 nan 8.250 nan 0.000 0.429 19 V N 3.711 123.521 119.914 -0.174 0.000 2.495 19 V HA 0.628 4.748 4.120 0.000 0.000 0.298 19 V C -0.813 175.327 176.094 0.076 0.000 1.031 19 V CA -0.908 61.300 62.300 -0.154 0.000 0.871 19 V CB 1.857 33.359 31.823 -0.535 0.000 0.988 19 V HN 0.528 nan 8.190 nan 0.000 0.432 20 V N 4.229 124.198 119.914 0.093 0.000 2.444 20 V HA 0.526 4.646 4.120 0.000 0.000 0.294 20 V C -0.312 175.871 176.094 0.148 0.000 1.022 20 V CA -0.466 61.926 62.300 0.152 0.000 0.850 20 V CB 1.707 33.592 31.823 0.104 0.000 0.992 20 V HN 0.980 nan 8.190 nan 0.000 0.426 21 E N 3.911 124.249 120.200 0.229 0.000 2.248 21 E HA 0.627 4.977 4.350 0.000 0.000 0.267 21 E C -1.821 174.879 176.600 0.168 0.000 0.877 21 E CA -0.868 55.652 56.400 0.200 0.000 0.759 21 E CB 2.179 32.092 29.700 0.355 0.000 1.182 21 E HN 0.540 nan 8.360 nan 0.000 0.418 22 L N 3.823 125.120 121.223 0.123 0.000 2.318 22 L HA 0.458 4.798 4.340 0.000 0.000 0.277 22 L C -1.062 175.854 176.870 0.077 0.000 1.008 22 L CA -0.113 54.797 54.840 0.117 0.000 0.846 22 L CB 1.394 43.538 42.059 0.142 0.000 1.220 22 L HN 0.412 nan 8.230 nan 0.000 0.423 23 S N 4.947 120.666 115.700 0.032 0.000 2.565 23 S HA 0.591 5.061 4.470 0.000 0.000 0.290 23 S C -0.118 174.440 174.600 -0.070 0.000 1.150 23 S CA -0.743 57.449 58.200 -0.012 0.000 1.058 23 S CB 0.965 64.154 63.200 -0.018 0.000 1.032 23 S HN 0.770 nan 8.310 nan 0.000 0.510 24 R N 1.810 122.257 120.500 -0.087 0.000 2.582 24 R HA 0.243 4.583 4.340 0.000 0.000 0.271 24 R C -0.007 176.159 176.300 -0.222 0.000 1.078 24 R CA -0.406 55.571 56.100 -0.204 0.000 1.127 24 R CB 0.237 30.412 30.300 -0.209 0.000 1.038 24 R HN 0.925 nan 8.270 nan 0.000 0.500 25 H N 0.389 119.376 119.070 -0.138 0.000 2.822 25 H HA 0.234 4.790 4.556 0.000 0.000 0.373 25 H C 0.569 175.871 175.328 -0.043 0.000 1.223 25 H CA -0.036 55.943 56.048 -0.116 0.000 1.436 25 H CB 0.173 29.849 29.762 -0.144 0.000 1.439 25 H HN 0.709 nan 8.280 nan 0.000 0.618 26 G N 0.391 109.287 108.800 0.161 0.000 2.553 26 G HA2 0.292 4.252 3.960 0.000 0.000 0.278 26 G HA3 0.292 4.252 3.960 0.000 0.000 0.278 26 G C -0.107 174.944 174.900 0.252 0.000 1.349 26 G CA -0.905 44.280 45.100 0.141 0.000 1.037 26 G HN 0.759 nan 8.290 nan 0.000 0.508 27 I N 0.403 121.101 120.570 0.214 0.000 2.752 27 I HA 0.126 4.296 4.170 0.000 0.000 0.289 27 I C 0.868 177.102 176.117 0.195 0.000 1.197 27 I CA 0.543 61.989 61.300 0.243 0.000 1.432 27 I CB 0.215 38.393 38.000 0.296 0.000 1.359 27 I HN 0.539 nan 8.210 nan 0.000 0.571 28 R N 5.789 126.356 120.500 0.111 0.000 2.837 28 R HA 0.737 5.077 4.340 0.000 0.000 0.271 28 R C -3.024 173.018 176.300 -0.430 0.000 0.993 28 R CA -2.072 53.975 56.100 -0.088 0.000 0.931 28 R CB 0.764 30.982 30.300 -0.137 0.000 1.206 28 R HN 0.149 nan 8.270 nan 0.000 0.474 29 P HA 0.182 nan 4.420 nan 0.000 0.277 29 P C -2.465 174.387 177.300 -0.746 0.000 1.276 29 P CA -1.342 60.783 63.100 -1.625 0.000 0.788 29 P CB -0.165 30.692 31.700 -1.405 0.000 1.114 30 P HA -0.040 nan 4.420 nan 0.000 0.267 30 P C -0.008 177.145 177.300 -0.244 0.000 1.201 30 P CA 0.452 63.376 63.100 -0.293 0.000 0.775 30 P CB -0.228 31.333 31.700 -0.231 0.000 0.854 31 T N -1.637 112.817 114.554 -0.166 0.000 2.813 31 T HA 0.297 4.647 4.350 0.000 0.000 0.297 31 T C 1.611 176.240 174.700 -0.119 0.000 1.036 31 T CA 0.040 62.060 62.100 -0.133 0.000 1.044 31 T CB 0.249 69.056 68.868 -0.102 0.000 0.993 31 T HN 0.417 nan 8.240 nan 0.000 0.535 32 A N 1.533 124.298 122.820 -0.093 0.000 1.892 32 A HA 0.068 4.388 4.320 0.000 0.000 0.218 32 A C 2.526 180.064 177.584 -0.075 0.000 1.188 32 A CA 2.107 54.100 52.037 -0.072 0.000 0.631 32 A CB -1.802 17.165 19.000 -0.055 0.000 0.822 32 A HN 1.136 nan 8.150 nan 0.000 0.447 33 G N -0.395 108.358 108.800 -0.078 0.000 2.421 33 G HA2 -0.302 3.658 3.960 0.000 0.000 0.216 33 G HA3 -0.302 3.658 3.960 0.000 0.000 0.216 33 G C 1.434 176.275 174.900 -0.097 0.000 1.171 33 G CA 1.126 46.179 45.100 -0.078 0.000 0.775 33 G HN 0.727 nan 8.290 nan 0.000 0.543 34 N N -0.047 118.585 118.700 -0.113 0.000 2.061 34 N HA -0.153 4.587 4.740 0.000 0.000 0.193 34 N C 2.267 177.664 175.510 -0.188 0.000 1.030 34 N CA 1.058 54.020 53.050 -0.146 0.000 0.856 34 N CB -0.188 38.209 38.487 -0.150 0.000 1.023 34 N HN 0.256 nan 8.380 nan 0.000 0.424 35 R N 1.595 121.995 120.500 -0.167 0.000 2.083 35 R HA -0.162 4.178 4.340 0.000 0.000 0.237 35 R C 1.804 178.023 176.300 -0.136 0.000 1.137 35 R CA 1.553 57.552 56.100 -0.169 0.000 0.951 35 R CB -0.057 30.188 30.300 -0.091 0.000 0.851 35 R HN 0.311 nan 8.270 nan 0.000 0.434 36 E N -0.202 119.944 120.200 -0.090 0.000 2.086 36 E HA -0.263 4.087 4.350 0.000 0.000 0.200 36 E C 1.946 178.501 176.600 -0.075 0.000 1.012 36 E CA 1.598 57.962 56.400 -0.060 0.000 0.812 36 E CB -0.188 29.483 29.700 -0.050 0.000 0.743 36 E HN 0.528 nan 8.360 nan 0.000 0.453 37 A N 1.473 124.230 122.820 -0.106 0.000 1.873 37 A HA -0.162 4.158 4.320 0.000 0.000 0.215 37 A C 2.282 179.785 177.584 -0.135 0.000 1.186 37 A CA 1.540 53.511 52.037 -0.109 0.000 0.616 37 A CB -0.785 18.143 19.000 -0.120 0.000 0.823 37 A HN 0.419 nan 8.150 nan 0.000 0.442 38 I N -2.944 117.479 120.570 -0.245 0.000 2.439 38 I HA -0.106 4.064 4.170 0.000 0.000 0.251 38 I C 1.874 177.862 176.117 -0.215 0.000 1.139 38 I CA 1.863 62.945 61.300 -0.363 0.000 1.438 38 I CB -0.549 36.939 38.000 -0.853 0.000 1.085 38 I HN 0.280 nan 8.210 nan 0.000 0.427 39 E N 1.836 121.942 120.200 -0.157 0.000 2.107 39 E HA -0.099 4.251 4.350 0.000 0.000 0.191 39 E C 2.445 179.114 176.600 0.115 0.000 0.982 39 E CA 1.192 57.650 56.400 0.097 0.000 0.809 39 E CB -0.112 29.656 29.700 0.113 0.000 0.756 39 E HN 0.675 nan 8.360 nan 0.000 0.459 40 A N 1.566 124.411 122.820 0.041 0.000 1.898 40 A HA -0.069 4.251 4.320 0.000 0.000 0.216 40 A C 2.414 180.034 177.584 0.059 0.000 1.181 40 A CA 1.505 53.568 52.037 0.043 0.000 0.620 40 A CB -0.608 18.398 19.000 0.010 0.000 0.819 40 A HN 0.280 nan 8.150 nan 0.000 0.442 41 A N -0.460 122.386 122.820 0.044 0.000 1.978 41 A HA -0.108 4.213 4.320 0.000 0.000 0.220 41 A C 2.196 179.867 177.584 0.145 0.000 1.170 41 A CA 2.503 54.572 52.037 0.053 0.000 0.636 41 A CB -0.950 18.049 19.000 -0.002 0.000 0.810 41 A HN 0.844 nan 8.150 nan 0.000 0.448 42 T N -5.439 109.250 114.554 0.226 0.000 3.044 42 T HA 0.433 4.783 4.350 0.000 0.000 0.260 42 T C 1.244 176.052 174.700 0.180 0.000 1.019 42 T CA 0.998 63.265 62.100 0.279 0.000 0.921 42 T CB 0.181 69.326 68.868 0.461 0.000 1.053 42 T HN 1.691 nan 8.240 nan 0.000 0.533 43 G N 2.838 111.731 108.800 0.156 0.000 2.225 43 G HA2 -0.261 3.699 3.960 0.000 0.000 0.267 43 G HA3 -0.261 3.699 3.960 0.000 0.000 0.267 43 G C 0.043 175.006 174.900 0.105 0.000 1.024 43 G CA 0.470 45.635 45.100 0.108 0.000 0.784 43 G HN 0.985 nan 8.290 nan 0.000 0.507 44 R N -1.169 119.437 120.500 0.177 0.000 2.734 44 R HA 0.629 4.969 4.340 0.000 0.000 0.271 44 R C -3.389 173.123 176.300 0.352 0.000 1.021 44 R CA -1.755 54.450 56.100 0.176 0.000 0.893 44 R CB 1.026 31.344 30.300 0.030 0.000 1.244 44 R HN 0.045 nan 8.270 nan 0.000 0.464 45 P HA 0.220 nan 4.420 nan 0.000 0.275 45 P C -1.041 176.628 177.300 0.615 0.000 1.228 45 P CA -0.228 63.119 63.100 0.411 0.000 0.786 45 P CB 0.470 32.332 31.700 0.270 0.000 0.927 46 W N 0.237 121.706 121.300 0.282 0.000 2.576 46 W HA 0.304 4.964 4.660 0.000 0.000 0.360 46 W C 0.412 177.021 176.519 0.149 0.000 1.109 46 W CA -0.280 57.220 57.345 0.258 0.000 1.237 46 W CB 0.138 29.731 29.460 0.221 0.000 1.369 46 W HN 0.160 nan 8.180 nan 0.000 0.609 47 T N 3.164 117.863 114.554 0.241 0.000 2.891 47 T HA -0.035 4.316 4.350 0.000 0.000 0.296 47 T C -0.112 174.801 174.700 0.355 0.000 1.025 47 T CA 0.113 62.312 62.100 0.163 0.000 1.149 47 T CB 0.097 68.944 68.868 -0.036 0.000 1.007 47 T HN 0.075 nan 8.240 nan 0.000 0.528 48 E N 2.563 122.920 120.200 0.262 0.000 2.167 48 E HA 0.141 4.492 4.350 0.000 0.000 0.284 48 E C -0.393 176.407 176.600 0.333 0.000 1.016 48 E CA -0.327 56.243 56.400 0.282 0.000 0.817 48 E CB 0.706 30.503 29.700 0.161 0.000 1.080 48 E HN 0.512 nan 8.360 nan 0.000 0.397 49 W N 1.207 122.505 121.300 -0.003 0.000 2.213 49 W HA 0.154 4.814 4.660 0.000 0.000 0.356 49 W C 1.664 178.148 176.519 -0.059 0.000 1.273 49 W CA -0.654 56.674 57.345 -0.028 0.000 1.391 49 W CB -0.157 29.292 29.460 -0.019 0.000 1.187 49 W HN 0.342 nan 8.180 nan 0.000 0.649 50 T N 0.273 114.930 114.554 0.172 0.000 2.995 50 T HA -0.055 4.295 4.350 0.000 0.000 0.269 50 T C 0.603 175.289 174.700 -0.023 0.000 1.091 50 T CA 1.047 63.170 62.100 0.038 0.000 1.128 50 T CB -0.236 68.638 68.868 0.010 0.000 0.891 50 T HN 0.241 nan 8.240 nan 0.000 0.492 51 T N 2.139 116.733 114.554 0.066 0.000 2.882 51 T HA 0.205 4.555 4.350 0.000 0.000 0.287 51 T C -0.035 174.610 174.700 -0.092 0.000 0.992 51 T CA -0.636 61.450 62.100 -0.022 0.000 1.076 51 T CB 0.538 69.463 68.868 0.096 0.000 0.961 51 T HN 0.268 nan 8.240 nan 0.000 0.490 52 H N 2.328 121.405 119.070 0.011 0.000 2.972 52 H HA -0.006 4.550 4.556 0.000 0.000 0.343 52 H C 0.215 175.490 175.328 -0.088 0.000 1.054 52 H CA 0.086 56.119 56.048 -0.026 0.000 1.412 52 H CB 0.389 30.134 29.762 -0.029 0.000 1.385 52 H HN 0.562 nan 8.280 nan 0.000 0.600 53 D N 1.166 121.570 120.400 0.007 0.000 2.583 53 D HA 0.026 4.666 4.640 0.000 0.000 0.232 53 D C 1.537 177.773 176.300 -0.107 0.000 1.128 53 D CA 1.615 55.544 54.000 -0.119 0.000 0.859 53 D CB 0.383 41.124 40.800 -0.097 0.000 1.169 53 D HN 0.838 nan 8.370 nan 0.000 0.481 54 G N 2.214 110.908 108.800 -0.175 0.000 2.184 54 G HA2 -0.302 3.658 3.960 0.000 0.000 0.264 54 G HA3 -0.302 3.658 3.960 0.000 0.000 0.264 54 G C 0.306 175.121 174.900 -0.142 0.000 0.975 54 G CA 0.363 45.371 45.100 -0.154 0.000 0.642 54 G HN 0.557 nan 8.290 nan 0.000 0.536 55 E N -0.677 119.466 120.200 -0.094 0.000 2.250 55 E HA 0.601 4.951 4.350 0.000 0.000 0.265 55 E C -0.127 176.447 176.600 -0.043 0.000 1.033 55 E CA -1.118 55.249 56.400 -0.054 0.000 0.888 55 E CB 1.662 31.376 29.700 0.024 0.000 1.151 55 E HN 0.176 nan 8.360 nan 0.000 0.412 56 L N 1.994 123.213 121.223 -0.007 0.000 2.410 56 L HA 0.090 4.431 4.340 0.000 0.000 0.273 56 L C 0.252 177.185 176.870 0.105 0.000 1.144 56 L CA 0.298 55.171 54.840 0.055 0.000 0.863 56 L CB 0.522 42.635 42.059 0.091 0.000 1.140 56 L HN 0.594 nan 8.230 nan 0.000 0.463 57 T N 1.453 116.097 114.554 0.150 0.000 2.828 57 T HA 0.372 4.722 4.350 0.000 0.000 0.290 57 T C 1.294 176.109 174.700 0.191 0.000 1.019 57 T CA -0.195 62.017 62.100 0.186 0.000 1.031 57 T CB 1.102 70.142 68.868 0.286 0.000 1.001 57 T HN 0.711 nan 8.240 nan 0.000 0.531 58 G N -0.364 108.528 108.800 0.153 0.000 2.418 58 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 58 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 58 G C 1.338 176.347 174.900 0.181 0.000 1.158 58 G CA 1.121 46.295 45.100 0.123 0.000 0.771 58 G HN 1.043 nan 8.290 nan 0.000 0.545 59 H N 0.436 119.560 119.070 0.090 0.000 2.352 59 H HA -0.004 4.552 4.556 0.000 0.000 0.299 59 H C 2.695 178.086 175.328 0.105 0.000 1.097 59 H CA 1.878 57.971 56.048 0.075 0.000 1.311 59 H CB -0.374 29.413 29.762 0.042 0.000 1.377 59 H HN 0.268 nan 8.280 nan 0.000 0.504 60 G N -0.651 108.332 108.800 0.305 0.000 2.446 60 G HA2 -0.365 3.596 3.960 0.000 0.000 0.217 60 G HA3 -0.365 3.596 3.960 0.000 0.000 0.217 60 G C 1.563 176.552 174.900 0.149 0.000 1.168 60 G CA 0.970 46.205 45.100 0.225 0.000 0.771 60 G HN 0.536 nan 8.290 nan 0.000 0.551 61 Y N 1.922 122.251 120.300 0.048 0.000 2.128 61 Y HA -0.044 4.506 4.550 0.001 0.000 0.284 61 Y C 3.021 178.910 175.900 -0.018 0.000 1.154 61 Y CA 1.593 59.702 58.100 0.014 0.000 1.149 61 Y CB -0.416 38.052 38.460 0.012 0.000 0.976 61 Y HN 0.258 nan 8.280 nan 0.000 0.505 62 A N 0.245 123.177 122.820 0.187 0.000 1.908 62 A HA -0.197 4.123 4.320 0.000 0.000 0.218 62 A C 2.409 179.954 177.584 -0.065 0.000 1.181 62 A CA 2.132 54.196 52.037 0.045 0.000 0.627 62 A CB -1.534 17.436 19.000 -0.049 0.000 0.818 62 A HN 0.592 nan 8.150 nan 0.000 0.445 63 A N -0.761 121.995 122.820 -0.107 0.000 1.933 63 A HA 0.027 4.347 4.320 0.000 0.000 0.218 63 A C 2.225 179.767 177.584 -0.071 0.000 1.175 63 A CA 1.753 53.734 52.037 -0.094 0.000 0.628 63 A CB -0.818 18.152 19.000 -0.050 0.000 0.814 63 A HN 0.392 nan 8.150 nan 0.000 0.444 64 V N -0.454 119.409 119.914 -0.086 0.000 2.358 64 V HA -0.204 3.916 4.120 0.000 0.000 0.246 64 V C 2.564 178.572 176.094 -0.144 0.000 1.047 64 V CA 1.803 64.029 62.300 -0.123 0.000 1.035 64 V CB -0.701 31.018 31.823 -0.172 0.000 0.658 64 V HN 0.364 nan 8.190 nan 0.000 0.452 65 V N 0.847 120.656 119.914 -0.174 0.000 2.324 65 V HA -0.357 3.763 4.120 0.000 0.000 0.250 65 V C 2.108 178.162 176.094 -0.067 0.000 1.060 65 V CA 2.653 64.885 62.300 -0.114 0.000 1.042 65 V CB -1.095 30.706 31.823 -0.036 0.000 0.650 65 V HN 0.660 nan 8.190 nan 0.000 0.450 66 N N -0.261 118.400 118.700 -0.064 0.000 2.069 66 N HA -0.216 4.524 4.740 0.000 0.000 0.191 66 N C 2.045 177.520 175.510 -0.057 0.000 1.031 66 N CA 1.216 54.231 53.050 -0.058 0.000 0.852 66 N CB -0.201 38.247 38.487 -0.065 0.000 1.018 66 N HN 0.336 nan 8.380 nan 0.000 0.423 67 K N 1.383 121.748 120.400 -0.059 0.000 2.026 67 K HA -0.089 4.231 4.320 0.000 0.000 0.208 67 K C 2.062 178.638 176.600 -0.040 0.000 1.048 67 K CA 1.459 57.713 56.287 -0.056 0.000 0.929 67 K CB -0.591 31.877 32.500 -0.055 0.000 0.713 67 K HN 0.212 nan 8.250 nan 0.000 0.439 68 G N 1.466 110.250 108.800 -0.027 0.000 2.442 68 G HA2 -0.287 3.674 3.960 0.000 0.000 0.219 68 G HA3 -0.287 3.674 3.960 0.000 0.000 0.219 68 G C 1.760 176.645 174.900 -0.025 0.000 1.141 68 G CA 0.912 46.019 45.100 0.012 0.000 0.763 68 G HN 0.401 nan 8.290 nan 0.000 0.554 69 R N 0.235 120.707 120.500 -0.047 0.000 2.073 69 R HA -0.067 4.273 4.340 0.000 0.000 0.234 69 R C 2.393 178.656 176.300 -0.063 0.000 1.134 69 R CA 1.508 57.574 56.100 -0.056 0.000 0.952 69 R CB -0.180 30.096 30.300 -0.040 0.000 0.850 69 R HN 0.222 nan 8.270 nan 0.000 0.433 70 E N 0.547 120.708 120.200 -0.065 0.000 2.106 70 E HA -0.217 4.133 4.350 0.000 0.000 0.192 70 E C 1.751 178.284 176.600 -0.112 0.000 0.984 70 E CA 1.088 57.441 56.400 -0.078 0.000 0.806 70 E CB -0.134 29.517 29.700 -0.083 0.000 0.750 70 E HN 0.535 nan 8.360 nan 0.000 0.458 71 E N 0.298 120.420 120.200 -0.130 0.000 2.051 71 E HA -0.128 4.222 4.350 0.000 0.000 0.192 71 E C 2.132 178.597 176.600 -0.225 0.000 0.991 71 E CA 1.131 57.395 56.400 -0.226 0.000 0.799 71 E CB -0.221 29.412 29.700 -0.112 0.000 0.748 71 E HN 0.252 nan 8.360 nan 0.000 0.449 72 G N 0.385 109.119 108.800 -0.110 0.000 2.418 72 G HA2 -0.300 3.660 3.960 0.000 0.000 0.217 72 G HA3 -0.300 3.660 3.960 0.000 0.000 0.217 72 G C 1.429 176.282 174.900 -0.077 0.000 1.158 72 G CA 0.789 45.813 45.100 -0.125 0.000 0.771 72 G HN 0.284 nan 8.290 nan 0.000 0.545 73 Q N -0.722 119.037 119.800 -0.069 0.000 2.084 73 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 73 Q C 2.265 178.249 176.000 -0.026 0.000 0.978 73 Q CA 1.525 57.309 55.803 -0.031 0.000 0.844 73 Q CB -0.258 28.466 28.738 -0.023 0.000 0.898 73 Q HN 0.746 nan 8.270 nan 0.000 0.426 74 H N -0.395 118.563 119.070 -0.188 0.000 2.321 74 H HA -0.180 4.377 4.556 0.000 0.000 0.300 74 H C 1.310 176.536 175.328 -0.169 0.000 1.087 74 H CA 1.791 57.697 56.048 -0.238 0.000 1.319 74 H CB -0.123 29.386 29.762 -0.421 0.000 1.379 74 H HN 0.231 nan 8.280 nan 0.000 0.501 75 Y N 0.399 120.571 120.300 -0.213 0.000 2.439 75 Y HA 0.029 4.580 4.550 0.000 0.000 0.292 75 Y C 2.592 178.401 175.900 -0.151 0.000 1.130 75 Y CA 0.786 58.722 58.100 -0.273 0.000 1.254 75 Y CB -0.211 38.069 38.460 -0.300 0.000 1.000 75 Y HN 0.200 nan 8.280 nan 0.000 0.554 76 R N -0.335 120.198 120.500 0.054 0.000 2.073 76 R HA -0.178 4.162 4.340 0.000 0.000 0.229 76 R C 2.199 178.506 176.300 0.012 0.000 1.120 76 R CA 1.307 57.438 56.100 0.052 0.000 0.967 76 R CB -0.276 30.061 30.300 0.062 0.000 0.862 76 R HN 0.256 nan 8.270 nan 0.000 0.436 77 Q N 1.379 121.166 119.800 -0.022 0.000 2.096 77 Q HA -0.123 4.217 4.340 0.000 0.000 0.204 77 Q C 1.660 177.644 176.000 -0.026 0.000 0.982 77 Q CA 1.639 57.428 55.803 -0.023 0.000 0.850 77 Q CB -0.280 28.442 28.738 -0.027 0.000 0.901 77 Q HN 0.346 nan 8.270 nan 0.000 0.422 78 L N -0.879 120.300 121.223 -0.074 0.000 2.610 78 L HA 0.166 4.506 4.340 0.000 0.000 0.232 78 L C 1.272 178.135 176.870 -0.010 0.000 1.149 78 L CA 0.494 55.316 54.840 -0.031 0.000 0.872 78 L CB -0.396 41.617 42.059 -0.076 0.000 0.992 78 L HN 0.644 nan 8.230 nan 0.000 0.447 79 G N 0.166 108.962 108.800 -0.007 0.000 2.159 79 G HA2 -0.341 3.619 3.960 0.000 0.000 0.256 79 G HA3 -0.341 3.619 3.960 0.000 0.000 0.256 79 G C 0.759 175.648 174.900 -0.018 0.000 0.977 79 G CA 0.557 45.657 45.100 0.001 0.000 0.652 79 G HN 0.312 nan 8.290 nan 0.000 0.531 80 L N -0.273 120.922 121.223 -0.047 0.000 2.056 80 L HA 0.442 4.782 4.340 0.000 0.000 0.207 80 L C 1.403 178.272 176.870 -0.003 0.000 1.078 80 L CA 1.627 56.417 54.840 -0.083 0.000 0.749 80 L CB -0.054 41.882 42.059 -0.205 0.000 0.901 80 L HN 0.378 nan 8.230 nan 0.000 0.433 81 L N 0.466 121.726 121.223 0.062 0.000 2.334 81 L HA 0.326 4.666 4.340 0.000 0.000 0.272 81 L C -0.178 176.764 176.870 0.119 0.000 1.020 81 L CA -1.026 53.899 54.840 0.143 0.000 0.812 81 L CB 1.238 43.461 42.059 0.273 0.000 1.264 81 L HN 0.185 nan 8.230 nan 0.000 0.439 82 Q N 1.794 121.669 119.800 0.127 0.000 2.417 82 Q HA 0.407 4.747 4.340 0.000 0.000 0.241 82 Q C -0.311 175.762 176.000 0.120 0.000 1.008 82 Q CA -0.562 55.301 55.803 0.099 0.000 0.901 82 Q CB 1.125 29.909 28.738 0.076 0.000 1.259 82 Q HN 0.612 nan 8.270 nan 0.000 0.489 83 A N 1.164 124.036 122.820 0.088 0.000 2.483 83 A HA 0.489 4.810 4.320 0.000 0.000 0.238 83 A C 0.975 178.619 177.584 0.100 0.000 1.070 83 A CA 0.866 52.956 52.037 0.088 0.000 0.770 83 A CB -0.811 18.225 19.000 0.060 0.000 1.008 83 A HN 1.461 nan 8.150 nan 0.000 0.497 84 G N -0.277 108.590 108.800 0.112 0.000 2.542 84 G HA2 -0.137 3.823 3.960 0.000 0.000 0.235 84 G HA3 -0.137 3.823 3.960 0.000 0.000 0.235 84 G C 0.236 175.228 174.900 0.153 0.000 1.286 84 G CA -0.236 44.930 45.100 0.110 0.000 0.904 84 G HN 1.551 nan 8.290 nan 0.000 0.577 85 c N 3.571 122.232 118.600 0.101 0.000 2.539 85 c HA 0.672 5.242 4.570 0.000 0.000 0.392 85 c C -0.712 173.373 174.090 -0.009 0.000 1.269 85 c CA -0.200 56.169 56.329 0.068 0.000 2.250 85 c CB 0.745 43.271 42.510 0.027 0.000 2.584 85 c HN 0.790 nan 8.230 nan 0.000 0.589 86 P HA 0.363 nan 4.420 nan 0.000 0.277 86 P C -0.382 176.823 177.300 -0.158 0.000 1.271 86 P CA 0.127 63.082 63.100 -0.242 0.000 0.795 86 P CB 0.667 31.932 31.700 -0.726 0.000 1.101 87 T N -4.549 109.940 114.554 -0.109 0.000 2.841 87 T HA 0.578 4.928 4.350 0.000 0.000 0.276 87 T C 1.314 175.976 174.700 -0.062 0.000 1.003 87 T CA -0.187 61.873 62.100 -0.068 0.000 0.995 87 T CB 0.611 69.461 68.868 -0.030 0.000 1.260 87 T HN 0.304 nan 8.240 nan 0.000 0.581 88 A N -0.284 122.520 122.820 -0.027 0.000 1.978 88 A HA -0.069 4.252 4.320 0.000 0.000 0.220 88 A C 2.092 179.682 177.584 0.011 0.000 1.170 88 A CA 1.920 53.959 52.037 0.004 0.000 0.636 88 A CB -1.159 17.850 19.000 0.016 0.000 0.810 88 A HN 0.981 nan 8.150 nan 0.000 0.448 89 E N -0.147 120.054 120.200 0.000 0.000 2.338 89 E HA -0.096 4.254 4.350 0.000 0.000 0.197 89 E C 1.744 178.360 176.600 0.027 0.000 1.007 89 E CA 0.961 57.367 56.400 0.008 0.000 0.849 89 E CB 0.007 29.708 29.700 0.001 0.000 0.774 89 E HN 0.623 nan 8.360 nan 0.000 0.506 90 S N 0.064 115.776 115.700 0.020 0.000 2.362 90 S HA 0.124 4.595 4.470 0.000 0.000 0.221 90 S C 0.885 175.558 174.600 0.120 0.000 1.032 90 S CA 0.535 58.773 58.200 0.063 0.000 0.973 90 S CB 0.434 63.633 63.200 -0.003 0.000 0.849 90 S HN 0.302 nan 8.310 nan 0.000 0.465 91 I N -0.350 120.245 120.570 0.042 0.000 2.841 91 I HA 0.439 4.610 4.170 0.000 0.000 0.298 91 I C -2.239 173.912 176.117 0.056 0.000 1.304 91 I CA -1.031 60.284 61.300 0.024 0.000 1.019 91 I CB 2.181 40.109 38.000 -0.120 0.000 1.282 91 I HN 0.156 nan 8.210 nan 0.000 0.432 92 Y N 6.587 126.847 120.300 -0.067 0.000 2.346 92 Y HA 0.663 5.214 4.550 0.000 0.000 0.332 92 Y C -1.561 174.322 175.900 -0.027 0.000 0.985 92 Y CA -0.591 57.493 58.100 -0.026 0.000 1.112 92 Y CB 1.706 40.139 38.460 -0.046 0.000 1.170 92 Y HN 0.219 nan 8.280 nan 0.000 0.447 93 V N 7.409 127.061 119.914 -0.436 0.000 2.384 93 V HA 0.528 4.648 4.120 0.000 0.000 0.287 93 V C -0.561 175.360 176.094 -0.289 0.000 1.020 93 V CA -0.791 61.336 62.300 -0.289 0.000 0.850 93 V CB 1.414 33.094 31.823 -0.237 0.000 0.987 93 V HN 0.710 nan 8.190 nan 0.000 0.436 94 R N 3.768 124.232 120.500 -0.060 0.000 2.388 94 R HA 0.761 5.101 4.340 0.000 0.000 0.314 94 R C -0.507 175.910 176.300 0.196 0.000 0.959 94 R CA -0.232 55.939 56.100 0.119 0.000 0.851 94 R CB 1.380 31.850 30.300 0.283 0.000 1.168 94 R HN 0.829 nan 8.270 nan 0.000 0.472 95 A N 2.977 125.900 122.820 0.172 0.000 2.324 95 A HA 0.400 4.720 4.320 0.000 0.000 0.330 95 A C -0.262 177.401 177.584 0.131 0.000 1.165 95 A CA -0.569 51.500 52.037 0.054 0.000 0.813 95 A CB 1.585 20.579 19.000 -0.009 0.000 1.197 95 A HN 0.751 nan 8.150 nan 0.000 0.484 96 S N 2.378 117.978 115.700 -0.166 0.000 2.558 96 S HA 0.146 4.616 4.470 0.000 0.000 0.291 96 S C -1.146 173.502 174.600 0.079 0.000 1.306 96 S CA -0.372 57.834 58.200 0.011 0.000 1.056 96 S CB 0.393 63.482 63.200 -0.185 0.000 0.836 96 S HN 0.521 nan 8.310 nan 0.000 0.504 97 P HA 0.062 nan 4.420 nan 0.000 0.242 97 P C 0.045 177.320 177.300 -0.041 0.000 1.197 97 P CA 0.108 63.252 63.100 0.074 0.000 0.765 97 P CB -0.082 31.734 31.700 0.192 0.000 0.936 98 L N 0.750 121.978 121.223 0.008 0.000 2.483 98 L HA 0.030 4.370 4.340 0.000 0.000 0.276 98 L C 2.361 179.171 176.870 -0.101 0.000 1.213 98 L CA 0.603 55.431 54.840 -0.021 0.000 0.843 98 L CB -0.265 41.830 42.059 0.059 0.000 1.107 98 L HN -0.103 nan 8.230 nan 0.000 0.487 99 Q N 2.871 122.609 119.800 -0.103 0.000 2.077 99 Q HA -0.239 4.101 4.340 0.000 0.000 0.206 99 Q C 2.052 177.991 176.000 -0.102 0.000 0.989 99 Q CA 2.421 58.157 55.803 -0.111 0.000 0.853 99 Q CB -0.015 28.677 28.738 -0.078 0.000 0.907 99 Q HN 0.744 nan 8.270 nan 0.000 0.418 100 R N -0.392 120.039 120.500 -0.115 0.000 2.096 100 R HA -0.090 4.250 4.340 0.000 0.000 0.235 100 R C 2.179 178.412 176.300 -0.112 0.000 1.127 100 R CA 1.951 57.965 56.100 -0.144 0.000 0.968 100 R CB -0.999 29.107 30.300 -0.322 0.000 0.861 100 R HN 0.288 nan 8.270 nan 0.000 0.440 101 T N -1.059 113.411 114.554 -0.139 0.000 2.894 101 T HA 0.084 4.434 4.350 0.000 0.000 0.258 101 T C 1.982 176.602 174.700 -0.133 0.000 1.043 101 T CA 0.440 62.447 62.100 -0.155 0.000 1.141 101 T CB -0.154 68.549 68.868 -0.273 0.000 0.873 101 T HN 0.232 nan 8.240 nan 0.000 0.449 102 R N 1.484 121.892 120.500 -0.153 0.000 2.083 102 R HA 0.065 4.405 4.340 0.000 0.000 0.237 102 R C 2.932 179.183 176.300 -0.083 0.000 1.137 102 R CA 1.488 57.487 56.100 -0.168 0.000 0.951 102 R CB -0.694 29.405 30.300 -0.334 0.000 0.851 102 R HN 0.514 nan 8.270 nan 0.000 0.434 103 A N 0.197 122.992 122.820 -0.041 0.000 1.930 103 A HA -0.105 4.216 4.320 0.000 0.000 0.217 103 A C 2.146 179.744 177.584 0.024 0.000 1.175 103 A CA 1.643 53.722 52.037 0.070 0.000 0.627 103 A CB -0.588 18.486 19.000 0.124 0.000 0.815 103 A HN 0.259 nan 8.150 nan 0.000 0.443 104 T N 0.340 114.869 114.554 -0.041 0.000 2.746 104 T HA -0.030 4.321 4.350 0.000 0.000 0.267 104 T C 2.247 176.864 174.700 -0.140 0.000 1.039 104 T CA 1.547 63.585 62.100 -0.105 0.000 1.142 104 T CB -0.431 68.407 68.868 -0.050 0.000 0.866 104 T HN 0.587 nan 8.240 nan 0.000 0.444 105 A N 1.474 124.231 122.820 -0.104 0.000 1.883 105 A HA -0.209 4.111 4.320 0.000 0.000 0.217 105 A C 2.282 179.806 177.584 -0.099 0.000 1.186 105 A CA 1.740 53.716 52.037 -0.103 0.000 0.624 105 A CB -0.743 18.206 19.000 -0.086 0.000 0.822 105 A HN 0.563 nan 8.150 nan 0.000 0.444 106 Q N -0.673 119.091 119.800 -0.061 0.000 2.061 106 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 106 Q C 2.446 178.394 176.000 -0.088 0.000 0.984 106 Q CA 1.566 57.365 55.803 -0.008 0.000 0.846 106 Q CB -0.451 28.357 28.738 0.116 0.000 0.902 106 Q HN 0.696 nan 8.270 nan 0.000 0.421 107 A N 0.848 123.443 122.820 -0.376 0.000 1.908 107 A HA -0.180 4.140 4.320 0.000 0.000 0.218 107 A C 2.081 179.470 177.584 -0.326 0.000 1.181 107 A CA 1.210 52.782 52.037 -0.775 0.000 0.627 107 A CB -0.695 17.517 19.000 -1.314 0.000 0.818 107 A HN 0.296 nan 8.150 nan 0.000 0.445 108 L N -0.146 120.954 121.223 -0.205 0.000 2.046 108 L HA -0.163 4.178 4.340 0.000 0.000 0.208 108 L C 2.633 179.475 176.870 -0.047 0.000 1.077 108 L CA 1.593 56.375 54.840 -0.097 0.000 0.747 108 L CB -0.471 41.552 42.059 -0.061 0.000 0.896 108 L HN 0.465 nan 8.230 nan 0.000 0.432 109 V N -4.475 115.423 119.914 -0.026 0.000 2.788 109 V HA -0.132 3.988 4.120 0.000 0.000 0.251 109 V C 2.080 178.264 176.094 0.151 0.000 1.068 109 V CA 1.429 63.800 62.300 0.118 0.000 1.090 109 V CB -0.534 31.365 31.823 0.127 0.000 0.710 109 V HN 0.300 nan 8.190 nan 0.000 0.467 110 D N 1.995 122.438 120.400 0.071 0.000 2.133 110 D HA -0.108 4.532 4.640 0.000 0.000 0.195 110 D C 2.130 178.468 176.300 0.063 0.000 0.997 110 D CA 2.138 56.194 54.000 0.093 0.000 0.840 110 D CB -0.550 40.326 40.800 0.126 0.000 0.947 110 D HN 0.499 nan 8.370 nan 0.000 0.452 111 G N -0.010 108.792 108.800 0.004 0.000 2.394 111 G HA2 -0.058 3.902 3.960 0.000 0.000 0.214 111 G HA3 -0.058 3.902 3.960 0.000 0.000 0.214 111 G C 1.706 176.569 174.900 -0.061 0.000 1.176 111 G CA 1.105 46.193 45.100 -0.021 0.000 0.786 111 G HN 0.407 nan 8.290 nan 0.000 0.533 112 A N -0.120 122.623 122.820 -0.127 0.000 1.969 112 A HA 0.317 4.637 4.320 0.000 0.000 0.218 112 A C 0.587 177.777 177.584 -0.657 0.000 1.169 112 A CA 0.567 52.365 52.037 -0.398 0.000 0.635 112 A CB -0.210 18.500 19.000 -0.484 0.000 0.810 112 A HN 0.283 nan 8.150 nan 0.000 0.445 113 F N -0.453 119.551 119.950 0.089 0.000 2.660 113 F HA 0.355 4.882 4.527 0.000 0.000 0.352 113 F C -2.788 173.042 175.800 0.050 0.000 1.257 113 F CA -3.099 54.944 58.000 0.072 0.000 1.200 113 F CB 0.740 39.775 39.000 0.058 0.000 1.473 113 F HN -0.099 nan 8.300 nan 0.000 0.561 114 P HA 0.120 nan 4.420 nan 0.000 0.260 114 P C 0.989 178.352 177.300 0.105 0.000 1.185 114 P CA 1.070 64.231 63.100 0.101 0.000 0.763 114 P CB 0.614 32.353 31.700 0.065 0.000 0.776 115 G N 2.506 111.360 108.800 0.091 0.000 2.166 115 G HA2 -0.352 3.608 3.960 0.000 0.000 0.260 115 G HA3 -0.352 3.608 3.960 0.000 0.000 0.260 115 G C 0.919 175.861 174.900 0.070 0.000 0.986 115 G CA 0.216 45.359 45.100 0.071 0.000 0.683 115 G HN 0.569 nan 8.290 nan 0.000 0.527 116 c N 0.745 119.403 118.600 0.096 0.000 2.576 116 c HA 0.489 5.059 4.570 0.000 0.000 0.267 116 c C 2.295 176.403 174.090 0.030 0.000 1.364 116 c CA 0.433 56.804 56.329 0.070 0.000 1.723 116 c CB -1.097 41.474 42.510 0.102 0.000 1.778 116 c HN 1.974 nan 8.230 nan 0.000 0.572 117 G N 1.721 110.544 108.800 0.037 0.000 2.395 117 G HA2 -0.219 3.741 3.960 0.000 0.000 0.300 117 G HA3 -0.219 3.741 3.960 0.000 0.000 0.300 117 G C 0.014 174.905 174.900 -0.014 0.000 0.998 117 G CA 0.341 45.450 45.100 0.015 0.000 1.046 117 G HN 0.450 nan 8.290 nan 0.000 0.513 118 V N 0.384 120.290 119.914 -0.014 0.000 2.521 118 V HA 0.521 4.641 4.120 0.000 0.000 0.286 118 V C 1.107 177.153 176.094 -0.080 0.000 1.034 118 V CA 0.107 62.363 62.300 -0.072 0.000 1.045 118 V CB 0.841 32.609 31.823 -0.092 0.000 0.974 118 V HN 0.995 nan 8.190 nan 0.000 0.480 119 A N 6.348 129.091 122.820 -0.129 0.000 2.271 119 A HA 0.869 5.189 4.320 0.000 0.000 0.288 119 A C -0.225 177.174 177.584 -0.308 0.000 1.094 119 A CA -0.543 51.381 52.037 -0.188 0.000 0.828 119 A CB 0.572 19.443 19.000 -0.214 0.000 1.091 119 A HN 0.954 nan 8.150 nan 0.000 0.493 120 I N -2.304 118.063 120.570 -0.338 0.000 3.170 120 I HA 0.676 4.846 4.170 0.000 0.000 0.312 120 I C -0.669 175.093 176.117 -0.591 0.000 1.085 120 I CA -0.857 60.218 61.300 -0.376 0.000 0.999 120 I CB 1.970 39.899 38.000 -0.119 0.000 1.233 120 I HN 0.609 nan 8.210 nan 0.000 0.467 121 H N 1.357 120.355 119.070 -0.121 0.000 2.690 121 H HA 0.588 5.145 4.556 0.000 0.000 0.368 121 H C -1.635 173.737 175.328 0.073 0.000 1.150 121 H CA -0.407 55.565 56.048 -0.128 0.000 1.174 121 H CB 2.067 31.692 29.762 -0.229 0.000 1.684 121 H HN 0.774 nan 8.280 nan 0.000 0.538 122 Y N -1.327 119.046 120.300 0.121 0.000 2.624 122 Y HA 0.635 5.185 4.550 0.000 0.000 0.334 122 Y C -0.854 175.121 175.900 0.124 0.000 1.155 122 Y CA -1.488 56.686 58.100 0.123 0.000 1.046 122 Y CB 0.499 39.007 38.460 0.079 0.000 1.316 122 Y HN 0.725 nan 8.280 nan 0.000 0.457 123 A N 2.118 125.105 122.820 0.279 0.000 2.462 123 A HA 0.217 4.537 4.320 0.000 0.000 0.243 123 A C 0.556 178.249 177.584 0.182 0.000 1.076 123 A CA -0.184 51.960 52.037 0.178 0.000 0.773 123 A CB -0.009 19.111 19.000 0.201 0.000 1.010 123 A HN 0.879 nan 8.150 nan 0.000 0.493 124 N N 1.715 120.470 118.700 0.091 0.000 2.104 124 N HA -0.109 4.631 4.740 0.000 0.000 0.190 124 N C 1.269 176.854 175.510 0.124 0.000 1.024 124 N CA 1.599 54.701 53.050 0.086 0.000 0.853 124 N CB -0.527 37.987 38.487 0.044 0.000 1.008 124 N HN 0.777 nan 8.380 nan 0.000 0.424 125 G N 0.641 109.514 108.800 0.121 0.000 2.494 125 G HA2 0.136 4.096 3.960 0.000 0.000 0.270 125 G HA3 0.136 4.096 3.960 0.000 0.000 0.270 125 G C -0.086 174.890 174.900 0.126 0.000 1.423 125 G CA 0.045 45.209 45.100 0.106 0.000 1.055 125 G HN 0.277 nan 8.290 nan 0.000 0.536 126 D N -1.453 119.003 120.400 0.094 0.000 2.388 126 D HA 0.465 5.105 4.640 0.000 0.000 0.221 126 D C 0.355 176.726 176.300 0.117 0.000 1.133 126 D CA 0.101 54.157 54.000 0.093 0.000 0.831 126 D CB 0.550 41.377 40.800 0.046 0.000 0.962 126 D HN 0.490 nan 8.370 nan 0.000 0.502 127 A N 0.487 123.404 122.820 0.162 0.000 2.375 127 A HA 0.473 4.793 4.320 0.000 0.000 0.295 127 A C -1.604 176.216 177.584 0.393 0.000 1.066 127 A CA -0.875 51.311 52.037 0.248 0.000 0.722 127 A CB 1.530 20.592 19.000 0.103 0.000 1.206 127 A HN 0.047 nan 8.150 nan 0.000 0.435 128 D N 4.138 124.766 120.400 0.380 0.000 2.256 128 D HA 0.405 5.045 4.640 0.000 0.000 0.240 128 D C -1.820 174.498 176.300 0.030 0.000 1.062 128 D CA -1.857 52.278 54.000 0.225 0.000 0.832 128 D CB 2.246 43.229 40.800 0.304 0.000 1.135 128 D HN 0.212 nan 8.370 nan 0.000 0.484 129 P HA -0.037 nan 4.420 nan 0.000 0.230 129 P C 1.525 178.532 177.300 -0.488 0.000 1.158 129 P CA 0.426 62.974 63.100 -0.920 0.000 0.769 129 P CB 0.541 31.548 31.700 -1.154 0.000 0.807 130 L N -2.747 118.166 121.223 -0.516 0.000 2.270 130 L HA 0.014 4.354 4.340 0.000 0.000 0.210 130 L C 1.941 178.545 176.870 -0.444 0.000 1.104 130 L CA 1.093 55.555 54.840 -0.629 0.000 0.804 130 L CB -0.410 40.973 42.059 -1.126 0.000 0.937 130 L HN -0.096 nan 8.230 nan 0.000 0.450 131 F N -1.560 118.431 119.950 0.067 0.000 2.537 131 F HA 0.144 4.671 4.527 0.000 0.000 0.275 131 F C 1.214 177.092 175.800 0.130 0.000 0.947 131 F CA -0.461 57.614 58.000 0.126 0.000 1.238 131 F CB -0.303 38.807 39.000 0.183 0.000 1.071 131 F HN -0.210 nan 8.300 nan 0.000 0.749 132 Q N 1.308 121.317 119.800 0.350 0.000 3.247 132 Q HA 0.136 4.477 4.340 0.000 0.000 0.326 132 Q C 1.290 177.479 176.000 0.316 0.000 1.402 132 Q CA 0.167 56.132 55.803 0.269 0.000 0.994 132 Q CB -0.291 28.605 28.738 0.263 0.000 1.647 132 Q HN 0.421 nan 8.270 nan 0.000 0.523 133 T N -3.425 111.263 114.554 0.223 0.000 3.007 133 T HA -0.150 4.201 4.350 0.000 0.000 0.270 133 T C 1.100 175.908 174.700 0.181 0.000 1.107 133 T CA 1.001 63.227 62.100 0.210 0.000 1.118 133 T CB -0.006 68.914 68.868 0.087 0.000 0.889 133 T HN 0.423 nan 8.240 nan 0.000 0.506 134 D N 0.931 121.397 120.400 0.110 0.000 2.378 134 D HA -0.038 4.602 4.640 0.000 0.000 0.227 134 D C 1.412 177.719 176.300 0.010 0.000 1.012 134 D CA 0.325 54.353 54.000 0.048 0.000 0.905 134 D CB -0.138 40.670 40.800 0.012 0.000 0.895 134 D HN 0.257 nan 8.370 nan 0.000 0.532 135 K N -0.262 120.141 120.400 0.006 0.000 2.373 135 K HA 0.195 4.515 4.320 0.000 0.000 0.202 135 K C -0.472 175.807 176.600 -0.536 0.000 1.025 135 K CA -0.224 55.907 56.287 -0.261 0.000 1.115 135 K CB 0.394 32.670 32.500 -0.373 0.000 0.858 135 K HN 0.164 nan 8.250 nan 0.000 0.525 136 F N -0.440 119.507 119.950 -0.006 0.000 2.540 136 F HA 0.349 4.877 4.527 0.000 0.000 0.317 136 F C 1.309 177.103 175.800 -0.011 0.000 1.104 136 F CA -0.932 57.062 58.000 -0.009 0.000 0.913 136 F CB 1.597 40.589 39.000 -0.013 0.000 1.170 136 F HN -0.165 nan 8.300 nan 0.000 0.450 137 A N 2.326 125.232 122.820 0.143 0.000 1.917 137 A HA -0.144 4.176 4.320 0.000 0.000 0.219 137 A C 2.200 179.828 177.584 0.074 0.000 1.182 137 A CA 2.309 54.393 52.037 0.078 0.000 0.633 137 A CB -1.066 17.968 19.000 0.056 0.000 0.819 137 A HN 0.894 nan 8.150 nan 0.000 0.448 138 A N -1.016 121.854 122.820 0.084 0.000 2.067 138 A HA 0.052 4.373 4.320 0.000 0.000 0.219 138 A C 1.988 179.588 177.584 0.028 0.000 1.158 138 A CA 2.090 54.153 52.037 0.042 0.000 0.661 138 A CB -0.707 18.305 19.000 0.021 0.000 0.801 138 A HN 0.871 nan 8.150 nan 0.000 0.452 139 T N -3.535 111.050 114.554 0.053 0.000 3.091 139 T HA 0.314 4.664 4.350 0.000 0.000 0.277 139 T C 0.335 175.049 174.700 0.022 0.000 0.996 139 T CA -0.345 61.770 62.100 0.024 0.000 0.897 139 T CB -0.020 68.865 68.868 0.028 0.000 1.109 139 T HN 0.402 nan 8.240 nan 0.000 0.534 140 Q N 2.863 122.685 119.800 0.036 0.000 2.293 140 Q HA 0.441 4.781 4.340 0.000 0.000 0.251 140 Q C 0.231 176.241 176.000 0.017 0.000 0.930 140 Q CA -0.470 55.349 55.803 0.027 0.000 0.893 140 Q CB 1.182 29.939 28.738 0.032 0.000 1.215 140 Q HN 0.540 nan 8.270 nan 0.000 0.425 141 T N -1.479 113.088 114.554 0.021 0.000 2.868 141 T HA 0.110 4.460 4.350 0.000 0.000 0.292 141 T C -0.133 174.654 174.700 0.145 0.000 1.028 141 T CA -0.902 61.254 62.100 0.094 0.000 1.059 141 T CB 0.948 69.898 68.868 0.136 0.000 0.991 141 T HN 0.448 nan 8.240 nan 0.000 0.531 142 D N 1.899 122.443 120.400 0.239 0.000 2.274 142 D HA 0.248 4.888 4.640 0.000 0.000 0.239 142 D C -1.609 174.740 176.300 0.083 0.000 1.104 142 D CA -2.302 51.772 54.000 0.124 0.000 0.840 142 D CB 1.822 42.676 40.800 0.090 0.000 1.100 142 D HN 0.178 nan 8.370 nan 0.000 0.477 143 P HA -0.162 nan 4.420 nan 0.000 0.216 143 P C 0.958 178.246 177.300 -0.019 0.000 1.150 143 P CA 1.348 64.458 63.100 0.017 0.000 0.843 143 P CB 0.245 31.948 31.700 0.005 0.000 0.787 144 A N -0.550 122.249 122.820 -0.035 0.000 1.930 144 A HA -0.184 4.136 4.320 0.000 0.000 0.217 144 A C 2.280 179.790 177.584 -0.124 0.000 1.175 144 A CA 1.314 53.313 52.037 -0.063 0.000 0.627 144 A CB -0.776 18.193 19.000 -0.051 0.000 0.815 144 A HN -0.008 nan 8.150 nan 0.000 0.443 145 R N -0.604 119.778 120.500 -0.198 0.000 2.073 145 R HA -0.099 4.241 4.340 0.000 0.000 0.229 145 R C 2.334 178.334 176.300 -0.500 0.000 1.120 145 R CA 1.545 57.374 56.100 -0.452 0.000 0.967 145 R CB -0.771 29.065 30.300 -0.774 0.000 0.862 145 R HN 0.814 nan 8.270 nan 0.000 0.436 146 Q N 0.537 120.183 119.800 -0.255 0.000 2.124 146 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 146 Q C 2.050 178.022 176.000 -0.047 0.000 0.977 146 Q CA 1.111 56.896 55.803 -0.030 0.000 0.850 146 Q CB -0.062 28.756 28.738 0.135 0.000 0.901 146 Q HN 0.098 nan 8.270 nan 0.000 0.429 147 L N 0.610 121.798 121.223 -0.059 0.000 2.012 147 L HA -0.172 4.168 4.340 0.000 0.000 0.210 147 L C 2.204 179.041 176.870 -0.057 0.000 1.073 147 L CA 2.372 57.184 54.840 -0.047 0.000 0.748 147 L CB -0.995 41.039 42.059 -0.042 0.000 0.891 147 L HN 0.248 nan 8.230 nan 0.000 0.431 148 A N -0.575 122.191 122.820 -0.090 0.000 1.883 148 A HA -0.158 4.162 4.320 0.000 0.000 0.217 148 A C 2.462 180.003 177.584 -0.071 0.000 1.186 148 A CA 2.225 54.211 52.037 -0.084 0.000 0.624 148 A CB -1.329 17.602 19.000 -0.115 0.000 0.822 148 A HN 0.605 nan 8.150 nan 0.000 0.444 149 A N -0.644 122.118 122.820 -0.097 0.000 1.883 149 A HA -0.042 4.278 4.320 0.000 0.000 0.217 149 A C 2.260 179.843 177.584 -0.002 0.000 1.186 149 A CA 1.995 54.008 52.037 -0.040 0.000 0.624 149 A CB -1.052 17.945 19.000 -0.004 0.000 0.822 149 A HN 0.446 nan 8.150 nan 0.000 0.444 150 V N 0.021 119.934 119.914 -0.002 0.000 2.295 150 V HA -0.272 3.849 4.120 0.000 0.000 0.246 150 V C 2.451 178.545 176.094 -0.000 0.000 1.049 150 V CA 2.382 64.682 62.300 0.001 0.000 1.024 150 V CB -0.712 31.106 31.823 -0.007 0.000 0.648 150 V HN 0.544 nan 8.190 nan 0.000 0.447 151 K N -0.186 120.210 120.400 -0.007 0.000 2.057 151 K HA -0.236 4.084 4.320 0.000 0.000 0.207 151 K C 2.221 178.823 176.600 0.004 0.000 1.049 151 K CA 1.669 57.956 56.287 -0.000 0.000 0.931 151 K CB -0.172 32.324 32.500 -0.007 0.000 0.714 151 K HN 0.377 nan 8.250 nan 0.000 0.440 152 E N 1.501 121.699 120.200 -0.003 0.000 2.051 152 E HA -0.200 4.150 4.350 0.000 0.000 0.192 152 E C 1.813 178.419 176.600 0.010 0.000 0.991 152 E CA 1.642 58.043 56.400 0.001 0.000 0.799 152 E CB 0.059 29.756 29.700 -0.005 0.000 0.748 152 E HN 0.117 nan 8.360 nan 0.000 0.449 153 K N -0.723 119.685 120.400 0.013 0.000 2.062 153 K HA -0.023 4.297 4.320 0.000 0.000 0.205 153 K C 2.026 178.641 176.600 0.024 0.000 1.051 153 K CA 1.030 57.328 56.287 0.018 0.000 0.941 153 K CB -0.220 32.291 32.500 0.018 0.000 0.719 153 K HN 0.176 nan 8.250 nan 0.000 0.440 154 A N 0.756 123.592 122.820 0.026 0.000 1.902 154 A HA 0.042 4.363 4.320 0.000 0.000 0.217 154 A C 1.471 179.084 177.584 0.049 0.000 1.181 154 A CA 1.835 53.898 52.037 0.043 0.000 0.623 154 A CB -1.196 17.830 19.000 0.044 0.000 0.818 154 A HN 0.607 nan 8.150 nan 0.000 0.443 155 G N -0.481 108.340 108.800 0.035 0.000 2.583 155 G HA2 -0.331 3.629 3.960 0.000 0.000 0.292 155 G HA3 -0.331 3.629 3.960 0.000 0.000 0.292 155 G C -0.045 174.878 174.900 0.039 0.000 1.203 155 G CA 0.400 45.519 45.100 0.031 0.000 0.987 155 G HN 0.670 nan 8.290 nan 0.000 0.554 156 D N 1.527 121.949 120.400 0.036 0.000 2.359 156 D HA 0.367 5.007 4.640 0.000 0.000 0.250 156 D C 1.823 178.154 176.300 0.052 0.000 1.264 156 D CA -0.054 53.966 54.000 0.034 0.000 0.911 156 D CB 0.370 41.181 40.800 0.018 0.000 1.056 156 D HN 0.359 nan 8.370 nan 0.000 0.499 157 L N 3.168 124.436 121.223 0.076 0.000 2.156 157 L HA -0.100 4.241 4.340 0.000 0.000 0.208 157 L C 2.436 179.337 176.870 0.050 0.000 1.095 157 L CA 0.878 55.802 54.840 0.140 0.000 0.770 157 L CB -0.166 42.018 42.059 0.207 0.000 0.914 157 L HN 0.428 nan 8.230 nan 0.000 0.439 158 A N -0.420 122.394 122.820 -0.010 0.000 1.908 158 A HA -0.300 4.021 4.320 0.000 0.000 0.218 158 A C 2.247 179.762 177.584 -0.115 0.000 1.181 158 A CA 1.944 53.925 52.037 -0.093 0.000 0.627 158 A CB -0.515 18.451 19.000 -0.057 0.000 0.818 158 A HN 0.478 nan 8.150 nan 0.000 0.445 159 Q N -0.710 119.057 119.800 -0.054 0.000 2.079 159 Q HA -0.142 4.198 4.340 0.000 0.000 0.200 159 Q C 2.318 178.290 176.000 -0.046 0.000 0.974 159 Q CA 1.276 57.052 55.803 -0.044 0.000 0.840 159 Q CB -0.071 28.660 28.738 -0.013 0.000 0.898 159 Q HN 0.666 nan 8.270 nan 0.000 0.430 160 R N -0.155 120.341 120.500 -0.008 0.000 2.081 160 R HA -0.129 4.211 4.340 0.000 0.000 0.235 160 R C 2.476 178.719 176.300 -0.095 0.000 1.131 160 R CA 1.475 57.604 56.100 0.049 0.000 0.960 160 R CB -0.293 30.132 30.300 0.207 0.000 0.856 160 R HN 0.199 nan 8.270 nan 0.000 0.436 161 R N 0.686 120.926 120.500 -0.433 0.000 2.081 161 R HA -0.204 4.136 4.340 0.000 0.000 0.235 161 R C 2.275 178.290 176.300 -0.475 0.000 1.131 161 R CA 1.761 57.246 56.100 -1.025 0.000 0.960 161 R CB -0.040 29.416 30.300 -1.408 0.000 0.856 161 R HN 0.062 nan 8.270 nan 0.000 0.436 162 Q N 0.327 119.958 119.800 -0.282 0.000 2.079 162 Q HA -0.050 4.290 4.340 0.000 0.000 0.200 162 Q C 1.748 177.693 176.000 -0.091 0.000 0.974 162 Q CA 2.109 57.819 55.803 -0.156 0.000 0.840 162 Q CB -0.285 28.388 28.738 -0.110 0.000 0.898 162 Q HN 0.419 nan 8.270 nan 0.000 0.430 163 A N -0.307 122.473 122.820 -0.067 0.000 2.019 163 A HA -0.053 4.267 4.320 0.000 0.000 0.219 163 A C 1.761 179.351 177.584 0.009 0.000 1.164 163 A CA 1.071 53.098 52.037 -0.016 0.000 0.644 163 A CB -0.407 18.597 19.000 0.007 0.000 0.805 163 A HN 0.427 nan 8.150 nan 0.000 0.449 164 L N -0.867 120.362 121.223 0.010 0.000 2.611 164 L HA 0.148 4.488 4.340 0.000 0.000 0.229 164 L C 2.502 179.408 176.870 0.059 0.000 1.137 164 L CA 0.285 55.169 54.840 0.073 0.000 0.901 164 L CB -0.080 42.092 42.059 0.189 0.000 1.098 164 L HN 0.401 nan 8.230 nan 0.000 0.456 165 A N 1.288 124.110 122.820 0.004 0.000 1.892 165 A HA -0.153 4.167 4.320 0.000 0.000 0.218 165 A C -0.192 177.414 177.584 0.038 0.000 1.188 165 A CA 1.753 53.795 52.037 0.009 0.000 0.631 165 A CB -1.591 17.396 19.000 -0.022 0.000 0.822 165 A HN 0.286 nan 8.150 nan 0.000 0.447 166 P HA -0.093 nan 4.420 nan 0.000 0.215 166 P C 1.456 178.790 177.300 0.056 0.000 1.153 166 P CA 1.838 64.958 63.100 0.034 0.000 0.853 166 P CB -0.310 31.405 31.700 0.026 0.000 0.788 167 T N -0.337 114.265 114.554 0.080 0.000 2.777 167 T HA -0.067 4.283 4.350 0.000 0.000 0.266 167 T C 1.797 176.590 174.700 0.155 0.000 1.040 167 T CA 1.008 63.173 62.100 0.108 0.000 1.141 167 T CB -0.909 68.032 68.868 0.122 0.000 0.868 167 T HN 0.063 nan 8.240 nan 0.000 0.444 168 I N 1.236 121.921 120.570 0.190 0.000 2.208 168 I HA -0.238 3.932 4.170 0.000 0.000 0.245 168 I C 2.812 179.049 176.117 0.199 0.000 1.097 168 I CA 1.266 62.740 61.300 0.290 0.000 1.363 168 I CB -0.396 37.788 38.000 0.307 0.000 1.051 168 I HN 0.195 nan 8.210 nan 0.000 0.413 169 Q N 1.428 121.279 119.800 0.085 0.000 2.084 169 Q HA -0.163 4.178 4.340 0.000 0.000 0.202 169 Q C 2.117 178.111 176.000 -0.010 0.000 0.978 169 Q CA 1.805 57.605 55.803 -0.004 0.000 0.844 169 Q CB -0.450 28.285 28.738 -0.006 0.000 0.898 169 Q HN 0.502 nan 8.270 nan 0.000 0.426 170 L N -0.255 120.990 121.223 0.036 0.000 2.042 170 L HA -0.190 4.151 4.340 0.000 0.000 0.210 170 L C 2.316 179.228 176.870 0.070 0.000 1.076 170 L CA 0.972 55.837 54.840 0.041 0.000 0.749 170 L CB -0.666 41.422 42.059 0.049 0.000 0.893 170 L HN 0.308 nan 8.230 nan 0.000 0.432 171 L N 0.199 121.505 121.223 0.139 0.000 2.046 171 L HA -0.217 4.123 4.340 0.000 0.000 0.208 171 L C 2.579 179.543 176.870 0.156 0.000 1.077 171 L CA 1.799 56.779 54.840 0.232 0.000 0.747 171 L CB -0.572 41.720 42.059 0.389 0.000 0.896 171 L HN 0.112 nan 8.230 nan 0.000 0.432 172 K N -0.897 119.431 120.400 -0.120 0.000 2.032 172 K HA -0.251 4.069 4.320 0.000 0.000 0.209 172 K C 2.128 178.589 176.600 -0.231 0.000 1.048 172 K CA 2.018 57.967 56.287 -0.565 0.000 0.927 172 K CB -0.158 31.816 32.500 -0.877 0.000 0.712 172 K HN 0.498 nan 8.250 nan 0.000 0.441 173 Q N -0.581 119.143 119.800 -0.126 0.000 2.135 173 Q HA -0.179 4.162 4.340 0.000 0.000 0.204 173 Q C 1.982 177.974 176.000 -0.014 0.000 0.981 173 Q CA 1.683 57.447 55.803 -0.066 0.000 0.856 173 Q CB -0.111 28.606 28.738 -0.035 0.000 0.902 173 Q HN 0.419 nan 8.270 nan 0.000 0.425 174 A N 0.093 122.937 122.820 0.041 0.000 1.930 174 A HA -0.054 4.267 4.320 0.000 0.000 0.215 174 A C 2.045 179.719 177.584 0.150 0.000 1.176 174 A CA 1.377 53.477 52.037 0.106 0.000 0.632 174 A CB -0.067 19.017 19.000 0.139 0.000 0.819 174 A HN 0.321 nan 8.150 nan 0.000 0.445 175 V N -4.660 115.332 119.914 0.129 0.000 3.635 175 V HA 0.243 4.363 4.120 0.000 0.000 0.266 175 V C 0.583 176.623 176.094 -0.090 0.000 1.316 175 V CA -0.299 62.081 62.300 0.133 0.000 1.060 175 V CB -0.845 31.225 31.823 0.412 0.000 0.820 175 V HN 0.336 nan 8.190 nan 0.000 0.447 176 c N 2.364 120.911 118.600 -0.088 0.000 2.388 176 c HA 0.523 5.093 4.570 0.000 0.000 0.362 176 c C 0.447 174.415 174.090 -0.203 0.000 1.266 176 c CA -0.428 55.826 56.329 -0.124 0.000 2.028 176 c CB 0.317 42.749 42.510 -0.130 0.000 2.440 176 c HN 0.596 nan 8.230 nan 0.000 0.547 177 Q N 1.706 121.374 119.800 -0.220 0.000 2.332 177 Q HA 0.403 4.743 4.340 0.000 0.000 0.263 177 Q C 0.258 176.178 176.000 -0.132 0.000 0.979 177 Q CA -0.132 55.542 55.803 -0.214 0.000 0.885 177 Q CB 0.759 29.371 28.738 -0.209 0.000 1.218 177 Q HN 0.895 nan 8.270 nan 0.000 0.405 178 A N 3.601 126.351 122.820 -0.116 0.000 2.561 178 A HA -0.048 4.272 4.320 0.000 0.000 0.251 178 A C 0.107 177.653 177.584 -0.064 0.000 1.062 178 A CA 0.051 52.040 52.037 -0.080 0.000 0.761 178 A CB -0.043 18.917 19.000 -0.067 0.000 0.986 178 A HN 0.933 nan 8.150 nan 0.000 0.510 179 D N 0.291 120.660 120.400 -0.052 0.000 2.723 179 D HA -0.134 4.506 4.640 0.000 0.000 0.236 179 D C -0.274 176.007 176.300 -0.033 0.000 1.138 179 D CA 1.735 55.714 54.000 -0.036 0.000 0.676 179 D CB -0.988 39.794 40.800 -0.030 0.000 1.069 179 D HN 0.622 nan 8.370 nan 0.000 0.430 180 K N -0.156 120.222 120.400 -0.036 0.000 2.435 180 K HA 0.532 4.852 4.320 0.000 0.000 0.251 180 K C -2.528 174.069 176.600 -0.005 0.000 0.954 180 K CA -1.495 54.778 56.287 -0.025 0.000 0.820 180 K CB 1.538 34.013 32.500 -0.042 0.000 1.292 180 K HN -0.243 nan 8.250 nan 0.000 0.436 181 P HA 0.049 nan 4.420 nan 0.000 0.264 181 P C -0.845 176.495 177.300 0.067 0.000 1.193 181 P CA -0.293 62.831 63.100 0.040 0.000 0.763 181 P CB 0.418 32.141 31.700 0.039 0.000 0.810 182 c N 6.415 125.082 118.600 0.112 0.000 2.816 182 c HA 0.294 4.865 4.570 0.000 0.000 0.255 182 c C -1.187 173.049 174.090 0.245 0.000 1.141 182 c CA -1.785 54.667 56.329 0.205 0.000 1.554 182 c CB -0.273 42.391 42.510 0.255 0.000 1.778 182 c HN 0.560 nan 8.230 nan 0.000 0.429 183 P HA -0.170 nan 4.420 nan 0.000 0.216 183 P C 1.579 178.936 177.300 0.094 0.000 1.157 183 P CA 1.294 64.458 63.100 0.108 0.000 0.880 183 P CB 0.121 31.864 31.700 0.071 0.000 0.791 184 I N -1.762 118.831 120.570 0.037 0.000 2.315 184 I HA -0.229 3.941 4.170 0.000 0.000 0.251 184 I C 1.723 177.755 176.117 -0.143 0.000 1.125 184 I CA 1.510 62.742 61.300 -0.113 0.000 1.392 184 I CB -0.736 37.099 38.000 -0.275 0.000 1.065 184 I HN -0.175 nan 8.210 nan 0.000 0.424 185 F N 0.005 120.023 119.950 0.113 0.000 2.661 185 F HA -0.044 4.483 4.527 0.000 0.000 0.298 185 F C 1.953 177.805 175.800 0.087 0.000 1.137 185 F CA 0.518 58.588 58.000 0.116 0.000 1.454 185 F CB -0.385 38.670 39.000 0.092 0.000 1.103 185 F HN 0.111 nan 8.300 nan 0.000 0.577 186 D N -0.731 119.787 120.400 0.197 0.000 2.346 186 D HA -0.029 4.611 4.640 0.000 0.000 0.206 186 D C 1.223 177.582 176.300 0.098 0.000 1.001 186 D CA 0.646 54.721 54.000 0.126 0.000 0.871 186 D CB -0.325 40.536 40.800 0.101 0.000 0.943 186 D HN 0.152 nan 8.370 nan 0.000 0.518 187 T N 0.915 115.533 114.554 0.105 0.000 2.814 187 T HA 0.348 4.698 4.350 0.000 0.000 0.297 187 T C -2.662 172.141 174.700 0.170 0.000 0.956 187 T CA -1.653 60.513 62.100 0.109 0.000 1.123 187 T CB 1.648 70.566 68.868 0.082 0.000 0.902 187 T HN -0.268 nan 8.240 nan 0.000 0.528 188 P HA 0.197 nan 4.420 nan 0.000 0.272 188 P C -0.765 176.720 177.300 0.309 0.000 1.223 188 P CA -0.493 62.691 63.100 0.141 0.000 0.784 188 P CB 0.329 32.073 31.700 0.074 0.000 0.923 189 W N 3.833 125.131 121.300 -0.004 0.000 2.358 189 W HA 0.339 4.999 4.660 0.000 0.000 0.307 189 W C 0.929 177.443 176.519 -0.009 0.000 1.203 189 W CA -0.114 57.225 57.345 -0.009 0.000 1.279 189 W CB -0.241 29.216 29.460 -0.005 0.000 1.264 189 W HN 0.327 nan 8.180 nan 0.000 0.474 190 R N 1.090 121.690 120.500 0.167 0.000 2.771 190 R HA 0.750 5.090 4.340 0.000 0.000 0.274 190 R C -1.487 174.833 176.300 0.034 0.000 0.987 190 R CA -0.994 55.160 56.100 0.089 0.000 0.908 190 R CB 1.153 31.492 30.300 0.065 0.000 1.213 190 R HN 0.008 nan 8.270 nan 0.000 0.468 191 V N 2.158 122.085 119.914 0.022 0.000 2.470 191 V HA 0.174 4.294 4.120 0.000 0.000 0.276 191 V C 0.136 176.224 176.094 -0.010 0.000 1.040 191 V CA 0.148 62.446 62.300 -0.003 0.000 1.008 191 V CB 0.520 32.342 31.823 -0.002 0.000 0.990 191 V HN 0.726 nan 8.190 nan 0.000 0.477 192 E N 3.907 124.092 120.200 -0.024 0.000 2.277 192 E HA 0.583 4.933 4.350 0.000 0.000 0.266 192 E C -1.117 175.467 176.600 -0.028 0.000 0.901 192 E CA -0.894 55.492 56.400 -0.024 0.000 0.782 192 E CB 2.538 32.222 29.700 -0.028 0.000 1.228 192 E HN 0.644 nan 8.360 nan 0.000 0.424 193 Q N 1.048 120.834 119.800 -0.024 0.000 2.356 193 Q HA 0.333 4.673 4.340 0.000 0.000 0.270 193 Q C -0.621 175.365 176.000 -0.024 0.000 1.058 193 Q CA -0.686 55.103 55.803 -0.024 0.000 0.802 193 Q CB 2.367 31.094 28.738 -0.019 0.000 1.303 193 Q HN 0.664 nan 8.270 nan 0.000 0.444 194 S N 0.659 116.343 115.700 -0.027 0.000 2.634 194 S HA 0.105 4.575 4.470 0.000 0.000 0.261 194 S C 0.982 175.569 174.600 -0.022 0.000 1.271 194 S CA -0.351 57.833 58.200 -0.027 0.000 0.985 194 S CB 0.990 64.170 63.200 -0.032 0.000 0.968 194 S HN 0.821 nan 8.310 nan 0.000 0.568 195 K N 0.140 120.528 120.400 -0.022 0.000 2.211 195 K HA -0.096 4.224 4.320 0.000 0.000 0.203 195 K C 1.750 178.339 176.600 -0.018 0.000 1.050 195 K CA 1.647 57.923 56.287 -0.019 0.000 0.945 195 K CB -0.541 31.948 32.500 -0.018 0.000 0.732 195 K HN 0.635 nan 8.250 nan 0.000 0.451 196 S N -0.669 115.018 115.700 -0.021 0.000 2.562 196 S HA 0.173 4.643 4.470 0.000 0.000 0.221 196 S C 1.432 176.022 174.600 -0.016 0.000 0.975 196 S CA 0.160 58.348 58.200 -0.021 0.000 0.918 196 S CB -0.024 63.160 63.200 -0.026 0.000 0.772 196 S HN 0.672 nan 8.310 nan 0.000 0.531 197 G N 1.061 109.852 108.800 -0.015 0.000 2.141 197 G HA2 -0.218 3.742 3.960 0.000 0.000 0.231 197 G HA3 -0.218 3.742 3.960 0.000 0.000 0.231 197 G C -0.106 174.789 174.900 -0.009 0.000 0.984 197 G CA -0.171 44.923 45.100 -0.009 0.000 0.660 197 G HN 0.512 nan 8.290 nan 0.000 0.525 198 K N 1.259 121.648 120.400 -0.019 0.000 2.412 198 K HA 0.350 4.670 4.320 0.000 0.000 0.281 198 K C -0.086 176.496 176.600 -0.030 0.000 1.027 198 K CA 0.479 56.750 56.287 -0.026 0.000 0.989 198 K CB 0.568 33.044 32.500 -0.039 0.000 0.935 198 K HN 0.163 nan 8.250 nan 0.000 0.475 199 T N 2.728 117.265 114.554 -0.029 0.000 2.756 199 T HA 0.240 4.590 4.350 0.000 0.000 0.290 199 T C 0.140 174.807 174.700 -0.055 0.000 0.985 199 T CA -0.692 61.388 62.100 -0.033 0.000 0.955 199 T CB 1.000 69.857 68.868 -0.018 0.000 0.930 199 T HN 0.656 nan 8.240 nan 0.000 0.451 200 T N 0.315 114.830 114.554 -0.065 0.000 2.916 200 T HA 0.730 5.080 4.350 0.000 0.000 0.292 200 T C -0.561 174.080 174.700 -0.097 0.000 1.064 200 T CA -1.070 60.974 62.100 -0.093 0.000 1.011 200 T CB 1.163 69.970 68.868 -0.102 0.000 1.152 200 T HN 0.287 nan 8.240 nan 0.000 0.510 201 I N 3.093 123.577 120.570 -0.143 0.000 2.321 201 I HA 0.302 4.472 4.170 0.000 0.000 0.291 201 I C 1.153 177.141 176.117 -0.215 0.000 0.998 201 I CA -0.558 60.643 61.300 -0.166 0.000 1.227 201 I CB 1.002 38.861 38.000 -0.235 0.000 1.368 201 I HN 1.008 nan 8.210 nan 0.000 0.466 202 S N 4.176 119.796 115.700 -0.133 0.000 2.568 202 S HA 0.459 4.930 4.470 0.000 0.000 0.282 202 S C 1.168 175.638 174.600 -0.217 0.000 1.338 202 S CA 0.271 58.401 58.200 -0.117 0.000 1.045 202 S CB 1.350 64.539 63.200 -0.019 0.000 0.873 202 S HN 1.206 nan 8.310 nan 0.000 0.516 203 G N 2.123 110.811 108.800 -0.188 0.000 5.155 203 G HA2 -0.354 3.606 3.960 0.000 0.000 0.239 203 G HA3 -0.354 3.606 3.960 0.000 0.000 0.239 203 G C 0.693 175.315 174.900 -0.464 0.000 1.409 203 G CA 0.546 45.520 45.100 -0.210 0.000 0.927 203 G HN 1.270 nan 8.290 nan 0.000 0.710 204 L N 2.379 122.977 121.223 -1.043 0.000 2.012 204 L HA 0.018 4.359 4.340 0.000 0.000 0.210 204 L C 3.196 179.778 176.870 -0.480 0.000 1.073 204 L CA 3.685 57.919 54.840 -1.011 0.000 0.748 204 L CB -0.889 40.288 42.059 -1.470 0.000 0.891 204 L HN 1.049 nan 8.230 nan 0.000 0.431 205 S N -1.735 113.733 115.700 -0.386 0.000 2.368 205 S HA -0.162 4.308 4.470 0.000 0.000 0.225 205 S C 1.912 176.401 174.600 -0.184 0.000 1.030 205 S CA 1.474 59.529 58.200 -0.241 0.000 0.999 205 S CB -1.271 61.809 63.200 -0.201 0.000 0.844 205 S HN 0.271 nan 8.310 nan 0.000 0.459 206 V N 2.040 121.841 119.914 -0.189 0.000 2.453 206 V HA -0.071 4.049 4.120 0.000 0.000 0.247 206 V C 2.651 178.666 176.094 -0.132 0.000 1.048 206 V CA 1.922 64.131 62.300 -0.152 0.000 1.049 206 V CB -0.858 30.878 31.823 -0.145 0.000 0.672 206 V HN 0.458 nan 8.190 nan 0.000 0.457 207 M N 0.051 119.559 119.600 -0.154 0.000 2.108 207 M HA -0.203 4.277 4.480 0.000 0.000 0.261 207 M C 2.377 178.670 176.300 -0.011 0.000 1.066 207 M CA 2.213 57.466 55.300 -0.078 0.000 1.107 207 M CB -0.553 32.005 32.600 -0.070 0.000 1.356 207 M HN 0.422 nan 8.290 nan 0.000 0.406 208 A N 0.634 123.424 122.820 -0.050 0.000 1.902 208 A HA -0.194 4.126 4.320 0.000 0.000 0.217 208 A C 1.709 179.308 177.584 0.024 0.000 1.181 208 A CA 2.125 54.166 52.037 0.007 0.000 0.623 208 A CB -1.148 17.844 19.000 -0.013 0.000 0.818 208 A HN 0.624 nan 8.150 nan 0.000 0.443 209 N N -0.658 118.024 118.700 -0.029 0.000 2.104 209 N HA -0.172 4.568 4.740 0.000 0.000 0.190 209 N C 1.863 177.350 175.510 -0.039 0.000 1.024 209 N CA 1.761 54.783 53.050 -0.048 0.000 0.853 209 N CB -0.276 38.143 38.487 -0.113 0.000 1.008 209 N HN 0.496 nan 8.380 nan 0.000 0.424 210 M N 0.192 119.782 119.600 -0.017 0.000 2.099 210 M HA -0.126 4.354 4.480 0.000 0.000 0.262 210 M C 2.140 178.574 176.300 0.223 0.000 1.067 210 M CA 1.150 56.498 55.300 0.081 0.000 1.124 210 M CB -0.179 32.552 32.600 0.217 0.000 1.353 210 M HN 0.013 nan 8.290 nan 0.000 0.410 211 V N 0.292 120.318 119.914 0.187 0.000 2.343 211 V HA -0.258 3.862 4.120 0.000 0.000 0.247 211 V C 2.268 178.474 176.094 0.187 0.000 1.051 211 V CA 2.187 64.604 62.300 0.194 0.000 1.036 211 V CB -0.721 31.195 31.823 0.156 0.000 0.654 211 V HN 0.444 nan 8.190 nan 0.000 0.451 212 E N 0.539 120.831 120.200 0.154 0.000 2.058 212 E HA -0.209 4.141 4.350 0.000 0.000 0.194 212 E C 2.195 178.910 176.600 0.192 0.000 0.997 212 E CA 2.245 58.740 56.400 0.158 0.000 0.801 212 E CB -0.557 29.220 29.700 0.128 0.000 0.746 212 E HN 0.604 nan 8.360 nan 0.000 0.450 213 T N 0.878 115.541 114.554 0.181 0.000 2.720 213 T HA -0.131 4.219 4.350 0.000 0.000 0.268 213 T C 1.859 176.797 174.700 0.398 0.000 1.037 213 T CA 1.462 63.715 62.100 0.256 0.000 1.144 213 T CB -0.277 68.695 68.868 0.174 0.000 0.864 213 T HN 0.128 nan 8.240 nan 0.000 0.444 214 L N 0.569 122.025 121.223 0.388 0.000 2.056 214 L HA -0.052 4.288 4.340 0.000 0.000 0.207 214 L C 2.995 180.055 176.870 0.317 0.000 1.078 214 L CA 1.141 56.191 54.840 0.349 0.000 0.749 214 L CB -0.564 41.678 42.059 0.306 0.000 0.901 214 L HN 0.113 nan 8.230 nan 0.000 0.433 215 R N 1.129 121.797 120.500 0.281 0.000 2.091 215 R HA -0.166 4.174 4.340 0.000 0.000 0.238 215 R C 2.187 178.691 176.300 0.340 0.000 1.136 215 R CA 1.683 57.954 56.100 0.285 0.000 0.959 215 R CB -0.555 29.890 30.300 0.242 0.000 0.856 215 R HN 0.357 nan 8.270 nan 0.000 0.437 216 L N -0.281 121.142 121.223 0.334 0.000 2.046 216 L HA -0.076 4.264 4.340 0.000 0.000 0.208 216 L C 2.670 179.814 176.870 0.455 0.000 1.077 216 L CA 1.484 56.553 54.840 0.382 0.000 0.747 216 L CB -0.857 41.413 42.059 0.351 0.000 0.896 216 L HN 0.379 nan 8.230 nan 0.000 0.432 217 G N -0.742 108.336 108.800 0.463 0.000 2.442 217 G HA2 -0.298 3.662 3.960 0.000 0.000 0.219 217 G HA3 -0.298 3.662 3.960 0.000 0.000 0.219 217 G C 1.400 176.307 174.900 0.011 0.000 1.141 217 G CA 0.353 45.531 45.100 0.128 0.000 0.763 217 G HN 0.490 nan 8.290 nan 0.000 0.554 218 W N 1.649 122.956 121.300 0.011 0.000 2.333 218 W HA -0.144 4.517 4.660 0.001 0.000 0.316 218 W C 2.379 178.886 176.519 -0.020 0.000 1.215 218 W CA 1.758 59.096 57.345 -0.013 0.000 1.278 218 W CB -0.485 28.995 29.460 0.033 0.000 1.154 218 W HN 0.292 nan 8.180 nan 0.000 0.486 219 S N 0.423 116.249 115.700 0.209 0.000 2.399 219 S HA -0.252 4.218 4.470 0.000 0.000 0.231 219 S C 1.383 175.948 174.600 -0.058 0.000 1.022 219 S CA 1.836 60.128 58.200 0.153 0.000 0.983 219 S CB -0.422 62.942 63.200 0.273 0.000 0.803 219 S HN 0.302 nan 8.310 nan 0.000 0.480 220 E N 2.027 122.119 120.200 -0.180 0.000 2.338 220 E HA -0.122 4.228 4.350 0.000 0.000 0.197 220 E C 0.596 176.608 176.600 -0.979 0.000 1.007 220 E CA 0.533 56.619 56.400 -0.523 0.000 0.849 220 E CB -0.298 29.205 29.700 -0.329 0.000 0.774 220 E HN 0.331 nan 8.360 nan 0.000 0.506 221 N N -0.538 117.752 118.700 -0.684 0.000 2.754 221 N HA -0.190 4.550 4.740 0.000 0.000 0.248 221 N C -1.173 174.049 175.510 -0.480 0.000 1.093 221 N CA 0.598 53.306 53.050 -0.570 0.000 0.699 221 N CB -1.725 36.505 38.487 -0.427 0.000 1.016 221 N HN 0.270 nan 8.380 nan 0.000 0.552 222 L N 0.141 121.059 121.223 -0.507 0.000 2.485 222 L HA 0.168 4.508 4.340 0.000 0.000 0.275 222 L C -1.211 175.444 176.870 -0.357 0.000 1.207 222 L CA -1.154 53.404 54.840 -0.470 0.000 0.855 222 L CB -0.008 41.716 42.059 -0.558 0.000 1.114 222 L HN 0.110 nan 8.230 nan 0.000 0.485 223 P HA -0.043 nan 4.420 nan 0.000 0.265 223 P C 0.794 177.972 177.300 -0.205 0.000 1.187 223 P CA 0.071 63.039 63.100 -0.219 0.000 0.766 223 P CB 0.497 32.087 31.700 -0.182 0.000 0.820 224 L N 1.784 122.918 121.223 -0.147 0.000 2.127 224 L HA -0.205 4.135 4.340 0.000 0.000 0.211 224 L C 2.256 179.063 176.870 -0.105 0.000 1.089 224 L CA 2.078 56.865 54.840 -0.089 0.000 0.757 224 L CB -0.939 41.106 42.059 -0.023 0.000 0.899 224 L HN 0.468 nan 8.230 nan 0.000 0.434 225 S N -0.932 114.701 115.700 -0.111 0.000 2.469 225 S HA -0.203 4.267 4.470 0.000 0.000 0.238 225 S C 1.662 176.128 174.600 -0.224 0.000 0.998 225 S CA 0.890 59.023 58.200 -0.112 0.000 0.957 225 S CB -0.140 63.016 63.200 -0.075 0.000 0.764 225 S HN 0.564 nan 8.310 nan 0.000 0.514 226 Q N -0.657 118.976 119.800 -0.277 0.000 2.217 226 Q HA 0.377 4.717 4.340 0.000 0.000 0.217 226 Q C 1.437 177.166 176.000 -0.452 0.000 0.844 226 Q CA -0.121 55.457 55.803 -0.375 0.000 0.957 226 Q CB 0.310 28.862 28.738 -0.311 0.000 1.127 226 Q HN 0.487 nan 8.270 nan 0.000 0.503 227 L N -0.082 120.922 121.223 -0.366 0.000 2.115 227 L HA 0.277 4.617 4.340 0.000 0.000 0.200 227 L C 0.568 177.189 176.870 -0.414 0.000 1.094 227 L CA 1.721 56.396 54.840 -0.276 0.000 0.769 227 L CB 0.001 42.007 42.059 -0.089 0.000 0.931 227 L HN -0.047 nan 8.230 nan 0.000 0.455 228 A N -2.252 120.375 122.820 -0.321 0.000 3.176 228 A HA 0.307 4.628 4.320 0.000 0.000 0.265 228 A C -0.703 176.913 177.584 0.053 0.000 0.936 228 A CA -0.423 51.469 52.037 -0.242 0.000 1.033 228 A CB -0.706 18.317 19.000 0.038 0.000 1.158 228 A HN 0.496 nan 8.150 nan 0.000 0.485 229 W N -0.279 120.942 121.300 -0.133 0.000 5.538 229 W HA -0.293 4.367 4.660 0.000 0.000 0.377 229 W C 1.203 177.684 176.519 -0.063 0.000 1.406 229 W CA 1.267 58.551 57.345 -0.102 0.000 0.940 229 W CB -2.056 27.332 29.460 -0.120 0.000 2.536 229 W HN 1.695 nan 8.180 nan 0.000 1.504 230 G N -1.061 107.774 108.800 0.058 0.000 2.184 230 G HA2 -0.388 3.572 3.960 0.000 0.000 0.264 230 G HA3 -0.388 3.572 3.960 0.000 0.000 0.264 230 G C 1.192 176.134 174.900 0.070 0.000 0.975 230 G CA 0.771 45.903 45.100 0.053 0.000 0.642 230 G HN 0.262 nan 8.290 nan 0.000 0.536 231 K N -0.288 120.169 120.400 0.095 0.000 2.365 231 K HA 0.294 4.614 4.320 0.000 0.000 0.197 231 K C 1.119 177.759 176.600 0.067 0.000 1.042 231 K CA 0.477 56.812 56.287 0.080 0.000 0.987 231 K CB 0.483 33.041 32.500 0.097 0.000 0.779 231 K HN 0.551 nan 8.250 nan 0.000 0.484 232 I N 0.389 121.008 120.570 0.080 0.000 2.389 232 I HA 0.176 4.346 4.170 0.000 0.000 0.288 232 I C 0.377 176.587 176.117 0.155 0.000 0.999 232 I CA -0.388 60.960 61.300 0.080 0.000 1.129 232 I CB 1.994 40.041 38.000 0.078 0.000 1.288 232 I HN -0.138 nan 8.210 nan 0.000 0.444 233 A N 5.638 128.536 122.820 0.130 0.000 2.498 233 A HA 0.264 4.584 4.320 0.000 0.000 0.238 233 A C 0.223 177.973 177.584 0.276 0.000 1.225 233 A CA -0.007 52.161 52.037 0.219 0.000 0.978 233 A CB 0.446 19.517 19.000 0.118 0.000 1.142 233 A HN 0.717 nan 8.150 nan 0.000 0.552 234 Q N -2.316 117.493 119.800 0.015 0.000 2.456 234 Q HA 0.772 5.112 4.340 0.000 0.000 0.283 234 Q C 0.498 176.079 176.000 -0.698 0.000 1.084 234 Q CA -0.399 55.336 55.803 -0.113 0.000 0.801 234 Q CB 1.845 30.561 28.738 -0.037 0.000 1.434 234 Q HN 0.123 nan 8.270 nan 0.000 0.419 235 A N 1.404 123.815 122.820 -0.682 0.000 1.940 235 A HA -0.225 4.096 4.320 0.000 0.000 0.219 235 A C 2.109 179.371 177.584 -0.537 0.000 1.176 235 A CA 2.277 53.785 52.037 -0.882 0.000 0.631 235 A CB -1.011 17.787 19.000 -0.337 0.000 0.814 235 A HN 0.907 nan 8.150 nan 0.000 0.446 236 S N -0.384 115.127 115.700 -0.315 0.000 2.400 236 S HA -0.276 4.194 4.470 0.000 0.000 0.232 236 S C 1.853 176.336 174.600 -0.196 0.000 1.025 236 S CA 1.533 59.611 58.200 -0.204 0.000 0.993 236 S CB -0.545 62.580 63.200 -0.124 0.000 0.808 236 S HN 0.709 nan 8.310 nan 0.000 0.478 237 Q N 0.069 119.726 119.800 -0.238 0.000 2.172 237 Q HA 0.075 4.415 4.340 0.000 0.000 0.200 237 Q C 2.031 177.931 176.000 -0.167 0.000 0.964 237 Q CA 0.997 56.699 55.803 -0.169 0.000 0.855 237 Q CB -0.202 28.448 28.738 -0.147 0.000 0.918 237 Q HN 0.517 nan 8.270 nan 0.000 0.444 238 I N 0.367 120.762 120.570 -0.292 0.000 2.233 238 I HA -0.196 3.974 4.170 0.000 0.000 0.243 238 I C 2.105 178.154 176.117 -0.114 0.000 1.093 238 I CA 1.390 62.571 61.300 -0.199 0.000 1.380 238 I CB -1.347 36.458 38.000 -0.324 0.000 1.067 238 I HN 0.185 nan 8.210 nan 0.000 0.413 239 T N 1.717 116.172 114.554 -0.166 0.000 2.699 239 T HA -0.203 4.148 4.350 0.000 0.000 0.268 239 T C 1.976 176.654 174.700 -0.037 0.000 1.036 239 T CA 1.774 63.814 62.100 -0.101 0.000 1.147 239 T CB -0.371 68.412 68.868 -0.141 0.000 0.862 239 T HN 0.473 nan 8.240 nan 0.000 0.446 240 A N 0.743 123.537 122.820 -0.044 0.000 2.070 240 A HA 0.069 4.390 4.320 0.000 0.000 0.220 240 A C 2.167 179.769 177.584 0.030 0.000 1.159 240 A CA 1.024 53.057 52.037 -0.007 0.000 0.656 240 A CB -0.646 18.345 19.000 -0.015 0.000 0.800 240 A HN 0.535 nan 8.150 nan 0.000 0.453 241 L N -1.001 120.245 121.223 0.039 0.000 2.446 241 L HA 0.069 4.409 4.340 0.000 0.000 0.219 241 L C 2.023 178.949 176.870 0.093 0.000 1.116 241 L CA 0.110 54.999 54.840 0.082 0.000 0.844 241 L CB -0.289 41.831 42.059 0.101 0.000 0.970 241 L HN 0.316 nan 8.230 nan 0.000 0.457 242 L N 0.319 121.589 121.223 0.078 0.000 2.275 242 L HA -0.091 4.249 4.340 0.000 0.000 0.215 242 L C 0.481 177.398 176.870 0.079 0.000 1.119 242 L CA 1.084 55.977 54.840 0.089 0.000 0.790 242 L CB -1.884 40.238 42.059 0.105 0.000 0.919 242 L HN 0.092 nan 8.230 nan 0.000 0.443 243 P HA -0.177 nan 4.420 nan 0.000 0.217 243 P C 1.851 179.207 177.300 0.093 0.000 1.148 243 P CA 1.642 64.788 63.100 0.077 0.000 0.828 243 P CB -0.168 31.579 31.700 0.078 0.000 0.783 244 L N -2.055 119.234 121.223 0.111 0.000 2.141 244 L HA -0.104 4.236 4.340 0.000 0.000 0.209 244 L C 2.700 179.618 176.870 0.080 0.000 1.094 244 L CA 0.928 55.834 54.840 0.111 0.000 0.763 244 L CB -0.453 41.684 42.059 0.130 0.000 0.908 244 L HN 0.125 nan 8.230 nan 0.000 0.437 245 L N -0.793 120.485 121.223 0.091 0.000 2.072 245 L HA -0.127 4.213 4.340 0.000 0.000 0.205 245 L C 2.458 179.406 176.870 0.130 0.000 1.079 245 L CA 1.902 56.811 54.840 0.116 0.000 0.752 245 L CB -0.648 41.466 42.059 0.091 0.000 0.906 245 L HN 0.102 nan 8.230 nan 0.000 0.436 246 T N -0.735 113.850 114.554 0.051 0.000 2.684 246 T HA -0.246 4.104 4.350 0.000 0.000 0.267 246 T C 1.723 176.466 174.700 0.071 0.000 1.036 246 T CA 1.722 63.835 62.100 0.022 0.000 1.148 246 T CB -0.154 68.710 68.868 -0.008 0.000 0.863 246 T HN 0.374 nan 8.240 nan 0.000 0.436 247 E N 1.433 121.675 120.200 0.069 0.000 2.058 247 E HA -0.134 4.216 4.350 0.000 0.000 0.194 247 E C 2.158 178.776 176.600 0.030 0.000 0.997 247 E CA 1.271 57.708 56.400 0.061 0.000 0.801 247 E CB -0.345 29.409 29.700 0.090 0.000 0.746 247 E HN 0.467 nan 8.360 nan 0.000 0.450 248 N N -1.290 117.421 118.700 0.017 0.000 2.120 248 N HA -0.193 4.548 4.740 0.000 0.000 0.188 248 N C 1.632 177.125 175.510 -0.029 0.000 1.024 248 N CA 1.151 54.175 53.050 -0.044 0.000 0.852 248 N CB -0.150 38.299 38.487 -0.065 0.000 1.003 248 N HN 0.214 nan 8.380 nan 0.000 0.424 249 Y N 1.849 122.109 120.300 -0.068 0.000 2.128 249 Y HA -0.186 4.364 4.550 0.000 0.000 0.284 249 Y C 2.217 178.074 175.900 -0.070 0.000 1.154 249 Y CA 1.441 59.499 58.100 -0.070 0.000 1.149 249 Y CB -0.524 37.886 38.460 -0.084 0.000 0.976 249 Y HN 0.104 nan 8.280 nan 0.000 0.505 250 D N -0.200 120.249 120.400 0.081 0.000 2.203 250 D HA -0.175 4.465 4.640 0.000 0.000 0.199 250 D C 1.517 177.817 176.300 -0.001 0.000 0.997 250 D CA 1.457 55.471 54.000 0.023 0.000 0.863 250 D CB -0.256 40.556 40.800 0.020 0.000 0.928 250 D HN 0.336 nan 8.370 nan 0.000 0.458 251 L N -0.280 120.931 121.223 -0.020 0.000 2.728 251 L HA 0.156 4.497 4.340 0.000 0.000 0.238 251 L C 1.372 178.203 176.870 -0.064 0.000 1.143 251 L CA -0.119 54.700 54.840 -0.034 0.000 0.937 251 L CB 0.205 42.243 42.059 -0.035 0.000 1.225 251 L HN -0.004 nan 8.230 nan 0.000 0.507 252 S N -1.815 113.826 115.700 -0.099 0.000 3.669 252 S HA 0.141 4.612 4.470 0.000 0.000 0.171 252 S C 1.252 175.778 174.600 -0.123 0.000 0.855 252 S CA -0.305 57.817 58.200 -0.131 0.000 1.037 252 S CB -0.072 63.001 63.200 -0.213 0.000 1.477 252 S HN 0.101 nan 8.310 nan 0.000 0.854 253 N N 2.538 121.115 118.700 -0.205 0.000 2.289 253 N HA -0.029 4.711 4.740 0.000 0.000 0.184 253 N C 0.208 175.687 175.510 -0.053 0.000 1.016 253 N CA 1.338 54.306 53.050 -0.136 0.000 0.872 253 N CB -0.462 37.910 38.487 -0.192 0.000 0.973 253 N HN 0.528 nan 8.380 nan 0.000 0.433 254 D N 0.451 120.831 120.400 -0.033 0.000 2.340 254 D HA 0.077 4.717 4.640 0.000 0.000 0.217 254 D C -0.056 176.238 176.300 -0.011 0.000 1.081 254 D CA -0.011 53.981 54.000 -0.014 0.000 0.842 254 D CB 0.602 41.397 40.800 -0.008 0.000 0.934 254 D HN -0.064 nan 8.370 nan 0.000 0.511 255 V N 2.287 122.197 119.914 -0.006 0.000 2.479 255 V HA -0.062 4.059 4.120 0.000 0.000 0.281 255 V C 1.691 177.805 176.094 0.033 0.000 1.031 255 V CA -0.238 62.074 62.300 0.021 0.000 1.038 255 V CB 1.342 33.187 31.823 0.037 0.000 0.981 255 V HN 0.025 nan 8.190 nan 0.000 0.478 256 L N 5.973 127.222 121.223 0.043 0.000 1.990 256 L HA -0.208 4.132 4.340 0.000 0.000 0.213 256 L C 2.002 178.900 176.870 0.046 0.000 1.072 256 L CA 2.397 57.261 54.840 0.039 0.000 0.755 256 L CB -1.010 41.078 42.059 0.048 0.000 0.889 256 L HN 0.791 nan 8.230 nan 0.000 0.432 257 Y N 0.066 120.362 120.300 -0.006 0.000 2.069 257 Y HA -0.345 4.205 4.550 0.000 0.000 0.278 257 Y C 2.448 178.344 175.900 -0.006 0.000 1.175 257 Y CA 2.701 60.798 58.100 -0.005 0.000 1.134 257 Y CB -0.939 37.517 38.460 -0.007 0.000 0.965 257 Y HN 0.260 nan 8.280 nan 0.000 0.498 258 T N 0.735 115.226 114.554 -0.106 0.000 2.746 258 T HA -0.163 4.187 4.350 0.000 0.000 0.267 258 T C 2.108 176.702 174.700 -0.177 0.000 1.039 258 T CA 1.523 63.517 62.100 -0.177 0.000 1.142 258 T CB -0.816 68.040 68.868 -0.019 0.000 0.866 258 T HN 0.516 nan 8.240 nan 0.000 0.444 259 A N 1.244 124.003 122.820 -0.102 0.000 1.933 259 A HA -0.149 4.171 4.320 0.000 0.000 0.218 259 A C 2.283 179.811 177.584 -0.094 0.000 1.175 259 A CA 1.441 53.436 52.037 -0.071 0.000 0.628 259 A CB -0.591 18.389 19.000 -0.034 0.000 0.814 259 A HN 0.534 nan 8.150 nan 0.000 0.444 260 Q N -0.568 119.154 119.800 -0.130 0.000 2.046 260 Q HA -0.150 4.191 4.340 0.000 0.000 0.200 260 Q C 1.989 177.889 176.000 -0.168 0.000 0.975 260 Q CA 1.356 57.083 55.803 -0.127 0.000 0.836 260 Q CB -0.132 28.540 28.738 -0.109 0.000 0.896 260 Q HN 0.389 nan 8.270 nan 0.000 0.428 261 K N 0.519 120.742 120.400 -0.295 0.000 2.057 261 K HA -0.070 4.250 4.320 0.000 0.000 0.206 261 K C 1.863 178.380 176.600 -0.138 0.000 1.050 261 K CA 1.265 57.398 56.287 -0.257 0.000 0.935 261 K CB -0.031 32.221 32.500 -0.414 0.000 0.715 261 K HN 0.162 nan 8.250 nan 0.000 0.439 262 R N -1.124 119.303 120.500 -0.121 0.000 2.308 262 R HA 0.105 4.445 4.340 0.000 0.000 0.202 262 R C 1.761 178.049 176.300 -0.020 0.000 0.898 262 R CA 0.526 56.595 56.100 -0.052 0.000 1.046 262 R CB 0.603 30.879 30.300 -0.040 0.000 1.026 262 R HN 0.184 nan 8.270 nan 0.000 0.512 263 G N -0.757 108.024 108.800 -0.032 0.000 2.944 263 G HA2 -0.036 3.924 3.960 0.000 0.000 0.220 263 G HA3 -0.036 3.924 3.960 0.000 0.000 0.220 263 G C 1.077 175.966 174.900 -0.018 0.000 1.100 263 G CA -0.165 44.932 45.100 -0.005 0.000 0.780 263 G HN 0.045 nan 8.290 nan 0.000 0.539 264 S N 0.293 115.969 115.700 -0.040 0.000 2.382 264 S HA -0.137 4.333 4.470 0.000 0.000 0.228 264 S C 2.372 176.944 174.600 -0.046 0.000 1.027 264 S CA 1.164 59.339 58.200 -0.041 0.000 0.991 264 S CB -0.168 63.004 63.200 -0.048 0.000 0.823 264 S HN 0.186 nan 8.310 nan 0.000 0.469 265 V N 1.507 121.386 119.914 -0.058 0.000 2.407 265 V HA -0.110 4.010 4.120 0.000 0.000 0.248 265 V C 1.990 178.035 176.094 -0.083 0.000 1.055 265 V CA 1.581 63.832 62.300 -0.082 0.000 1.049 265 V CB -0.253 31.502 31.823 -0.114 0.000 0.662 265 V HN 0.436 nan 8.190 nan 0.000 0.455 266 L N -0.569 120.619 121.223 -0.058 0.000 2.102 266 L HA 0.064 4.404 4.340 0.000 0.000 0.202 266 L C 2.128 178.994 176.870 -0.006 0.000 1.076 266 L CA 2.124 56.943 54.840 -0.035 0.000 0.761 266 L CB -0.788 41.290 42.059 0.032 0.000 0.921 266 L HN 0.365 nan 8.230 nan 0.000 0.444 267 L N 0.250 121.472 121.223 -0.002 0.000 2.046 267 L HA -0.211 4.129 4.340 0.000 0.000 0.208 267 L C 2.258 179.113 176.870 -0.025 0.000 1.077 267 L CA 2.097 56.933 54.840 -0.007 0.000 0.747 267 L CB -1.138 40.912 42.059 -0.014 0.000 0.896 267 L HN 0.499 nan 8.230 nan 0.000 0.432 268 N N -0.172 118.507 118.700 -0.035 0.000 2.061 268 N HA -0.208 4.532 4.740 0.000 0.000 0.193 268 N C 1.820 177.308 175.510 -0.036 0.000 1.030 268 N CA 1.839 54.865 53.050 -0.039 0.000 0.856 268 N CB -0.318 38.142 38.487 -0.045 0.000 1.023 268 N HN 0.509 nan 8.380 nan 0.000 0.424 269 A N 0.160 122.955 122.820 -0.042 0.000 1.902 269 A HA -0.127 4.194 4.320 0.000 0.000 0.217 269 A C 2.292 179.870 177.584 -0.010 0.000 1.181 269 A CA 1.538 53.551 52.037 -0.039 0.000 0.623 269 A CB -0.544 18.417 19.000 -0.066 0.000 0.818 269 A HN 0.416 nan 8.150 nan 0.000 0.443 270 M N -0.752 118.850 119.600 0.003 0.000 2.099 270 M HA -0.050 4.431 4.480 0.000 0.000 0.262 270 M C 2.100 178.408 176.300 0.013 0.000 1.067 270 M CA 1.287 56.602 55.300 0.025 0.000 1.124 270 M CB -0.443 32.178 32.600 0.035 0.000 1.353 270 M HN 0.358 nan 8.290 nan 0.000 0.410 271 L N -0.261 120.954 121.223 -0.014 0.000 2.046 271 L HA -0.228 4.112 4.340 0.000 0.000 0.208 271 L C 1.950 178.829 176.870 0.014 0.000 1.077 271 L CA 0.951 55.774 54.840 -0.028 0.000 0.747 271 L CB -0.818 41.200 42.059 -0.068 0.000 0.896 271 L HN 0.256 nan 8.230 nan 0.000 0.432 272 D N 0.224 120.629 120.400 0.009 0.000 2.144 272 D HA -0.132 4.509 4.640 0.000 0.000 0.199 272 D C 2.148 178.470 176.300 0.037 0.000 0.984 272 D CA 1.451 55.464 54.000 0.022 0.000 0.834 272 D CB -0.279 40.519 40.800 -0.004 0.000 0.955 272 D HN 0.335 nan 8.370 nan 0.000 0.465 273 G N 0.181 109.000 108.800 0.032 0.000 2.443 273 G HA2 -0.158 3.803 3.960 0.000 0.000 0.219 273 G HA3 -0.158 3.803 3.960 0.000 0.000 0.219 273 G C 1.563 176.504 174.900 0.068 0.000 1.131 273 G CA 0.350 45.474 45.100 0.040 0.000 0.775 273 G HN 0.298 nan 8.290 nan 0.000 0.547 274 V N -0.199 119.777 119.914 0.104 0.000 3.506 274 V HA 0.282 4.402 4.120 0.000 0.000 0.263 274 V C 1.091 177.339 176.094 0.255 0.000 1.203 274 V CA 0.202 62.599 62.300 0.162 0.000 1.133 274 V CB -0.287 31.641 31.823 0.176 0.000 0.802 274 V HN 0.179 nan 8.190 nan 0.000 0.459 275 K N 1.499 122.047 120.400 0.247 0.000 2.258 275 K HA 0.275 4.595 4.320 0.000 0.000 0.264 275 K C -2.346 174.277 176.600 0.038 0.000 1.007 275 K CA -1.491 54.936 56.287 0.233 0.000 0.941 275 K CB 0.384 33.012 32.500 0.214 0.000 0.966 275 K HN 0.163 nan 8.250 nan 0.000 0.480 276 P HA -0.043 nan 4.420 nan 0.000 0.270 276 P C -0.730 176.553 177.300 -0.028 0.000 1.223 276 P CA 0.313 63.372 63.100 -0.068 0.000 0.785 276 P CB 0.444 32.078 31.700 -0.110 0.000 0.923 277 E N -3.089 117.092 120.200 -0.032 0.000 3.763 277 E HA -0.206 4.144 4.350 0.000 0.000 0.319 277 E C 0.159 176.744 176.600 -0.025 0.000 0.804 277 E CA 1.133 57.517 56.400 -0.027 0.000 1.196 277 E CB -2.635 27.052 29.700 -0.022 0.000 1.607 277 E HN 0.604 nan 8.360 nan 0.000 0.431 278 A N 0.860 123.668 122.820 -0.020 0.000 2.483 278 A HA 0.413 4.733 4.320 0.000 0.000 0.238 278 A C 0.562 178.117 177.584 -0.048 0.000 1.070 278 A CA 0.787 52.809 52.037 -0.025 0.000 0.770 278 A CB 0.710 19.705 19.000 -0.009 0.000 1.008 278 A HN 0.258 nan 8.150 nan 0.000 0.497 279 S N 2.696 118.355 115.700 -0.069 0.000 2.454 279 S HA 0.671 5.141 4.470 0.000 0.000 0.306 279 S C -2.398 172.110 174.600 -0.152 0.000 1.100 279 S CA -1.442 56.693 58.200 -0.108 0.000 1.087 279 S CB 0.924 64.057 63.200 -0.111 0.000 1.019 279 S HN 0.656 nan 8.310 nan 0.000 0.480 280 P HA 0.239 nan 4.420 nan 0.000 0.276 280 P C -0.917 176.322 177.300 -0.103 0.000 1.244 280 P CA -0.634 62.345 63.100 -0.201 0.000 0.801 280 P CB 0.366 31.867 31.700 -0.331 0.000 1.006 281 N N 1.331 119.983 118.700 -0.078 0.000 2.605 281 N HA 0.225 4.965 4.740 0.000 0.000 0.258 281 N C -0.618 174.879 175.510 -0.022 0.000 1.156 281 N CA -0.201 52.823 53.050 -0.044 0.000 1.008 281 N CB -0.884 37.578 38.487 -0.042 0.000 1.354 281 N HN 0.232 nan 8.380 nan 0.000 0.509 282 V N 1.207 121.122 119.914 0.001 0.000 3.040 282 V HA 0.610 4.730 4.120 0.000 0.000 0.312 282 V C 1.089 177.215 176.094 0.053 0.000 1.115 282 V CA -0.949 61.374 62.300 0.039 0.000 0.998 282 V CB 2.088 33.959 31.823 0.080 0.000 1.042 282 V HN 0.193 nan 8.190 nan 0.000 0.433 283 R N 0.330 120.876 120.500 0.077 0.000 2.119 283 R HA 0.096 4.436 4.340 0.000 0.000 0.222 283 R C -0.199 176.173 176.300 0.120 0.000 1.088 283 R CA 0.978 57.112 56.100 0.058 0.000 0.984 283 R CB -0.015 30.318 30.300 0.055 0.000 0.884 283 R HN 0.837 nan 8.270 nan 0.000 0.447 284 W N 0.769 122.049 121.300 -0.034 0.000 2.884 284 W HA 0.345 5.005 4.660 0.000 0.000 0.336 284 W C -1.778 174.775 176.519 0.056 0.000 1.038 284 W CA -2.237 55.094 57.345 -0.023 0.000 1.247 284 W CB 0.525 29.985 29.460 -0.001 0.000 1.351 284 W HN -0.208 nan 8.180 nan 0.000 0.446 285 L N 7.962 129.388 121.223 0.338 0.000 2.272 285 L HA 0.620 4.960 4.340 0.000 0.000 0.289 285 L C -1.455 175.528 176.870 0.189 0.000 1.032 285 L CA -0.637 54.324 54.840 0.202 0.000 0.810 285 L CB 1.129 43.295 42.059 0.178 0.000 1.205 285 L HN 0.335 nan 8.230 nan 0.000 0.422 286 L N 6.542 127.773 121.223 0.013 0.000 2.343 286 L HA 0.607 4.947 4.340 0.000 0.000 0.278 286 L C -1.569 175.330 176.870 0.047 0.000 0.996 286 L CA -0.224 54.606 54.840 -0.016 0.000 0.831 286 L CB 1.342 43.198 42.059 -0.338 0.000 1.232 286 L HN 0.548 nan 8.230 nan 0.000 0.413 287 L N 5.927 127.221 121.223 0.119 0.000 2.322 287 L HA 0.726 5.067 4.340 0.000 0.000 0.281 287 L C -0.880 176.012 176.870 0.037 0.000 1.014 287 L CA -0.991 53.953 54.840 0.172 0.000 0.815 287 L CB 1.978 44.222 42.059 0.309 0.000 1.247 287 L HN 0.298 nan 8.230 nan 0.000 0.421 288 V N 2.341 122.195 119.914 -0.100 0.000 2.443 288 V HA 0.847 4.967 4.120 0.000 0.000 0.293 288 V C 0.078 175.858 176.094 -0.524 0.000 1.021 288 V CA -0.117 62.050 62.300 -0.222 0.000 0.848 288 V CB 1.169 32.900 31.823 -0.154 0.000 0.998 288 V HN 1.029 nan 8.190 nan 0.000 0.424 289 A N 4.004 126.511 122.820 -0.520 0.000 4.367 289 A HA 0.797 5.117 4.320 0.000 0.000 0.174 289 A C -0.759 176.460 177.584 -0.608 0.000 0.690 289 A CA -0.427 51.161 52.037 -0.748 0.000 0.856 289 A CB 1.170 19.712 19.000 -0.764 0.000 1.848 289 A HN 0.726 nan 8.150 nan 0.000 0.887 290 H N 0.017 119.055 119.070 -0.054 0.000 2.771 290 H HA 0.281 4.837 4.556 0.000 0.000 0.367 290 H C -0.212 175.126 175.328 0.017 0.000 1.172 290 H CA 0.144 56.207 56.048 0.025 0.000 1.186 290 H CB 1.415 31.236 29.762 0.100 0.000 1.790 290 H HN 0.759 nan 8.280 nan 0.000 0.556 291 D N 0.202 120.679 120.400 0.129 0.000 2.182 291 D HA -0.151 4.489 4.640 0.000 0.000 0.201 291 D C 1.338 177.780 176.300 0.235 0.000 0.986 291 D CA 1.372 55.465 54.000 0.155 0.000 0.847 291 D CB -0.792 40.109 40.800 0.169 0.000 0.942 291 D HN 0.398 nan 8.370 nan 0.000 0.467 292 T N 0.703 115.384 114.554 0.211 0.000 2.665 292 T HA -0.208 4.142 4.350 0.000 0.000 0.268 292 T C 1.589 176.372 174.700 0.138 0.000 1.035 292 T CA 2.045 64.223 62.100 0.131 0.000 1.151 292 T CB -0.610 68.298 68.868 0.067 0.000 0.862 292 T HN 0.336 nan 8.240 nan 0.000 0.438 293 N N 0.757 119.563 118.700 0.177 0.000 2.084 293 N HA 0.043 4.783 4.740 0.000 0.000 0.190 293 N C 1.849 177.456 175.510 0.160 0.000 1.030 293 N CA 0.985 54.145 53.050 0.184 0.000 0.849 293 N CB -0.345 38.297 38.487 0.259 0.000 1.012 293 N HN 0.330 nan 8.380 nan 0.000 0.423 294 I N 0.946 121.614 120.570 0.163 0.000 2.163 294 I HA -0.280 3.890 4.170 0.000 0.000 0.243 294 I C 2.413 178.616 176.117 0.143 0.000 1.085 294 I CA 1.024 62.425 61.300 0.169 0.000 1.347 294 I CB -0.431 37.682 38.000 0.189 0.000 1.044 294 I HN 0.188 nan 8.210 nan 0.000 0.408 295 A N 0.670 123.573 122.820 0.138 0.000 1.883 295 A HA -0.239 4.082 4.320 0.000 0.000 0.217 295 A C 2.368 179.980 177.584 0.046 0.000 1.186 295 A CA 1.805 53.897 52.037 0.092 0.000 0.624 295 A CB -0.605 18.549 19.000 0.257 0.000 0.822 295 A HN 0.345 nan 8.150 nan 0.000 0.444 296 M N -0.845 118.791 119.600 0.060 0.000 2.086 296 M HA -0.131 4.349 4.480 0.000 0.000 0.261 296 M C 2.141 178.461 176.300 0.032 0.000 1.067 296 M CA 1.427 56.745 55.300 0.029 0.000 1.116 296 M CB -0.484 32.131 32.600 0.026 0.000 1.348 296 M HN 0.260 nan 8.290 nan 0.000 0.407 297 V N 1.134 121.086 119.914 0.063 0.000 2.287 297 V HA -0.303 3.817 4.120 0.000 0.000 0.248 297 V C 2.385 178.523 176.094 0.073 0.000 1.053 297 V CA 2.451 64.792 62.300 0.069 0.000 1.027 297 V CB -0.957 30.927 31.823 0.101 0.000 0.646 297 V HN 0.541 nan 8.190 nan 0.000 0.447 298 R N 0.479 121.031 120.500 0.087 0.000 2.115 298 R HA -0.108 4.232 4.340 0.000 0.000 0.230 298 R C 1.994 178.304 176.300 0.016 0.000 1.111 298 R CA 1.964 58.116 56.100 0.087 0.000 0.976 298 R CB -1.749 28.535 30.300 -0.027 0.000 0.870 298 R HN 0.383 nan 8.270 nan 0.000 0.445 299 T N 1.554 116.093 114.554 -0.024 0.000 2.708 299 T HA -0.002 4.349 4.350 0.000 0.000 0.266 299 T C 1.706 176.413 174.700 0.012 0.000 1.037 299 T CA 1.633 63.721 62.100 -0.020 0.000 1.146 299 T CB -0.232 68.620 68.868 -0.027 0.000 0.865 299 T HN 0.135 nan 8.240 nan 0.000 0.435 300 L N 0.216 121.446 121.223 0.012 0.000 2.131 300 L HA -0.036 4.305 4.340 0.000 0.000 0.210 300 L C 2.528 179.405 176.870 0.012 0.000 1.092 300 L CA 1.183 56.028 54.840 0.008 0.000 0.759 300 L CB -0.551 41.505 42.059 -0.005 0.000 0.903 300 L HN 0.324 nan 8.230 nan 0.000 0.435 301 M N -1.050 118.563 119.600 0.022 0.000 2.557 301 M HA -0.126 4.355 4.480 0.000 0.000 0.259 301 M C 0.634 176.990 176.300 0.094 0.000 1.086 301 M CA 0.773 56.072 55.300 -0.003 0.000 1.096 301 M CB -0.431 32.166 32.600 -0.006 0.000 1.424 301 M HN 0.314 nan 8.290 nan 0.000 0.488 302 N N 0.508 119.284 118.700 0.126 0.000 2.740 302 N HA -0.209 4.531 4.740 0.000 0.000 0.248 302 N C -1.109 174.599 175.510 0.331 0.000 1.062 302 N CA -0.251 52.904 53.050 0.176 0.000 0.704 302 N CB -0.489 38.100 38.487 0.171 0.000 0.968 302 N HN 0.216 nan 8.380 nan 0.000 0.547 303 F N 1.419 121.439 119.950 0.116 0.000 2.402 303 F HA 0.577 5.104 4.527 0.000 0.000 0.355 303 F C -0.305 175.520 175.800 0.041 0.000 1.123 303 F CA -1.149 56.992 58.000 0.235 0.000 1.021 303 F CB 1.509 40.681 39.000 0.287 0.000 1.160 303 F HN -0.059 nan 8.300 nan 0.000 0.451 304 S N 6.350 122.111 115.700 0.102 0.000 2.503 304 S HA 0.829 5.299 4.470 0.000 0.000 0.301 304 S C -1.491 173.012 174.600 -0.162 0.000 1.087 304 S CA -0.348 57.675 58.200 -0.296 0.000 1.042 304 S CB 0.693 63.811 63.200 -0.137 0.000 1.043 304 S HN 0.662 nan 8.310 nan 0.000 0.489 305 W N 2.481 123.620 121.300 -0.267 0.000 3.031 305 W HA 0.741 5.401 4.660 0.000 0.000 0.337 305 W C -1.190 175.287 176.519 -0.071 0.000 1.187 305 W CA -0.879 56.377 57.345 -0.149 0.000 1.166 305 W CB 0.863 30.186 29.460 -0.228 0.000 1.437 305 W HN 0.628 nan 8.180 nan 0.000 0.551 306 Q N 2.362 122.353 119.800 0.318 0.000 2.309 306 Q HA 0.483 4.823 4.340 0.000 0.000 0.254 306 Q C -1.755 174.414 176.000 0.282 0.000 0.938 306 Q CA -0.478 55.483 55.803 0.263 0.000 0.789 306 Q CB 1.585 30.405 28.738 0.137 0.000 1.313 306 Q HN 0.741 nan 8.270 nan 0.000 0.438 307 L N 4.359 125.788 121.223 0.342 0.000 2.360 307 L HA 0.613 4.953 4.340 0.000 0.000 0.271 307 L C -2.063 174.967 176.870 0.266 0.000 1.057 307 L CA -2.412 52.609 54.840 0.302 0.000 0.803 307 L CB 1.129 43.400 42.059 0.352 0.000 1.207 307 L HN 0.533 nan 8.230 nan 0.000 0.445 308 P HA -0.005 nan 4.420 nan 0.000 0.260 308 P C 0.714 178.003 177.300 -0.018 0.000 1.172 308 P CA 0.909 64.052 63.100 0.072 0.000 0.760 308 P CB 0.470 32.199 31.700 0.048 0.000 0.773 309 G N 1.176 109.923 108.800 -0.089 0.000 2.179 309 G HA2 -0.251 3.709 3.960 0.000 0.000 0.260 309 G HA3 -0.251 3.709 3.960 0.000 0.000 0.260 309 G C -0.339 174.326 174.900 -0.393 0.000 0.977 309 G CA -0.231 44.708 45.100 -0.270 0.000 0.641 309 G HN 0.449 nan 8.290 nan 0.000 0.533 310 Y N 1.001 121.333 120.300 0.054 0.000 2.524 310 Y HA 0.664 5.214 4.550 0.000 0.000 0.344 310 Y C 0.887 176.820 175.900 0.055 0.000 1.012 310 Y CA -0.644 57.495 58.100 0.064 0.000 1.068 310 Y CB 1.813 40.340 38.460 0.113 0.000 1.249 310 Y HN 0.372 nan 8.280 nan 0.000 0.468 311 S N 1.356 117.188 115.700 0.219 0.000 2.655 311 S HA 0.379 4.849 4.470 0.000 0.000 0.265 311 S C 0.047 174.694 174.600 0.079 0.000 1.240 311 S CA -1.047 57.221 58.200 0.113 0.000 0.986 311 S CB 0.695 63.937 63.200 0.069 0.000 0.985 311 S HN 0.727 nan 8.310 nan 0.000 0.562 312 R N -0.090 120.415 120.500 0.009 0.000 2.504 312 R HA 0.304 4.645 4.340 0.000 0.000 0.291 312 R C 1.424 177.586 176.300 -0.229 0.000 0.974 312 R CA 1.278 57.328 56.100 -0.083 0.000 1.077 312 R CB -0.893 29.353 30.300 -0.090 0.000 0.926 312 R HN 1.327 nan 8.270 nan 0.000 0.407 313 G N 3.010 111.524 108.800 -0.477 0.000 2.184 313 G HA2 -0.360 3.600 3.960 0.000 0.000 0.264 313 G HA3 -0.360 3.600 3.960 0.000 0.000 0.264 313 G C 0.190 174.812 174.900 -0.462 0.000 0.975 313 G CA 0.330 44.887 45.100 -0.904 0.000 0.642 313 G HN 0.801 nan 8.290 nan 0.000 0.536 314 N N 0.357 118.977 118.700 -0.133 0.000 2.412 314 N HA 0.202 4.942 4.740 0.000 0.000 0.254 314 N C 0.101 175.610 175.510 -0.001 0.000 1.232 314 N CA 0.465 53.446 53.050 -0.116 0.000 0.880 314 N CB 0.092 38.563 38.487 -0.026 0.000 1.076 314 N HN 0.345 nan 8.380 nan 0.000 0.458 315 I N 5.303 125.810 120.570 -0.105 0.000 2.460 315 I HA 0.272 4.442 4.170 0.000 0.000 0.277 315 I C -2.182 173.934 176.117 -0.002 0.000 1.057 315 I CA -1.903 59.435 61.300 0.065 0.000 1.179 315 I CB 1.606 39.627 38.000 0.034 0.000 1.329 315 I HN 0.338 nan 8.210 nan 0.000 0.478 316 P HA 0.143 nan 4.420 nan 0.000 0.272 316 P C -2.424 174.861 177.300 -0.025 0.000 1.230 316 P CA -1.160 61.889 63.100 -0.084 0.000 0.788 316 P CB -0.182 31.397 31.700 -0.202 0.000 0.949 317 P HA -0.040 nan 4.420 nan 0.000 0.265 317 P C 0.799 178.092 177.300 -0.013 0.000 1.193 317 P CA 0.970 64.073 63.100 0.006 0.000 0.765 317 P CB 0.070 31.832 31.700 0.103 0.000 0.823 318 G N 1.957 110.726 108.800 -0.051 0.000 2.166 318 G HA2 -0.267 3.693 3.960 0.000 0.000 0.260 318 G HA3 -0.267 3.693 3.960 0.000 0.000 0.260 318 G C 0.380 175.222 174.900 -0.097 0.000 0.986 318 G CA 0.530 45.595 45.100 -0.059 0.000 0.683 318 G HN 0.886 nan 8.290 nan 0.000 0.527 319 S N -0.572 115.054 115.700 -0.124 0.000 2.614 319 S HA 0.793 5.263 4.470 0.000 0.000 0.265 319 S C 0.230 174.703 174.600 -0.212 0.000 1.303 319 S CA 0.670 58.715 58.200 -0.259 0.000 1.000 319 S CB 2.052 65.084 63.200 -0.281 0.000 0.935 319 S HN 2.003 nan 8.310 nan 0.000 0.551 320 S N 0.511 115.981 115.700 -0.383 0.000 2.550 320 S HA 0.626 5.096 4.470 0.000 0.000 0.270 320 S C -1.334 173.174 174.600 -0.153 0.000 1.145 320 S CA -0.986 57.124 58.200 -0.150 0.000 0.852 320 S CB 1.110 64.268 63.200 -0.069 0.000 1.119 320 S HN 0.883 nan 8.310 nan 0.000 0.465 321 L N 2.324 123.590 121.223 0.072 0.000 2.282 321 L HA 0.799 5.139 4.340 0.000 0.000 0.288 321 L C -1.179 175.661 176.870 -0.049 0.000 1.033 321 L CA -0.321 54.582 54.840 0.105 0.000 0.807 321 L CB 1.314 43.507 42.059 0.223 0.000 1.209 321 L HN 0.713 nan 8.230 nan 0.000 0.423 322 V N 6.167 125.927 119.914 -0.257 0.000 2.604 322 V HA 0.502 4.622 4.120 0.000 0.000 0.305 322 V C -0.324 175.614 176.094 -0.259 0.000 1.043 322 V CA -0.676 61.412 62.300 -0.352 0.000 0.888 322 V CB 1.855 33.227 31.823 -0.752 0.000 0.995 322 V HN 0.576 nan 8.190 nan 0.000 0.429 323 L N 4.015 125.190 121.223 -0.080 0.000 2.322 323 L HA 0.667 5.007 4.340 0.000 0.000 0.281 323 L C -0.270 176.644 176.870 0.073 0.000 1.014 323 L CA -0.441 54.402 54.840 0.006 0.000 0.815 323 L CB 1.841 43.910 42.059 0.016 0.000 1.247 323 L HN 0.616 nan 8.230 nan 0.000 0.421 324 E N 2.706 123.016 120.200 0.183 0.000 2.199 324 E HA 0.387 4.737 4.350 0.000 0.000 0.265 324 E C -0.990 175.770 176.600 0.266 0.000 0.882 324 E CA -0.841 55.670 56.400 0.186 0.000 0.759 324 E CB 2.871 32.793 29.700 0.370 0.000 1.148 324 E HN 0.363 nan 8.360 nan 0.000 0.412 325 R N 3.344 123.915 120.500 0.119 0.000 2.221 325 R HA 0.291 4.631 4.340 0.000 0.000 0.327 325 R C -1.338 174.975 176.300 0.023 0.000 1.033 325 R CA -0.304 55.912 56.100 0.193 0.000 0.887 325 R CB 0.605 30.957 30.300 0.086 0.000 1.057 325 R HN 0.450 nan 8.270 nan 0.000 0.455 326 W N 2.981 124.401 121.300 0.200 0.000 2.647 326 W HA 0.478 5.139 4.660 0.000 0.000 0.353 326 W C -0.092 176.618 176.519 0.319 0.000 1.080 326 W CA -0.747 56.733 57.345 0.225 0.000 1.208 326 W CB 1.403 30.971 29.460 0.179 0.000 1.396 326 W HN 0.368 nan 8.180 nan 0.000 0.573 327 R N 1.746 122.610 120.500 0.606 0.000 2.628 327 R HA 0.209 4.550 4.340 0.000 0.000 0.288 327 R C -1.125 175.471 176.300 0.494 0.000 0.980 327 R CA -0.678 55.705 56.100 0.472 0.000 0.891 327 R CB 1.242 31.674 30.300 0.220 0.000 1.188 327 R HN 0.381 nan 8.270 nan 0.000 0.450 328 D N 3.509 124.117 120.400 0.346 0.000 2.342 328 D HA 0.111 4.751 4.640 0.000 0.000 0.260 328 D C 0.528 176.759 176.300 -0.115 0.000 1.278 328 D CA 0.182 54.054 54.000 -0.214 0.000 0.910 328 D CB 1.501 42.178 40.800 -0.204 0.000 1.079 328 D HN 0.635 nan 8.370 nan 0.000 0.496 329 A N 4.751 127.479 122.820 -0.153 0.000 2.209 329 A HA -0.093 4.227 4.320 0.000 0.000 0.212 329 A C 1.713 179.244 177.584 -0.088 0.000 1.158 329 A CA 0.684 52.679 52.037 -0.070 0.000 0.742 329 A CB -0.133 18.841 19.000 -0.043 0.000 0.790 329 A HN 0.607 nan 8.150 nan 0.000 0.472 330 K N -0.081 120.233 120.400 -0.144 0.000 2.459 330 K HA 0.022 4.342 4.320 0.000 0.000 0.193 330 K C 1.194 177.756 176.600 -0.063 0.000 1.030 330 K CA 1.103 57.326 56.287 -0.108 0.000 1.026 330 K CB 0.109 32.523 32.500 -0.144 0.000 0.809 330 K HN 0.591 nan 8.250 nan 0.000 0.504 331 S N -2.194 113.480 115.700 -0.044 0.000 2.483 331 S HA 0.177 4.647 4.470 0.000 0.000 0.280 331 S C 1.274 175.885 174.600 0.017 0.000 1.059 331 S CA 0.287 58.483 58.200 -0.006 0.000 1.359 331 S CB 0.671 63.879 63.200 0.013 0.000 1.171 331 S HN 0.294 nan 8.310 nan 0.000 0.625 332 G N 1.193 110.009 108.800 0.026 0.000 2.184 332 G HA2 -0.278 3.682 3.960 0.000 0.000 0.264 332 G HA3 -0.278 3.682 3.960 0.000 0.000 0.264 332 G C -0.157 174.787 174.900 0.074 0.000 0.975 332 G CA 0.465 45.590 45.100 0.042 0.000 0.642 332 G HN 0.768 nan 8.290 nan 0.000 0.536 333 E N 0.758 121.030 120.200 0.121 0.000 2.360 333 E HA 0.558 4.908 4.350 0.000 0.000 0.269 333 E C 0.894 177.648 176.600 0.256 0.000 1.022 333 E CA -0.144 56.345 56.400 0.150 0.000 0.887 333 E CB 0.278 30.095 29.700 0.195 0.000 0.990 333 E HN 0.485 nan 8.360 nan 0.000 0.426 334 R N 2.996 123.554 120.500 0.097 0.000 2.540 334 R HA 0.462 4.802 4.340 0.000 0.000 0.287 334 R C -0.902 175.462 176.300 0.107 0.000 0.980 334 R CA -0.576 55.614 56.100 0.150 0.000 0.966 334 R CB 1.025 31.244 30.300 -0.134 0.000 1.106 334 R HN 0.512 nan 8.270 nan 0.000 0.480 335 Y N 0.719 121.243 120.300 0.372 0.000 2.581 335 Y HA 0.464 5.014 4.550 0.000 0.000 0.345 335 Y C -0.808 175.389 175.900 0.494 0.000 1.036 335 Y CA -1.056 57.278 58.100 0.389 0.000 1.042 335 Y CB 1.689 40.293 38.460 0.240 0.000 1.289 335 Y HN 0.316 nan 8.280 nan 0.000 0.471 336 L N 2.341 123.888 121.223 0.540 0.000 2.346 336 L HA 0.665 5.005 4.340 0.000 0.000 0.276 336 L C -0.860 176.219 176.870 0.349 0.000 1.006 336 L CA -0.678 54.419 54.840 0.428 0.000 0.817 336 L CB 1.609 43.770 42.059 0.169 0.000 1.272 336 L HN 0.712 nan 8.230 nan 0.000 0.421 337 R N 3.558 124.285 120.500 0.377 0.000 2.562 337 R HA 0.839 5.179 4.340 0.000 0.000 0.298 337 R C -1.967 174.518 176.300 0.308 0.000 0.961 337 R CA -0.606 55.689 56.100 0.326 0.000 0.881 337 R CB 1.731 32.252 30.300 0.368 0.000 1.159 337 R HN 0.530 nan 8.270 nan 0.000 0.450 338 V N 5.706 125.790 119.914 0.283 0.000 2.577 338 V HA 0.504 4.624 4.120 0.000 0.000 0.303 338 V C -1.416 174.833 176.094 0.258 0.000 1.042 338 V CA -0.659 61.721 62.300 0.133 0.000 0.872 338 V CB 1.352 33.123 31.823 -0.087 0.000 0.998 338 V HN 0.844 nan 8.190 nan 0.000 0.423 339 Y N 3.191 123.607 120.300 0.195 0.000 2.638 339 Y HA 0.832 5.382 4.550 0.000 0.000 0.335 339 Y C -1.735 174.373 175.900 0.346 0.000 1.155 339 Y CA -1.819 56.464 58.100 0.304 0.000 1.046 339 Y CB 1.593 40.153 38.460 0.167 0.000 1.303 339 Y HN 0.478 nan 8.280 nan 0.000 0.460 340 F N 3.193 123.288 119.950 0.241 0.000 2.495 340 F HA 0.625 5.152 4.527 0.000 0.000 0.327 340 F C -0.944 174.759 175.800 -0.160 0.000 1.103 340 F CA -0.597 57.234 58.000 -0.281 0.000 0.949 340 F CB 1.923 40.178 39.000 -1.242 0.000 1.142 340 F HN 0.741 nan 8.300 nan 0.000 0.457 341 Q N 4.997 124.205 119.800 -0.985 0.000 2.397 341 Q HA 0.923 5.263 4.340 0.000 0.000 0.275 341 Q C -2.106 173.359 176.000 -0.891 0.000 1.090 341 Q CA -1.235 54.180 55.803 -0.647 0.000 0.809 341 Q CB 2.501 31.122 28.738 -0.194 0.000 1.362 341 Q HN 0.915 nan 8.270 nan 0.000 0.431 342 A N 1.586 124.107 122.820 -0.498 0.000 2.599 342 A HA 0.492 4.813 4.320 0.000 0.000 0.290 342 A C -1.467 176.060 177.584 -0.094 0.000 1.101 342 A CA -0.834 51.012 52.037 -0.319 0.000 0.674 342 A CB 1.994 20.797 19.000 -0.329 0.000 1.277 342 A HN 0.736 nan 8.150 nan 0.000 0.419 343 Q N 0.162 119.958 119.800 -0.007 0.000 2.227 343 Q HA 0.501 4.842 4.340 0.000 0.000 0.245 343 Q C 0.614 176.760 176.000 0.243 0.000 0.926 343 Q CA -0.282 55.573 55.803 0.086 0.000 0.895 343 Q CB 1.676 30.453 28.738 0.066 0.000 1.230 343 Q HN 0.985 nan 8.270 nan 0.000 0.450 344 G N 0.708 109.639 108.800 0.218 0.000 2.636 344 G HA2 0.101 4.061 3.960 0.000 0.000 0.246 344 G HA3 0.101 4.061 3.960 0.000 0.000 0.246 344 G C 0.752 175.768 174.900 0.194 0.000 1.216 344 G CA -0.349 44.867 45.100 0.193 0.000 0.854 344 G HN 0.660 nan 8.290 nan 0.000 0.572 345 L N -0.088 121.182 121.223 0.079 0.000 2.012 345 L HA -0.099 4.241 4.340 0.000 0.000 0.210 345 L C 2.406 179.503 176.870 0.379 0.000 1.073 345 L CA 1.357 56.341 54.840 0.239 0.000 0.748 345 L CB -0.182 41.905 42.059 0.047 0.000 0.891 345 L HN 0.427 nan 8.230 nan 0.000 0.431 346 D N -0.519 120.059 120.400 0.296 0.000 2.183 346 D HA -0.146 4.494 4.640 0.000 0.000 0.203 346 D C 1.777 178.170 176.300 0.154 0.000 0.969 346 D CA 0.887 55.058 54.000 0.285 0.000 0.842 346 D CB -0.130 40.811 40.800 0.234 0.000 0.957 346 D HN 0.250 nan 8.370 nan 0.000 0.484 347 D N 0.226 120.704 120.400 0.131 0.000 2.144 347 D HA -0.080 4.560 4.640 0.000 0.000 0.199 347 D C 2.306 178.653 176.300 0.078 0.000 0.984 347 D CA 0.400 54.447 54.000 0.079 0.000 0.834 347 D CB -0.178 40.669 40.800 0.078 0.000 0.955 347 D HN 0.224 nan 8.370 nan 0.000 0.465 348 L N 0.110 121.415 121.223 0.137 0.000 2.027 348 L HA -0.093 4.247 4.340 0.000 0.000 0.206 348 L C 2.604 179.600 176.870 0.211 0.000 1.074 348 L CA 0.919 55.859 54.840 0.165 0.000 0.745 348 L CB -0.274 41.918 42.059 0.221 0.000 0.898 348 L HN -0.053 nan 8.230 nan 0.000 0.433 349 R N 0.438 121.011 120.500 0.121 0.000 2.105 349 R HA -0.153 4.187 4.340 0.000 0.000 0.239 349 R C 2.149 178.473 176.300 0.039 0.000 1.135 349 R CA 1.468 57.544 56.100 -0.039 0.000 0.967 349 R CB -0.009 30.077 30.300 -0.357 0.000 0.861 349 R HN 0.277 nan 8.270 nan 0.000 0.442 350 R N 0.194 120.709 120.500 0.026 0.000 2.310 350 R HA 0.154 4.494 4.340 0.000 0.000 0.202 350 R C 0.407 176.692 176.300 -0.025 0.000 0.933 350 R CA 0.127 56.224 56.100 -0.005 0.000 1.054 350 R CB 0.120 30.407 30.300 -0.022 0.000 0.985 350 R HN 0.191 nan 8.270 nan 0.000 0.489 351 L N 1.892 123.095 121.223 -0.033 0.000 3.742 351 L HA -0.252 4.088 4.340 0.000 0.000 0.431 351 L C -0.077 176.731 176.870 -0.103 0.000 1.220 351 L CA 0.125 54.892 54.840 -0.122 0.000 0.863 351 L CB -1.427 40.511 42.059 -0.202 0.000 1.751 351 L HN 0.298 nan 8.230 nan 0.000 0.922 352 Q N 1.002 120.746 119.800 -0.094 0.000 2.313 352 Q HA 0.238 4.579 4.340 0.000 0.000 0.266 352 Q C 0.207 176.131 176.000 -0.127 0.000 0.989 352 Q CA 0.414 56.125 55.803 -0.154 0.000 0.890 352 Q CB 0.958 29.579 28.738 -0.194 0.000 1.200 352 Q HN 0.243 nan 8.270 nan 0.000 0.396 353 T N 7.185 121.658 114.554 -0.134 0.000 2.884 353 T HA 0.267 4.617 4.350 0.000 0.000 0.298 353 T C -2.187 172.477 174.700 -0.061 0.000 0.998 353 T CA -1.212 60.837 62.100 -0.085 0.000 1.124 353 T CB 0.666 69.495 68.868 -0.066 0.000 0.931 353 T HN 0.558 nan 8.240 nan 0.000 0.531 354 P HA 0.159 nan 4.420 nan 0.000 0.230 354 P C -0.416 176.875 177.300 -0.015 0.000 1.791 354 P CA -0.453 62.639 63.100 -0.014 0.000 1.020 354 P CB -0.471 31.203 31.700 -0.043 0.000 1.977 355 D N 0.632 121.046 120.400 0.022 0.000 2.433 355 D HA 0.159 4.799 4.640 0.000 0.000 0.255 355 D C 1.506 177.822 176.300 0.027 0.000 1.226 355 D CA -0.763 53.251 54.000 0.024 0.000 1.015 355 D CB 0.041 40.869 40.800 0.046 0.000 1.091 355 D HN 0.016 nan 8.370 nan 0.000 0.527 356 A N -0.544 122.281 122.820 0.008 0.000 2.032 356 A HA -0.274 4.046 4.320 0.000 0.000 0.221 356 A C 1.977 179.545 177.584 -0.026 0.000 1.165 356 A CA 1.919 53.948 52.037 -0.014 0.000 0.645 356 A CB -0.800 18.192 19.000 -0.014 0.000 0.807 356 A HN 0.588 nan 8.150 nan 0.000 0.453 357 Q N -1.654 118.142 119.800 -0.007 0.000 2.402 357 Q HA 0.086 4.426 4.340 0.000 0.000 0.206 357 Q C -0.413 175.374 176.000 -0.355 0.000 0.919 357 Q CA 0.752 56.468 55.803 -0.143 0.000 0.923 357 Q CB 0.341 28.993 28.738 -0.143 0.000 1.048 357 Q HN 0.862 nan 8.270 nan 0.000 0.515 358 H N -0.317 118.738 119.070 -0.025 0.000 2.429 358 H HA 0.252 4.808 4.556 0.000 0.000 0.231 358 H C -2.492 172.817 175.328 -0.032 0.000 1.416 358 H CA -2.140 53.896 56.048 -0.020 0.000 1.443 358 H CB 0.325 30.079 29.762 -0.013 0.000 1.591 358 H HN 0.046 nan 8.280 nan 0.000 0.507 359 P HA 0.034 nan 4.420 nan 0.000 0.274 359 P C 0.261 177.550 177.300 -0.019 0.000 1.237 359 P CA -0.528 62.562 63.100 -0.017 0.000 0.793 359 P CB 0.995 32.663 31.700 -0.053 0.000 0.977 360 M N 1.077 120.642 119.600 -0.058 0.000 2.245 360 M HA 0.027 4.508 4.480 0.000 0.000 0.335 360 M C 0.554 176.820 176.300 -0.057 0.000 1.155 360 M CA 0.553 55.812 55.300 -0.067 0.000 1.055 360 M CB -0.886 31.645 32.600 -0.116 0.000 1.670 360 M HN 0.256 nan 8.290 nan 0.000 0.447 361 L N 3.146 124.351 121.223 -0.030 0.000 2.380 361 L HA 0.361 4.701 4.340 0.000 0.000 0.273 361 L C 0.489 177.324 176.870 -0.058 0.000 1.138 361 L CA 0.083 54.918 54.840 -0.008 0.000 0.832 361 L CB 0.245 42.344 42.059 0.067 0.000 1.124 361 L HN 0.644 nan 8.230 nan 0.000 0.454 362 R N 2.533 123.016 120.500 -0.028 0.000 2.626 362 R HA 0.408 4.748 4.340 0.000 0.000 0.274 362 R C -1.519 174.824 176.300 0.071 0.000 1.031 362 R CA -0.659 55.429 56.100 -0.021 0.000 0.898 362 R CB 2.190 32.431 30.300 -0.099 0.000 1.222 362 R HN 0.673 nan 8.270 nan 0.000 0.455 363 Q N 2.331 122.237 119.800 0.177 0.000 2.323 363 Q HA 0.289 4.629 4.340 0.000 0.000 0.271 363 Q C -1.394 174.891 176.000 0.476 0.000 1.048 363 Q CA -0.648 55.333 55.803 0.297 0.000 0.792 363 Q CB 2.101 31.059 28.738 0.367 0.000 1.280 363 Q HN 0.579 nan 8.270 nan 0.000 0.441 364 E N 2.315 122.722 120.200 0.345 0.000 2.231 364 E HA 0.164 4.514 4.350 0.000 0.000 0.277 364 E C -1.278 175.462 176.600 0.235 0.000 0.999 364 E CA -0.607 55.981 56.400 0.313 0.000 0.827 364 E CB 1.327 31.109 29.700 0.138 0.000 1.101 364 E HN 0.506 nan 8.360 nan 0.000 0.393 365 W N 3.834 124.937 121.300 -0.328 0.000 2.184 365 W HA 0.162 4.822 4.660 0.000 0.000 0.338 365 W C -0.053 176.345 176.519 -0.202 0.000 1.257 365 W CA -0.057 56.953 57.345 -0.558 0.000 1.243 365 W CB 0.566 29.362 29.460 -1.106 0.000 1.122 365 W HN 0.551 nan 8.180 nan 0.000 0.585 366 R N 3.476 123.357 120.500 -1.032 0.000 2.734 366 R HA 0.629 4.969 4.340 0.000 0.000 0.271 366 R C -1.530 173.995 176.300 -1.293 0.000 1.021 366 R CA -1.141 54.367 56.100 -0.986 0.000 0.893 366 R CB 1.614 31.665 30.300 -0.415 0.000 1.244 366 R HN 0.671 nan 8.270 nan 0.000 0.464 367 Q N -0.346 118.945 119.800 -0.848 0.000 2.534 367 Q HA 0.576 4.916 4.340 0.000 0.000 0.290 367 Q C -2.899 172.950 176.000 -0.252 0.000 0.991 367 Q CA -2.390 53.109 55.803 -0.507 0.000 0.783 367 Q CB 2.080 30.553 28.738 -0.441 0.000 1.470 367 Q HN 0.365 nan 8.270 nan 0.000 0.406 368 P HA 0.067 nan 4.420 nan 0.000 0.264 368 P C 0.526 177.798 177.300 -0.045 0.000 1.179 368 P CA 2.053 65.107 63.100 -0.077 0.000 0.763 368 P CB 0.353 32.026 31.700 -0.045 0.000 0.806 369 G N 0.885 109.673 108.800 -0.019 0.000 2.234 369 G HA2 -0.248 3.712 3.960 0.000 0.000 0.235 369 G HA3 -0.248 3.712 3.960 0.000 0.000 0.235 369 G C 0.332 175.260 174.900 0.046 0.000 0.997 369 G CA -0.137 44.977 45.100 0.023 0.000 0.623 369 G HN 0.677 nan 8.290 nan 0.000 0.514 370 c N 2.061 120.658 118.600 -0.006 0.000 2.657 370 c HA 0.678 5.248 4.570 0.000 0.000 0.404 370 c C 0.951 175.031 174.090 -0.016 0.000 1.291 370 c CA 0.025 56.354 56.329 -0.001 0.000 2.218 370 c CB 0.295 42.754 42.510 -0.085 0.000 2.687 370 c HN 0.775 nan 8.230 nan 0.000 0.634 371 R N 1.892 122.369 120.500 -0.038 0.000 2.686 371 R HA 0.457 4.797 4.340 0.000 0.000 0.286 371 R C -1.283 174.923 176.300 -0.157 0.000 0.969 371 R CA -0.596 55.460 56.100 -0.074 0.000 0.898 371 R CB 0.890 31.166 30.300 -0.040 0.000 1.183 371 R HN 0.554 nan 8.270 nan 0.000 0.456 372 Q N 2.547 122.270 119.800 -0.129 0.000 2.296 372 Q HA 0.150 4.490 4.340 0.000 0.000 0.263 372 Q C -0.107 175.784 176.000 -0.182 0.000 1.026 372 Q CA 0.237 55.945 55.803 -0.157 0.000 0.912 372 Q CB 1.677 30.352 28.738 -0.105 0.000 1.198 372 Q HN 0.860 nan 8.270 nan 0.000 0.407 373 T N -1.980 112.397 114.554 -0.295 0.000 2.910 373 T HA 0.298 4.648 4.350 0.000 0.000 0.287 373 T C 0.521 175.062 174.700 -0.264 0.000 1.050 373 T CA -0.777 61.136 62.100 -0.310 0.000 1.011 373 T CB 1.122 69.559 68.868 -0.719 0.000 1.195 373 T HN 0.268 nan 8.240 nan 0.000 0.540 374 D N 0.227 120.525 120.400 -0.170 0.000 2.350 374 D HA -0.024 4.616 4.640 0.000 0.000 0.216 374 D C 1.817 178.007 176.300 -0.185 0.000 0.968 374 D CA 1.010 54.939 54.000 -0.117 0.000 0.894 374 D CB 0.049 40.840 40.800 -0.016 0.000 0.909 374 D HN 0.526 nan 8.370 nan 0.000 0.520 375 V N -3.899 115.786 119.914 -0.381 0.000 3.578 375 V HA 0.595 4.715 4.120 0.000 0.000 0.290 375 V C 0.832 176.623 176.094 -0.505 0.000 1.376 375 V CA 0.403 62.417 62.300 -0.476 0.000 1.083 375 V CB 0.273 31.540 31.823 -0.926 0.000 0.911 375 V HN 0.147 nan 8.190 nan 0.000 0.433 376 G N -0.035 108.497 108.800 -0.445 0.000 2.343 376 G HA2 0.064 4.024 3.960 0.000 0.000 0.562 376 G HA3 0.064 4.024 3.960 0.000 0.000 0.562 376 G C -0.539 174.134 174.900 -0.377 0.000 1.269 376 G CA -0.337 44.547 45.100 -0.360 0.000 1.011 376 G HN 0.330 nan 8.290 nan 0.000 0.498 377 T N 1.266 115.673 114.554 -0.245 0.000 2.727 377 T HA 0.519 4.870 4.350 0.000 0.000 0.295 377 T C -0.115 174.473 174.700 -0.187 0.000 0.915 377 T CA 0.065 62.048 62.100 -0.195 0.000 1.066 377 T CB 0.695 69.504 68.868 -0.099 0.000 0.891 377 T HN 0.478 nan 8.240 nan 0.000 0.516 378 L N 3.726 124.782 121.223 -0.278 0.000 2.307 378 L HA 0.469 4.809 4.340 0.000 0.000 0.284 378 L C -0.257 176.672 176.870 0.099 0.000 1.023 378 L CA -0.528 54.189 54.840 -0.206 0.000 0.810 378 L CB 1.197 42.831 42.059 -0.707 0.000 1.231 378 L HN 0.740 nan 8.230 nan 0.000 0.423 379 c N 4.416 123.195 118.600 0.298 0.000 2.379 379 c HA 0.491 5.061 4.570 0.000 0.000 0.323 379 c C -2.225 172.050 174.090 0.308 0.000 1.262 379 c CA -1.568 54.944 56.329 0.305 0.000 1.581 379 c CB 1.581 44.266 42.510 0.291 0.000 2.221 379 c HN 0.595 nan 8.230 nan 0.000 0.497 380 P HA -0.073 nan 4.420 nan 0.000 0.259 380 P C 0.499 177.801 177.300 0.003 0.000 1.163 380 P CA 0.528 63.533 63.100 -0.158 0.000 0.760 380 P CB 0.167 31.821 31.700 -0.076 0.000 0.762 381 F N 3.947 123.811 119.950 -0.143 0.000 2.051 381 F HA -0.261 4.266 4.527 0.000 0.000 0.296 381 F C 2.315 178.116 175.800 0.001 0.000 1.122 381 F CA 1.870 59.860 58.000 -0.017 0.000 1.201 381 F CB -0.385 38.611 39.000 -0.007 0.000 0.978 381 F HN 0.244 nan 8.300 nan 0.000 0.472 382 Q N 0.841 120.713 119.800 0.120 0.000 2.050 382 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 382 Q C 2.184 178.154 176.000 -0.050 0.000 0.980 382 Q CA 2.076 57.893 55.803 0.023 0.000 0.840 382 Q CB -0.883 27.910 28.738 0.092 0.000 0.898 382 Q HN 0.460 nan 8.270 nan 0.000 0.424 383 A N 0.094 122.910 122.820 -0.008 0.000 1.978 383 A HA -0.061 4.259 4.320 0.000 0.000 0.220 383 A C 2.231 179.831 177.584 0.028 0.000 1.170 383 A CA 1.919 53.965 52.037 0.016 0.000 0.636 383 A CB -1.004 18.019 19.000 0.039 0.000 0.810 383 A HN 0.492 nan 8.150 nan 0.000 0.448 384 A N 0.081 122.901 122.820 -0.000 0.000 1.872 384 A HA -0.001 4.320 4.320 0.000 0.000 0.214 384 A C 2.013 179.486 177.584 -0.185 0.000 1.187 384 A CA 1.410 53.462 52.037 0.025 0.000 0.614 384 A CB -0.467 18.554 19.000 0.035 0.000 0.826 384 A HN 0.389 nan 8.150 nan 0.000 0.442 385 I N 0.398 120.776 120.570 -0.320 0.000 2.151 385 I HA -0.225 3.945 4.170 0.000 0.000 0.243 385 I C 2.533 178.547 176.117 -0.171 0.000 1.080 385 I CA 2.186 63.295 61.300 -0.318 0.000 1.339 385 I CB -1.959 35.801 38.000 -0.399 0.000 1.039 385 I HN 0.259 nan 8.210 nan 0.000 0.409 386 T N 1.310 115.801 114.554 -0.105 0.000 2.708 386 T HA -0.118 4.232 4.350 0.000 0.000 0.266 386 T C 2.065 176.750 174.700 -0.024 0.000 1.037 386 T CA 1.656 63.727 62.100 -0.047 0.000 1.146 386 T CB -0.330 68.529 68.868 -0.015 0.000 0.865 386 T HN 0.476 nan 8.240 nan 0.000 0.435 387 A N 1.124 123.949 122.820 0.009 0.000 1.902 387 A HA 0.034 4.354 4.320 0.000 0.000 0.217 387 A C 2.275 179.860 177.584 0.002 0.000 1.181 387 A CA 1.199 53.278 52.037 0.070 0.000 0.623 387 A CB -0.838 18.300 19.000 0.229 0.000 0.818 387 A HN 0.480 nan 8.150 nan 0.000 0.443 388 L N -0.908 120.230 121.223 -0.142 0.000 2.201 388 L HA -0.054 4.286 4.340 0.000 0.000 0.212 388 L C 2.404 179.194 176.870 -0.134 0.000 1.105 388 L CA 0.847 55.539 54.840 -0.245 0.000 0.775 388 L CB -0.291 41.505 42.059 -0.439 0.000 0.913 388 L HN 0.496 nan 8.230 nan 0.000 0.440 389 G N -1.691 107.050 108.800 -0.098 0.000 3.088 389 G HA2 -0.030 3.931 3.960 0.000 0.000 0.217 389 G HA3 -0.030 3.931 3.960 0.000 0.000 0.217 389 G C 1.278 176.158 174.900 -0.034 0.000 1.159 389 G CA -0.258 44.802 45.100 -0.066 0.000 0.760 389 G HN 0.301 nan 8.290 nan 0.000 0.550 390 Q N 0.078 119.868 119.800 -0.017 0.000 2.181 390 Q HA -0.057 4.283 4.340 0.000 0.000 0.205 390 Q C 2.217 178.219 176.000 0.003 0.000 0.980 390 Q CA 0.977 56.781 55.803 0.001 0.000 0.862 390 Q CB -0.040 28.711 28.738 0.021 0.000 0.905 390 Q HN 0.352 nan 8.270 nan 0.000 0.429 391 R N -0.145 120.356 120.500 0.001 0.000 2.334 391 R HA 0.211 4.551 4.340 0.000 0.000 0.216 391 R C 0.069 176.365 176.300 -0.008 0.000 0.905 391 R CA -0.240 55.862 56.100 0.003 0.000 1.064 391 R CB 0.307 30.613 30.300 0.010 0.000 1.046 391 R HN 0.167 nan 8.270 nan 0.000 0.508 392 I N 1.835 122.395 120.570 -0.016 0.000 2.683 392 I HA -0.119 4.051 4.170 0.000 0.000 0.286 392 I C 0.230 176.336 176.117 -0.019 0.000 1.175 392 I CA 0.326 61.612 61.300 -0.023 0.000 1.429 392 I CB 0.344 38.327 38.000 -0.028 0.000 1.371 392 I HN -0.040 nan 8.210 nan 0.000 0.569 393 D N 6.363 126.747 120.400 -0.026 0.000 2.380 393 D HA 0.142 4.782 4.640 0.000 0.000 0.230 393 D C 1.167 177.454 176.300 -0.022 0.000 1.154 393 D CA -0.401 53.586 54.000 -0.021 0.000 0.859 393 D CB 0.730 41.511 40.800 -0.031 0.000 1.045 393 D HN 0.253 nan 8.370 nan 0.000 0.495 394 R N 3.904 124.395 120.500 -0.015 0.000 2.091 394 R HA -0.083 4.257 4.340 0.000 0.000 0.238 394 R C -0.841 175.449 176.300 -0.018 0.000 1.136 394 R CA 1.175 57.265 56.100 -0.017 0.000 0.959 394 R CB -1.734 28.559 30.300 -0.012 0.000 0.856 394 R HN 0.504 nan 8.270 nan 0.000 0.437 395 P HA -0.021 nan 4.420 nan 0.000 0.221 395 P C 0.615 177.906 177.300 -0.016 0.000 1.145 395 P CA 1.247 64.341 63.100 -0.009 0.000 0.795 395 P CB 0.058 31.758 31.700 0.001 0.000 0.775 396 S N -1.281 114.404 115.700 -0.025 0.000 2.605 396 S HA 0.315 4.786 4.470 0.000 0.000 0.217 396 S C 1.039 175.612 174.600 -0.045 0.000 0.958 396 S CA 0.109 58.288 58.200 -0.036 0.000 0.919 396 S CB -0.087 63.082 63.200 -0.053 0.000 0.780 396 S HN 0.097 nan 8.310 nan 0.000 0.507 397 A N 3.095 125.890 122.820 -0.043 0.000 3.248 397 A HA 0.468 4.788 4.320 0.000 0.000 0.315 397 A C -2.629 174.922 177.584 -0.055 0.000 0.974 397 A CA -1.367 50.639 52.037 -0.052 0.000 0.939 397 A CB 0.071 19.045 19.000 -0.044 0.000 1.061 397 A HN 0.170 nan 8.150 nan 0.000 0.481 398 P HA 0.338 nan 4.420 nan 0.000 0.272 398 P C 0.216 177.469 177.300 -0.079 0.000 1.223 398 P CA 0.076 63.137 63.100 -0.064 0.000 0.784 398 P CB 0.965 32.623 31.700 -0.070 0.000 0.923 399 A N 2.193 124.972 122.820 -0.068 0.000 2.511 399 A HA 0.350 4.670 4.320 0.000 0.000 0.242 399 A C -0.018 177.508 177.584 -0.096 0.000 1.069 399 A CA -0.061 51.932 52.037 -0.073 0.000 0.763 399 A CB -0.207 18.759 19.000 -0.058 0.000 1.001 399 A HN 0.375 nan 8.150 nan 0.000 0.498 400 V N 2.019 121.869 119.914 -0.108 0.000 2.588 400 V HA 0.547 4.667 4.120 0.000 0.000 0.304 400 V C 0.617 176.645 176.094 -0.110 0.000 1.042 400 V CA -0.388 61.834 62.300 -0.131 0.000 0.877 400 V CB 1.512 33.232 31.823 -0.173 0.000 0.996 400 V HN 1.219 nan 8.190 nan 0.000 0.425 401 A N 4.760 127.518 122.820 -0.104 0.000 2.484 401 A HA 0.289 4.609 4.320 0.000 0.000 0.268 401 A C 1.015 178.530 177.584 -0.115 0.000 1.114 401 A CA -0.044 51.931 52.037 -0.104 0.000 0.780 401 A CB 0.064 19.008 19.000 -0.093 0.000 1.061 401 A HN 0.922 nan 8.150 nan 0.000 0.505 402 M N 4.069 123.590 119.600 -0.132 0.000 2.175 402 M HA -0.018 4.462 4.480 0.000 0.000 0.264 402 M C 0.578 176.760 176.300 -0.197 0.000 1.063 402 M CA 1.551 56.773 55.300 -0.130 0.000 1.119 402 M CB -0.252 32.268 32.600 -0.132 0.000 1.377 402 M HN 0.351 nan 8.290 nan 0.000 0.415 403 V N 2.871 122.583 119.914 -0.336 0.000 2.397 403 V HA 0.083 4.203 4.120 0.000 0.000 0.262 403 V C 0.230 176.235 176.094 -0.148 0.000 1.047 403 V CA -0.467 61.572 62.300 -0.436 0.000 1.003 403 V CB -0.652 30.884 31.823 -0.478 0.000 1.037 403 V HN 0.255 nan 8.190 nan 0.000 0.480 404 L N 8.666 129.893 121.223 0.007 0.000 2.559 404 L HA 0.141 4.482 4.340 0.000 0.000 0.274 404 L C -1.334 175.529 176.870 -0.012 0.000 1.205 404 L CA -1.060 53.795 54.840 0.025 0.000 0.907 404 L CB 0.302 42.415 42.059 0.090 0.000 1.153 404 L HN 0.512 nan 8.230 nan 0.000 0.490 405 P HA 0.228 nan 4.420 nan 0.000 0.264 405 P C -0.403 176.892 177.300 -0.007 0.000 1.537 405 P CA 0.432 63.520 63.100 -0.020 0.000 1.189 405 P CB 0.239 31.928 31.700 -0.019 0.000 1.687 406 K N 0.000 120.399 120.400 -0.002 0.000 2.780 406 K HA 0.000 4.320 4.320 0.000 0.000 0.191 406 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 406 K CB 0.000 nan 32.500 nan 0.000 1.064 406 K HN 0.000 nan 8.250 nan 0.000 0.543