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 3a69_1_A DATA FIRST_RESID 1 DATA SEQUENCE SFSQAVSGLN AAATNLDVIG NNIAXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX GLDVAISQNG FFRLVDSNGS VFYSRNGQFK DATA SEQUENCE LDENRNLVNM QGMQLTGYPA TGTPPTIQQG ANPAPITIPN TLMAAKSTTT DATA SEQUENCE ASMQINLNST DPVPSKTPFS VSDADSYNKK GTVTVYDSQG NAHDMNVYFV DATA SEQUENCE KTKDNEWAVY THDSSDPAAT APTTASTTLK FNENGILESG GTVNITTGTI DATA SEQUENCE NGATAATFSL SFLNSMQQNT GANNIVATNQ NGYKPGDLVS YQINNDGTVV DATA SEQUENCE GNYSNEQEQV LGQIVLANFA NNEGLASQGD NVWAATQASG VALLGTAGSG DATA SEQUENCE NFGKLTNXXX XXXXXXLSKE LVNMIVAQRN YQSNAQTIKT QDQILNTLVN DATA SEQUENCE LR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.524 174.600 -0.126 0.000 1.055 1 S CA 0.000 58.121 58.200 -0.132 0.000 1.107 1 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 2 F N 4.533 124.480 119.950 -0.005 0.000 2.186 2 F HA 0.154 4.681 4.527 -0.000 0.000 0.299 2 F C 2.500 178.298 175.800 -0.004 0.000 1.090 2 F CA 1.327 59.322 58.000 -0.008 0.000 1.307 2 F CB -1.244 37.751 39.000 -0.008 0.000 1.019 2 F HN 0.408 nan 8.300 nan 0.000 0.489 3 S N 0.094 115.373 115.700 -0.702 0.000 2.383 3 S HA -0.230 4.240 4.470 -0.000 0.000 0.227 3 S C 1.852 176.353 174.600 -0.166 0.000 1.026 3 S CA 1.208 59.200 58.200 -0.347 0.000 0.981 3 S CB -1.011 61.884 63.200 -0.508 0.000 0.818 3 S HN 0.659 nan 8.310 nan 0.000 0.472 4 Q N 1.234 120.919 119.800 -0.192 0.000 2.084 4 Q HA 0.055 4.395 4.340 -0.000 0.000 0.202 4 Q C 2.627 178.602 176.000 -0.042 0.000 0.978 4 Q CA 1.373 57.117 55.803 -0.098 0.000 0.844 4 Q CB -0.541 28.139 28.738 -0.096 0.000 0.898 4 Q HN 0.775 nan 8.270 nan 0.000 0.426 5 A N 0.371 123.174 122.820 -0.028 0.000 1.902 5 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 5 A C 2.319 179.914 177.584 0.017 0.000 1.181 5 A CA 1.224 53.262 52.037 0.002 0.000 0.623 5 A CB -0.606 18.405 19.000 0.018 0.000 0.818 5 A HN 0.206 nan 8.150 nan 0.000 0.443 6 V N 1.043 120.977 119.914 0.033 0.000 2.343 6 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 6 V C 3.006 179.134 176.094 0.057 0.000 1.051 6 V CA 2.330 64.663 62.300 0.054 0.000 1.036 6 V CB -0.910 30.961 31.823 0.080 0.000 0.654 6 V HN 0.818 nan 8.190 nan 0.000 0.451 7 S N 0.975 116.693 115.700 0.030 0.000 2.383 7 S HA -0.102 4.368 4.470 -0.000 0.000 0.227 7 S C 2.115 176.740 174.600 0.042 0.000 1.026 7 S CA 1.400 59.617 58.200 0.028 0.000 0.981 7 S CB -0.952 62.249 63.200 0.002 0.000 0.818 7 S HN 0.528 nan 8.310 nan 0.000 0.472 8 G N 2.650 111.473 108.800 0.038 0.000 2.408 8 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.217 8 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.217 8 G C 1.514 176.471 174.900 0.096 0.000 1.150 8 G CA 1.075 46.204 45.100 0.049 0.000 0.776 8 G HN 0.651 nan 8.290 nan 0.000 0.542 9 L N -0.055 121.243 121.223 0.126 0.000 2.046 9 L HA 0.100 4.440 4.340 -0.000 0.000 0.208 9 L C 2.027 179.089 176.870 0.320 0.000 1.077 9 L CA 1.848 56.860 54.840 0.287 0.000 0.747 9 L CB -1.027 41.131 42.059 0.166 0.000 0.896 9 L HN -0.068 nan 8.230 nan 0.000 0.432 10 N N 1.167 119.975 118.700 0.179 0.000 2.188 10 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 10 N C 1.962 177.502 175.510 0.050 0.000 1.018 10 N CA 1.782 54.893 53.050 0.102 0.000 0.858 10 N CB -0.519 38.012 38.487 0.072 0.000 0.989 10 N HN 0.572 nan 8.380 nan 0.000 0.426 11 A N 0.924 123.777 122.820 0.055 0.000 1.898 11 A HA 0.065 4.385 4.320 -0.000 0.000 0.216 11 A C 2.348 179.946 177.584 0.025 0.000 1.181 11 A CA 1.812 53.868 52.037 0.032 0.000 0.620 11 A CB -0.766 18.254 19.000 0.032 0.000 0.819 11 A HN 0.308 nan 8.150 nan 0.000 0.442 12 A N -0.146 122.705 122.820 0.052 0.000 1.930 12 A HA 0.188 4.508 4.320 -0.000 0.000 0.217 12 A C 2.480 180.035 177.584 -0.048 0.000 1.175 12 A CA 1.961 54.022 52.037 0.039 0.000 0.627 12 A CB -0.932 18.144 19.000 0.127 0.000 0.815 12 A HN 1.015 nan 8.150 nan 0.000 0.443 13 A N -0.152 122.595 122.820 -0.122 0.000 1.930 13 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 13 A C 2.449 179.961 177.584 -0.119 0.000 1.175 13 A CA 2.489 54.384 52.037 -0.237 0.000 0.627 13 A CB -1.389 17.419 19.000 -0.320 0.000 0.815 13 A HN 0.759 nan 8.150 nan 0.000 0.443 14 T N -1.544 112.972 114.554 -0.063 0.000 2.777 14 T HA -0.160 4.189 4.350 -0.000 0.000 0.266 14 T C 1.638 176.320 174.700 -0.029 0.000 1.040 14 T CA 1.481 63.559 62.100 -0.037 0.000 1.141 14 T CB -0.583 68.275 68.868 -0.016 0.000 0.868 14 T HN 0.394 nan 8.240 nan 0.000 0.444 15 N N 1.733 120.419 118.700 -0.023 0.000 2.120 15 N HA 0.075 4.815 4.740 -0.000 0.000 0.188 15 N C 1.939 177.437 175.510 -0.020 0.000 1.024 15 N CA 0.979 54.021 53.050 -0.012 0.000 0.852 15 N CB -0.569 37.917 38.487 -0.002 0.000 1.003 15 N HN 0.413 nan 8.380 nan 0.000 0.424 16 L N 0.829 122.028 121.223 -0.040 0.000 2.056 16 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 16 L C 1.600 178.446 176.870 -0.040 0.000 1.078 16 L CA 1.053 55.866 54.840 -0.044 0.000 0.749 16 L CB -0.360 41.653 42.059 -0.077 0.000 0.901 16 L HN 0.022 nan 8.230 nan 0.000 0.433 17 D N -0.268 120.104 120.400 -0.048 0.000 2.117 17 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 17 D C 2.346 178.633 176.300 -0.022 0.000 0.987 17 D CA 1.039 55.016 54.000 -0.038 0.000 0.829 17 D CB -0.165 40.609 40.800 -0.042 0.000 0.961 17 D HN 0.089 nan 8.370 nan 0.000 0.460 18 V N 1.153 121.058 119.914 -0.016 0.000 2.343 18 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 18 V C 2.480 178.574 176.094 0.001 0.000 1.051 18 V CA 1.024 63.322 62.300 -0.003 0.000 1.036 18 V CB -0.313 31.512 31.823 0.004 0.000 0.654 18 V HN 0.189 nan 8.190 nan 0.000 0.451 19 I N 0.730 121.299 120.570 -0.002 0.000 2.315 19 I HA -0.145 4.025 4.170 -0.000 0.000 0.248 19 I C 2.573 178.690 176.117 -0.000 0.000 1.117 19 I CA 1.638 62.939 61.300 0.002 0.000 1.404 19 I CB -0.868 37.131 38.000 -0.001 0.000 1.071 19 I HN 0.403 nan 8.210 nan 0.000 0.419 20 G N 0.873 109.669 108.800 -0.008 0.000 2.422 20 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 20 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 20 G C 1.428 176.324 174.900 -0.006 0.000 1.146 20 G CA 0.613 45.708 45.100 -0.009 0.000 0.769 20 G HN 0.294 nan 8.290 nan 0.000 0.547 21 N N 1.407 120.104 118.700 -0.006 0.000 2.142 21 N HA -0.085 4.655 4.740 -0.000 0.000 0.186 21 N C 1.982 177.494 175.510 0.004 0.000 1.023 21 N CA 0.962 54.009 53.050 -0.005 0.000 0.852 21 N CB -0.392 38.091 38.487 -0.007 0.000 0.998 21 N HN 0.201 nan 8.380 nan 0.000 0.424 22 N N 1.114 119.821 118.700 0.012 0.000 2.120 22 N HA -0.020 4.719 4.740 -0.000 0.000 0.188 22 N C 1.892 177.413 175.510 0.018 0.000 1.024 22 N CA 0.512 53.576 53.050 0.022 0.000 0.852 22 N CB -0.269 38.234 38.487 0.028 0.000 1.003 22 N HN 0.322 nan 8.380 nan 0.000 0.424 23 I N 1.039 121.616 120.570 0.011 0.000 2.286 23 I HA -0.143 4.027 4.170 -0.000 0.000 0.248 23 I C 1.355 177.476 176.117 0.006 0.000 1.115 23 I CA 0.199 61.504 61.300 0.008 0.000 1.392 23 I CB -0.401 37.601 38.000 0.004 0.000 1.065 23 I HN 0.032 nan 8.210 nan 0.000 0.418 72 L N 1.897 123.165 121.223 0.074 0.000 2.360 72 L HA 0.699 5.039 4.340 -0.000 0.000 0.271 72 L C 0.021 176.921 176.870 0.051 0.000 1.057 72 L CA -0.648 54.243 54.840 0.084 0.000 0.803 72 L CB 1.785 43.940 42.059 0.161 0.000 1.207 72 L HN 0.495 nan 8.230 nan 0.000 0.445 73 D N 1.334 121.761 120.400 0.044 0.000 2.476 73 D HA 0.386 5.026 4.640 -0.000 0.000 0.251 73 D C -1.088 175.252 176.300 0.066 0.000 1.291 73 D CA -0.136 53.874 54.000 0.017 0.000 0.939 73 D CB 1.936 42.736 40.800 -0.001 0.000 1.221 73 D HN 0.324 nan 8.370 nan 0.000 0.567 74 V N 1.463 121.440 119.914 0.105 0.000 2.575 74 V HA 0.667 4.787 4.120 -0.000 0.000 0.281 74 V C 0.316 176.587 176.094 0.296 0.000 1.087 74 V CA -0.700 61.718 62.300 0.195 0.000 1.193 74 V CB 0.320 32.293 31.823 0.250 0.000 1.426 74 V HN 0.491 nan 8.190 nan 0.000 0.623 75 A N 1.759 124.689 122.820 0.184 0.000 2.346 75 A HA 0.817 5.137 4.320 -0.000 0.000 0.252 75 A C -0.169 177.519 177.584 0.173 0.000 1.089 75 A CA -0.323 51.843 52.037 0.215 0.000 0.797 75 A CB 0.508 19.568 19.000 0.099 0.000 1.047 75 A HN 0.717 nan 8.150 nan 0.000 0.494 76 I N 1.321 121.962 120.570 0.118 0.000 2.382 76 I HA 0.141 4.310 4.170 -0.000 0.000 0.285 76 I C 1.117 177.216 176.117 -0.030 0.000 1.007 76 I CA -0.085 61.214 61.300 -0.003 0.000 1.142 76 I CB 2.034 39.935 38.000 -0.165 0.000 1.289 76 I HN 0.789 nan 8.210 nan 0.000 0.453 77 S N 4.317 120.006 115.700 -0.019 0.000 2.562 77 S HA 0.175 4.644 4.470 -0.000 0.000 0.221 77 S C 0.718 175.288 174.600 -0.049 0.000 0.975 77 S CA -0.105 58.080 58.200 -0.025 0.000 0.918 77 S CB 0.049 63.245 63.200 -0.007 0.000 0.772 77 S HN 0.590 nan 8.310 nan 0.000 0.531 78 Q N 1.091 120.849 119.800 -0.070 0.000 2.293 78 Q HA 0.386 4.726 4.340 -0.000 0.000 0.216 78 Q C -0.572 175.347 176.000 -0.136 0.000 1.003 78 Q CA -0.791 54.966 55.803 -0.076 0.000 0.995 78 Q CB 0.435 29.146 28.738 -0.045 0.000 1.172 78 Q HN 0.238 nan 8.270 nan 0.000 0.518 79 N N -0.593 118.043 118.700 -0.107 0.000 2.513 79 N HA 0.442 5.182 4.740 -0.000 0.000 0.274 79 N C -0.347 175.150 175.510 -0.022 0.000 1.189 79 N CA 0.835 53.808 53.050 -0.129 0.000 0.975 79 N CB 1.018 39.458 38.487 -0.078 0.000 1.157 79 N HN 0.719 nan 8.380 nan 0.000 0.465 80 G N 0.648 109.430 108.800 -0.029 0.000 2.640 80 G HA2 0.024 3.984 3.960 -0.000 0.000 0.686 80 G HA3 0.024 3.984 3.960 -0.000 0.000 0.686 80 G C -1.626 173.096 174.900 -0.296 0.000 1.229 80 G CA -0.889 44.288 45.100 0.127 0.000 0.796 80 G HN 0.336 nan 8.290 nan 0.000 0.654 81 F N 0.100 120.050 119.950 -0.000 0.000 2.563 81 F HA 0.770 5.297 4.527 0.000 0.000 0.316 81 F C 0.493 176.270 175.800 -0.039 0.000 1.076 81 F CA -0.885 57.141 58.000 0.044 0.000 0.921 81 F CB 1.609 40.801 39.000 0.319 0.000 1.209 81 F HN 0.445 nan 8.300 nan 0.000 0.462 82 F N 1.385 121.550 119.950 0.358 0.000 2.496 82 F HA 0.335 4.862 4.527 -0.000 0.000 0.344 82 F C 0.623 176.600 175.800 0.295 0.000 1.155 82 F CA -0.333 57.821 58.000 0.255 0.000 1.302 82 F CB 0.488 39.657 39.000 0.283 0.000 1.159 82 F HN 0.266 nan 8.300 nan 0.000 0.595 83 R N 3.378 124.078 120.500 0.333 0.000 2.310 83 R HA 0.519 4.859 4.340 -0.000 0.000 0.324 83 R C -1.782 174.531 176.300 0.021 0.000 0.955 83 R CA -0.544 55.608 56.100 0.086 0.000 0.830 83 R CB 0.484 30.821 30.300 0.062 0.000 1.154 83 R HN 0.478 nan 8.270 nan 0.000 0.458 84 L N 4.772 125.982 121.223 -0.023 0.000 2.319 84 L HA 0.596 4.936 4.340 -0.000 0.000 0.267 84 L C -0.126 176.769 176.870 0.041 0.000 1.011 84 L CA -1.058 53.811 54.840 0.048 0.000 0.818 84 L CB 1.501 43.650 42.059 0.150 0.000 1.316 84 L HN 0.493 nan 8.230 nan 0.000 0.432 85 V N -1.760 118.196 119.914 0.068 0.000 2.823 85 V HA 0.699 4.819 4.120 -0.000 0.000 0.312 85 V C -0.583 175.598 176.094 0.145 0.000 1.072 85 V CA -0.943 61.418 62.300 0.101 0.000 0.937 85 V CB 1.927 33.762 31.823 0.021 0.000 1.013 85 V HN 0.840 nan 8.190 nan 0.000 0.430 86 D N 2.431 122.964 120.400 0.223 0.000 2.433 86 D HA 0.246 4.886 4.640 -0.000 0.000 0.255 86 D C 1.325 177.673 176.300 0.079 0.000 1.226 86 D CA 0.136 54.221 54.000 0.143 0.000 1.015 86 D CB 0.976 41.885 40.800 0.181 0.000 1.091 86 D HN 0.771 nan 8.370 nan 0.000 0.527 87 S N -1.121 114.609 115.700 0.050 0.000 2.515 87 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 87 S C 0.968 175.586 174.600 0.029 0.000 0.987 87 S CA 0.398 58.615 58.200 0.029 0.000 0.936 87 S CB -0.852 62.358 63.200 0.016 0.000 0.766 87 S HN 0.564 nan 8.310 nan 0.000 0.528 88 N N 0.834 119.561 118.700 0.044 0.000 2.398 88 N HA 0.243 4.983 4.740 -0.000 0.000 0.188 88 N C 1.055 176.581 175.510 0.027 0.000 1.122 88 N CA 0.279 53.351 53.050 0.036 0.000 0.866 88 N CB 0.190 38.703 38.487 0.044 0.000 0.970 88 N HN 0.633 nan 8.380 nan 0.000 0.462 89 G N 0.486 109.305 108.800 0.030 0.000 2.175 89 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 89 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 89 G C 0.036 174.922 174.900 -0.023 0.000 0.982 89 G CA -0.138 44.965 45.100 0.006 0.000 0.641 89 G HN 0.285 nan 8.290 nan 0.000 0.527 90 S N -0.255 115.438 115.700 -0.013 0.000 2.564 90 S HA 0.511 4.981 4.470 -0.000 0.000 0.278 90 S C 0.528 174.939 174.600 -0.315 0.000 1.333 90 S CA -0.106 58.002 58.200 -0.154 0.000 1.048 90 S CB 2.110 65.239 63.200 -0.117 0.000 0.900 90 S HN 0.732 nan 8.310 nan 0.000 0.505 91 V N 3.999 123.594 119.914 -0.531 0.000 2.483 91 V HA 0.609 4.729 4.120 -0.000 0.000 0.295 91 V C -0.658 174.912 176.094 -0.874 0.000 1.035 91 V CA -0.436 61.568 62.300 -0.493 0.000 0.896 91 V CB 0.564 32.220 31.823 -0.278 0.000 0.986 91 V HN 0.738 nan 8.190 nan 0.000 0.447 92 F N 2.713 122.460 119.950 -0.338 0.000 2.650 92 F HA 0.768 5.295 4.527 0.000 0.000 0.320 92 F C -0.844 174.611 175.800 -0.576 0.000 1.091 92 F CA -0.989 56.850 58.000 -0.268 0.000 0.962 92 F CB 1.912 40.881 39.000 -0.051 0.000 1.363 92 F HN 0.300 nan 8.300 nan 0.000 0.482 93 Y N -0.181 120.366 120.300 0.413 0.000 2.492 93 Y HA 0.618 5.168 4.550 -0.000 0.000 0.346 93 Y C -0.277 175.947 175.900 0.539 0.000 0.997 93 Y CA -0.889 57.443 58.100 0.387 0.000 1.025 93 Y CB 2.386 40.948 38.460 0.170 0.000 1.263 93 Y HN 0.520 nan 8.280 nan 0.000 0.454 94 S N 1.080 117.253 115.700 0.788 0.000 2.543 94 S HA 0.426 4.896 4.470 -0.000 0.000 0.274 94 S C -0.153 174.854 174.600 0.678 0.000 1.149 94 S CA -0.833 57.830 58.200 0.772 0.000 0.866 94 S CB 1.211 64.710 63.200 0.498 0.000 1.111 94 S HN 0.806 nan 8.310 nan 0.000 0.457 95 R N 1.358 122.144 120.500 0.477 0.000 2.275 95 R HA 0.146 4.486 4.340 -0.000 0.000 0.199 95 R C -0.177 176.314 176.300 0.318 0.000 0.989 95 R CA 0.047 56.273 56.100 0.211 0.000 1.016 95 R CB -0.201 30.088 30.300 -0.017 0.000 0.918 95 R HN 0.461 nan 8.270 nan 0.000 0.473 96 N N 0.930 119.805 118.700 0.292 0.000 2.411 96 N HA -0.021 4.719 4.740 -0.000 0.000 0.261 96 N C 0.494 176.043 175.510 0.064 0.000 1.248 96 N CA 0.485 53.614 53.050 0.133 0.000 0.885 96 N CB 1.139 39.649 38.487 0.037 0.000 1.062 96 N HN 0.224 nan 8.380 nan 0.000 0.471 97 G N 1.336 110.106 108.800 -0.050 0.000 4.098 97 G HA2 0.083 4.043 3.960 -0.000 0.000 0.300 97 G HA3 0.083 4.043 3.960 -0.000 0.000 0.300 97 G C -0.276 174.206 174.900 -0.697 0.000 1.187 97 G CA -0.261 44.652 45.100 -0.312 0.000 0.964 97 G HN 0.356 nan 8.290 nan 0.000 0.559 98 Q N 0.630 119.935 119.800 -0.825 0.000 2.390 98 Q HA 0.597 4.937 4.340 -0.000 0.000 0.249 98 Q C -1.072 174.445 176.000 -0.805 0.000 0.996 98 Q CA -0.144 55.313 55.803 -0.577 0.000 0.899 98 Q CB 1.221 29.783 28.738 -0.293 0.000 1.216 98 Q HN 0.279 nan 8.270 nan 0.000 0.465 99 F N 0.626 120.535 119.950 -0.069 0.000 2.551 99 F HA 0.563 5.090 4.527 0.000 0.000 0.316 99 F C 0.217 175.997 175.800 -0.034 0.000 1.089 99 F CA -0.970 56.987 58.000 -0.071 0.000 0.915 99 F CB 1.779 40.713 39.000 -0.110 0.000 1.186 99 F HN 0.111 nan 8.300 nan 0.000 0.456 100 K N 1.835 122.333 120.400 0.162 0.000 2.259 100 K HA 0.571 4.891 4.320 -0.000 0.000 0.249 100 K C -1.520 175.127 176.600 0.079 0.000 0.942 100 K CA -1.162 55.184 56.287 0.097 0.000 0.816 100 K CB 2.603 35.133 32.500 0.050 0.000 1.155 100 K HN 0.418 nan 8.250 nan 0.000 0.428 101 L N 4.344 125.603 121.223 0.060 0.000 2.295 101 L HA 0.117 4.457 4.340 -0.000 0.000 0.288 101 L C -0.323 176.542 176.870 -0.009 0.000 1.079 101 L CA 0.013 54.851 54.840 -0.003 0.000 0.830 101 L CB -0.224 41.812 42.059 -0.039 0.000 1.200 101 L HN 0.614 nan 8.230 nan 0.000 0.438 102 D N 2.423 122.812 120.400 -0.019 0.000 2.478 102 D HA 0.052 4.692 4.640 -0.000 0.000 0.269 102 D C 0.562 176.847 176.300 -0.026 0.000 1.232 102 D CA -0.156 53.835 54.000 -0.015 0.000 1.059 102 D CB 0.449 41.243 40.800 -0.010 0.000 1.104 102 D HN 0.581 nan 8.370 nan 0.000 0.566 103 E N -1.116 119.072 120.200 -0.019 0.000 2.204 103 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 103 E C 1.068 177.652 176.600 -0.027 0.000 0.989 103 E CA 0.583 56.970 56.400 -0.021 0.000 0.824 103 E CB -0.098 29.593 29.700 -0.014 0.000 0.756 103 E HN 0.345 nan 8.360 nan 0.000 0.477 104 N N 0.663 119.346 118.700 -0.028 0.000 2.521 104 N HA -0.021 4.719 4.740 -0.000 0.000 0.188 104 N C -0.087 175.396 175.510 -0.045 0.000 1.146 104 N CA 0.315 53.346 53.050 -0.031 0.000 0.893 104 N CB 0.261 38.733 38.487 -0.026 0.000 0.975 104 N HN 0.079 nan 8.380 nan 0.000 0.451 105 R N -0.693 119.772 120.500 -0.058 0.000 3.872 105 R HA -0.146 4.194 4.340 -0.000 0.000 0.341 105 R C -0.830 175.408 176.300 -0.103 0.000 1.172 105 R CA 0.356 56.401 56.100 -0.091 0.000 0.901 105 R CB -2.701 27.546 30.300 -0.088 0.000 1.422 105 R HN 0.472 nan 8.270 nan 0.000 0.523 106 N N 0.429 119.081 118.700 -0.081 0.000 2.495 106 N HA 0.489 5.229 4.740 -0.000 0.000 0.280 106 N C -0.069 175.387 175.510 -0.089 0.000 1.168 106 N CA -0.675 52.323 53.050 -0.087 0.000 0.978 106 N CB 0.898 39.348 38.487 -0.060 0.000 1.191 106 N HN -0.010 nan 8.380 nan 0.000 0.497 107 L N 1.934 123.082 121.223 -0.124 0.000 2.255 107 L HA 0.410 4.750 4.340 -0.000 0.000 0.289 107 L C -0.415 176.435 176.870 -0.034 0.000 1.046 107 L CA -0.791 53.979 54.840 -0.115 0.000 0.816 107 L CB 0.471 42.347 42.059 -0.305 0.000 1.197 107 L HN 0.318 nan 8.230 nan 0.000 0.427 108 V N 0.238 120.218 119.914 0.109 0.000 2.715 108 V HA 0.613 4.733 4.120 -0.000 0.000 0.310 108 V C -0.163 176.075 176.094 0.240 0.000 1.054 108 V CA -0.955 61.433 62.300 0.147 0.000 0.928 108 V CB 1.726 33.583 31.823 0.057 0.000 1.007 108 V HN 0.784 nan 8.190 nan 0.000 0.437 109 N N 3.224 122.037 118.700 0.188 0.000 2.374 109 N HA 0.220 4.960 4.740 -0.000 0.000 0.284 109 N C 0.725 176.228 175.510 -0.011 0.000 1.280 109 N CA -0.379 52.690 53.050 0.032 0.000 0.963 109 N CB 0.414 38.906 38.487 0.008 0.000 1.141 109 N HN 0.827 nan 8.380 nan 0.000 0.565 110 M N -1.220 118.348 119.600 -0.053 0.000 2.394 110 M HA -0.043 4.437 4.480 -0.000 0.000 0.264 110 M C 0.748 177.021 176.300 -0.045 0.000 1.073 110 M CA 1.272 56.543 55.300 -0.049 0.000 1.111 110 M CB -0.096 32.467 32.600 -0.061 0.000 1.401 110 M HN 0.543 nan 8.290 nan 0.000 0.448 111 Q N -0.646 119.122 119.800 -0.052 0.000 2.403 111 Q HA 0.193 4.533 4.340 -0.000 0.000 0.203 111 Q C 1.045 177.017 176.000 -0.048 0.000 0.932 111 Q CA 0.693 56.458 55.803 -0.064 0.000 0.945 111 Q CB 0.371 29.047 28.738 -0.104 0.000 1.045 111 Q HN 0.668 nan 8.270 nan 0.000 0.511 112 G N 0.214 109.000 108.800 -0.022 0.000 2.159 112 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.256 112 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.256 112 G C 0.095 174.996 174.900 0.003 0.000 0.977 112 G CA 0.012 45.107 45.100 -0.007 0.000 0.652 112 G HN 0.253 nan 8.290 nan 0.000 0.531 113 M N 0.363 119.966 119.600 0.005 0.000 2.243 113 M HA 0.347 4.827 4.480 -0.000 0.000 0.341 113 M C 0.711 177.043 176.300 0.054 0.000 1.130 113 M CA 0.394 55.711 55.300 0.029 0.000 1.162 113 M CB 0.655 33.269 32.600 0.023 0.000 1.497 113 M HN 0.237 nan 8.290 nan 0.000 0.456 114 Q N 2.087 121.909 119.800 0.037 0.000 2.278 114 Q HA 0.414 4.754 4.340 -0.000 0.000 0.257 114 Q C -1.033 174.946 176.000 -0.035 0.000 0.928 114 Q CA -0.804 54.996 55.803 -0.005 0.000 0.932 114 Q CB 1.664 30.391 28.738 -0.019 0.000 1.221 114 Q HN 0.459 nan 8.270 nan 0.000 0.434 115 L N 2.974 124.119 121.223 -0.131 0.000 2.453 115 L HA 0.169 4.509 4.340 -0.000 0.000 0.272 115 L C -0.086 176.677 176.870 -0.179 0.000 1.182 115 L CA 0.827 55.524 54.840 -0.238 0.000 0.858 115 L CB 0.738 42.389 42.059 -0.679 0.000 1.120 115 L HN 0.762 nan 8.230 nan 0.000 0.474 116 T N 1.683 116.159 114.554 -0.130 0.000 2.942 116 T HA 0.990 5.340 4.350 -0.000 0.000 0.289 116 T C -0.140 174.463 174.700 -0.161 0.000 1.044 116 T CA -0.199 61.827 62.100 -0.124 0.000 1.023 116 T CB 1.817 70.627 68.868 -0.097 0.000 1.123 116 T HN 1.020 nan 8.240 nan 0.000 0.512 117 G N -0.114 108.571 108.800 -0.192 0.000 2.441 117 G HA2 0.466 4.426 3.960 -0.000 0.000 0.294 117 G HA3 0.466 4.426 3.960 -0.000 0.000 0.294 117 G C -1.979 172.772 174.900 -0.249 0.000 1.393 117 G CA -1.049 43.871 45.100 -0.300 0.000 0.796 117 G HN 0.675 nan 8.290 nan 0.000 0.494 118 Y N 1.468 121.762 120.300 -0.010 0.000 2.442 118 Y HA 0.364 4.914 4.550 -0.000 0.000 0.330 118 Y C -1.364 174.530 175.900 -0.010 0.000 1.129 118 Y CA -1.700 56.396 58.100 -0.006 0.000 1.365 118 Y CB 0.394 38.853 38.460 -0.001 0.000 1.233 118 Y HN 0.233 nan 8.280 nan 0.000 0.529 119 P HA 0.265 nan 4.420 nan 0.000 0.274 119 P C -0.981 176.363 177.300 0.073 0.000 1.246 119 P CA -0.424 62.722 63.100 0.077 0.000 0.795 119 P CB 1.048 32.780 31.700 0.054 0.000 1.006 120 A N 1.432 124.279 122.820 0.047 0.000 2.306 120 A HA 0.690 5.010 4.320 -0.000 0.000 0.314 120 A C 0.268 177.867 177.584 0.024 0.000 1.164 120 A CA -0.170 51.889 52.037 0.037 0.000 0.822 120 A CB 0.143 19.164 19.000 0.035 0.000 1.130 120 A HN 0.641 nan 8.150 nan 0.000 0.496 121 T N -1.077 113.487 114.554 0.017 0.000 2.883 121 T HA 0.874 5.223 4.350 -0.000 0.000 0.296 121 T C 0.240 174.943 174.700 0.004 0.000 1.117 121 T CA -0.105 62.001 62.100 0.009 0.000 1.006 121 T CB 1.255 70.126 68.868 0.006 0.000 1.191 121 T HN 2.611 nan 8.240 nan 0.000 0.508 122 G N 0.317 109.117 108.800 0.001 0.000 2.757 122 G HA2 0.213 4.173 3.960 -0.000 0.000 0.638 122 G HA3 0.213 4.173 3.960 -0.000 0.000 0.638 122 G C -0.622 174.276 174.900 -0.003 0.000 1.344 122 G CA -0.437 44.661 45.100 -0.002 0.000 0.855 122 G HN 1.298 nan 8.290 nan 0.000 0.537 123 T N 2.631 117.181 114.554 -0.006 0.000 2.965 123 T HA 0.606 4.956 4.350 -0.000 0.000 0.306 123 T C -2.103 172.590 174.700 -0.011 0.000 0.991 123 T CA -0.437 61.658 62.100 -0.007 0.000 1.001 123 T CB 1.579 70.442 68.868 -0.009 0.000 0.984 123 T HN 0.726 nan 8.240 nan 0.000 0.446 124 P HA 0.406 nan 4.420 nan 0.000 0.272 124 P C -2.702 174.600 177.300 0.003 0.000 1.223 124 P CA -1.481 61.618 63.100 -0.002 0.000 0.784 124 P CB -0.186 31.514 31.700 0.000 0.000 0.923 125 P HA 0.101 nan 4.420 nan 0.000 0.266 125 P C -0.403 176.907 177.300 0.016 0.000 1.195 125 P CA 0.174 63.281 63.100 0.012 0.000 0.768 125 P CB 0.366 32.076 31.700 0.017 0.000 0.838 126 T N -0.292 114.270 114.554 0.014 0.000 2.864 126 T HA 0.581 4.931 4.350 -0.000 0.000 0.299 126 T C -0.455 174.254 174.700 0.015 0.000 1.166 126 T CA -0.870 61.238 62.100 0.014 0.000 1.007 126 T CB 0.964 69.835 68.868 0.005 0.000 1.219 126 T HN 0.041 nan 8.240 nan 0.000 0.506 127 I N 3.145 123.725 120.570 0.016 0.000 2.304 127 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 127 I C 0.887 176.981 176.117 -0.038 0.000 1.018 127 I CA -0.530 60.776 61.300 0.010 0.000 1.260 127 I CB 0.956 38.978 38.000 0.037 0.000 1.390 127 I HN 0.799 nan 8.210 nan 0.000 0.475 128 Q N 6.627 126.388 119.800 -0.065 0.000 2.299 128 Q HA 0.165 4.505 4.340 -0.000 0.000 0.246 128 Q C 0.300 176.173 176.000 -0.211 0.000 0.935 128 Q CA -0.469 55.272 55.803 -0.103 0.000 0.887 128 Q CB 1.061 29.752 28.738 -0.078 0.000 1.223 128 Q HN 0.709 nan 8.270 nan 0.000 0.439 129 Q N 1.473 121.166 119.800 -0.177 0.000 2.369 129 Q HA 0.044 4.384 4.340 -0.000 0.000 0.206 129 Q C 1.155 177.021 176.000 -0.223 0.000 0.963 129 Q CA 1.209 56.876 55.803 -0.227 0.000 0.894 129 Q CB -0.138 28.522 28.738 -0.129 0.000 0.965 129 Q HN 0.856 nan 8.270 nan 0.000 0.475 130 G N 0.451 109.159 108.800 -0.154 0.000 3.262 130 G HA2 0.430 4.390 3.960 -0.000 0.000 0.228 130 G HA3 0.430 4.390 3.960 -0.000 0.000 0.228 130 G C -0.053 174.803 174.900 -0.073 0.000 1.197 130 G CA 0.057 45.099 45.100 -0.097 0.000 0.819 130 G HN 0.414 nan 8.290 nan 0.000 0.531 131 A N 0.045 122.788 122.820 -0.128 0.000 2.303 131 A HA 0.585 4.905 4.320 -0.000 0.000 0.317 131 A C -0.093 177.607 177.584 0.192 0.000 1.149 131 A CA -0.743 51.304 52.037 0.017 0.000 0.822 131 A CB 0.634 19.654 19.000 0.033 0.000 1.131 131 A HN 0.316 nan 8.150 nan 0.000 0.493 132 N N 2.180 120.979 118.700 0.165 0.000 2.458 132 N HA 0.357 5.097 4.740 -0.000 0.000 0.270 132 N C -2.393 173.212 175.510 0.159 0.000 1.102 132 N CA -1.457 51.685 53.050 0.152 0.000 0.967 132 N CB 0.853 39.387 38.487 0.079 0.000 1.078 132 N HN 0.413 nan 8.380 nan 0.000 0.471 133 P HA 0.124 nan 4.420 nan 0.000 0.268 133 P C -1.460 175.822 177.300 -0.030 0.000 1.205 133 P CA -0.147 62.914 63.100 -0.065 0.000 0.771 133 P CB 1.198 32.802 31.700 -0.161 0.000 0.858 134 A N 3.926 126.718 122.820 -0.046 0.000 2.594 134 A HA 0.698 5.018 4.320 -0.000 0.000 0.291 134 A C -2.928 174.623 177.584 -0.055 0.000 1.105 134 A CA -2.018 49.999 52.037 -0.032 0.000 0.694 134 A CB 0.660 19.654 19.000 -0.009 0.000 1.291 134 A HN 0.252 nan 8.150 nan 0.000 0.410 135 P HA 0.062 nan 4.420 nan 0.000 0.261 135 P C -0.233 177.023 177.300 -0.075 0.000 1.183 135 P CA 0.226 63.288 63.100 -0.064 0.000 0.761 135 P CB 0.031 31.703 31.700 -0.047 0.000 0.785 136 I N 3.281 123.787 120.570 -0.107 0.000 2.683 136 I HA 0.021 4.191 4.170 -0.000 0.000 0.286 136 I C 1.136 177.192 176.117 -0.102 0.000 1.175 136 I CA 0.875 62.108 61.300 -0.111 0.000 1.429 136 I CB -0.289 37.616 38.000 -0.160 0.000 1.371 136 I HN 0.371 nan 8.210 nan 0.000 0.569 137 T N 4.703 119.207 114.554 -0.084 0.000 2.885 137 T HA 0.734 5.084 4.350 -0.000 0.000 0.285 137 T C -0.198 174.437 174.700 -0.109 0.000 1.019 137 T CA -0.708 61.338 62.100 -0.090 0.000 1.010 137 T CB 1.959 70.790 68.868 -0.061 0.000 1.022 137 T HN 0.335 nan 8.240 nan 0.000 0.466 138 I N 3.190 123.665 120.570 -0.159 0.000 2.621 138 I HA 0.295 4.465 4.170 -0.000 0.000 0.276 138 I C -2.490 173.526 176.117 -0.169 0.000 1.118 138 I CA -2.418 58.754 61.300 -0.213 0.000 1.159 138 I CB 1.206 38.941 38.000 -0.441 0.000 1.357 138 I HN 0.386 nan 8.210 nan 0.000 0.513 139 P HA 0.078 nan 4.420 nan 0.000 0.269 139 P C 0.124 177.410 177.300 -0.023 0.000 1.209 139 P CA -0.066 63.010 63.100 -0.042 0.000 0.776 139 P CB 0.511 32.208 31.700 -0.005 0.000 0.876 140 N N -0.828 117.861 118.700 -0.019 0.000 2.412 140 N HA -0.024 4.716 4.740 -0.000 0.000 0.184 140 N C 0.571 176.108 175.510 0.045 0.000 1.101 140 N CA 0.401 53.453 53.050 0.003 0.000 0.881 140 N CB -0.783 37.699 38.487 -0.009 0.000 0.969 140 N HN 0.272 nan 8.380 nan 0.000 0.459 141 T N 0.089 114.667 114.554 0.040 0.000 2.754 141 T HA 0.315 4.665 4.350 -0.000 0.000 0.286 141 T C 0.054 174.784 174.700 0.050 0.000 0.997 141 T CA -0.654 61.465 62.100 0.032 0.000 0.982 141 T CB 0.310 69.185 68.868 0.011 0.000 1.027 141 T HN 0.141 nan 8.240 nan 0.000 0.529 142 L N 1.435 122.666 121.223 0.013 0.000 2.488 142 L HA 0.626 4.966 4.340 -0.000 0.000 0.249 142 L C -0.129 176.705 176.870 -0.060 0.000 1.151 142 L CA -0.262 54.574 54.840 -0.007 0.000 0.806 142 L CB 0.778 42.826 42.059 -0.017 0.000 1.261 142 L HN 0.690 nan 8.230 nan 0.000 0.484 143 M N 1.199 120.731 119.600 -0.114 0.000 2.508 143 M HA 0.571 5.051 4.480 -0.000 0.000 0.327 143 M C -0.498 175.726 176.300 -0.126 0.000 1.160 143 M CA -0.598 54.589 55.300 -0.188 0.000 0.980 143 M CB 1.926 34.321 32.600 -0.341 0.000 1.693 143 M HN 0.677 nan 8.290 nan 0.000 0.452 144 A N 1.726 124.495 122.820 -0.085 0.000 2.286 144 A HA 0.846 5.166 4.320 -0.000 0.000 0.286 144 A C -0.275 177.301 177.584 -0.013 0.000 1.097 144 A CA -0.684 51.329 52.037 -0.040 0.000 0.821 144 A CB 0.521 19.514 19.000 -0.012 0.000 1.076 144 A HN 0.879 nan 8.150 nan 0.000 0.490 145 A N 0.931 123.753 122.820 0.004 0.000 2.388 145 A HA 0.546 4.866 4.320 -0.000 0.000 0.257 145 A C 0.243 177.883 177.584 0.094 0.000 1.095 145 A CA -0.197 51.859 52.037 0.032 0.000 0.791 145 A CB 0.143 19.155 19.000 0.019 0.000 1.029 145 A HN 0.814 nan 8.150 nan 0.000 0.489 146 K N 1.885 122.383 120.400 0.163 0.000 2.345 146 K HA 0.454 4.774 4.320 -0.000 0.000 0.255 146 K C -0.446 176.190 176.600 0.059 0.000 0.934 146 K CA -0.323 56.019 56.287 0.091 0.000 0.801 146 K CB 1.506 34.013 32.500 0.011 0.000 1.137 146 K HN 0.618 nan 8.250 nan 0.000 0.424 147 S N 1.915 117.638 115.700 0.038 0.000 2.548 147 S HA 0.127 4.597 4.470 -0.000 0.000 0.277 147 S C -0.453 174.144 174.600 -0.005 0.000 1.315 147 S CA -0.270 57.952 58.200 0.037 0.000 1.050 147 S CB 0.567 63.783 63.200 0.028 0.000 0.918 147 S HN 0.605 nan 8.310 nan 0.000 0.497 148 T N 3.545 118.088 114.554 -0.018 0.000 2.870 148 T HA 0.222 4.572 4.350 -0.000 0.000 0.300 148 T C 1.396 176.092 174.700 -0.007 0.000 0.989 148 T CA 0.130 62.178 62.100 -0.085 0.000 1.139 148 T CB 0.785 69.507 68.868 -0.243 0.000 0.920 148 T HN 0.840 nan 8.240 nan 0.000 0.537 149 T N -1.400 113.153 114.554 -0.002 0.000 2.975 149 T HA 0.234 4.584 4.350 -0.000 0.000 0.257 149 T C 0.729 175.488 174.700 0.099 0.000 1.003 149 T CA -0.154 61.990 62.100 0.075 0.000 0.932 149 T CB 0.256 69.137 68.868 0.022 0.000 1.087 149 T HN 0.679 nan 8.240 nan 0.000 0.512 150 T N -0.357 114.215 114.554 0.029 0.000 2.903 150 T HA 0.852 5.202 4.350 -0.000 0.000 0.299 150 T C -0.976 173.700 174.700 -0.039 0.000 1.093 150 T CA -0.545 61.578 62.100 0.039 0.000 1.002 150 T CB 2.052 70.913 68.868 -0.011 0.000 1.127 150 T HN 0.631 nan 8.240 nan 0.000 0.488 151 A N 1.427 124.254 122.820 0.012 0.000 2.606 151 A HA 0.950 5.270 4.320 -0.000 0.000 0.293 151 A C -0.458 177.076 177.584 -0.083 0.000 1.082 151 A CA -0.688 51.295 52.037 -0.090 0.000 0.685 151 A CB 1.488 20.360 19.000 -0.212 0.000 1.284 151 A HN 1.877 nan 8.150 nan 0.000 0.408 152 S N 0.130 115.757 115.700 -0.122 0.000 2.564 152 S HA 0.826 5.296 4.470 -0.000 0.000 0.274 152 S C -0.738 173.771 174.600 -0.152 0.000 1.124 152 S CA -0.541 57.563 58.200 -0.160 0.000 0.869 152 S CB 1.690 64.832 63.200 -0.097 0.000 1.105 152 S HN 1.384 nan 8.310 nan 0.000 0.472 153 M N 2.414 121.899 119.600 -0.191 0.000 2.224 153 M HA 0.386 4.866 4.480 -0.000 0.000 0.281 153 M C -1.750 174.598 176.300 0.081 0.000 1.025 153 M CA -0.169 55.112 55.300 -0.030 0.000 0.954 153 M CB 2.049 34.681 32.600 0.053 0.000 1.639 153 M HN 0.946 nan 8.290 nan 0.000 0.461 154 Q N 5.297 125.138 119.800 0.069 0.000 2.340 154 Q HA 0.611 4.951 4.340 -0.000 0.000 0.259 154 Q C -1.892 174.131 176.000 0.038 0.000 0.964 154 Q CA -0.396 55.453 55.803 0.076 0.000 0.900 154 Q CB 1.693 30.451 28.738 0.033 0.000 1.228 154 Q HN 0.888 nan 8.270 nan 0.000 0.449 155 I N 3.566 124.146 120.570 0.016 0.000 2.608 155 I HA 0.422 4.592 4.170 -0.000 0.000 0.295 155 I C -1.392 174.609 176.117 -0.193 0.000 1.049 155 I CA -0.917 60.296 61.300 -0.146 0.000 1.063 155 I CB 1.956 39.739 38.000 -0.361 0.000 1.248 155 I HN 0.597 nan 8.210 nan 0.000 0.424 156 N N 7.865 126.426 118.700 -0.232 0.000 2.437 156 N HA 0.484 5.224 4.740 -0.000 0.000 0.259 156 N C -1.221 174.061 175.510 -0.380 0.000 0.983 156 N CA -0.208 52.687 53.050 -0.259 0.000 0.937 156 N CB 1.763 40.149 38.487 -0.168 0.000 1.122 156 N HN 0.475 nan 8.380 nan 0.000 0.499 157 L N 1.695 122.593 121.223 -0.542 0.000 2.331 157 L HA 0.395 4.735 4.340 -0.000 0.000 0.275 157 L C 0.427 177.066 176.870 -0.385 0.000 1.022 157 L CA -0.989 53.432 54.840 -0.699 0.000 0.812 157 L CB 1.348 42.559 42.059 -1.413 0.000 1.257 157 L HN 0.391 nan 8.230 nan 0.000 0.435 158 N N 0.152 118.762 118.700 -0.149 0.000 2.420 158 N HA 0.047 4.787 4.740 -0.000 0.000 0.249 158 N C 0.913 176.531 175.510 0.180 0.000 1.033 158 N CA -0.010 53.051 53.050 0.018 0.000 0.944 158 N CB 1.339 39.858 38.487 0.053 0.000 1.113 158 N HN 0.605 nan 8.380 nan 0.000 0.502 159 S N 1.699 117.458 115.700 0.098 0.000 2.419 159 S HA -0.189 4.280 4.470 -0.000 0.000 0.235 159 S C 1.496 176.153 174.600 0.096 0.000 1.019 159 S CA 1.653 59.930 58.200 0.129 0.000 0.982 159 S CB -0.884 62.349 63.200 0.056 0.000 0.789 159 S HN 0.686 nan 8.310 nan 0.000 0.490 160 T N -1.826 112.771 114.554 0.071 0.000 3.148 160 T HA 0.190 4.540 4.350 -0.000 0.000 0.253 160 T C 0.115 174.845 174.700 0.050 0.000 1.134 160 T CA -0.130 61.997 62.100 0.045 0.000 1.051 160 T CB -0.645 68.240 68.868 0.028 0.000 0.959 160 T HN 0.230 nan 8.240 nan 0.000 0.525 161 D N 3.831 124.290 120.400 0.098 0.000 2.449 161 D HA 0.217 4.857 4.640 -0.000 0.000 0.236 161 D C -2.067 174.235 176.300 0.004 0.000 1.149 161 D CA -1.069 52.988 54.000 0.094 0.000 0.878 161 D CB 0.727 41.672 40.800 0.241 0.000 1.198 161 D HN 0.238 nan 8.370 nan 0.000 0.446 162 P HA 0.085 nan 4.420 nan 0.000 0.277 162 P C -0.748 176.512 177.300 -0.066 0.000 1.240 162 P CA -0.514 62.569 63.100 -0.029 0.000 0.798 162 P CB 0.710 32.406 31.700 -0.007 0.000 0.979 163 V N 4.393 124.258 119.914 -0.082 0.000 2.470 163 V HA 0.100 4.220 4.120 -0.000 0.000 0.276 163 V C -1.761 174.315 176.094 -0.030 0.000 1.040 163 V CA -1.079 61.171 62.300 -0.083 0.000 1.008 163 V CB -0.225 31.548 31.823 -0.083 0.000 0.990 163 V HN 0.582 nan 8.190 nan 0.000 0.477 164 P HA 0.060 nan 4.420 nan 0.000 0.264 164 P C 0.778 178.083 177.300 0.008 0.000 1.183 164 P CA 0.179 63.289 63.100 0.015 0.000 0.763 164 P CB 0.603 32.334 31.700 0.052 0.000 0.807 165 S N 2.090 117.790 115.700 -0.000 0.000 2.406 165 S HA 0.007 4.477 4.470 -0.000 0.000 0.224 165 S C 0.967 175.567 174.600 -0.000 0.000 1.030 165 S CA 0.406 58.604 58.200 -0.003 0.000 0.958 165 S CB -0.271 62.925 63.200 -0.008 0.000 0.811 165 S HN 0.210 nan 8.310 nan 0.000 0.489 166 K N 4.040 124.439 120.400 -0.003 0.000 2.419 166 K HA 0.179 4.499 4.320 -0.000 0.000 0.282 166 K C -0.008 176.597 176.600 0.008 0.000 1.056 166 K CA 0.448 56.730 56.287 -0.007 0.000 1.035 166 K CB 0.039 32.526 32.500 -0.022 0.000 0.921 166 K HN 0.639 nan 8.250 nan 0.000 0.472 167 T N 2.119 116.675 114.554 0.003 0.000 2.930 167 T HA 0.680 5.030 4.350 -0.000 0.000 0.290 167 T C -2.252 172.439 174.700 -0.016 0.000 1.052 167 T CA -1.790 60.316 62.100 0.009 0.000 1.017 167 T CB 1.512 70.391 68.868 0.018 0.000 1.137 167 T HN 0.227 nan 8.240 nan 0.000 0.511 168 P HA 0.397 nan 4.420 nan 0.000 0.279 168 P C -0.639 176.651 177.300 -0.016 0.000 1.282 168 P CA -0.983 62.115 63.100 -0.003 0.000 0.788 168 P CB 0.158 31.847 31.700 -0.018 0.000 1.139 169 F N 0.725 120.591 119.950 -0.141 0.000 2.608 169 F HA 0.310 4.837 4.527 -0.000 0.000 0.380 169 F C 0.263 175.896 175.800 -0.279 0.000 1.083 169 F CA 0.601 58.454 58.000 -0.245 0.000 1.266 169 F CB 0.022 38.692 39.000 -0.549 0.000 1.076 169 F HN 0.158 nan 8.300 nan 0.000 0.574 170 S N 5.383 120.347 115.700 -1.225 0.000 2.572 170 S HA 0.404 4.874 4.470 -0.000 0.000 0.274 170 S C 0.484 174.372 174.600 -1.187 0.000 1.150 170 S CA -0.335 57.198 58.200 -1.112 0.000 0.944 170 S CB 1.106 64.011 63.200 -0.492 0.000 1.071 170 S HN 1.144 nan 8.310 nan 0.000 0.479 171 V N 3.129 122.355 119.914 -1.146 0.000 2.688 171 V HA -0.009 4.111 4.120 -0.000 0.000 0.256 171 V C 1.478 177.422 176.094 -0.250 0.000 1.084 171 V CA 2.208 64.029 62.300 -0.798 0.000 1.103 171 V CB -1.088 30.402 31.823 -0.554 0.000 0.688 171 V HN 0.723 nan 8.190 nan 0.000 0.480 172 S N -0.341 115.225 115.700 -0.224 0.000 2.524 172 S HA 0.127 4.597 4.470 -0.000 0.000 0.216 172 S C 0.602 175.182 174.600 -0.034 0.000 0.987 172 S CA 0.475 58.630 58.200 -0.077 0.000 0.909 172 S CB -0.171 62.972 63.200 -0.095 0.000 0.781 172 S HN 0.731 nan 8.310 nan 0.000 0.521 173 D N 1.223 121.587 120.400 -0.061 0.000 2.454 173 D HA 0.586 5.226 4.640 -0.000 0.000 0.225 173 D C 0.607 176.875 176.300 -0.055 0.000 1.081 173 D CA -0.359 53.609 54.000 -0.055 0.000 0.864 173 D CB 1.067 41.808 40.800 -0.099 0.000 1.040 173 D HN 0.050 nan 8.370 nan 0.000 0.517 174 A N 3.447 126.217 122.820 -0.084 0.000 2.172 174 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 174 A C 1.189 178.501 177.584 -0.454 0.000 1.154 174 A CA 0.972 52.842 52.037 -0.277 0.000 0.701 174 A CB -0.093 18.858 19.000 -0.082 0.000 0.789 174 A HN 0.575 nan 8.150 nan 0.000 0.465 175 D N -0.960 119.293 120.400 -0.245 0.000 2.388 175 D HA 0.022 4.662 4.640 -0.000 0.000 0.221 175 D C 1.130 177.355 176.300 -0.125 0.000 1.133 175 D CA 0.758 54.649 54.000 -0.182 0.000 0.831 175 D CB -0.494 40.251 40.800 -0.093 0.000 0.962 175 D HN 0.353 nan 8.370 nan 0.000 0.502 176 S N -1.036 114.589 115.700 -0.125 0.000 2.556 176 S HA 0.154 4.624 4.470 -0.000 0.000 0.216 176 S C 0.208 174.973 174.600 0.275 0.000 0.970 176 S CA -0.575 57.660 58.200 0.059 0.000 0.912 176 S CB -0.673 62.558 63.200 0.052 0.000 0.790 176 S HN 0.434 nan 8.310 nan 0.000 0.504 177 Y N -1.093 119.358 120.300 0.252 0.000 2.609 177 Y HA 0.739 5.289 4.550 -0.000 0.000 0.342 177 Y C 0.228 176.300 175.900 0.287 0.000 1.058 177 Y CA -1.442 56.854 58.100 0.327 0.000 1.055 177 Y CB 0.223 38.986 38.460 0.505 0.000 1.292 177 Y HN -0.188 nan 8.280 nan 0.000 0.476 178 N N 0.149 119.171 118.700 0.535 0.000 2.405 178 N HA 0.131 4.871 4.740 -0.000 0.000 0.175 178 N C -0.774 175.003 175.510 0.444 0.000 1.051 178 N CA 0.407 53.713 53.050 0.427 0.000 0.899 178 N CB 0.351 39.168 38.487 0.550 0.000 1.000 178 N HN 0.514 nan 8.380 nan 0.000 0.451 179 K N -0.001 120.780 120.400 0.636 0.000 2.598 179 K HA 0.300 4.620 4.320 -0.000 0.000 0.271 179 K C -2.063 174.854 176.600 0.529 0.000 0.947 179 K CA -0.699 55.875 56.287 0.478 0.000 0.854 179 K CB 1.372 33.994 32.500 0.204 0.000 1.401 179 K HN -0.117 nan 8.250 nan 0.000 0.415 180 K N 1.893 122.484 120.400 0.319 0.000 2.378 180 K HA 0.805 5.125 4.320 -0.000 0.000 0.252 180 K C -0.859 175.762 176.600 0.034 0.000 0.931 180 K CA -0.737 55.544 56.287 -0.011 0.000 0.794 180 K CB 1.760 34.164 32.500 -0.160 0.000 1.181 180 K HN 0.705 nan 8.250 nan 0.000 0.425 181 G N 0.997 109.798 108.800 0.001 0.000 2.730 181 G HA2 0.608 4.568 3.960 -0.000 0.000 0.289 181 G HA3 0.608 4.568 3.960 -0.000 0.000 0.289 181 G C -1.347 173.539 174.900 -0.024 0.000 1.341 181 G CA -0.523 44.603 45.100 0.044 0.000 0.932 181 G HN 0.481 nan 8.290 nan 0.000 0.481 182 T N -0.709 113.847 114.554 0.003 0.000 2.893 182 T HA 0.623 4.973 4.350 -0.000 0.000 0.293 182 T C -1.343 173.352 174.700 -0.007 0.000 1.027 182 T CA -0.486 61.607 62.100 -0.011 0.000 0.988 182 T CB 1.904 70.764 68.868 -0.014 0.000 1.043 182 T HN 0.890 nan 8.240 nan 0.000 0.461 183 V N 2.390 122.288 119.914 -0.026 0.000 2.668 183 V HA 0.596 4.716 4.120 -0.000 0.000 0.304 183 V C -0.714 175.310 176.094 -0.116 0.000 1.071 183 V CA -0.333 61.928 62.300 -0.065 0.000 0.894 183 V CB 2.206 33.981 31.823 -0.080 0.000 1.008 183 V HN 0.966 nan 8.190 nan 0.000 0.425 184 T N 6.776 121.246 114.554 -0.140 0.000 2.743 184 T HA 0.554 4.904 4.350 -0.000 0.000 0.293 184 T C -0.093 174.375 174.700 -0.388 0.000 0.945 184 T CA 0.079 62.038 62.100 -0.235 0.000 1.030 184 T CB 0.952 69.706 68.868 -0.190 0.000 0.912 184 T HN 1.050 nan 8.240 nan 0.000 0.483 185 V N 2.154 121.773 119.914 -0.491 0.000 3.177 185 V HA 0.805 4.925 4.120 -0.000 0.000 0.319 185 V C -1.503 174.155 176.094 -0.727 0.000 1.125 185 V CA -1.117 60.850 62.300 -0.556 0.000 1.029 185 V CB 1.369 32.804 31.823 -0.646 0.000 1.119 185 V HN 0.737 nan 8.190 nan 0.000 0.452 186 Y N 0.159 120.387 120.300 -0.120 0.000 2.499 186 Y HA 0.652 5.202 4.550 -0.000 0.000 0.347 186 Y C -0.137 175.718 175.900 -0.075 0.000 0.987 186 Y CA -0.747 57.343 58.100 -0.017 0.000 1.044 186 Y CB 1.651 40.121 38.460 0.015 0.000 1.245 186 Y HN 0.971 nan 8.280 nan 0.000 0.461 187 D N -1.328 119.147 120.400 0.125 0.000 2.478 187 D HA 0.237 4.877 4.640 -0.000 0.000 0.263 187 D C 0.485 176.852 176.300 0.112 0.000 1.153 187 D CA -0.709 53.330 54.000 0.065 0.000 1.038 187 D CB 0.691 41.548 40.800 0.095 0.000 1.120 187 D HN 0.367 nan 8.370 nan 0.000 0.564 188 S N -1.306 114.440 115.700 0.076 0.000 2.481 188 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 188 S C 1.506 176.148 174.600 0.071 0.000 0.996 188 S CA 0.408 58.648 58.200 0.066 0.000 0.942 188 S CB -0.332 62.895 63.200 0.044 0.000 0.768 188 S HN 0.477 nan 8.310 nan 0.000 0.520 189 Q N 0.385 120.237 119.800 0.087 0.000 2.378 189 Q HA 0.091 4.431 4.340 -0.000 0.000 0.205 189 Q C 1.389 177.446 176.000 0.094 0.000 0.954 189 Q CA 0.642 56.493 55.803 0.079 0.000 0.901 189 Q CB 0.030 28.817 28.738 0.080 0.000 0.981 189 Q HN 0.741 nan 8.270 nan 0.000 0.483 190 G N 1.442 110.326 108.800 0.140 0.000 2.157 190 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.239 190 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.239 190 G C -0.078 174.985 174.900 0.272 0.000 0.982 190 G CA -0.126 45.082 45.100 0.179 0.000 0.650 190 G HN 0.241 nan 8.290 nan 0.000 0.527 191 N N 1.019 119.861 118.700 0.236 0.000 2.492 191 N HA 0.461 5.201 4.740 -0.000 0.000 0.260 191 N C 0.569 176.238 175.510 0.265 0.000 1.215 191 N CA 0.830 53.995 53.050 0.192 0.000 0.923 191 N CB 1.153 39.697 38.487 0.095 0.000 1.092 191 N HN 0.737 nan 8.380 nan 0.000 0.448 192 A N 2.710 125.602 122.820 0.119 0.000 2.366 192 A HA 0.228 4.548 4.320 -0.000 0.000 0.272 192 A C -0.335 177.196 177.584 -0.088 0.000 1.135 192 A CA -0.401 51.573 52.037 -0.105 0.000 0.804 192 A CB 0.142 19.081 19.000 -0.103 0.000 1.064 192 A HN 0.696 nan 8.150 nan 0.000 0.499 193 H N 2.317 121.231 119.070 -0.261 0.000 2.551 193 H HA 0.175 4.731 4.556 -0.000 0.000 0.321 193 H C -1.139 174.082 175.328 -0.178 0.000 1.028 193 H CA -0.892 55.059 56.048 -0.162 0.000 1.215 193 H CB 1.444 31.141 29.762 -0.109 0.000 1.414 193 H HN 0.633 nan 8.280 nan 0.000 0.480 194 D N 4.619 125.000 120.400 -0.033 0.000 2.402 194 D HA 0.073 4.713 4.640 -0.000 0.000 0.235 194 D C 0.354 176.653 176.300 -0.001 0.000 1.226 194 D CA -0.181 53.797 54.000 -0.037 0.000 0.918 194 D CB 0.658 41.441 40.800 -0.028 0.000 1.043 194 D HN 0.294 nan 8.370 nan 0.000 0.506 195 M N 1.941 121.542 119.600 0.003 0.000 2.108 195 M HA 0.144 4.624 4.480 -0.000 0.000 0.347 195 M C 0.226 176.553 176.300 0.045 0.000 1.326 195 M CA -0.182 55.151 55.300 0.055 0.000 1.126 195 M CB -0.413 32.247 32.600 0.100 0.000 1.606 195 M HN 0.038 nan 8.290 nan 0.000 0.462 196 N N 1.675 120.418 118.700 0.072 0.000 2.499 196 N HA 0.515 5.255 4.740 -0.000 0.000 0.281 196 N C -1.001 174.494 175.510 -0.025 0.000 1.098 196 N CA -0.535 52.503 53.050 -0.019 0.000 0.979 196 N CB 1.719 40.221 38.487 0.025 0.000 1.121 196 N HN 0.327 nan 8.380 nan 0.000 0.466 197 V N 2.995 122.776 119.914 -0.222 0.000 2.483 197 V HA 0.344 4.464 4.120 -0.000 0.000 0.297 197 V C -1.174 174.690 176.094 -0.384 0.000 1.027 197 V CA -0.736 61.474 62.300 -0.150 0.000 0.855 197 V CB 0.398 32.223 31.823 0.003 0.000 0.995 197 V HN 0.568 nan 8.190 nan 0.000 0.424 198 Y N 3.901 124.080 120.300 -0.201 0.000 2.364 198 Y HA 0.705 5.255 4.550 0.000 0.000 0.340 198 Y C -0.488 175.227 175.900 -0.309 0.000 0.975 198 Y CA -0.904 57.088 58.100 -0.179 0.000 1.089 198 Y CB 1.855 40.194 38.460 -0.201 0.000 1.192 198 Y HN 0.523 nan 8.280 nan 0.000 0.454 199 F N 2.376 122.474 119.950 0.247 0.000 2.426 199 F HA 0.622 5.149 4.527 -0.000 0.000 0.348 199 F C -0.530 175.516 175.800 0.410 0.000 1.124 199 F CA -1.137 57.030 58.000 0.278 0.000 1.008 199 F CB 1.361 40.491 39.000 0.216 0.000 1.139 199 F HN 0.057 nan 8.300 nan 0.000 0.452 200 V N 3.747 123.943 119.914 0.470 0.000 2.409 200 V HA 0.260 4.379 4.120 -0.000 0.000 0.290 200 V C -0.080 176.125 176.094 0.186 0.000 1.017 200 V CA -1.364 61.139 62.300 0.339 0.000 0.841 200 V CB 1.523 33.488 31.823 0.237 0.000 1.003 200 V HN 0.641 nan 8.190 nan 0.000 0.426 201 K N 2.639 122.994 120.400 -0.074 0.000 2.416 201 K HA 0.121 4.441 4.320 -0.000 0.000 0.283 201 K C 1.184 177.605 176.600 -0.298 0.000 1.037 201 K CA 0.663 56.569 56.287 -0.635 0.000 0.995 201 K CB 0.896 32.754 32.500 -1.070 0.000 0.938 201 K HN 0.906 nan 8.250 nan 0.000 0.475 202 T N 1.148 115.545 114.554 -0.261 0.000 3.042 202 T HA 0.067 4.417 4.350 -0.000 0.000 0.245 202 T C 0.209 174.829 174.700 -0.133 0.000 1.029 202 T CA 0.200 62.224 62.100 -0.126 0.000 1.120 202 T CB -0.024 68.805 68.868 -0.066 0.000 0.917 202 T HN 0.738 nan 8.240 nan 0.000 0.467 203 K N -0.202 120.089 120.400 -0.182 0.000 2.670 203 K HA 0.407 4.727 4.320 -0.000 0.000 0.289 203 K C -2.104 174.399 176.600 -0.161 0.000 1.045 203 K CA -1.084 55.120 56.287 -0.137 0.000 0.834 203 K CB -0.056 32.399 32.500 -0.074 0.000 1.531 203 K HN -0.245 nan 8.250 nan 0.000 0.376 204 D N 1.732 122.077 120.400 -0.091 0.000 2.531 204 D HA 0.030 4.670 4.640 -0.000 0.000 0.239 204 D C -0.085 176.212 176.300 -0.005 0.000 1.144 204 D CA 1.072 55.042 54.000 -0.051 0.000 0.869 204 D CB -0.148 40.644 40.800 -0.012 0.000 1.160 204 D HN 0.654 nan 8.370 nan 0.000 0.484 205 N N 1.141 119.876 118.700 0.057 0.000 2.828 205 N HA -0.222 4.518 4.740 -0.000 0.000 0.248 205 N C -0.681 175.022 175.510 0.323 0.000 1.044 205 N CA 1.017 54.214 53.050 0.246 0.000 0.851 205 N CB -0.801 37.809 38.487 0.205 0.000 1.136 205 N HN 0.641 nan 8.380 nan 0.000 0.572 206 E N -0.985 119.272 120.200 0.095 0.000 2.272 206 E HA 0.465 4.815 4.350 -0.000 0.000 0.269 206 E C -0.928 175.645 176.600 -0.046 0.000 0.877 206 E CA -0.532 55.943 56.400 0.124 0.000 0.755 206 E CB 1.173 30.888 29.700 0.025 0.000 1.192 206 E HN 0.099 nan 8.360 nan 0.000 0.422 207 W N 1.362 122.723 121.300 0.101 0.000 2.756 207 W HA 0.496 5.156 4.660 0.000 0.000 0.333 207 W C -0.334 176.183 176.519 -0.003 0.000 1.025 207 W CA -0.566 56.844 57.345 0.108 0.000 1.246 207 W CB 1.523 31.121 29.460 0.230 0.000 1.358 207 W HN 0.531 nan 8.180 nan 0.000 0.444 208 A N 2.271 125.165 122.820 0.123 0.000 2.388 208 A HA 0.717 5.037 4.320 -0.000 0.000 0.257 208 A C -0.689 176.788 177.584 -0.178 0.000 1.095 208 A CA -0.329 51.650 52.037 -0.096 0.000 0.791 208 A CB 0.516 19.419 19.000 -0.162 0.000 1.029 208 A HN 0.489 nan 8.150 nan 0.000 0.489 209 V N 3.009 122.673 119.914 -0.416 0.000 2.444 209 V HA 0.368 4.488 4.120 -0.000 0.000 0.294 209 V C -1.198 174.579 176.094 -0.527 0.000 1.022 209 V CA -0.324 61.685 62.300 -0.485 0.000 0.850 209 V CB 0.715 32.217 31.823 -0.536 0.000 0.992 209 V HN 0.773 nan 8.190 nan 0.000 0.426 210 Y N 2.251 122.376 120.300 -0.292 0.000 2.420 210 Y HA 0.720 5.269 4.550 -0.000 0.000 0.334 210 Y C 0.819 176.742 175.900 0.038 0.000 1.094 210 Y CA -0.633 57.378 58.100 -0.149 0.000 1.126 210 Y CB 2.263 40.523 38.460 -0.335 0.000 1.217 210 Y HN 0.710 nan 8.280 nan 0.000 0.462 211 T N -1.177 113.531 114.554 0.256 0.000 2.907 211 T HA 0.656 5.006 4.350 -0.000 0.000 0.292 211 T C -1.646 173.275 174.700 0.368 0.000 1.043 211 T CA -0.791 61.471 62.100 0.270 0.000 1.003 211 T CB 2.097 71.056 68.868 0.152 0.000 1.084 211 T HN 0.727 nan 8.240 nan 0.000 0.483 212 H N 0.012 119.217 119.070 0.225 0.000 3.129 212 H HA 0.409 4.965 4.556 -0.000 0.000 0.342 212 H C -2.001 173.426 175.328 0.165 0.000 1.092 212 H CA -0.472 55.693 56.048 0.196 0.000 1.310 212 H CB 1.776 31.678 29.762 0.232 0.000 1.932 212 H HN 0.699 nan 8.280 nan 0.000 0.507 213 D N 2.531 122.711 120.400 -0.367 0.000 2.393 213 D HA 0.070 4.710 4.640 -0.000 0.000 0.232 213 D C 0.781 176.845 176.300 -0.393 0.000 1.192 213 D CA 0.435 54.300 54.000 -0.225 0.000 0.882 213 D CB 0.731 41.494 40.800 -0.062 0.000 1.038 213 D HN 0.556 nan 8.370 nan 0.000 0.499 214 S N 1.570 117.176 115.700 -0.157 0.000 2.555 214 S HA -0.061 4.409 4.470 -0.000 0.000 0.230 214 S C 1.451 176.022 174.600 -0.048 0.000 0.978 214 S CA 0.176 58.350 58.200 -0.042 0.000 0.934 214 S CB 0.161 63.402 63.200 0.067 0.000 0.766 214 S HN 0.216 nan 8.310 nan 0.000 0.533 215 S N 1.209 116.855 115.700 -0.089 0.000 2.575 215 S HA 0.186 4.656 4.470 -0.000 0.000 0.215 215 S C -0.038 174.486 174.600 -0.127 0.000 0.966 215 S CA -0.113 58.020 58.200 -0.112 0.000 0.911 215 S CB -0.035 63.058 63.200 -0.179 0.000 0.780 215 S HN 0.620 nan 8.310 nan 0.000 0.514 216 D N 1.715 122.052 120.400 -0.106 0.000 2.461 216 D HA 0.287 4.927 4.640 -0.000 0.000 0.240 216 D C -1.734 174.553 176.300 -0.022 0.000 1.094 216 D CA -2.273 51.686 54.000 -0.069 0.000 0.868 216 D CB 1.521 42.294 40.800 -0.046 0.000 1.062 216 D HN -0.040 nan 8.370 nan 0.000 0.530 217 P HA -0.076 nan 4.420 nan 0.000 0.221 217 P C 0.851 178.176 177.300 0.041 0.000 1.145 217 P CA 0.519 63.635 63.100 0.026 0.000 0.795 217 P CB 0.266 31.975 31.700 0.015 0.000 0.775 218 A N -0.454 122.386 122.820 0.032 0.000 2.238 218 A HA 0.390 4.710 4.320 -0.000 0.000 0.208 218 A C 1.324 178.945 177.584 0.062 0.000 1.177 218 A CA 0.217 52.279 52.037 0.041 0.000 0.804 218 A CB -0.812 18.205 19.000 0.029 0.000 0.823 218 A HN 0.260 nan 8.150 nan 0.000 0.482 219 A N 1.198 124.067 122.820 0.081 0.000 2.450 219 A HA 0.473 4.793 4.320 -0.000 0.000 0.255 219 A C 0.898 178.609 177.584 0.212 0.000 1.096 219 A CA 0.351 52.464 52.037 0.128 0.000 0.778 219 A CB -0.447 18.590 19.000 0.061 0.000 1.031 219 A HN 0.726 nan 8.150 nan 0.000 0.494 220 T N 0.882 115.531 114.554 0.157 0.000 2.930 220 T HA 0.489 4.839 4.350 -0.000 0.000 0.306 220 T C 0.473 175.239 174.700 0.109 0.000 1.045 220 T CA -0.100 62.066 62.100 0.109 0.000 1.134 220 T CB 0.688 69.600 68.868 0.073 0.000 0.961 220 T HN 1.459 nan 8.240 nan 0.000 0.545 221 A N 4.943 127.748 122.820 -0.024 0.000 2.511 221 A HA 0.459 4.779 4.320 -0.000 0.000 0.242 221 A C -1.707 175.831 177.584 -0.076 0.000 1.069 221 A CA -1.368 50.552 52.037 -0.195 0.000 0.763 221 A CB -0.603 18.270 19.000 -0.213 0.000 1.001 221 A HN 0.807 nan 8.150 nan 0.000 0.498 222 P HA 0.141 nan 4.420 nan 0.000 0.276 222 P C 0.485 177.886 177.300 0.169 0.000 1.264 222 P CA 0.163 63.353 63.100 0.151 0.000 0.769 222 P CB 0.737 32.617 31.700 0.300 0.000 0.840 223 T N -1.065 113.595 114.554 0.178 0.000 3.010 223 T HA 0.125 4.475 4.350 -0.000 0.000 0.257 223 T C 0.594 175.473 174.700 0.297 0.000 1.020 223 T CA 0.094 62.302 62.100 0.181 0.000 0.938 223 T CB -0.022 68.895 68.868 0.082 0.000 1.049 223 T HN 0.434 nan 8.240 nan 0.000 0.522 224 T N 1.342 116.070 114.554 0.290 0.000 2.861 224 T HA 0.709 5.059 4.350 -0.000 0.000 0.287 224 T C -0.378 174.334 174.700 0.021 0.000 1.003 224 T CA -0.439 61.766 62.100 0.175 0.000 0.977 224 T CB 1.290 70.200 68.868 0.070 0.000 0.996 224 T HN 0.471 nan 8.240 nan 0.000 0.448 225 A N 3.287 125.915 122.820 -0.320 0.000 2.425 225 A HA 0.486 4.806 4.320 -0.000 0.000 0.249 225 A C 1.441 178.830 177.584 -0.326 0.000 1.084 225 A CA -0.127 51.472 52.037 -0.731 0.000 0.781 225 A CB 0.040 18.578 19.000 -0.769 0.000 1.019 225 A HN 0.947 nan 8.150 nan 0.000 0.490 226 S N -0.075 115.457 115.700 -0.281 0.000 2.395 226 S HA 0.080 4.550 4.470 -0.000 0.000 0.225 226 S C 0.969 175.488 174.600 -0.135 0.000 1.027 226 S CA 1.452 59.566 58.200 -0.143 0.000 0.965 226 S CB -0.067 63.084 63.200 -0.082 0.000 0.812 226 S HN 0.994 nan 8.310 nan 0.000 0.482 227 T N -0.131 114.311 114.554 -0.186 0.000 2.739 227 T HA 0.449 4.799 4.350 -0.000 0.000 0.303 227 T C -1.891 172.689 174.700 -0.200 0.000 1.389 227 T CA -0.494 61.516 62.100 -0.151 0.000 1.001 227 T CB 1.864 70.686 68.868 -0.076 0.000 1.436 227 T HN -0.056 nan 8.240 nan 0.000 0.500 228 T N 2.657 117.123 114.554 -0.146 0.000 2.840 228 T HA 0.547 4.897 4.350 -0.000 0.000 0.287 228 T C -0.577 174.059 174.700 -0.107 0.000 0.991 228 T CA -0.502 61.529 62.100 -0.115 0.000 0.964 228 T CB 0.575 69.392 68.868 -0.083 0.000 0.954 228 T HN 0.443 nan 8.240 nan 0.000 0.438 229 L N 3.932 125.103 121.223 -0.086 0.000 2.319 229 L HA 0.457 4.797 4.340 -0.000 0.000 0.280 229 L C 0.449 177.251 176.870 -0.113 0.000 1.099 229 L CA -0.328 54.403 54.840 -0.181 0.000 0.828 229 L CB 0.447 42.392 42.059 -0.190 0.000 1.150 229 L HN 0.380 nan 8.230 nan 0.000 0.442 230 K N 4.185 124.423 120.400 -0.269 0.000 2.323 230 K HA 0.566 4.886 4.320 -0.000 0.000 0.259 230 K C -1.253 175.169 176.600 -0.298 0.000 0.947 230 K CA -0.478 55.733 56.287 -0.127 0.000 0.819 230 K CB 1.899 34.363 32.500 -0.060 0.000 1.109 230 K HN 0.193 nan 8.250 nan 0.000 0.429 231 F N 1.872 121.884 119.950 0.103 0.000 2.480 231 F HA 0.236 4.763 4.527 -0.000 0.000 0.329 231 F C 0.906 176.744 175.800 0.063 0.000 1.091 231 F CA -0.971 57.076 58.000 0.079 0.000 0.972 231 F CB 1.127 40.185 39.000 0.098 0.000 1.150 231 F HN 0.569 nan 8.300 nan 0.000 0.467 232 N N 0.546 119.371 118.700 0.208 0.000 0.000 232 N HA 0.056 4.796 4.740 -0.000 0.000 0.000 232 N C 0.532 176.121 175.510 0.132 0.000 0.000 232 N CA -0.285 52.844 53.050 0.132 0.000 0.000 232 N CB 0.202 38.739 38.487 0.084 0.000 0.000 232 N HN 0.693 nan 8.380 nan 0.000 0.000 233 E N -1.147 119.105 120.200 0.086 0.000 2.209 233 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 233 E C 0.357 176.994 176.600 0.062 0.000 0.993 233 E CA 0.966 57.406 56.400 0.068 0.000 0.819 233 E CB -0.142 29.586 29.700 0.047 0.000 0.745 233 E HN 0.480 nan 8.360 nan 0.000 0.477 234 N N -0.630 118.109 118.700 0.066 0.000 2.398 234 N HA 0.001 4.741 4.740 -0.000 0.000 0.188 234 N C 0.890 176.437 175.510 0.063 0.000 1.122 234 N CA 0.910 53.993 53.050 0.054 0.000 0.866 234 N CB 1.159 39.675 38.487 0.048 0.000 0.970 234 N HN 0.264 nan 8.380 nan 0.000 0.462 235 G N 0.779 109.639 108.800 0.101 0.000 2.141 235 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.242 235 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.242 235 G C 0.029 175.055 174.900 0.210 0.000 0.982 235 G CA -0.247 44.908 45.100 0.092 0.000 0.662 235 G HN 0.300 nan 8.290 nan 0.000 0.527 236 I N 0.579 121.286 120.570 0.228 0.000 2.472 236 I HA 0.387 4.557 4.170 -0.000 0.000 0.290 236 I C 0.826 177.099 176.117 0.259 0.000 1.016 236 I CA -1.091 60.344 61.300 0.225 0.000 1.348 236 I CB 1.249 39.317 38.000 0.114 0.000 1.417 236 I HN 0.092 nan 8.210 nan 0.000 0.521 237 L N 6.333 127.658 121.223 0.170 0.000 2.462 237 L HA 0.029 4.369 4.340 -0.000 0.000 0.272 237 L C 0.904 177.710 176.870 -0.106 0.000 1.166 237 L CA 0.946 55.689 54.840 -0.161 0.000 0.880 237 L CB 0.200 42.175 42.059 -0.141 0.000 1.142 237 L HN 0.724 nan 8.230 nan 0.000 0.473 238 E N 1.975 122.078 120.200 -0.161 0.000 2.330 238 E HA 0.161 4.510 4.350 -0.000 0.000 0.200 238 E C -0.292 176.258 176.600 -0.084 0.000 0.922 238 E CA 0.550 56.904 56.400 -0.077 0.000 0.935 238 E CB 0.515 30.190 29.700 -0.042 0.000 0.917 238 E HN 0.764 nan 8.360 nan 0.000 0.491 239 S N -2.449 113.172 115.700 -0.132 0.000 2.588 239 S HA 0.549 5.019 4.470 -0.000 0.000 0.269 239 S C 0.496 175.022 174.600 -0.125 0.000 1.157 239 S CA -0.324 57.817 58.200 -0.099 0.000 0.824 239 S CB 1.220 64.379 63.200 -0.068 0.000 1.126 239 S HN 0.442 nan 8.310 nan 0.000 0.464 240 G N 0.048 108.803 108.800 -0.075 0.000 2.157 240 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.248 240 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.248 240 G C 0.930 175.822 174.900 -0.013 0.000 0.979 240 G CA 0.316 45.377 45.100 -0.065 0.000 0.650 240 G HN 1.797 nan 8.290 nan 0.000 0.529 241 G N -0.914 107.898 108.800 0.020 0.000 2.744 241 G HA2 0.380 4.340 3.960 -0.000 0.000 0.211 241 G HA3 0.380 4.340 3.960 -0.000 0.000 0.211 241 G C 0.506 175.542 174.900 0.228 0.000 1.143 241 G CA 1.505 46.696 45.100 0.152 0.000 0.788 241 G HN 0.810 nan 8.290 nan 0.000 0.534 242 T N -0.493 114.135 114.554 0.124 0.000 2.928 242 T HA 0.521 4.871 4.350 -0.000 0.000 0.296 242 T C -1.518 173.209 174.700 0.046 0.000 1.000 242 T CA -0.395 61.747 62.100 0.071 0.000 0.989 242 T CB 2.613 71.496 68.868 0.024 0.000 1.005 242 T HN 0.045 nan 8.240 nan 0.000 0.442 243 V N 3.861 123.788 119.914 0.023 0.000 2.891 243 V HA 0.471 4.591 4.120 -0.000 0.000 0.304 243 V C -1.273 174.761 176.094 -0.099 0.000 1.171 243 V CA -0.937 61.352 62.300 -0.019 0.000 0.943 243 V CB 2.110 33.944 31.823 0.017 0.000 1.037 243 V HN 0.942 nan 8.190 nan 0.000 0.427 244 N N 6.588 125.214 118.700 -0.125 0.000 2.497 244 N HA 0.487 5.227 4.740 -0.000 0.000 0.271 244 N C -0.837 174.495 175.510 -0.296 0.000 1.142 244 N CA -0.340 52.584 53.050 -0.209 0.000 0.965 244 N CB 0.754 39.154 38.487 -0.145 0.000 1.077 244 N HN 0.471 nan 8.380 nan 0.000 0.462 245 I N 1.669 121.898 120.570 -0.567 0.000 2.474 245 I HA 0.264 4.434 4.170 -0.000 0.000 0.294 245 I C 0.115 175.898 176.117 -0.557 0.000 1.005 245 I CA -0.424 60.509 61.300 -0.612 0.000 1.113 245 I CB 1.682 39.129 38.000 -0.921 0.000 1.289 245 I HN 0.400 nan 8.210 nan 0.000 0.436 246 T N 4.320 118.717 114.554 -0.262 0.000 2.779 246 T HA 0.384 4.734 4.350 -0.000 0.000 0.280 246 T C 0.607 175.281 174.700 -0.043 0.000 0.987 246 T CA -0.471 61.551 62.100 -0.130 0.000 0.966 246 T CB 1.288 70.112 68.868 -0.073 0.000 0.933 246 T HN 0.781 nan 8.240 nan 0.000 0.442 247 T N 1.488 116.051 114.554 0.014 0.000 2.667 247 T HA 0.487 4.837 4.350 -0.000 0.000 0.305 247 T C 1.208 175.954 174.700 0.076 0.000 1.022 247 T CA -0.433 61.701 62.100 0.056 0.000 0.995 247 T CB 0.295 69.118 68.868 -0.074 0.000 1.026 247 T HN 0.576 nan 8.240 nan 0.000 0.527 248 G N -0.102 108.783 108.800 0.142 0.000 2.489 248 G HA2 0.507 4.467 3.960 -0.000 0.000 0.271 248 G HA3 0.507 4.467 3.960 -0.000 0.000 0.271 248 G C -0.027 174.998 174.900 0.208 0.000 1.427 248 G CA -0.154 45.023 45.100 0.128 0.000 1.057 248 G HN 1.200 nan 8.290 nan 0.000 0.532 249 T N -2.498 112.138 114.554 0.137 0.000 2.887 249 T HA 0.697 5.047 4.350 -0.000 0.000 0.288 249 T C -0.522 174.202 174.700 0.039 0.000 1.021 249 T CA -0.656 61.525 62.100 0.135 0.000 1.000 249 T CB 1.796 70.712 68.868 0.080 0.000 1.034 249 T HN 0.334 nan 8.240 nan 0.000 0.467 250 I N 2.263 122.842 120.570 0.016 0.000 2.466 250 I HA 0.412 4.582 4.170 -0.000 0.000 0.289 250 I C 0.682 176.795 176.117 -0.008 0.000 1.026 250 I CA -0.854 60.410 61.300 -0.059 0.000 1.078 250 I CB 1.771 39.663 38.000 -0.180 0.000 1.249 250 I HN 0.968 nan 8.210 nan 0.000 0.429 251 N N 4.775 123.469 118.700 -0.009 0.000 2.716 251 N HA -0.219 4.521 4.740 -0.000 0.000 0.250 251 N C 0.893 176.413 175.510 0.017 0.000 1.033 251 N CA 0.773 53.825 53.050 0.004 0.000 0.727 251 N CB -0.274 38.215 38.487 0.003 0.000 0.950 251 N HN 1.214 nan 8.380 nan 0.000 0.541 252 G N -1.834 106.979 108.800 0.021 0.000 2.153 252 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.252 252 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.252 252 G C 0.138 175.060 174.900 0.036 0.000 0.994 252 G CA 0.859 45.974 45.100 0.026 0.000 0.698 252 G HN 1.014 nan 8.290 nan 0.000 0.521 253 A N 0.011 122.860 122.820 0.049 0.000 2.295 253 A HA 0.877 5.197 4.320 -0.000 0.000 0.318 253 A C 0.817 178.447 177.584 0.077 0.000 1.134 253 A CA 0.647 52.722 52.037 0.064 0.000 0.827 253 A CB 0.622 19.671 19.000 0.081 0.000 1.136 253 A HN 1.607 nan 8.150 nan 0.000 0.493 254 T N 0.198 114.791 114.554 0.065 0.000 2.926 254 T HA 0.522 4.872 4.350 -0.000 0.000 0.307 254 T C 0.561 175.301 174.700 0.066 0.000 1.059 254 T CA 0.004 62.138 62.100 0.056 0.000 1.122 254 T CB 0.650 69.541 68.868 0.039 0.000 0.972 254 T HN 1.435 nan 8.240 nan 0.000 0.545 255 A N 1.733 124.584 122.820 0.051 0.000 2.386 255 A HA 0.623 4.943 4.320 -0.000 0.000 0.246 255 A C 0.771 178.338 177.584 -0.028 0.000 1.089 255 A CA -0.358 51.691 52.037 0.019 0.000 0.790 255 A CB -0.498 18.516 19.000 0.024 0.000 1.042 255 A HN 1.451 nan 8.150 nan 0.000 0.497 256 A N 0.496 123.253 122.820 -0.105 0.000 2.310 256 A HA 0.634 4.954 4.320 -0.000 0.000 0.299 256 A C 0.170 177.795 177.584 0.069 0.000 1.147 256 A CA -0.184 51.841 52.037 -0.020 0.000 0.818 256 A CB 0.298 19.259 19.000 -0.066 0.000 1.096 256 A HN 0.804 nan 8.150 nan 0.000 0.495 257 T N 2.698 117.303 114.554 0.085 0.000 2.809 257 T HA 0.615 4.965 4.350 -0.000 0.000 0.284 257 T C -0.952 173.804 174.700 0.094 0.000 0.992 257 T CA -0.016 62.096 62.100 0.020 0.000 0.957 257 T CB 0.117 68.969 68.868 -0.026 0.000 0.942 257 T HN 0.668 nan 8.240 nan 0.000 0.439 258 F N 0.012 119.924 119.950 -0.063 0.000 2.613 258 F HA 0.794 5.321 4.527 0.000 0.000 0.310 258 F C -0.181 175.582 175.800 -0.062 0.000 1.085 258 F CA -1.312 56.649 58.000 -0.066 0.000 0.945 258 F CB 1.283 40.236 39.000 -0.079 0.000 1.298 258 F HN 0.356 nan 8.300 nan 0.000 0.455 259 S N 2.581 118.320 115.700 0.065 0.000 2.474 259 S HA 0.492 4.962 4.470 -0.000 0.000 0.276 259 S C -0.846 173.809 174.600 0.092 0.000 1.227 259 S CA -0.475 57.723 58.200 -0.004 0.000 1.050 259 S CB 0.207 63.407 63.200 0.001 0.000 0.939 259 S HN 0.696 nan 8.310 nan 0.000 0.490 260 L N 5.671 126.889 121.223 -0.010 0.000 2.264 260 L HA 0.617 4.957 4.340 -0.000 0.000 0.289 260 L C -0.104 176.643 176.870 -0.205 0.000 1.044 260 L CA 0.322 55.131 54.840 -0.051 0.000 0.807 260 L CB 1.412 43.428 42.059 -0.071 0.000 1.192 260 L HN 0.620 nan 8.230 nan 0.000 0.425 261 S N 3.993 119.520 115.700 -0.287 0.000 2.482 261 S HA 0.546 5.015 4.470 -0.000 0.000 0.303 261 S C -0.020 174.344 174.600 -0.394 0.000 1.091 261 S CA -0.464 57.607 58.200 -0.216 0.000 1.057 261 S CB 0.531 63.677 63.200 -0.090 0.000 1.031 261 S HN 0.475 nan 8.310 nan 0.000 0.485 262 F N 3.265 123.238 119.950 0.040 0.000 2.647 262 F HA 0.375 4.902 4.527 -0.000 0.000 0.300 262 F C 0.908 176.731 175.800 0.038 0.000 1.106 262 F CA -0.491 57.544 58.000 0.058 0.000 1.313 262 F CB 0.291 39.340 39.000 0.081 0.000 1.007 262 F HN 0.398 nan 8.300 nan 0.000 0.536 263 L N 2.368 123.661 121.223 0.117 0.000 2.653 263 L HA -0.215 4.125 4.340 -0.000 0.000 0.288 263 L C 0.486 177.404 176.870 0.081 0.000 1.243 263 L CA 0.933 55.820 54.840 0.078 0.000 0.906 263 L CB 0.204 42.284 42.059 0.034 0.000 1.154 263 L HN 0.557 nan 8.230 nan 0.000 0.498 264 N N 1.043 119.791 118.700 0.081 0.000 2.984 264 N HA -0.169 4.571 4.740 -0.000 0.000 0.227 264 N C 0.061 175.625 175.510 0.091 0.000 0.903 264 N CA 1.143 54.236 53.050 0.072 0.000 0.995 264 N CB -0.950 37.563 38.487 0.044 0.000 1.065 264 N HN 0.536 nan 8.380 nan 0.000 0.585 265 S N 0.470 116.256 115.700 0.144 0.000 2.568 265 S HA 0.428 4.898 4.470 -0.000 0.000 0.282 265 S C 0.594 175.346 174.600 0.252 0.000 1.338 265 S CA 0.334 58.638 58.200 0.173 0.000 1.045 265 S CB 1.088 64.448 63.200 0.266 0.000 0.873 265 S HN 0.209 nan 8.310 nan 0.000 0.516 266 M N 1.700 121.352 119.600 0.086 0.000 2.575 266 M HA 0.308 4.788 4.480 -0.000 0.000 0.284 266 M C -1.019 174.964 176.300 -0.528 0.000 1.253 266 M CA -0.407 54.873 55.300 -0.035 0.000 0.861 266 M CB 2.461 35.039 32.600 -0.037 0.000 1.733 266 M HN 0.569 nan 8.290 nan 0.000 0.462 267 Q N 2.505 121.857 119.800 -0.746 0.000 2.372 267 Q HA 0.340 4.680 4.340 -0.000 0.000 0.259 267 Q C -1.329 174.499 176.000 -0.288 0.000 0.993 267 Q CA -0.394 54.991 55.803 -0.698 0.000 0.854 267 Q CB 1.292 29.530 28.738 -0.833 0.000 1.231 267 Q HN 0.592 nan 8.270 nan 0.000 0.462 268 Q N 2.341 122.011 119.800 -0.216 0.000 2.340 268 Q HA 0.106 4.446 4.340 -0.000 0.000 0.249 268 Q C 0.626 176.585 176.000 -0.068 0.000 0.957 268 Q CA -0.469 55.266 55.803 -0.114 0.000 0.882 268 Q CB 0.835 29.514 28.738 -0.100 0.000 1.235 268 Q HN 0.647 nan 8.270 nan 0.000 0.439 269 N N 0.275 118.952 118.700 -0.038 0.000 2.104 269 N HA -0.110 4.630 4.740 -0.000 0.000 0.190 269 N C 0.397 175.901 175.510 -0.010 0.000 1.024 269 N CA 1.266 54.307 53.050 -0.015 0.000 0.853 269 N CB 0.142 38.624 38.487 -0.008 0.000 1.008 269 N HN 0.500 nan 8.380 nan 0.000 0.424 270 T N -1.162 113.382 114.554 -0.017 0.000 3.105 270 T HA 0.606 4.956 4.350 -0.000 0.000 0.321 270 T C -0.527 174.161 174.700 -0.021 0.000 1.135 270 T CA -0.131 61.963 62.100 -0.011 0.000 1.053 270 T CB 1.346 70.212 68.868 -0.005 0.000 1.133 270 T HN 0.370 nan 8.240 nan 0.000 0.463 271 G N 1.766 110.555 108.800 -0.018 0.000 2.323 271 G HA2 0.645 4.605 3.960 -0.000 0.000 0.291 271 G HA3 0.645 4.605 3.960 -0.000 0.000 0.291 271 G C -1.483 173.405 174.900 -0.020 0.000 1.278 271 G CA -0.069 45.016 45.100 -0.026 0.000 0.860 271 G HN 1.123 nan 8.290 nan 0.000 0.504 272 A N -0.199 122.604 122.820 -0.029 0.000 2.337 272 A HA 0.727 5.047 4.320 -0.000 0.000 0.329 272 A C -0.056 177.494 177.584 -0.057 0.000 1.146 272 A CA -0.717 51.306 52.037 -0.022 0.000 0.800 272 A CB 0.725 19.719 19.000 -0.010 0.000 1.220 272 A HN 0.604 nan 8.150 nan 0.000 0.472 273 N N 2.058 120.722 118.700 -0.059 0.000 2.359 273 N HA 0.080 4.820 4.740 -0.000 0.000 0.261 273 N C -0.617 174.827 175.510 -0.111 0.000 1.267 273 N CA 0.852 53.824 53.050 -0.130 0.000 0.864 273 N CB 0.176 38.607 38.487 -0.095 0.000 1.063 273 N HN 0.708 nan 8.380 nan 0.000 0.474 274 N N 1.887 120.493 118.700 -0.157 0.000 2.493 274 N HA 0.322 5.062 4.740 -0.000 0.000 0.279 274 N C -1.547 173.890 175.510 -0.122 0.000 1.082 274 N CA -0.469 52.517 53.050 -0.107 0.000 0.963 274 N CB 1.059 39.501 38.487 -0.075 0.000 1.627 274 N HN 0.318 nan 8.380 nan 0.000 0.499 275 I N 3.437 123.957 120.570 -0.083 0.000 2.352 275 I HA 0.156 4.326 4.170 -0.000 0.000 0.290 275 I C 0.999 177.096 176.117 -0.033 0.000 1.036 275 I CA -0.391 60.874 61.300 -0.058 0.000 1.336 275 I CB 1.296 39.285 38.000 -0.017 0.000 1.407 275 I HN 0.423 nan 8.210 nan 0.000 0.497 276 V N 5.902 125.798 119.914 -0.030 0.000 2.825 276 V HA 0.259 4.379 4.120 -0.000 0.000 0.246 276 V C 0.746 176.836 176.094 -0.008 0.000 1.068 276 V CA 0.897 63.185 62.300 -0.020 0.000 1.088 276 V CB 0.062 31.871 31.823 -0.023 0.000 0.733 276 V HN 0.846 nan 8.190 nan 0.000 0.468 277 A N -0.318 122.501 122.820 -0.002 0.000 2.566 277 A HA 0.691 5.011 4.320 -0.000 0.000 0.297 277 A C -0.370 177.215 177.584 0.001 0.000 1.059 277 A CA 0.149 52.186 52.037 -0.000 0.000 0.691 277 A CB 1.570 20.569 19.000 -0.001 0.000 1.282 277 A HN 0.232 nan 8.150 nan 0.000 0.401 278 T N -0.337 114.214 114.554 -0.005 0.000 2.906 278 T HA 0.844 5.194 4.350 -0.000 0.000 0.295 278 T C -0.928 173.755 174.700 -0.027 0.000 1.075 278 T CA -0.806 61.283 62.100 -0.018 0.000 1.005 278 T CB 2.052 70.910 68.868 -0.015 0.000 1.136 278 T HN 0.756 nan 8.240 nan 0.000 0.498 279 N N 0.975 119.646 118.700 -0.048 0.000 2.598 279 N HA 0.385 5.124 4.740 -0.000 0.000 0.263 279 N C -1.991 173.470 175.510 -0.082 0.000 1.254 279 N CA -0.420 52.600 53.050 -0.050 0.000 0.863 279 N CB 2.606 41.069 38.487 -0.040 0.000 1.586 279 N HN 0.989 nan 8.380 nan 0.000 0.491 280 Q N 0.792 120.543 119.800 -0.083 0.000 2.472 280 Q HA 0.302 4.642 4.340 -0.000 0.000 0.281 280 Q C -1.130 174.794 176.000 -0.126 0.000 0.997 280 Q CA -0.643 55.085 55.803 -0.125 0.000 0.828 280 Q CB 0.934 29.573 28.738 -0.165 0.000 1.443 280 Q HN 0.599 nan 8.270 nan 0.000 0.390 281 N N -0.145 118.458 118.700 -0.163 0.000 2.327 281 N HA 0.198 4.938 4.740 -0.000 0.000 0.231 281 N C -0.260 175.042 175.510 -0.347 0.000 1.130 281 N CA 0.338 53.246 53.050 -0.235 0.000 0.845 281 N CB 0.556 38.932 38.487 -0.185 0.000 1.073 281 N HN 0.641 nan 8.380 nan 0.000 0.496 282 G N 0.323 108.988 108.800 -0.224 0.000 2.420 282 G HA2 0.592 4.552 3.960 -0.000 0.000 0.331 282 G HA3 0.592 4.552 3.960 -0.000 0.000 0.331 282 G C -1.448 173.405 174.900 -0.079 0.000 1.168 282 G CA -0.500 44.531 45.100 -0.116 0.000 0.936 282 G HN 0.311 nan 8.290 nan 0.000 0.479 283 Y N -1.403 118.716 120.300 -0.303 0.000 2.687 283 Y HA 0.540 5.090 4.550 -0.000 0.000 0.338 283 Y C -1.318 174.219 175.900 -0.605 0.000 1.189 283 Y CA -3.003 54.652 58.100 -0.742 0.000 1.097 283 Y CB 0.691 38.939 38.460 -0.353 0.000 1.342 283 Y HN 0.709 nan 8.280 nan 0.000 0.461 284 K N 1.794 121.917 120.400 -0.462 0.000 2.449 284 K HA 0.659 4.979 4.320 -0.000 0.000 0.257 284 K C -3.074 173.353 176.600 -0.288 0.000 0.989 284 K CA -1.554 54.569 56.287 -0.275 0.000 0.916 284 K CB 1.721 34.106 32.500 -0.191 0.000 1.136 284 K HN 0.289 nan 8.250 nan 0.000 0.439 285 P HA 0.036 nan 4.420 nan 0.000 0.271 285 P C -0.101 177.100 177.300 -0.165 0.000 1.212 285 P CA 0.527 63.444 63.100 -0.305 0.000 0.788 285 P CB 0.352 31.903 31.700 -0.249 0.000 0.865 286 G N 0.227 108.959 108.800 -0.114 0.000 2.634 286 G HA2 0.297 4.257 3.960 -0.000 0.000 0.568 286 G HA3 0.297 4.257 3.960 -0.000 0.000 0.568 286 G C -2.119 172.781 174.900 0.000 0.000 1.495 286 G CA -0.816 44.221 45.100 -0.105 0.000 0.903 286 G HN 0.489 nan 8.290 nan 0.000 0.646 287 D N 0.905 121.359 120.400 0.089 0.000 2.837 287 D HA 0.360 4.999 4.640 -0.000 0.000 0.220 287 D C -0.407 175.965 176.300 0.120 0.000 1.236 287 D CA -0.732 53.337 54.000 0.115 0.000 0.838 287 D CB 2.480 43.302 40.800 0.037 0.000 1.647 287 D HN 0.559 nan 8.370 nan 0.000 0.486 288 L N 1.859 123.114 121.223 0.053 0.000 2.534 288 L HA 0.010 4.350 4.340 -0.000 0.000 0.271 288 L C 0.477 177.252 176.870 -0.159 0.000 1.178 288 L CA 0.593 55.271 54.840 -0.269 0.000 0.907 288 L CB 0.717 42.656 42.059 -0.200 0.000 1.164 288 L HN 0.360 nan 8.230 nan 0.000 0.482 289 V N 2.831 122.621 119.914 -0.206 0.000 2.908 289 V HA 0.271 4.391 4.120 -0.000 0.000 0.240 289 V C 0.658 176.685 176.094 -0.113 0.000 1.117 289 V CA 1.087 63.319 62.300 -0.114 0.000 1.133 289 V CB 0.348 32.117 31.823 -0.091 0.000 0.857 289 V HN 0.940 nan 8.190 nan 0.000 0.478 290 S N -0.375 115.237 115.700 -0.147 0.000 2.625 290 S HA 0.746 5.216 4.470 -0.000 0.000 0.271 290 S C -1.320 173.218 174.600 -0.104 0.000 1.161 290 S CA -0.702 57.389 58.200 -0.181 0.000 0.820 290 S CB 2.110 65.195 63.200 -0.192 0.000 1.137 290 S HN 0.380 nan 8.310 nan 0.000 0.470 291 Y N -1.099 119.134 120.300 -0.112 0.000 2.615 291 Y HA 0.849 5.399 4.550 0.000 0.000 0.341 291 Y C -0.876 174.992 175.900 -0.054 0.000 1.089 291 Y CA -1.081 56.963 58.100 -0.094 0.000 1.049 291 Y CB 1.234 39.640 38.460 -0.090 0.000 1.296 291 Y HN 1.008 nan 8.280 nan 0.000 0.470 292 Q N 1.379 121.241 119.800 0.103 0.000 2.418 292 Q HA 0.690 5.029 4.340 -0.000 0.000 0.282 292 Q C -2.053 173.993 176.000 0.076 0.000 1.044 292 Q CA -0.998 54.827 55.803 0.037 0.000 0.813 292 Q CB 3.037 31.774 28.738 -0.002 0.000 1.428 292 Q HN 0.837 nan 8.270 nan 0.000 0.402 293 I N 2.489 123.094 120.570 0.059 0.000 2.355 293 I HA 0.331 4.501 4.170 -0.000 0.000 0.288 293 I C -0.446 175.702 176.117 0.052 0.000 0.999 293 I CA -0.918 60.416 61.300 0.056 0.000 1.163 293 I CB 1.315 39.350 38.000 0.057 0.000 1.316 293 I HN 0.543 nan 8.210 nan 0.000 0.454 294 N N 4.082 122.813 118.700 0.051 0.000 2.381 294 N HA 0.046 4.786 4.740 -0.000 0.000 0.254 294 N C 0.896 176.441 175.510 0.059 0.000 1.264 294 N CA -0.236 52.843 53.050 0.049 0.000 0.942 294 N CB 0.416 38.930 38.487 0.046 0.000 1.190 294 N HN 0.596 nan 8.380 nan 0.000 0.495 295 N N -0.291 118.441 118.700 0.054 0.000 2.550 295 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 295 N C 0.037 175.584 175.510 0.062 0.000 1.110 295 N CA 0.610 53.695 53.050 0.060 0.000 0.912 295 N CB -0.123 38.394 38.487 0.050 0.000 0.968 295 N HN 0.504 nan 8.380 nan 0.000 0.448 296 D N -1.964 118.471 120.400 0.059 0.000 2.342 296 D HA 0.207 4.847 4.640 -0.000 0.000 0.221 296 D C 1.208 177.546 176.300 0.064 0.000 1.101 296 D CA 0.059 54.095 54.000 0.061 0.000 0.837 296 D CB -0.470 40.365 40.800 0.058 0.000 0.938 296 D HN 0.263 nan 8.370 nan 0.000 0.508 297 G N 0.689 109.531 108.800 0.070 0.000 2.184 297 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.264 297 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.264 297 G C 0.541 175.474 174.900 0.054 0.000 0.975 297 G CA 0.612 45.755 45.100 0.072 0.000 0.642 297 G HN 0.781 nan 8.290 nan 0.000 0.536 298 T N -1.098 113.491 114.554 0.058 0.000 2.928 298 T HA 0.496 4.846 4.350 -0.000 0.000 0.305 298 T C 0.200 174.929 174.700 0.048 0.000 1.035 298 T CA 0.005 62.138 62.100 0.055 0.000 1.145 298 T CB 2.323 71.225 68.868 0.057 0.000 0.963 298 T HN 0.859 nan 8.240 nan 0.000 0.545 299 V N 4.068 124.007 119.914 0.042 0.000 2.370 299 V HA 0.531 4.651 4.120 -0.000 0.000 0.283 299 V C -0.044 176.085 176.094 0.058 0.000 1.023 299 V CA -0.768 61.557 62.300 0.042 0.000 0.857 299 V CB 1.432 33.261 31.823 0.010 0.000 0.985 299 V HN 0.894 nan 8.190 nan 0.000 0.443 300 V N 3.547 123.506 119.914 0.075 0.000 2.588 300 V HA 0.751 4.871 4.120 -0.000 0.000 0.304 300 V C 0.584 176.735 176.094 0.096 0.000 1.042 300 V CA -0.440 61.912 62.300 0.087 0.000 0.877 300 V CB 2.106 33.973 31.823 0.074 0.000 0.996 300 V HN 0.934 nan 8.190 nan 0.000 0.425 301 G N 2.708 111.577 108.800 0.116 0.000 2.377 301 G HA2 0.498 4.458 3.960 -0.000 0.000 0.299 301 G HA3 0.498 4.458 3.960 -0.000 0.000 0.299 301 G C -0.613 174.258 174.900 -0.048 0.000 1.150 301 G CA -0.524 44.572 45.100 -0.006 0.000 0.847 301 G HN 0.603 nan 8.290 nan 0.000 0.501 302 N N 0.467 119.001 118.700 -0.276 0.000 2.372 302 N HA 0.417 5.157 4.740 -0.000 0.000 0.285 302 N C -1.391 173.911 175.510 -0.346 0.000 1.008 302 N CA -0.276 52.688 53.050 -0.143 0.000 0.880 302 N CB 2.020 40.459 38.487 -0.081 0.000 1.239 302 N HN 0.418 nan 8.380 nan 0.000 0.484 303 Y N -0.461 119.830 120.300 -0.016 0.000 2.562 303 Y HA 0.201 4.751 4.550 0.000 0.000 0.343 303 Y C 1.690 177.558 175.900 -0.054 0.000 1.025 303 Y CA -1.034 57.040 58.100 -0.044 0.000 1.082 303 Y CB 1.297 39.709 38.460 -0.081 0.000 1.264 303 Y HN 0.509 nan 8.280 nan 0.000 0.478 304 S N -0.522 115.231 115.700 0.088 0.000 2.555 304 S HA -0.135 4.335 4.470 -0.000 0.000 0.230 304 S C 0.791 175.388 174.600 -0.004 0.000 0.978 304 S CA 0.933 59.145 58.200 0.021 0.000 0.934 304 S CB -0.632 62.572 63.200 0.007 0.000 0.766 304 S HN 0.773 nan 8.310 nan 0.000 0.533 305 N N 1.291 119.972 118.700 -0.031 0.000 2.370 305 N HA 0.009 4.749 4.740 -0.000 0.000 0.198 305 N C -0.235 175.271 175.510 -0.006 0.000 1.156 305 N CA 0.333 53.334 53.050 -0.082 0.000 0.839 305 N CB -0.634 37.684 38.487 -0.281 0.000 0.989 305 N HN 0.231 nan 8.380 nan 0.000 0.468 306 E N -1.200 119.018 120.200 0.031 0.000 2.791 306 E HA -0.182 4.168 4.350 -0.000 0.000 0.271 306 E C -0.771 175.879 176.600 0.084 0.000 1.044 306 E CA 0.793 57.225 56.400 0.054 0.000 0.814 306 E CB -1.731 27.998 29.700 0.047 0.000 1.400 306 E HN 0.633 nan 8.360 nan 0.000 0.423 307 Q N -0.282 119.579 119.800 0.102 0.000 2.378 307 Q HA 0.690 5.030 4.340 -0.000 0.000 0.276 307 Q C -0.017 176.096 176.000 0.190 0.000 1.083 307 Q CA -0.571 55.314 55.803 0.137 0.000 0.856 307 Q CB 1.623 30.468 28.738 0.178 0.000 1.383 307 Q HN 0.008 nan 8.270 nan 0.000 0.458 308 E N 0.418 120.724 120.200 0.176 0.000 2.369 308 E HA 0.490 4.840 4.350 -0.000 0.000 0.270 308 E C -1.157 175.552 176.600 0.181 0.000 0.909 308 E CA -0.570 55.966 56.400 0.228 0.000 0.775 308 E CB 2.036 31.821 29.700 0.142 0.000 1.270 308 E HN 0.227 nan 8.360 nan 0.000 0.445 309 Q N 0.403 120.352 119.800 0.247 0.000 2.305 309 Q HA 0.449 4.789 4.340 -0.000 0.000 0.271 309 Q C -1.212 174.874 176.000 0.143 0.000 1.046 309 Q CA -0.953 54.938 55.803 0.147 0.000 0.798 309 Q CB 3.115 31.913 28.738 0.100 0.000 1.286 309 Q HN 0.393 nan 8.270 nan 0.000 0.435 310 V N 4.986 124.954 119.914 0.089 0.000 2.572 310 V HA 0.082 4.202 4.120 -0.000 0.000 0.291 310 V C 0.326 176.461 176.094 0.068 0.000 1.039 310 V CA 0.690 63.034 62.300 0.074 0.000 1.055 310 V CB 0.301 32.158 31.823 0.056 0.000 0.969 310 V HN 0.811 nan 8.190 nan 0.000 0.482 311 L N 6.332 127.592 121.223 0.061 0.000 2.701 311 L HA 0.617 4.957 4.340 -0.000 0.000 0.238 311 L C 0.874 177.760 176.870 0.026 0.000 1.106 311 L CA 0.613 55.479 54.840 0.043 0.000 0.898 311 L CB 0.275 42.354 42.059 0.033 0.000 1.188 311 L HN 0.873 nan 8.230 nan 0.000 0.508 312 G N 0.001 108.822 108.800 0.036 0.000 2.320 312 G HA2 0.226 4.186 3.960 -0.000 0.000 0.297 312 G HA3 0.226 4.186 3.960 -0.000 0.000 0.297 312 G C -2.109 172.821 174.900 0.051 0.000 1.344 312 G CA -0.552 44.571 45.100 0.040 0.000 0.851 312 G HN -0.107 nan 8.290 nan 0.000 0.567 313 Q N -0.110 119.729 119.800 0.065 0.000 2.263 313 Q HA 0.546 4.886 4.340 -0.000 0.000 0.262 313 Q C -0.710 175.283 176.000 -0.011 0.000 0.984 313 Q CA -0.788 55.056 55.803 0.069 0.000 0.813 313 Q CB 1.645 30.478 28.738 0.158 0.000 1.299 313 Q HN 0.624 nan 8.270 nan 0.000 0.428 314 I N 3.621 124.173 120.570 -0.030 0.000 2.710 314 I HA 0.045 4.215 4.170 -0.000 0.000 0.286 314 I C 0.382 176.437 176.117 -0.103 0.000 1.181 314 I CA -0.132 61.130 61.300 -0.063 0.000 1.430 314 I CB 0.636 38.647 38.000 0.019 0.000 1.367 314 I HN 0.425 nan 8.210 nan 0.000 0.577 315 V N 5.696 125.498 119.914 -0.187 0.000 2.612 315 V HA 0.602 4.722 4.120 -0.000 0.000 0.301 315 V C -0.288 175.695 176.094 -0.186 0.000 1.046 315 V CA -0.854 61.295 62.300 -0.252 0.000 0.946 315 V CB 1.572 33.155 31.823 -0.400 0.000 1.003 315 V HN 0.509 nan 8.190 nan 0.000 0.459 316 L N 3.125 124.113 121.223 -0.390 0.000 2.334 316 L HA 0.948 5.288 4.340 -0.000 0.000 0.270 316 L C 0.283 176.884 176.870 -0.449 0.000 1.018 316 L CA -0.667 53.833 54.840 -0.568 0.000 0.811 316 L CB 1.918 43.276 42.059 -1.167 0.000 1.271 316 L HN 0.969 nan 8.230 nan 0.000 0.443 317 A N 1.862 124.620 122.820 -0.103 0.000 2.413 317 A HA 0.718 5.038 4.320 -0.000 0.000 0.307 317 A C -1.213 176.504 177.584 0.222 0.000 1.087 317 A CA -0.586 51.483 52.037 0.053 0.000 0.750 317 A CB 1.499 20.504 19.000 0.008 0.000 1.296 317 A HN 0.843 nan 8.150 nan 0.000 0.423 318 N N -0.478 118.219 118.700 -0.005 0.000 2.262 318 N HA 0.752 5.492 4.740 -0.000 0.000 0.295 318 N C -1.786 173.429 175.510 -0.492 0.000 1.161 318 N CA -0.346 52.697 53.050 -0.012 0.000 0.767 318 N CB 1.696 40.181 38.487 -0.004 0.000 1.499 318 N HN 0.491 nan 8.380 nan 0.000 0.476 319 F N 0.365 120.311 119.950 -0.006 0.000 2.546 319 F HA 0.493 5.020 4.527 -0.000 0.000 0.320 319 F C 1.100 176.865 175.800 -0.059 0.000 1.076 319 F CA -0.700 57.249 58.000 -0.085 0.000 0.928 319 F CB 1.599 40.493 39.000 -0.178 0.000 1.189 319 F HN 0.565 nan 8.300 nan 0.000 0.465 320 A N 1.404 124.287 122.820 0.105 0.000 1.933 320 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 320 A C 0.787 178.399 177.584 0.047 0.000 1.175 320 A CA 1.896 53.961 52.037 0.047 0.000 0.628 320 A CB -0.505 18.510 19.000 0.026 0.000 0.814 320 A HN 0.632 nan 8.150 nan 0.000 0.444 321 N N -0.802 117.934 118.700 0.060 0.000 2.664 321 N HA 0.219 4.959 4.740 -0.000 0.000 0.257 321 N C -0.244 175.238 175.510 -0.048 0.000 1.108 321 N CA -0.303 52.751 53.050 0.007 0.000 0.822 321 N CB -0.028 38.453 38.487 -0.009 0.000 1.199 321 N HN 0.289 nan 8.380 nan 0.000 0.529 322 N N 0.957 119.630 118.700 -0.045 0.000 2.223 322 N HA -0.164 4.576 4.740 -0.000 0.000 0.185 322 N C 1.043 176.417 175.510 -0.226 0.000 1.016 322 N CA 0.471 53.425 53.050 -0.160 0.000 0.863 322 N CB 0.170 38.623 38.487 -0.057 0.000 0.983 322 N HN 0.583 nan 8.380 nan 0.000 0.429 323 E N 1.119 121.248 120.200 -0.119 0.000 2.333 323 E HA -0.121 4.228 4.350 -0.000 0.000 0.198 323 E C 1.654 178.214 176.600 -0.066 0.000 1.007 323 E CA 0.736 57.089 56.400 -0.079 0.000 0.845 323 E CB -0.116 29.563 29.700 -0.034 0.000 0.766 323 E HN 0.435 nan 8.360 nan 0.000 0.507 324 G N 0.570 109.311 108.800 -0.098 0.000 2.880 324 G HA2 0.064 4.024 3.960 -0.000 0.000 0.209 324 G HA3 0.064 4.024 3.960 -0.000 0.000 0.209 324 G C 0.820 175.659 174.900 -0.102 0.000 1.157 324 G CA -0.348 44.705 45.100 -0.078 0.000 0.779 324 G HN 0.085 nan 8.290 nan 0.000 0.539 325 L N 1.280 122.392 121.223 -0.185 0.000 2.426 325 L HA 0.442 4.782 4.340 -0.000 0.000 0.271 325 L C 0.701 177.673 176.870 0.171 0.000 1.169 325 L CA -0.687 54.051 54.840 -0.169 0.000 0.836 325 L CB 1.208 42.997 42.059 -0.450 0.000 1.112 325 L HN 0.070 nan 8.230 nan 0.000 0.465 326 A N 2.725 125.649 122.820 0.174 0.000 2.302 326 A HA 0.316 4.636 4.320 -0.000 0.000 0.295 326 A C 0.206 177.895 177.584 0.174 0.000 1.235 326 A CA -0.252 51.886 52.037 0.168 0.000 0.876 326 A CB 0.651 19.706 19.000 0.092 0.000 1.133 326 A HN 0.629 nan 8.150 nan 0.000 0.533 327 S N 1.770 117.478 115.700 0.012 0.000 2.516 327 S HA 0.117 4.587 4.470 -0.000 0.000 0.282 327 S C 0.693 175.129 174.600 -0.274 0.000 1.286 327 S CA -0.247 57.676 58.200 -0.462 0.000 1.066 327 S CB 0.260 63.122 63.200 -0.563 0.000 0.884 327 S HN 0.642 nan 8.310 nan 0.000 0.491 328 Q N 3.134 122.741 119.800 -0.321 0.000 2.247 328 Q HA 0.263 4.603 4.340 -0.000 0.000 0.204 328 Q C 1.048 176.908 176.000 -0.233 0.000 0.872 328 Q CA 0.538 56.227 55.803 -0.191 0.000 0.951 328 Q CB 0.228 28.880 28.738 -0.144 0.000 1.099 328 Q HN 1.053 nan 8.270 nan 0.000 0.501 329 G N 1.693 110.315 108.800 -0.295 0.000 2.730 329 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 329 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 329 G C -0.432 174.323 174.900 -0.241 0.000 1.343 329 G CA -0.425 44.532 45.100 -0.238 0.000 0.826 329 G HN 0.231 nan 8.290 nan 0.000 0.582 330 D N -0.707 119.588 120.400 -0.175 0.000 3.215 330 D HA -0.256 4.384 4.640 -0.000 0.000 0.194 330 D C 0.702 176.898 176.300 -0.172 0.000 1.369 330 D CA 1.392 55.310 54.000 -0.136 0.000 1.068 330 D CB -0.542 40.191 40.800 -0.112 0.000 0.604 330 D HN 0.879 nan 8.370 nan 0.000 0.683 331 N N 0.340 118.984 118.700 -0.093 0.000 2.635 331 N HA 0.312 5.052 4.740 -0.000 0.000 0.307 331 N C -1.277 174.236 175.510 0.006 0.000 1.433 331 N CA -0.016 53.026 53.050 -0.013 0.000 0.973 331 N CB 0.210 38.793 38.487 0.160 0.000 1.304 331 N HN 0.159 nan 8.380 nan 0.000 0.507 332 V N 0.704 120.461 119.914 -0.261 0.000 2.581 332 V HA 0.599 4.719 4.120 -0.000 0.000 0.303 332 V C -0.726 175.163 176.094 -0.342 0.000 1.041 332 V CA -0.593 61.646 62.300 -0.101 0.000 0.907 332 V CB 1.485 33.247 31.823 -0.102 0.000 0.994 332 V HN 0.188 nan 8.190 nan 0.000 0.442 333 W N 1.474 122.880 121.300 0.178 0.000 3.033 333 W HA 0.800 5.460 4.660 -0.000 0.000 0.336 333 W C -0.292 176.372 176.519 0.242 0.000 1.173 333 W CA -0.534 56.882 57.345 0.118 0.000 1.185 333 W CB 2.065 31.489 29.460 -0.060 0.000 1.425 333 W HN 0.675 nan 8.180 nan 0.000 0.536 334 A N 1.323 124.371 122.820 0.380 0.000 2.355 334 A HA 0.917 5.237 4.320 -0.000 0.000 0.324 334 A C -0.467 177.156 177.584 0.064 0.000 1.117 334 A CA -0.738 51.452 52.037 0.256 0.000 0.785 334 A CB 0.815 19.925 19.000 0.183 0.000 1.254 334 A HN 0.898 nan 8.150 nan 0.000 0.453 335 A N 1.124 123.975 122.820 0.051 0.000 2.386 335 A HA 0.666 4.986 4.320 -0.000 0.000 0.248 335 A C 0.721 178.284 177.584 -0.035 0.000 1.082 335 A CA 0.607 52.583 52.037 -0.101 0.000 0.789 335 A CB -0.126 18.932 19.000 0.096 0.000 1.025 335 A HN 1.840 nan 8.150 nan 0.000 0.490 336 T N -1.573 112.943 114.554 -0.062 0.000 2.804 336 T HA 0.380 4.730 4.350 -0.000 0.000 0.290 336 T C 0.746 175.441 174.700 -0.008 0.000 1.099 336 T CA -0.273 61.814 62.100 -0.022 0.000 1.011 336 T CB 1.266 70.118 68.868 -0.026 0.000 1.291 336 T HN 0.584 nan 8.240 nan 0.000 0.523 337 Q N -0.259 119.541 119.800 0.001 0.000 2.170 337 Q HA -0.084 4.256 4.340 -0.000 0.000 0.203 337 Q C 2.277 178.278 176.000 0.001 0.000 0.976 337 Q CA 1.673 57.480 55.803 0.006 0.000 0.858 337 Q CB -0.591 28.151 28.738 0.007 0.000 0.907 337 Q HN 0.848 nan 8.270 nan 0.000 0.433 338 A N 0.399 123.213 122.820 -0.010 0.000 1.969 338 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 338 A C 2.141 179.710 177.584 -0.024 0.000 1.169 338 A CA 1.724 53.753 52.037 -0.014 0.000 0.635 338 A CB -0.455 18.535 19.000 -0.016 0.000 0.810 338 A HN 0.547 nan 8.150 nan 0.000 0.445 339 S N -1.644 114.026 115.700 -0.050 0.000 2.446 339 S HA 0.414 4.884 4.470 -0.000 0.000 0.225 339 S C 1.195 175.825 174.600 0.050 0.000 1.016 339 S CA 0.954 59.110 58.200 -0.073 0.000 0.943 339 S CB -0.718 62.306 63.200 -0.293 0.000 0.786 339 S HN 2.088 nan 8.310 nan 0.000 0.508 340 G N 0.359 109.195 108.800 0.060 0.000 2.756 340 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.678 340 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.678 340 G C -0.493 174.508 174.900 0.168 0.000 1.349 340 G CA -0.499 44.657 45.100 0.094 0.000 0.847 340 G HN 1.009 nan 8.290 nan 0.000 0.548 341 V N 0.999 120.973 119.914 0.099 0.000 2.963 341 V HA 0.548 4.668 4.120 -0.000 0.000 0.306 341 V C 1.496 177.566 176.094 -0.040 0.000 1.077 341 V CA 0.749 63.096 62.300 0.079 0.000 1.124 341 V CB 0.972 32.813 31.823 0.031 0.000 0.987 341 V HN 2.412 nan 8.190 nan 0.000 0.487 342 A N 6.356 129.079 122.820 -0.162 0.000 2.477 342 A HA 0.454 4.774 4.320 -0.000 0.000 0.246 342 A C -0.526 176.865 177.584 -0.322 0.000 1.078 342 A CA -0.059 51.577 52.037 -0.668 0.000 0.770 342 A CB 0.006 18.708 19.000 -0.495 0.000 1.011 342 A HN 0.885 nan 8.150 nan 0.000 0.494 343 L N 3.516 124.531 121.223 -0.347 0.000 2.287 343 L HA 0.516 4.856 4.340 -0.000 0.000 0.287 343 L C -0.513 176.357 176.870 0.000 0.000 1.022 343 L CA -0.022 54.747 54.840 -0.118 0.000 0.814 343 L CB 1.050 43.049 42.059 -0.100 0.000 1.217 343 L HN 0.659 nan 8.230 nan 0.000 0.420 344 L N 4.297 125.560 121.223 0.065 0.000 2.360 344 L HA 0.907 5.247 4.340 -0.000 0.000 0.271 344 L C 0.565 177.574 176.870 0.231 0.000 1.057 344 L CA -0.380 54.529 54.840 0.115 0.000 0.803 344 L CB 1.489 43.598 42.059 0.083 0.000 1.207 344 L HN 0.752 nan 8.230 nan 0.000 0.445 345 G N 0.189 109.104 108.800 0.193 0.000 2.664 345 G HA2 0.584 4.544 3.960 -0.000 0.000 0.303 345 G HA3 0.584 4.544 3.960 -0.000 0.000 0.303 345 G C -1.263 173.643 174.900 0.010 0.000 1.243 345 G CA -0.104 45.152 45.100 0.260 0.000 0.826 345 G HN 0.552 nan 8.290 nan 0.000 0.498 346 T N -2.183 112.431 114.554 0.100 0.000 2.907 346 T HA 0.734 5.084 4.350 -0.000 0.000 0.292 346 T C 0.213 174.940 174.700 0.045 0.000 1.043 346 T CA 0.220 62.326 62.100 0.010 0.000 1.003 346 T CB 1.605 70.541 68.868 0.113 0.000 1.084 346 T HN 1.812 nan 8.240 nan 0.000 0.483 347 A N 0.720 123.527 122.820 -0.022 0.000 2.548 347 A HA 0.518 4.838 4.320 -0.000 0.000 0.247 347 A C 1.620 179.259 177.584 0.092 0.000 1.067 347 A CA 0.479 52.546 52.037 0.051 0.000 0.757 347 A CB -1.402 17.613 19.000 0.025 0.000 0.996 347 A HN 2.454 nan 8.150 nan 0.000 0.504 348 G N 1.421 110.291 108.800 0.115 0.000 2.157 348 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.239 348 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.239 348 G C 0.213 175.165 174.900 0.087 0.000 0.982 348 G CA 0.299 45.451 45.100 0.086 0.000 0.650 348 G HN 1.361 nan 8.290 nan 0.000 0.527 349 S N -1.082 114.693 115.700 0.125 0.000 2.549 349 S HA 0.772 5.242 4.470 -0.000 0.000 0.280 349 S C 1.115 175.786 174.600 0.118 0.000 1.109 349 S CA 0.655 58.919 58.200 0.107 0.000 0.905 349 S CB 1.646 64.912 63.200 0.108 0.000 1.081 349 S HN 2.032 nan 8.310 nan 0.000 0.477 350 G N 3.417 112.249 108.800 0.053 0.000 2.690 350 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.334 350 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.334 350 G C 0.929 175.776 174.900 -0.088 0.000 1.250 350 G CA 1.168 46.267 45.100 -0.002 0.000 0.994 350 G HN 0.675 nan 8.290 nan 0.000 0.549 351 N N 0.459 119.011 118.700 -0.247 0.000 2.381 351 N HA 0.093 4.833 4.740 -0.000 0.000 0.182 351 N C 0.391 175.538 175.510 -0.606 0.000 1.025 351 N CA 0.842 53.565 53.050 -0.545 0.000 0.888 351 N CB -0.192 37.725 38.487 -0.950 0.000 0.965 351 N HN 0.367 nan 8.380 nan 0.000 0.438 352 F N -0.333 119.604 119.950 -0.022 0.000 2.458 352 F HA 0.555 5.082 4.527 -0.000 0.000 0.336 352 F C 1.229 177.016 175.800 -0.021 0.000 1.114 352 F CA -1.182 56.800 58.000 -0.030 0.000 0.987 352 F CB 1.272 40.253 39.000 -0.032 0.000 1.130 352 F HN -0.207 nan 8.300 nan 0.000 0.458 353 G N 1.923 110.803 108.800 0.135 0.000 2.599 353 G HA2 0.314 4.274 3.960 -0.000 0.000 0.264 353 G HA3 0.314 4.274 3.960 -0.000 0.000 0.264 353 G C -0.423 174.530 174.900 0.088 0.000 1.200 353 G CA -0.855 44.294 45.100 0.081 0.000 0.896 353 G HN 0.573 nan 8.290 nan 0.000 0.536 354 K N -0.554 119.883 120.400 0.062 0.000 2.336 354 K HA 0.111 4.431 4.320 -0.000 0.000 0.262 354 K C 0.502 177.132 176.600 0.050 0.000 0.992 354 K CA -0.085 56.236 56.287 0.056 0.000 0.927 354 K CB 0.549 33.078 32.500 0.047 0.000 0.956 354 K HN 0.240 nan 8.250 nan 0.000 0.495 355 L N 1.588 122.847 121.223 0.059 0.000 2.483 355 L HA -0.072 4.268 4.340 -0.000 0.000 0.275 355 L C 2.158 179.066 176.870 0.063 0.000 1.220 355 L CA 0.053 54.939 54.840 0.075 0.000 0.833 355 L CB 0.308 42.438 42.059 0.118 0.000 1.102 355 L HN 0.911 nan 8.230 nan 0.000 0.490 356 T N -1.358 113.234 114.554 0.064 0.000 2.833 356 T HA -0.103 4.247 4.350 -0.000 0.000 0.269 356 T C 0.682 175.410 174.700 0.047 0.000 1.054 356 T CA 1.114 63.243 62.100 0.047 0.000 1.135 356 T CB -0.097 68.797 68.868 0.044 0.000 0.869 356 T HN 0.657 nan 8.240 nan 0.000 0.466 368 S N 0.624 116.328 115.700 0.006 0.000 2.383 368 S HA -0.131 4.339 4.470 -0.000 0.000 0.227 368 S C 1.679 176.283 174.600 0.006 0.000 1.026 368 S CA 1.303 59.506 58.200 0.005 0.000 0.981 368 S CB -0.220 62.983 63.200 0.005 0.000 0.818 368 S HN 0.346 nan 8.310 nan 0.000 0.472 369 K N 1.232 121.636 120.400 0.006 0.000 2.057 369 K HA -0.049 4.271 4.320 -0.000 0.000 0.207 369 K C 2.395 179.000 176.600 0.008 0.000 1.049 369 K CA 1.574 57.865 56.287 0.007 0.000 0.931 369 K CB -0.180 32.324 32.500 0.007 0.000 0.714 369 K HN 0.571 nan 8.250 nan 0.000 0.440 370 E N 0.985 121.189 120.200 0.008 0.000 2.031 370 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 370 E C 2.106 178.710 176.600 0.007 0.000 0.994 370 E CA 0.992 57.397 56.400 0.008 0.000 0.800 370 E CB -0.156 29.549 29.700 0.009 0.000 0.752 370 E HN 0.189 nan 8.360 nan 0.000 0.447 371 L N 0.761 121.987 121.223 0.006 0.000 2.043 371 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 371 L C 2.522 179.396 176.870 0.007 0.000 1.075 371 L CA 0.813 55.656 54.840 0.006 0.000 0.752 371 L CB -0.550 41.512 42.059 0.005 0.000 0.891 371 L HN 0.055 nan 8.230 nan 0.000 0.432 372 V N 0.035 119.954 119.914 0.008 0.000 2.295 372 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 372 V C 2.251 178.351 176.094 0.010 0.000 1.049 372 V CA 1.883 64.189 62.300 0.009 0.000 1.024 372 V CB -0.683 31.145 31.823 0.008 0.000 0.648 372 V HN 0.492 nan 8.190 nan 0.000 0.447 373 N N -0.089 118.617 118.700 0.010 0.000 2.104 373 N HA -0.152 4.588 4.740 -0.000 0.000 0.190 373 N C 1.743 177.260 175.510 0.011 0.000 1.024 373 N CA 1.471 54.527 53.050 0.011 0.000 0.853 373 N CB -0.372 38.121 38.487 0.010 0.000 1.008 373 N HN 0.325 nan 8.380 nan 0.000 0.424 374 M N 0.448 120.053 119.600 0.008 0.000 2.159 374 M HA -0.020 4.460 4.480 -0.000 0.000 0.263 374 M C 2.153 178.459 176.300 0.010 0.000 1.063 374 M CA 0.903 56.206 55.300 0.005 0.000 1.110 374 M CB -0.841 31.760 32.600 0.001 0.000 1.374 374 M HN 0.101 nan 8.290 nan 0.000 0.411 375 I N -0.373 120.205 120.570 0.012 0.000 2.226 375 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 375 I C 2.400 178.532 176.117 0.024 0.000 1.100 375 I CA 0.865 62.175 61.300 0.017 0.000 1.374 375 I CB -0.451 37.557 38.000 0.015 0.000 1.057 375 I HN 0.018 nan 8.210 nan 0.000 0.413 376 V N 1.046 120.973 119.914 0.022 0.000 2.407 376 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 376 V C 2.706 178.821 176.094 0.035 0.000 1.055 376 V CA 1.957 64.272 62.300 0.025 0.000 1.049 376 V CB -0.985 30.850 31.823 0.020 0.000 0.662 376 V HN 0.487 nan 8.190 nan 0.000 0.455 377 A N -0.568 122.271 122.820 0.033 0.000 1.858 377 A HA -0.276 4.044 4.320 -0.000 0.000 0.216 377 A C 2.178 179.803 177.584 0.069 0.000 1.190 377 A CA 1.877 53.939 52.037 0.042 0.000 0.617 377 A CB -0.541 18.472 19.000 0.022 0.000 0.827 377 A HN 0.602 nan 8.150 nan 0.000 0.443 378 Q N -0.604 119.228 119.800 0.053 0.000 2.112 378 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 378 Q C 2.362 178.437 176.000 0.124 0.000 0.987 378 Q CA 1.712 57.564 55.803 0.081 0.000 0.858 378 Q CB -0.243 28.523 28.738 0.046 0.000 0.905 378 Q HN 0.604 nan 8.270 nan 0.000 0.420 379 R N 0.427 120.975 120.500 0.080 0.000 2.070 379 R HA -0.106 4.234 4.340 -0.000 0.000 0.233 379 R C 2.023 178.365 176.300 0.070 0.000 1.137 379 R CA 1.402 57.541 56.100 0.065 0.000 0.945 379 R CB -0.294 30.031 30.300 0.041 0.000 0.845 379 R HN 0.313 nan 8.270 nan 0.000 0.430 380 N N 0.396 119.141 118.700 0.074 0.000 2.104 380 N HA -0.232 4.508 4.740 -0.000 0.000 0.190 380 N C 1.595 177.158 175.510 0.088 0.000 1.024 380 N CA 1.302 54.392 53.050 0.067 0.000 0.853 380 N CB -0.565 37.962 38.487 0.066 0.000 1.008 380 N HN 0.296 nan 8.380 nan 0.000 0.424 381 Y N 1.852 122.157 120.300 0.008 0.000 2.181 381 Y HA -0.180 4.370 4.550 -0.000 0.000 0.288 381 Y C 2.293 178.199 175.900 0.010 0.000 1.146 381 Y CA 1.658 59.764 58.100 0.010 0.000 1.164 381 Y CB -0.253 38.212 38.460 0.009 0.000 0.982 381 Y HN 0.143 nan 8.280 nan 0.000 0.515 382 Q N -0.418 119.395 119.800 0.022 0.000 2.084 382 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 382 Q C 2.519 178.462 176.000 -0.094 0.000 0.978 382 Q CA 2.076 57.845 55.803 -0.057 0.000 0.844 382 Q CB -0.305 28.453 28.738 0.033 0.000 0.898 382 Q HN 0.632 nan 8.270 nan 0.000 0.426 383 S N 0.998 116.669 115.700 -0.049 0.000 2.382 383 S HA -0.141 4.329 4.470 -0.000 0.000 0.228 383 S C 1.613 176.170 174.600 -0.072 0.000 1.027 383 S CA 1.229 59.403 58.200 -0.043 0.000 0.991 383 S CB -0.305 62.886 63.200 -0.014 0.000 0.823 383 S HN 0.291 nan 8.310 nan 0.000 0.469 384 N N 2.797 121.435 118.700 -0.104 0.000 2.142 384 N HA 0.088 4.828 4.740 -0.000 0.000 0.186 384 N C 1.978 177.391 175.510 -0.162 0.000 1.023 384 N CA 1.489 54.470 53.050 -0.115 0.000 0.852 384 N CB -0.991 37.429 38.487 -0.112 0.000 0.998 384 N HN 0.622 nan 8.380 nan 0.000 0.424 385 A N 1.220 123.875 122.820 -0.275 0.000 1.902 385 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 385 A C 2.156 179.664 177.584 -0.126 0.000 1.181 385 A CA 1.222 53.109 52.037 -0.250 0.000 0.623 385 A CB -0.534 18.258 19.000 -0.348 0.000 0.818 385 A HN 0.329 nan 8.150 nan 0.000 0.443 386 Q N -0.569 119.171 119.800 -0.100 0.000 2.084 386 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 386 Q C 2.350 178.325 176.000 -0.041 0.000 0.978 386 Q CA 2.034 57.803 55.803 -0.057 0.000 0.844 386 Q CB -0.484 28.229 28.738 -0.043 0.000 0.898 386 Q HN 0.906 nan 8.270 nan 0.000 0.426 387 T N -0.722 113.807 114.554 -0.041 0.000 2.821 387 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 387 T C 1.883 176.577 174.700 -0.010 0.000 1.046 387 T CA 0.910 62.997 62.100 -0.021 0.000 1.139 387 T CB -0.361 68.497 68.868 -0.017 0.000 0.871 387 T HN 0.152 nan 8.240 nan 0.000 0.454 388 I N 1.300 121.858 120.570 -0.019 0.000 2.142 388 I HA -0.140 4.030 4.170 -0.000 0.000 0.240 388 I C 2.849 178.960 176.117 -0.011 0.000 1.078 388 I CA 1.504 62.805 61.300 0.002 0.000 1.343 388 I CB -0.307 37.689 38.000 -0.006 0.000 1.046 388 I HN 0.216 nan 8.210 nan 0.000 0.405 389 K N 0.463 120.847 120.400 -0.027 0.000 2.074 389 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 389 K C 2.131 178.717 176.600 -0.023 0.000 1.048 389 K CA 2.200 58.470 56.287 -0.028 0.000 0.926 389 K CB -0.555 31.927 32.500 -0.030 0.000 0.713 389 K HN 0.541 nan 8.250 nan 0.000 0.444 390 T N -0.670 113.873 114.554 -0.018 0.000 2.746 390 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 390 T C 1.975 176.668 174.700 -0.011 0.000 1.039 390 T CA 1.073 63.164 62.100 -0.013 0.000 1.142 390 T CB -0.251 68.612 68.868 -0.010 0.000 0.866 390 T HN 0.233 nan 8.240 nan 0.000 0.444 391 Q N 0.789 120.586 119.800 -0.003 0.000 2.124 391 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 391 Q C 2.172 178.155 176.000 -0.028 0.000 0.977 391 Q CA 1.654 57.459 55.803 0.003 0.000 0.850 391 Q CB -0.216 28.546 28.738 0.039 0.000 0.901 391 Q HN 0.588 nan 8.270 nan 0.000 0.429 392 D N 0.536 120.910 120.400 -0.044 0.000 2.144 392 D HA -0.148 4.492 4.640 -0.000 0.000 0.200 392 D C 1.864 178.132 176.300 -0.053 0.000 0.978 392 D CA 1.071 55.029 54.000 -0.071 0.000 0.833 392 D CB -0.126 40.632 40.800 -0.069 0.000 0.961 392 D HN 0.324 nan 8.370 nan 0.000 0.470 393 Q N 0.067 119.846 119.800 -0.036 0.000 2.124 393 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 393 Q C 2.444 178.429 176.000 -0.025 0.000 0.977 393 Q CA 0.737 56.523 55.803 -0.028 0.000 0.850 393 Q CB -0.006 28.720 28.738 -0.021 0.000 0.901 393 Q HN 0.353 nan 8.270 nan 0.000 0.429 394 I N 0.537 121.093 120.570 -0.022 0.000 2.315 394 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 394 I C 2.075 178.178 176.117 -0.023 0.000 1.117 394 I CA 0.997 62.287 61.300 -0.017 0.000 1.404 394 I CB -0.213 37.782 38.000 -0.008 0.000 1.071 394 I HN 0.189 nan 8.210 nan 0.000 0.419 395 L N 0.473 121.675 121.223 -0.036 0.000 2.056 395 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 395 L C 2.261 179.106 176.870 -0.043 0.000 1.078 395 L CA 1.130 55.942 54.840 -0.047 0.000 0.749 395 L CB -0.774 41.234 42.059 -0.084 0.000 0.901 395 L HN 0.314 nan 8.230 nan 0.000 0.433 396 N N -0.304 118.371 118.700 -0.042 0.000 2.166 396 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 396 N C 1.989 177.484 175.510 -0.025 0.000 1.019 396 N CA 1.986 55.015 53.050 -0.035 0.000 0.856 396 N CB -0.670 37.797 38.487 -0.034 0.000 0.993 396 N HN 0.461 nan 8.380 nan 0.000 0.426 397 T N -0.749 113.792 114.554 -0.021 0.000 2.821 397 T HA 0.025 4.375 4.350 -0.000 0.000 0.267 397 T C 2.128 176.819 174.700 -0.014 0.000 1.046 397 T CA 0.620 62.710 62.100 -0.016 0.000 1.139 397 T CB -0.496 68.364 68.868 -0.013 0.000 0.871 397 T HN 0.079 nan 8.240 nan 0.000 0.454 398 L N 0.670 121.884 121.223 -0.015 0.000 2.072 398 L HA 0.026 4.366 4.340 -0.000 0.000 0.205 398 L C 2.962 179.825 176.870 -0.013 0.000 1.079 398 L CA 0.608 55.441 54.840 -0.012 0.000 0.752 398 L CB -0.643 41.409 42.059 -0.011 0.000 0.906 398 L HN 0.137 nan 8.230 nan 0.000 0.436 399 V N 0.519 120.422 119.914 -0.018 0.000 2.407 399 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 399 V C 2.006 178.091 176.094 -0.014 0.000 1.055 399 V CA 1.766 64.055 62.300 -0.018 0.000 1.049 399 V CB -0.659 31.150 31.823 -0.024 0.000 0.662 399 V HN 0.545 nan 8.190 nan 0.000 0.455 400 N N 0.140 118.832 118.700 -0.014 0.000 2.494 400 N HA 0.010 4.750 4.740 -0.000 0.000 0.182 400 N C 1.559 177.064 175.510 -0.009 0.000 1.076 400 N CA 0.744 53.787 53.050 -0.011 0.000 0.908 400 N CB -0.174 38.306 38.487 -0.012 0.000 0.967 400 N HN 0.416 nan 8.380 nan 0.000 0.449 401 L N 0.047 121.264 121.223 -0.009 0.000 2.465 401 L HA 0.048 4.388 4.340 -0.000 0.000 0.224 401 L C 0.115 176.982 176.870 -0.005 0.000 1.145 401 L CA 0.357 55.194 54.840 -0.006 0.000 0.834 401 L CB -0.192 41.864 42.059 -0.006 0.000 0.944 401 L HN 0.084 nan 8.230 nan 0.000 0.451 402 R N 0.000 120.496 120.500 -0.006 0.000 2.786 402 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 402 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 402 R CB 0.000 30.298 30.300 -0.004 0.000 0.687 402 R HN 0.000 nan 8.270 nan 0.000 0.535