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 2yri_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLLLTPGPTP IPERVQKALL RPMRGHLDPE VLRVNRAIQE RLAALFDPGE DATA SEQUENCE GALVAALAGS GSLGMEAGLA NLDRGPVLVL VNGAFSQRVA EMAALHGLDP DATA SEQUENCE EVLDFPPGEP VDPEAVARAL KRRRYRMVAL VHGETSTGVL NPAEAIGALA DATA SEQUENCE KEAGALFFLD AVTTLGMLPF SMRAMGVDYA FTGSQKCLSA PPGLAPIAAS DATA SEQUENCE LEARKAFTGK RGWYLDLARV AEHWERGGYH HTTPVLLHYA LLEALDLVLE DATA SEQUENCE EGVAARERRA REVYAWVLEE LKARGFRPYP KASPLPTVLV VRPPEGVDAD DATA SEQUENCE RLVRALYAEG VAVAGGIGPT RGQVLRLGLM GEGARREAYQ AFLKALDRAL DATA SEQUENCE AL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.270 176.300 -0.049 0.000 1.140 1 M CA 0.000 55.245 55.300 -0.092 0.000 0.988 1 M CB 0.000 32.540 32.600 -0.100 0.000 1.302 2 L N 4.735 125.928 121.223 -0.051 0.000 2.477 2 L HA 0.432 4.771 4.340 -0.000 0.000 0.272 2 L C -1.060 175.790 176.870 -0.033 0.000 1.157 2 L CA 0.174 54.989 54.840 -0.042 0.000 0.889 2 L CB 0.487 42.516 42.059 -0.050 0.000 1.158 2 L HN 0.812 nan 8.230 nan 0.000 0.473 3 L N 6.962 128.167 121.223 -0.028 0.000 2.302 3 L HA 0.306 4.646 4.340 -0.000 0.000 0.285 3 L C -0.093 176.752 176.870 -0.042 0.000 1.090 3 L CA 0.560 55.392 54.840 -0.014 0.000 0.866 3 L CB 0.013 42.075 42.059 0.003 0.000 1.244 3 L HN 0.663 nan 8.230 nan 0.000 0.435 4 L N 3.906 125.093 121.223 -0.061 0.000 3.017 4 L HA 0.222 4.562 4.340 -0.000 0.000 0.255 4 L C 0.570 177.415 176.870 -0.042 0.000 1.247 4 L CA -0.291 54.486 54.840 -0.106 0.000 1.038 4 L CB -0.116 41.765 42.059 -0.297 0.000 1.380 4 L HN 0.611 nan 8.230 nan 0.000 0.548 5 T N -2.156 112.396 114.554 -0.004 0.000 2.898 5 T HA 0.200 4.550 4.350 -0.000 0.000 0.301 5 T C -2.106 172.600 174.700 0.011 0.000 1.049 5 T CA -1.553 60.556 62.100 0.015 0.000 1.095 5 T CB 0.889 69.775 68.868 0.031 0.000 0.976 5 T HN -0.023 nan 8.240 nan 0.000 0.539 6 P HA 0.322 nan 4.420 nan 0.000 0.218 6 P C 0.319 177.614 177.300 -0.008 0.000 1.793 6 P CA 0.058 63.162 63.100 0.007 0.000 0.941 6 P CB -0.745 30.964 31.700 0.015 0.000 1.919 7 G N 2.042 110.840 108.800 -0.004 0.000 3.438 7 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.684 7 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.684 7 G C -2.987 171.918 174.900 0.008 0.000 1.192 7 G CA -0.961 44.132 45.100 -0.011 0.000 1.013 7 G HN 0.144 nan 8.290 nan 0.000 0.530 8 P HA 0.527 nan 4.420 nan 0.000 0.282 8 P C 0.476 177.780 177.300 0.006 0.000 1.286 8 P CA 0.494 63.600 63.100 0.009 0.000 0.777 8 P CB 0.730 32.441 31.700 0.018 0.000 1.184 9 T N -5.305 109.251 114.554 0.004 0.000 2.887 9 T HA 0.583 4.933 4.350 -0.000 0.000 0.292 9 T C -2.945 171.758 174.700 0.005 0.000 1.087 9 T CA -2.384 59.718 62.100 0.003 0.000 1.009 9 T CB 0.645 69.512 68.868 -0.002 0.000 1.203 9 T HN 0.104 nan 8.240 nan 0.000 0.518 10 P HA 0.378 nan 4.420 nan 0.000 0.269 10 P C -0.818 176.487 177.300 0.007 0.000 1.209 10 P CA -0.277 62.826 63.100 0.005 0.000 0.776 10 P CB 0.251 31.952 31.700 0.002 0.000 0.876 11 I N 4.323 124.899 120.570 0.010 0.000 2.354 11 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 11 I C -2.061 174.064 176.117 0.013 0.000 0.989 11 I CA -2.596 58.712 61.300 0.013 0.000 1.188 11 I CB 1.459 39.470 38.000 0.019 0.000 1.342 11 I HN 0.170 nan 8.210 nan 0.000 0.457 12 P HA 0.019 nan 4.420 nan 0.000 0.267 12 P C 0.626 177.935 177.300 0.014 0.000 1.200 12 P CA -0.089 63.018 63.100 0.011 0.000 0.772 12 P CB 0.808 32.513 31.700 0.009 0.000 0.855 13 E N 2.642 122.850 120.200 0.012 0.000 2.058 13 E HA -0.285 4.065 4.350 -0.000 0.000 0.194 13 E C 1.918 178.528 176.600 0.016 0.000 0.997 13 E CA 1.076 57.485 56.400 0.014 0.000 0.801 13 E CB -0.070 29.636 29.700 0.010 0.000 0.746 13 E HN 0.299 nan 8.360 nan 0.000 0.450 14 R N 0.157 120.665 120.500 0.014 0.000 2.117 14 R HA -0.169 4.170 4.340 -0.000 0.000 0.243 14 R C 2.072 178.385 176.300 0.023 0.000 1.143 14 R CA 1.671 57.779 56.100 0.014 0.000 0.968 14 R CB -0.153 30.154 30.300 0.010 0.000 0.863 14 R HN 0.141 nan 8.270 nan 0.000 0.444 15 V N 0.715 120.644 119.914 0.025 0.000 2.283 15 V HA -0.209 3.911 4.120 -0.000 0.000 0.243 15 V C 2.481 178.603 176.094 0.047 0.000 1.039 15 V CA 2.043 64.365 62.300 0.036 0.000 1.016 15 V CB -0.659 31.182 31.823 0.029 0.000 0.650 15 V HN 0.433 nan 8.190 nan 0.000 0.449 16 Q N 0.609 120.432 119.800 0.039 0.000 2.124 16 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 16 Q C 2.331 178.360 176.000 0.048 0.000 0.977 16 Q CA 2.344 58.174 55.803 0.044 0.000 0.850 16 Q CB -0.251 28.507 28.738 0.034 0.000 0.901 16 Q HN 0.670 nan 8.270 nan 0.000 0.429 17 K N 0.013 120.436 120.400 0.039 0.000 2.209 17 K HA 0.027 4.347 4.320 -0.000 0.000 0.204 17 K C 1.861 178.488 176.600 0.044 0.000 1.048 17 K CA 1.258 57.566 56.287 0.035 0.000 0.940 17 K CB -0.999 31.514 32.500 0.022 0.000 0.729 17 K HN 0.479 nan 8.250 nan 0.000 0.451 18 A N 0.752 123.606 122.820 0.056 0.000 2.121 18 A HA 0.114 4.434 4.320 -0.000 0.000 0.218 18 A C 2.207 179.874 177.584 0.138 0.000 1.154 18 A CA 1.108 53.188 52.037 0.072 0.000 0.679 18 A CB -0.364 18.691 19.000 0.091 0.000 0.795 18 A HN 0.467 nan 8.150 nan 0.000 0.458 19 L N -0.754 120.547 121.223 0.130 0.000 2.456 19 L HA -0.048 4.292 4.340 -0.000 0.000 0.224 19 L C 1.701 178.653 176.870 0.136 0.000 1.148 19 L CA 0.421 55.351 54.840 0.151 0.000 0.825 19 L CB -0.318 41.801 42.059 0.101 0.000 0.937 19 L HN 0.376 nan 8.230 nan 0.000 0.450 20 L N -0.783 120.497 121.223 0.096 0.000 2.591 20 L HA 0.065 4.405 4.340 -0.000 0.000 0.228 20 L C 1.074 177.982 176.870 0.063 0.000 1.133 20 L CA -0.075 54.807 54.840 0.070 0.000 0.880 20 L CB -0.253 41.831 42.059 0.041 0.000 1.033 20 L HN 0.186 nan 8.230 nan 0.000 0.450 21 R N 0.759 121.300 120.500 0.068 0.000 2.694 21 R HA 0.156 4.496 4.340 -0.000 0.000 0.268 21 R C -2.079 174.270 176.300 0.082 0.000 1.061 21 R CA -1.707 54.385 56.100 -0.012 0.000 1.133 21 R CB -0.337 29.807 30.300 -0.259 0.000 1.020 21 R HN -0.156 nan 8.270 nan 0.000 0.475 22 P HA -0.106 nan 4.420 nan 0.000 0.260 22 P C -0.440 176.971 177.300 0.186 0.000 1.185 22 P CA 0.178 63.326 63.100 0.081 0.000 0.763 22 P CB 0.397 32.117 31.700 0.033 0.000 0.776 23 M N 4.985 124.683 119.600 0.162 0.000 2.249 23 M HA 0.114 4.594 4.480 -0.000 0.000 0.340 23 M C 0.032 176.410 176.300 0.129 0.000 1.166 23 M CA 1.144 56.537 55.300 0.155 0.000 1.115 23 M CB -0.039 32.609 32.600 0.081 0.000 1.606 23 M HN 0.265 nan 8.290 nan 0.000 0.448 24 R N 2.063 122.634 120.500 0.118 0.000 2.855 24 R HA 0.687 5.027 4.340 -0.000 0.000 0.266 24 R C -0.423 175.903 176.300 0.043 0.000 1.034 24 R CA -0.807 55.344 56.100 0.085 0.000 0.944 24 R CB 1.404 31.780 30.300 0.128 0.000 1.219 24 R HN 0.938 nan 8.270 nan 0.000 0.474 25 G N 0.150 108.962 108.800 0.021 0.000 2.483 25 G HA2 0.015 3.975 3.960 -0.000 0.000 0.248 25 G HA3 0.015 3.975 3.960 -0.000 0.000 0.248 25 G C 0.763 175.649 174.900 -0.024 0.000 1.248 25 G CA -0.305 44.800 45.100 0.009 0.000 0.838 25 G HN 0.908 nan 8.290 nan 0.000 0.566 26 H N 0.991 120.023 119.070 -0.064 0.000 2.518 26 H HA -0.029 4.527 4.556 -0.000 0.000 0.289 26 H C 1.470 176.795 175.328 -0.005 0.000 1.051 26 H CA 0.830 56.828 56.048 -0.083 0.000 1.280 26 H CB -0.112 29.587 29.762 -0.106 0.000 1.380 26 H HN 0.388 nan 8.280 nan 0.000 0.566 27 L N 0.781 121.759 121.223 -0.409 0.000 2.693 27 L HA 0.134 4.474 4.340 -0.000 0.000 0.235 27 L C 0.573 177.364 176.870 -0.132 0.000 1.127 27 L CA -0.285 54.420 54.840 -0.225 0.000 0.914 27 L CB 0.217 42.096 42.059 -0.301 0.000 1.193 27 L HN 0.012 nan 8.230 nan 0.000 0.502 28 D N 1.937 122.273 120.400 -0.107 0.000 2.458 28 D HA 0.003 4.643 4.640 -0.000 0.000 0.243 28 D C -1.592 174.689 176.300 -0.032 0.000 1.146 28 D CA -1.329 52.640 54.000 -0.052 0.000 0.877 28 D CB 1.863 42.654 40.800 -0.014 0.000 1.176 28 D HN -0.101 nan 8.370 nan 0.000 0.461 29 P HA -0.150 nan 4.420 nan 0.000 0.217 29 P C 0.951 178.249 177.300 -0.003 0.000 1.148 29 P CA 1.001 64.090 63.100 -0.020 0.000 0.828 29 P CB 0.336 32.026 31.700 -0.016 0.000 0.783 30 E N -0.768 119.441 120.200 0.014 0.000 2.106 30 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 30 E C 2.057 178.701 176.600 0.073 0.000 0.984 30 E CA 0.942 57.365 56.400 0.038 0.000 0.806 30 E CB -0.837 28.891 29.700 0.045 0.000 0.750 30 E HN 0.144 nan 8.360 nan 0.000 0.458 31 V N 1.087 121.043 119.914 0.071 0.000 2.453 31 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 31 V C 2.307 178.407 176.094 0.010 0.000 1.048 31 V CA 0.935 63.281 62.300 0.077 0.000 1.049 31 V CB -0.332 31.501 31.823 0.016 0.000 0.672 31 V HN 0.144 nan 8.190 nan 0.000 0.457 32 L N 0.648 121.848 121.223 -0.039 0.000 2.191 32 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 32 L C 2.879 179.721 176.870 -0.047 0.000 1.103 32 L CA 2.371 57.151 54.840 -0.100 0.000 0.769 32 L CB -1.209 40.786 42.059 -0.107 0.000 0.908 32 L HN 0.405 nan 8.230 nan 0.000 0.438 33 R N -0.947 119.553 120.500 -0.000 0.000 2.090 33 R HA -0.022 4.318 4.340 -0.000 0.000 0.228 33 R C 2.202 178.535 176.300 0.054 0.000 1.110 33 R CA 1.637 57.750 56.100 0.022 0.000 0.973 33 R CB -1.667 28.647 30.300 0.024 0.000 0.869 33 R HN 0.254 nan 8.270 nan 0.000 0.440 34 V N 2.006 121.972 119.914 0.085 0.000 2.407 34 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 34 V C 1.782 177.967 176.094 0.151 0.000 1.055 34 V CA 1.952 64.337 62.300 0.142 0.000 1.049 34 V CB -0.503 31.463 31.823 0.239 0.000 0.662 34 V HN 0.582 nan 8.190 nan 0.000 0.455 35 N N 0.393 119.150 118.700 0.094 0.000 2.142 35 N HA -0.113 4.626 4.740 -0.000 0.000 0.186 35 N C 1.943 177.579 175.510 0.210 0.000 1.023 35 N CA 1.227 54.333 53.050 0.093 0.000 0.852 35 N CB -0.356 37.925 38.487 -0.343 0.000 0.998 35 N HN 0.464 nan 8.380 nan 0.000 0.424 36 R N 0.561 121.126 120.500 0.108 0.000 2.115 36 R HA 0.081 4.421 4.340 -0.000 0.000 0.230 36 R C 2.084 178.455 176.300 0.119 0.000 1.111 36 R CA 1.056 57.226 56.100 0.116 0.000 0.976 36 R CB -0.245 30.091 30.300 0.059 0.000 0.870 36 R HN 0.189 nan 8.270 nan 0.000 0.445 37 A N 1.403 124.288 122.820 0.109 0.000 1.898 37 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 37 A C 2.132 179.781 177.584 0.108 0.000 1.181 37 A CA 1.073 53.166 52.037 0.093 0.000 0.620 37 A CB -0.420 18.631 19.000 0.085 0.000 0.819 37 A HN 0.156 nan 8.150 nan 0.000 0.442 38 I N -0.463 120.203 120.570 0.158 0.000 2.208 38 I HA -0.345 3.825 4.170 -0.000 0.000 0.245 38 I C 2.816 179.007 176.117 0.124 0.000 1.097 38 I CA 1.669 63.062 61.300 0.154 0.000 1.363 38 I CB -0.430 37.720 38.000 0.249 0.000 1.051 38 I HN 0.465 nan 8.210 nan 0.000 0.413 39 Q N 0.176 120.080 119.800 0.174 0.000 2.084 39 Q HA -0.279 4.061 4.340 -0.000 0.000 0.202 39 Q C 2.134 178.183 176.000 0.081 0.000 0.978 39 Q CA 1.816 57.690 55.803 0.119 0.000 0.844 39 Q CB -0.204 28.630 28.738 0.160 0.000 0.898 39 Q HN 0.523 nan 8.270 nan 0.000 0.426 40 E N 0.777 121.023 120.200 0.077 0.000 2.038 40 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 40 E C 1.959 178.581 176.600 0.038 0.000 1.000 40 E CA 1.069 57.501 56.400 0.054 0.000 0.803 40 E CB 0.138 29.867 29.700 0.048 0.000 0.750 40 E HN 0.085 nan 8.360 nan 0.000 0.448 41 R N 0.413 120.930 120.500 0.030 0.000 2.073 41 R HA -0.041 4.299 4.340 -0.000 0.000 0.234 41 R C 2.460 178.743 176.300 -0.029 0.000 1.134 41 R CA 1.194 57.293 56.100 -0.001 0.000 0.952 41 R CB -0.663 29.633 30.300 -0.006 0.000 0.850 41 R HN 0.291 nan 8.270 nan 0.000 0.433 42 L N -0.402 120.811 121.223 -0.017 0.000 2.131 42 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 42 L C 2.284 179.200 176.870 0.076 0.000 1.092 42 L CA 1.268 56.085 54.840 -0.039 0.000 0.759 42 L CB -0.529 41.562 42.059 0.053 0.000 0.903 42 L HN 0.250 nan 8.230 nan 0.000 0.435 43 A N -0.132 122.748 122.820 0.100 0.000 2.015 43 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 43 A C 2.494 180.130 177.584 0.086 0.000 1.163 43 A CA 1.413 53.523 52.037 0.122 0.000 0.646 43 A CB -0.446 18.601 19.000 0.077 0.000 0.806 43 A HN 0.388 nan 8.150 nan 0.000 0.448 44 A N -0.418 122.423 122.820 0.035 0.000 1.968 44 A HA 0.105 4.425 4.320 -0.000 0.000 0.217 44 A C 2.088 179.674 177.584 0.003 0.000 1.169 44 A CA 1.280 53.328 52.037 0.017 0.000 0.638 44 A CB -0.376 18.623 19.000 -0.002 0.000 0.812 44 A HN 0.458 nan 8.150 nan 0.000 0.446 45 L N -2.593 118.593 121.223 -0.062 0.000 2.168 45 L HA 0.054 4.394 4.340 -0.000 0.000 0.203 45 L C 2.386 179.228 176.870 -0.046 0.000 1.078 45 L CA 0.794 55.550 54.840 -0.141 0.000 0.780 45 L CB -0.423 41.422 42.059 -0.356 0.000 0.939 45 L HN 0.397 nan 8.230 nan 0.000 0.451 46 F N 0.022 119.981 119.950 0.014 0.000 2.234 46 F HA -0.138 4.389 4.527 -0.000 0.000 0.296 46 F C 0.827 176.708 175.800 0.134 0.000 1.089 46 F CA 0.546 58.598 58.000 0.087 0.000 1.343 46 F CB 0.085 39.073 39.000 -0.021 0.000 1.040 46 F HN 0.118 nan 8.300 nan 0.000 0.498 47 D N -0.190 120.362 120.400 0.253 0.000 2.812 47 D HA -0.149 4.491 4.640 -0.000 0.000 0.237 47 D C -1.826 174.540 176.300 0.111 0.000 1.162 47 D CA 0.245 54.329 54.000 0.139 0.000 0.740 47 D CB -0.272 40.591 40.800 0.106 0.000 1.000 47 D HN 0.145 nan 8.370 nan 0.000 0.416 48 P HA 0.144 nan 4.420 nan 0.000 0.241 48 P C 0.860 178.156 177.300 -0.007 0.000 1.191 48 P CA 1.254 64.361 63.100 0.011 0.000 0.771 48 P CB 0.361 32.036 31.700 -0.040 0.000 0.929 49 G N -0.580 108.225 108.800 0.008 0.000 2.712 49 G HA2 0.063 4.023 3.960 -0.000 0.000 0.686 49 G HA3 0.063 4.023 3.960 -0.000 0.000 0.686 49 G C -0.287 174.611 174.900 -0.004 0.000 1.321 49 G CA -0.407 44.692 45.100 -0.001 0.000 0.813 49 G HN 0.482 nan 8.290 nan 0.000 0.599 50 E N -0.376 119.822 120.200 -0.003 0.000 2.415 50 E HA 0.587 4.937 4.350 -0.000 0.000 0.262 50 E C 2.203 178.798 176.600 -0.008 0.000 1.038 50 E CA 1.396 57.795 56.400 -0.003 0.000 0.921 50 E CB 0.399 30.098 29.700 -0.001 0.000 0.950 50 E HN 2.700 nan 8.360 nan 0.000 0.438 51 G N -0.220 108.577 108.800 -0.005 0.000 2.184 51 G HA2 0.075 4.035 3.960 -0.000 0.000 0.264 51 G HA3 0.075 4.035 3.960 -0.000 0.000 0.264 51 G C 0.819 175.710 174.900 -0.014 0.000 0.975 51 G CA 0.852 45.947 45.100 -0.008 0.000 0.642 51 G HN 2.035 nan 8.290 nan 0.000 0.536 52 A N -0.346 122.461 122.820 -0.021 0.000 2.425 52 A HA 0.650 4.970 4.320 -0.000 0.000 0.242 52 A C 0.328 177.893 177.584 -0.032 0.000 1.077 52 A CA 0.476 52.491 52.037 -0.037 0.000 0.781 52 A CB 0.671 19.640 19.000 -0.053 0.000 1.020 52 A HN 1.605 nan 8.150 nan 0.000 0.494 53 L N 2.919 124.118 121.223 -0.041 0.000 2.275 53 L HA 0.611 4.951 4.340 -0.000 0.000 0.288 53 L C -0.691 176.119 176.870 -0.101 0.000 1.046 53 L CA 0.090 54.908 54.840 -0.037 0.000 0.805 53 L CB 1.209 43.267 42.059 -0.002 0.000 1.193 53 L HN 0.358 nan 8.230 nan 0.000 0.426 54 V N 5.329 125.184 119.914 -0.099 0.000 2.540 54 V HA 0.998 5.118 4.120 -0.000 0.000 0.302 54 V C 0.013 175.932 176.094 -0.292 0.000 1.035 54 V CA 0.165 62.372 62.300 -0.156 0.000 0.873 54 V CB 0.902 32.695 31.823 -0.050 0.000 0.992 54 V HN 1.140 nan 8.190 nan 0.000 0.428 55 A N 3.610 126.119 122.820 -0.518 0.000 2.511 55 A HA 0.966 5.286 4.320 -0.000 0.000 0.293 55 A C -1.163 175.827 177.584 -0.991 0.000 1.098 55 A CA -0.137 51.152 52.037 -1.246 0.000 0.643 55 A CB 1.438 19.544 19.000 -1.490 0.000 1.302 55 A HN 1.740 nan 8.150 nan 0.000 0.446 56 A N 0.939 122.971 122.820 -1.313 0.000 2.483 56 A HA 0.622 4.942 4.320 -0.000 0.000 0.308 56 A C -0.467 177.049 177.584 -0.113 0.000 1.291 56 A CA -0.341 51.423 52.037 -0.456 0.000 0.774 56 A CB -0.234 18.600 19.000 -0.276 0.000 1.134 56 A HN 0.847 nan 8.150 nan 0.000 0.471 57 L N 1.633 122.818 121.223 -0.063 0.000 2.485 57 L HA 0.276 4.616 4.340 -0.000 0.000 0.275 57 L C 1.152 178.131 176.870 0.182 0.000 1.207 57 L CA -0.217 54.673 54.840 0.083 0.000 0.855 57 L CB 0.862 42.942 42.059 0.035 0.000 1.114 57 L HN 0.743 nan 8.230 nan 0.000 0.485 58 A N 2.949 125.932 122.820 0.272 0.000 2.797 58 A HA 0.590 4.910 4.320 -0.000 0.000 0.296 58 A C 0.557 178.304 177.584 0.272 0.000 1.580 58 A CA 0.528 52.751 52.037 0.310 0.000 1.277 58 A CB -0.799 18.451 19.000 0.416 0.000 1.101 58 A HN 0.921 nan 8.150 nan 0.000 0.562 59 G N 0.113 109.026 108.800 0.188 0.000 2.320 59 G HA2 0.492 4.452 3.960 -0.000 0.000 0.296 59 G HA3 0.492 4.452 3.960 -0.000 0.000 0.296 59 G C -0.244 174.716 174.900 0.101 0.000 1.306 59 G CA 0.011 45.200 45.100 0.148 0.000 0.836 59 G HN 1.272 nan 8.290 nan 0.000 0.517 60 S N -0.941 114.807 115.700 0.080 0.000 2.661 60 S HA 0.555 5.025 4.470 -0.000 0.000 0.265 60 S C 1.902 176.540 174.600 0.063 0.000 1.225 60 S CA 0.769 59.009 58.200 0.067 0.000 0.986 60 S CB 1.022 64.259 63.200 0.063 0.000 1.008 60 S HN 2.045 nan 8.310 nan 0.000 0.565 61 G N 0.529 109.375 108.800 0.077 0.000 2.475 61 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.220 61 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.220 61 G C 1.411 176.331 174.900 0.032 0.000 1.125 61 G CA 0.984 46.157 45.100 0.121 0.000 0.755 61 G HN 0.692 nan 8.290 nan 0.000 0.565 62 S N 0.090 115.820 115.700 0.051 0.000 2.399 62 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 62 S C 2.127 176.697 174.600 -0.050 0.000 1.022 62 S CA 1.053 59.270 58.200 0.027 0.000 0.983 62 S CB -0.215 63.038 63.200 0.088 0.000 0.803 62 S HN 0.283 nan 8.310 nan 0.000 0.480 63 L N 2.146 123.357 121.223 -0.019 0.000 2.046 63 L HA 0.046 4.386 4.340 -0.000 0.000 0.208 63 L C 2.253 179.065 176.870 -0.097 0.000 1.077 63 L CA 1.982 56.820 54.840 -0.003 0.000 0.747 63 L CB -1.342 40.761 42.059 0.074 0.000 0.896 63 L HN 0.293 nan 8.230 nan 0.000 0.432 64 G N -0.787 107.900 108.800 -0.188 0.000 2.422 64 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.218 64 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.218 64 G C 1.639 176.122 174.900 -0.694 0.000 1.146 64 G CA 0.966 45.884 45.100 -0.304 0.000 0.769 64 G HN 0.470 nan 8.290 nan 0.000 0.547 65 M N 0.137 119.071 119.600 -1.110 0.000 2.067 65 M HA -0.018 4.462 4.480 -0.000 0.000 0.260 65 M C 2.465 178.707 176.300 -0.097 0.000 1.069 65 M CA 2.209 57.011 55.300 -0.829 0.000 1.117 65 M CB -0.186 32.230 32.600 -0.307 0.000 1.334 65 M HN 0.343 nan 8.290 nan 0.000 0.407 66 E N -0.149 119.997 120.200 -0.090 0.000 2.150 66 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 66 E C 1.743 178.267 176.600 -0.127 0.000 0.985 66 E CA 1.082 57.470 56.400 -0.019 0.000 0.814 66 E CB -0.076 29.656 29.700 0.053 0.000 0.752 66 E HN 0.645 nan 8.360 nan 0.000 0.466 67 A N 0.560 123.286 122.820 -0.155 0.000 1.972 67 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 67 A C 2.293 179.548 177.584 -0.548 0.000 1.169 67 A CA 1.513 53.403 52.037 -0.244 0.000 0.635 67 A CB -0.821 18.120 19.000 -0.099 0.000 0.810 67 A HN 0.407 nan 8.150 nan 0.000 0.446 68 G N -1.317 107.081 108.800 -0.670 0.000 2.813 68 G HA2 0.227 4.187 3.960 -0.000 0.000 0.209 68 G HA3 0.227 4.187 3.960 -0.000 0.000 0.209 68 G C 1.263 175.879 174.900 -0.472 0.000 1.150 68 G CA 0.687 45.073 45.100 -1.190 0.000 0.785 68 G HN 0.431 nan 8.290 nan 0.000 0.535 69 L N -0.551 120.459 121.223 -0.355 0.000 2.515 69 L HA 0.294 4.634 4.340 -0.000 0.000 0.202 69 L C 3.017 179.644 176.870 -0.404 0.000 1.056 69 L CA 0.706 55.376 54.840 -0.284 0.000 0.847 69 L CB -0.255 41.701 42.059 -0.172 0.000 1.131 69 L HN 0.114 nan 8.230 nan 0.000 0.484 70 A N 0.646 123.113 122.820 -0.587 0.000 2.070 70 A HA -0.176 4.143 4.320 -0.000 0.000 0.220 70 A C 1.650 178.912 177.584 -0.535 0.000 1.159 70 A CA 1.936 53.450 52.037 -0.872 0.000 0.656 70 A CB -0.663 17.810 19.000 -0.879 0.000 0.800 70 A HN 0.482 nan 8.150 nan 0.000 0.453 71 N N -1.115 117.233 118.700 -0.586 0.000 2.353 71 N HA 0.160 4.900 4.740 -0.000 0.000 0.185 71 N C 0.004 175.287 175.510 -0.379 0.000 1.098 71 N CA -0.155 52.560 53.050 -0.558 0.000 0.872 71 N CB 0.018 37.985 38.487 -0.868 0.000 0.970 71 N HN 0.416 nan 8.380 nan 0.000 0.467 72 L N 1.795 122.851 121.223 -0.278 0.000 2.410 72 L HA 0.075 4.414 4.340 -0.000 0.000 0.273 72 L C 0.824 177.722 176.870 0.047 0.000 1.144 72 L CA -0.170 54.717 54.840 0.077 0.000 0.863 72 L CB 0.554 42.672 42.059 0.098 0.000 1.140 72 L HN 0.187 nan 8.230 nan 0.000 0.463 73 D N 3.456 123.917 120.400 0.103 0.000 2.104 73 D HA -0.168 4.472 4.640 -0.000 0.000 0.194 73 D C 0.305 176.629 176.300 0.040 0.000 0.994 73 D CA 1.713 55.746 54.000 0.056 0.000 0.830 73 D CB -0.057 40.779 40.800 0.060 0.000 0.959 73 D HN 0.649 nan 8.370 nan 0.000 0.452 74 R N -2.375 118.156 120.500 0.052 0.000 2.716 74 R HA 0.659 4.999 4.340 -0.000 0.000 0.271 74 R C 0.013 176.347 176.300 0.057 0.000 1.028 74 R CA -0.830 55.296 56.100 0.044 0.000 0.883 74 R CB 0.922 31.243 30.300 0.035 0.000 1.250 74 R HN 0.042 nan 8.270 nan 0.000 0.465 75 G N 0.310 109.143 108.800 0.054 0.000 2.641 75 G HA2 0.606 4.566 3.960 -0.000 0.000 0.239 75 G HA3 0.606 4.566 3.960 -0.000 0.000 0.239 75 G C -2.289 172.651 174.900 0.068 0.000 1.402 75 G CA -1.391 43.754 45.100 0.076 0.000 1.046 75 G HN 0.565 nan 8.290 nan 0.000 0.565 76 P HA 0.373 nan 4.420 nan 0.000 0.276 76 P C -0.991 176.492 177.300 0.306 0.000 1.252 76 P CA -0.259 62.942 63.100 0.167 0.000 0.802 76 P CB 1.792 33.571 31.700 0.131 0.000 1.035 77 V N 2.657 122.722 119.914 0.251 0.000 2.444 77 V HA 0.172 4.292 4.120 -0.000 0.000 0.294 77 V C 0.192 176.269 176.094 -0.028 0.000 1.022 77 V CA -0.806 61.576 62.300 0.136 0.000 0.850 77 V CB 1.409 33.250 31.823 0.030 0.000 0.992 77 V HN 0.407 nan 8.190 nan 0.000 0.426 78 L N 7.305 128.326 121.223 -0.337 0.000 2.295 78 L HA 0.463 4.803 4.340 -0.000 0.000 0.288 78 L C -0.244 176.508 176.870 -0.196 0.000 1.079 78 L CA 0.474 54.968 54.840 -0.577 0.000 0.830 78 L CB 1.000 42.423 42.059 -1.060 0.000 1.200 78 L HN 0.466 nan 8.230 nan 0.000 0.438 79 V N 6.952 126.809 119.914 -0.095 0.000 2.333 79 V HA 0.273 4.393 4.120 -0.000 0.000 0.274 79 V C 0.316 176.444 176.094 0.058 0.000 1.028 79 V CA -0.645 61.652 62.300 -0.005 0.000 0.851 79 V CB 1.061 32.884 31.823 -0.000 0.000 1.000 79 V HN 0.538 nan 8.190 nan 0.000 0.456 80 L N 6.049 127.339 121.223 0.112 0.000 2.325 80 L HA 0.403 4.743 4.340 -0.000 0.000 0.284 80 L C -0.336 176.660 176.870 0.211 0.000 1.089 80 L CA -0.165 54.794 54.840 0.199 0.000 0.836 80 L CB 0.755 42.908 42.059 0.157 0.000 1.184 80 L HN 0.357 nan 8.230 nan 0.000 0.444 81 V N 3.538 123.611 119.914 0.265 0.000 2.459 81 V HA 0.312 4.432 4.120 -0.000 0.000 0.295 81 V C 0.332 176.596 176.094 0.284 0.000 1.029 81 V CA -0.452 61.980 62.300 0.220 0.000 0.874 81 V CB 1.614 33.520 31.823 0.139 0.000 0.985 81 V HN 0.998 nan 8.190 nan 0.000 0.438 82 N N 2.432 121.262 118.700 0.217 0.000 2.330 82 N HA 0.459 5.199 4.740 -0.000 0.000 0.249 82 N C -0.108 175.505 175.510 0.172 0.000 1.413 82 N CA -0.039 53.139 53.050 0.213 0.000 0.817 82 N CB 1.166 39.781 38.487 0.213 0.000 1.362 82 N HN 0.839 nan 8.380 nan 0.000 0.499 83 G N -0.998 107.891 108.800 0.148 0.000 2.441 83 G HA2 0.527 4.487 3.960 -0.000 0.000 0.294 83 G HA3 0.527 4.487 3.960 -0.000 0.000 0.294 83 G C 0.127 175.063 174.900 0.059 0.000 1.393 83 G CA -0.218 44.960 45.100 0.129 0.000 0.796 83 G HN 0.152 nan 8.290 nan 0.000 0.494 84 A N -0.807 121.995 122.820 -0.030 0.000 1.898 84 A HA 0.223 4.543 4.320 -0.000 0.000 0.216 84 A C 1.949 179.331 177.584 -0.338 0.000 1.181 84 A CA 1.902 53.792 52.037 -0.244 0.000 0.620 84 A CB -0.537 18.194 19.000 -0.449 0.000 0.819 84 A HN 0.587 nan 8.150 nan 0.000 0.442 85 F N 1.036 121.046 119.950 0.099 0.000 2.367 85 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 85 F C 2.761 178.650 175.800 0.147 0.000 1.094 85 F CA 1.220 59.295 58.000 0.125 0.000 1.409 85 F CB -0.127 38.956 39.000 0.139 0.000 1.064 85 F HN 0.295 nan 8.300 nan 0.000 0.528 86 S N -0.481 115.371 115.700 0.252 0.000 2.428 86 S HA -0.178 4.292 4.470 -0.000 0.000 0.230 86 S C 1.770 176.451 174.600 0.135 0.000 1.014 86 S CA 0.685 59.011 58.200 0.211 0.000 0.957 86 S CB -0.563 62.750 63.200 0.189 0.000 0.784 86 S HN 0.457 nan 8.310 nan 0.000 0.499 87 Q N 0.973 120.822 119.800 0.082 0.000 2.119 87 Q HA -0.020 4.320 4.340 -0.000 0.000 0.201 87 Q C 2.411 178.428 176.000 0.029 0.000 0.972 87 Q CA 1.186 57.010 55.803 0.035 0.000 0.847 87 Q CB -0.193 28.540 28.738 -0.008 0.000 0.903 87 Q HN 0.636 nan 8.270 nan 0.000 0.433 88 R N 0.337 120.862 120.500 0.041 0.000 2.092 88 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 88 R C 2.022 178.377 176.300 0.091 0.000 1.119 88 R CA 0.994 57.131 56.100 0.062 0.000 0.970 88 R CB -0.053 30.317 30.300 0.117 0.000 0.864 88 R HN 0.067 nan 8.270 nan 0.000 0.440 89 V N 1.176 121.170 119.914 0.133 0.000 2.343 89 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 89 V C 2.507 178.606 176.094 0.009 0.000 1.051 89 V CA 1.966 64.320 62.300 0.091 0.000 1.036 89 V CB -0.759 31.138 31.823 0.124 0.000 0.654 89 V HN 0.566 nan 8.190 nan 0.000 0.451 90 A N -0.033 122.800 122.820 0.022 0.000 1.902 90 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 90 A C 2.347 179.928 177.584 -0.006 0.000 1.181 90 A CA 2.198 54.237 52.037 0.003 0.000 0.623 90 A CB -0.794 18.216 19.000 0.016 0.000 0.818 90 A HN 0.613 nan 8.150 nan 0.000 0.443 91 E N -0.311 119.887 120.200 -0.003 0.000 2.110 91 E HA -0.169 4.180 4.350 -0.000 0.000 0.193 91 E C 1.922 178.498 176.600 -0.041 0.000 0.988 91 E CA 1.700 58.088 56.400 -0.020 0.000 0.804 91 E CB -0.775 28.914 29.700 -0.018 0.000 0.745 91 E HN 0.754 nan 8.360 nan 0.000 0.458 92 M N -0.198 119.387 119.600 -0.025 0.000 2.156 92 M HA 0.082 4.562 4.480 -0.000 0.000 0.264 92 M C 2.899 179.189 176.300 -0.017 0.000 1.067 92 M CA 1.310 56.588 55.300 -0.037 0.000 1.131 92 M CB -0.070 32.553 32.600 0.037 0.000 1.368 92 M HN 0.428 nan 8.290 nan 0.000 0.416 93 A N 0.692 123.509 122.820 -0.005 0.000 1.908 93 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 93 A C 2.378 179.968 177.584 0.009 0.000 1.181 93 A CA 2.082 54.123 52.037 0.007 0.000 0.627 93 A CB -0.946 18.034 19.000 -0.032 0.000 0.818 93 A HN 0.496 nan 8.150 nan 0.000 0.445 94 A N -0.506 122.303 122.820 -0.018 0.000 1.858 94 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 94 A C 2.125 179.679 177.584 -0.049 0.000 1.190 94 A CA 1.722 53.746 52.037 -0.021 0.000 0.617 94 A CB -0.773 18.213 19.000 -0.024 0.000 0.827 94 A HN 0.706 nan 8.150 nan 0.000 0.443 95 L N -0.378 120.776 121.223 -0.115 0.000 2.021 95 L HA -0.216 4.124 4.340 -0.000 0.000 0.215 95 L C 1.932 178.679 176.870 -0.204 0.000 1.074 95 L CA 2.143 56.863 54.840 -0.200 0.000 0.760 95 L CB -0.786 41.073 42.059 -0.334 0.000 0.889 95 L HN 0.544 nan 8.230 nan 0.000 0.433 96 H N 0.029 119.085 119.070 -0.023 0.000 2.547 96 H HA 0.257 4.813 4.556 -0.000 0.000 0.274 96 H C 1.388 176.705 175.328 -0.018 0.000 1.024 96 H CA 0.428 56.460 56.048 -0.026 0.000 1.155 96 H CB -0.691 29.044 29.762 -0.045 0.000 1.344 96 H HN 0.480 nan 8.280 nan 0.000 0.598 97 G N 1.446 110.284 108.800 0.064 0.000 2.323 97 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.292 97 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.292 97 G C 0.761 175.691 174.900 0.051 0.000 1.040 97 G CA 0.282 45.409 45.100 0.046 0.000 0.942 97 G HN 0.479 nan 8.290 nan 0.000 0.506 98 L N -0.696 120.561 121.223 0.056 0.000 2.685 98 L HA 0.223 4.563 4.340 -0.000 0.000 0.233 98 L C 0.786 177.689 176.870 0.055 0.000 1.173 98 L CA -0.007 54.864 54.840 0.052 0.000 0.961 98 L CB -0.071 42.014 42.059 0.044 0.000 1.217 98 L HN 0.260 nan 8.230 nan 0.000 0.478 99 D N 0.631 121.060 120.400 0.048 0.000 2.802 99 D HA -0.138 4.502 4.640 -0.000 0.000 0.229 99 D C -2.205 174.142 176.300 0.078 0.000 1.203 99 D CA 0.169 54.203 54.000 0.055 0.000 0.712 99 D CB -0.262 40.572 40.800 0.056 0.000 0.973 99 D HN 0.226 nan 8.370 nan 0.000 0.407 100 P HA 0.130 nan 4.420 nan 0.000 0.271 100 P C -0.338 177.002 177.300 0.068 0.000 1.216 100 P CA 0.104 63.236 63.100 0.052 0.000 0.776 100 P CB 1.146 32.857 31.700 0.017 0.000 0.881 101 E N 2.623 122.866 120.200 0.072 0.000 2.182 101 E HA 0.326 4.676 4.350 -0.000 0.000 0.258 101 E C -1.300 175.302 176.600 0.003 0.000 0.879 101 E CA -0.905 55.541 56.400 0.076 0.000 0.754 101 E CB 0.794 30.612 29.700 0.197 0.000 1.162 101 E HN 0.058 nan 8.360 nan 0.000 0.419 102 V N 5.167 125.088 119.914 0.012 0.000 2.546 102 V HA 0.318 4.437 4.120 -0.000 0.000 0.284 102 V C -0.386 175.706 176.094 -0.005 0.000 1.050 102 V CA -0.732 61.572 62.300 0.007 0.000 0.981 102 V CB 1.192 33.023 31.823 0.013 0.000 0.990 102 V HN 0.636 nan 8.190 nan 0.000 0.474 103 L N 5.046 126.276 121.223 0.011 0.000 2.324 103 L HA 0.552 4.892 4.340 -0.000 0.000 0.274 103 L C -0.282 176.540 176.870 -0.081 0.000 1.012 103 L CA -0.020 54.795 54.840 -0.042 0.000 0.859 103 L CB 0.983 43.068 42.059 0.044 0.000 1.224 103 L HN 0.554 nan 8.230 nan 0.000 0.429 104 D N 3.880 124.160 120.400 -0.201 0.000 2.341 104 D HA 0.344 4.984 4.640 -0.000 0.000 0.245 104 D C -0.905 175.097 176.300 -0.498 0.000 1.106 104 D CA 0.668 54.566 54.000 -0.169 0.000 0.905 104 D CB 0.954 41.696 40.800 -0.096 0.000 1.202 104 D HN 0.237 nan 8.370 nan 0.000 0.426 105 F N 0.627 120.597 119.950 0.033 0.000 2.578 105 F HA 0.305 4.831 4.527 -0.000 0.000 0.311 105 F C -2.053 173.771 175.800 0.039 0.000 1.094 105 F CA -2.176 55.844 58.000 0.033 0.000 0.923 105 F CB 1.788 40.810 39.000 0.038 0.000 1.230 105 F HN -0.008 nan 8.300 nan 0.000 0.450 106 P HA 0.122 nan 4.420 nan 0.000 0.264 106 P C -2.600 174.783 177.300 0.138 0.000 1.193 106 P CA -0.815 62.357 63.100 0.121 0.000 0.763 106 P CB 0.059 31.807 31.700 0.080 0.000 0.810 107 P HA 0.070 nan 4.420 nan 0.000 0.264 107 P C 1.023 178.409 177.300 0.144 0.000 1.193 107 P CA 1.242 64.462 63.100 0.200 0.000 0.763 107 P CB 0.232 32.078 31.700 0.243 0.000 0.810 108 G N 1.856 110.740 108.800 0.140 0.000 2.213 108 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.226 108 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.226 108 G C -0.042 174.823 174.900 -0.059 0.000 0.992 108 G CA -0.330 44.693 45.100 -0.127 0.000 0.632 108 G HN 0.540 nan 8.290 nan 0.000 0.511 109 E N 1.557 121.771 120.200 0.024 0.000 2.212 109 E HA 0.497 4.847 4.350 -0.000 0.000 0.268 109 E C -2.496 174.131 176.600 0.044 0.000 0.902 109 E CA -2.043 54.378 56.400 0.035 0.000 0.779 109 E CB 2.716 32.457 29.700 0.069 0.000 1.172 109 E HN 0.176 nan 8.360 nan 0.000 0.409 110 P HA 0.067 nan 4.420 nan 0.000 0.276 110 P C -0.167 177.021 177.300 -0.186 0.000 1.244 110 P CA -0.391 62.678 63.100 -0.051 0.000 0.801 110 P CB 0.852 32.528 31.700 -0.041 0.000 1.006 111 V N 2.144 121.842 119.914 -0.359 0.000 2.763 111 V HA -0.028 4.092 4.120 -0.000 0.000 0.306 111 V C 0.923 176.649 176.094 -0.614 0.000 1.059 111 V CA 0.754 62.494 62.300 -0.933 0.000 1.138 111 V CB -0.127 31.259 31.823 -0.728 0.000 0.940 111 V HN 0.595 nan 8.190 nan 0.000 0.489 112 D N 5.790 125.792 120.400 -0.665 0.000 2.373 112 D HA 0.308 4.948 4.640 -0.000 0.000 0.227 112 D C -1.679 174.585 176.300 -0.061 0.000 1.091 112 D CA -2.070 51.852 54.000 -0.130 0.000 0.840 112 D CB 2.093 42.974 40.800 0.135 0.000 1.060 112 D HN 0.192 nan 8.370 nan 0.000 0.502 113 P HA -0.155 nan 4.420 nan 0.000 0.217 113 P C 0.852 178.156 177.300 0.006 0.000 1.151 113 P CA 1.191 64.266 63.100 -0.043 0.000 0.849 113 P CB 0.432 32.100 31.700 -0.053 0.000 0.787 114 E N -0.916 119.300 120.200 0.026 0.000 2.153 114 E HA -0.127 4.222 4.350 -0.000 0.000 0.194 114 E C 2.059 178.703 176.600 0.073 0.000 0.988 114 E CA 1.098 57.522 56.400 0.040 0.000 0.811 114 E CB -0.442 29.280 29.700 0.037 0.000 0.746 114 E HN 0.176 nan 8.360 nan 0.000 0.466 115 A N 0.476 123.376 122.820 0.134 0.000 1.929 115 A HA -0.089 4.230 4.320 -0.000 0.000 0.216 115 A C 2.394 180.076 177.584 0.165 0.000 1.176 115 A CA 0.764 52.906 52.037 0.174 0.000 0.628 115 A CB -0.318 18.874 19.000 0.320 0.000 0.816 115 A HN 0.109 nan 8.150 nan 0.000 0.444 116 V N 0.025 120.038 119.914 0.164 0.000 2.358 116 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 116 V C 3.045 179.175 176.094 0.060 0.000 1.047 116 V CA 1.800 64.164 62.300 0.107 0.000 1.035 116 V CB -1.276 30.573 31.823 0.043 0.000 0.658 116 V HN 0.587 nan 8.190 nan 0.000 0.452 117 A N 0.113 122.958 122.820 0.041 0.000 1.908 117 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 117 A C 2.401 180.012 177.584 0.044 0.000 1.181 117 A CA 1.982 54.035 52.037 0.028 0.000 0.627 117 A CB -0.484 18.524 19.000 0.014 0.000 0.818 117 A HN 0.527 nan 8.150 nan 0.000 0.445 118 R N -0.731 119.800 120.500 0.052 0.000 2.066 118 R HA -0.033 4.307 4.340 -0.000 0.000 0.232 118 R C 2.560 178.901 176.300 0.070 0.000 1.131 118 R CA 1.143 57.274 56.100 0.052 0.000 0.955 118 R CB -0.517 29.810 30.300 0.045 0.000 0.851 118 R HN 0.506 nan 8.270 nan 0.000 0.432 119 A N 1.519 124.390 122.820 0.085 0.000 1.908 119 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 119 A C 2.146 179.847 177.584 0.196 0.000 1.181 119 A CA 1.264 53.374 52.037 0.121 0.000 0.627 119 A CB -0.641 18.413 19.000 0.091 0.000 0.818 119 A HN 0.201 nan 8.150 nan 0.000 0.445 120 L N -1.093 120.226 121.223 0.160 0.000 2.450 120 L HA -0.141 4.199 4.340 -0.000 0.000 0.224 120 L C 2.824 179.775 176.870 0.135 0.000 1.149 120 L CA 1.327 56.288 54.840 0.201 0.000 0.816 120 L CB -0.352 41.777 42.059 0.117 0.000 0.932 120 L HN 0.541 nan 8.230 nan 0.000 0.449 121 K N -0.038 120.419 120.400 0.094 0.000 2.353 121 K HA 0.232 4.552 4.320 -0.000 0.000 0.195 121 K C 2.191 178.817 176.600 0.043 0.000 1.031 121 K CA 0.702 57.021 56.287 0.053 0.000 1.079 121 K CB -0.594 31.928 32.500 0.037 0.000 0.857 121 K HN 0.381 nan 8.250 nan 0.000 0.535 122 R N 0.626 121.167 120.500 0.068 0.000 2.173 122 R HA 0.315 4.655 4.340 -0.000 0.000 0.208 122 R C 1.419 177.719 176.300 -0.000 0.000 1.035 122 R CA 1.183 57.311 56.100 0.046 0.000 1.004 122 R CB -0.152 30.194 30.300 0.076 0.000 0.917 122 R HN 0.584 nan 8.270 nan 0.000 0.462 123 R N -2.701 117.779 120.500 -0.033 0.000 2.692 123 R HA 0.586 4.926 4.340 -0.000 0.000 0.269 123 R C -1.508 174.587 176.300 -0.341 0.000 1.030 123 R CA -0.059 55.900 56.100 -0.237 0.000 0.882 123 R CB 1.214 31.264 30.300 -0.415 0.000 1.250 123 R HN 0.375 nan 8.270 nan 0.000 0.465 124 R N 2.301 122.592 120.500 -0.348 0.000 2.196 124 R HA 0.368 4.708 4.340 -0.000 0.000 0.340 124 R C -1.477 174.610 176.300 -0.355 0.000 1.043 124 R CA -0.074 55.886 56.100 -0.233 0.000 0.883 124 R CB -0.170 30.058 30.300 -0.120 0.000 1.078 124 R HN 0.437 nan 8.270 nan 0.000 0.462 125 Y N 1.007 121.322 120.300 0.024 0.000 2.334 125 Y HA 0.366 4.916 4.550 -0.000 0.000 0.328 125 Y C 1.557 177.479 175.900 0.037 0.000 1.130 125 Y CA -0.900 57.220 58.100 0.032 0.000 1.163 125 Y CB 2.128 40.613 38.460 0.042 0.000 1.207 125 Y HN 0.681 nan 8.280 nan 0.000 0.471 126 R N 1.629 122.246 120.500 0.195 0.000 2.119 126 R HA 0.128 4.468 4.340 -0.000 0.000 0.222 126 R C -0.296 176.097 176.300 0.155 0.000 1.088 126 R CA 1.183 57.362 56.100 0.132 0.000 0.984 126 R CB 0.191 30.554 30.300 0.105 0.000 0.884 126 R HN 0.790 nan 8.270 nan 0.000 0.447 127 M N -0.473 119.243 119.600 0.192 0.000 2.520 127 M HA 0.375 4.855 4.480 -0.000 0.000 0.280 127 M C -1.734 174.658 176.300 0.154 0.000 1.232 127 M CA -0.931 54.477 55.300 0.180 0.000 0.892 127 M CB 2.322 35.021 32.600 0.164 0.000 1.728 127 M HN -0.213 nan 8.290 nan 0.000 0.475 128 V N 2.857 122.889 119.914 0.197 0.000 2.487 128 V HA 0.842 4.962 4.120 -0.000 0.000 0.298 128 V C -0.349 175.928 176.094 0.305 0.000 1.028 128 V CA -0.656 61.744 62.300 0.167 0.000 0.860 128 V CB 1.328 33.245 31.823 0.158 0.000 0.991 128 V HN 0.890 nan 8.190 nan 0.000 0.427 129 A N 5.262 128.197 122.820 0.193 0.000 2.318 129 A HA 0.950 5.270 4.320 -0.000 0.000 0.324 129 A C -1.150 176.604 177.584 0.284 0.000 1.170 129 A CA -0.468 51.722 52.037 0.255 0.000 0.810 129 A CB 1.353 20.330 19.000 -0.038 0.000 1.198 129 A HN 0.863 nan 8.150 nan 0.000 0.484 130 L N 2.475 123.904 121.223 0.342 0.000 2.424 130 L HA 0.717 5.057 4.340 -0.000 0.000 0.258 130 L C -1.303 175.692 176.870 0.208 0.000 0.995 130 L CA -0.431 54.564 54.840 0.258 0.000 0.821 130 L CB 2.440 44.685 42.059 0.309 0.000 1.383 130 L HN 0.416 nan 8.230 nan 0.000 0.410 131 V N 4.443 124.469 119.914 0.186 0.000 2.347 131 V HA 0.236 4.356 4.120 -0.000 0.000 0.280 131 V C 0.917 177.109 176.094 0.164 0.000 1.021 131 V CA -0.411 61.986 62.300 0.161 0.000 0.847 131 V CB 0.715 32.657 31.823 0.198 0.000 0.990 131 V HN 0.917 nan 8.190 nan 0.000 0.444 132 H N 4.602 123.680 119.070 0.013 0.000 2.265 132 H HA -0.064 4.491 4.556 -0.000 0.000 0.295 132 H C 1.176 176.521 175.328 0.028 0.000 1.084 132 H CA 1.725 57.793 56.048 0.033 0.000 1.261 132 H CB 0.164 29.958 29.762 0.053 0.000 1.360 132 H HN 0.657 nan 8.280 nan 0.000 0.487 133 G N 0.349 109.200 108.800 0.085 0.000 2.605 133 G HA2 0.309 4.269 3.960 -0.000 0.000 0.304 133 G HA3 0.309 4.269 3.960 -0.000 0.000 0.304 133 G C -1.169 173.761 174.900 0.049 0.000 1.333 133 G CA -0.532 44.570 45.100 0.004 0.000 0.973 133 G HN 0.214 nan 8.290 nan 0.000 0.507 134 E N 2.152 122.413 120.200 0.101 0.000 2.003 134 E HA 0.243 4.593 4.350 -0.000 0.000 0.279 134 E C 1.466 178.165 176.600 0.164 0.000 1.132 134 E CA -0.220 56.279 56.400 0.165 0.000 0.888 134 E CB 0.387 30.197 29.700 0.184 0.000 1.056 134 E HN 0.324 nan 8.360 nan 0.000 0.399 135 T N 1.678 116.328 114.554 0.159 0.000 2.803 135 T HA -0.207 4.143 4.350 -0.000 0.000 0.269 135 T C 1.666 176.489 174.700 0.205 0.000 1.052 135 T CA 1.551 63.730 62.100 0.133 0.000 1.136 135 T CB -0.201 68.679 68.868 0.020 0.000 0.864 135 T HN 0.537 nan 8.240 nan 0.000 0.467 136 S N 1.637 117.516 115.700 0.297 0.000 2.453 136 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 136 S C 2.027 176.682 174.600 0.092 0.000 1.005 136 S CA 1.276 59.585 58.200 0.181 0.000 0.949 136 S CB -0.649 62.627 63.200 0.128 0.000 0.774 136 S HN 0.696 nan 8.310 nan 0.000 0.510 137 T N -4.008 110.647 114.554 0.168 0.000 2.975 137 T HA 0.521 4.871 4.350 -0.000 0.000 0.257 137 T C 1.383 176.267 174.700 0.306 0.000 1.003 137 T CA 0.504 62.766 62.100 0.270 0.000 0.932 137 T CB 0.016 69.104 68.868 0.368 0.000 1.087 137 T HN 1.205 nan 8.240 nan 0.000 0.512 138 G N 1.188 110.107 108.800 0.199 0.000 2.198 138 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.257 138 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.257 138 G C -0.121 174.872 174.900 0.154 0.000 1.042 138 G CA 0.099 45.307 45.100 0.180 0.000 0.791 138 G HN 0.777 nan 8.290 nan 0.000 0.502 139 V N 0.408 120.401 119.914 0.132 0.000 2.513 139 V HA 0.697 4.817 4.120 -0.000 0.000 0.299 139 V C 0.243 176.370 176.094 0.055 0.000 1.035 139 V CA -1.057 61.295 62.300 0.087 0.000 0.889 139 V CB 1.837 33.718 31.823 0.095 0.000 0.988 139 V HN 0.428 nan 8.190 nan 0.000 0.440 140 L N 5.365 126.602 121.223 0.023 0.000 2.257 140 L HA 0.553 4.893 4.340 -0.000 0.000 0.290 140 L C 0.001 176.902 176.870 0.052 0.000 1.044 140 L CA 0.184 55.036 54.840 0.019 0.000 0.810 140 L CB 0.774 42.817 42.059 -0.028 0.000 1.193 140 L HN 0.575 nan 8.230 nan 0.000 0.425 141 N N 6.199 124.963 118.700 0.107 0.000 2.524 141 N HA 0.386 5.125 4.740 -0.000 0.000 0.283 141 N C -2.381 173.185 175.510 0.094 0.000 1.142 141 N CA -1.516 51.579 53.050 0.074 0.000 0.984 141 N CB 1.000 39.528 38.487 0.069 0.000 1.155 141 N HN 0.447 nan 8.380 nan 0.000 0.467 142 P HA 0.089 nan 4.420 nan 0.000 0.235 142 P C 0.209 177.503 177.300 -0.010 0.000 1.765 142 P CA -0.039 63.062 63.100 0.002 0.000 1.034 142 P CB -0.311 31.367 31.700 -0.038 0.000 1.984 143 A N 2.541 125.353 122.820 -0.012 0.000 1.892 143 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 143 A C 2.302 179.877 177.584 -0.016 0.000 1.188 143 A CA 1.943 53.963 52.037 -0.027 0.000 0.631 143 A CB -1.132 17.608 19.000 -0.433 0.000 0.822 143 A HN 0.415 nan 8.150 nan 0.000 0.447 144 E N -0.270 119.881 120.200 -0.081 0.000 2.058 144 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 144 E C 2.159 178.688 176.600 -0.118 0.000 0.997 144 E CA 1.310 57.655 56.400 -0.091 0.000 0.801 144 E CB -0.332 29.320 29.700 -0.081 0.000 0.746 144 E HN 0.533 nan 8.360 nan 0.000 0.450 145 A N 1.017 123.775 122.820 -0.102 0.000 1.883 145 A HA -0.194 4.125 4.320 -0.000 0.000 0.217 145 A C 2.216 179.692 177.584 -0.179 0.000 1.186 145 A CA 1.716 53.684 52.037 -0.114 0.000 0.624 145 A CB -0.766 18.185 19.000 -0.082 0.000 0.822 145 A HN 0.383 nan 8.150 nan 0.000 0.444 146 I N -0.244 120.196 120.570 -0.216 0.000 2.361 146 I HA -0.187 3.982 4.170 -0.000 0.000 0.251 146 I C 2.578 178.272 176.117 -0.704 0.000 1.133 146 I CA 0.989 62.084 61.300 -0.341 0.000 1.413 146 I CB -0.426 37.438 38.000 -0.227 0.000 1.073 146 I HN 0.407 nan 8.210 nan 0.000 0.424 147 G N 0.340 108.626 108.800 -0.856 0.000 2.408 147 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.217 147 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.217 147 G C 1.868 176.504 174.900 -0.439 0.000 1.150 147 G CA 0.692 45.186 45.100 -1.011 0.000 0.776 147 G HN 0.473 nan 8.290 nan 0.000 0.542 148 A N 0.538 123.191 122.820 -0.278 0.000 1.933 148 A HA 0.127 4.447 4.320 -0.000 0.000 0.218 148 A C 2.394 179.884 177.584 -0.155 0.000 1.175 148 A CA 1.083 53.020 52.037 -0.166 0.000 0.628 148 A CB -0.317 18.610 19.000 -0.120 0.000 0.814 148 A HN 0.359 nan 8.150 nan 0.000 0.444 149 L N -1.027 120.082 121.223 -0.189 0.000 2.109 149 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 149 L C 3.086 179.878 176.870 -0.130 0.000 1.086 149 L CA 0.885 55.644 54.840 -0.136 0.000 0.760 149 L CB -0.568 41.414 42.059 -0.128 0.000 0.910 149 L HN 0.430 nan 8.230 nan 0.000 0.437 150 A N 0.792 123.480 122.820 -0.219 0.000 1.877 150 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 150 A C 2.671 180.215 177.584 -0.067 0.000 1.186 150 A CA 2.456 54.404 52.037 -0.147 0.000 0.620 150 A CB -0.758 18.091 19.000 -0.252 0.000 0.822 150 A HN 0.331 nan 8.150 nan 0.000 0.443 151 K N 0.169 120.517 120.400 -0.087 0.000 2.103 151 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 151 K C 1.771 178.353 176.600 -0.029 0.000 1.048 151 K CA 1.898 58.160 56.287 -0.042 0.000 0.930 151 K CB -0.871 31.599 32.500 -0.049 0.000 0.716 151 K HN 0.771 nan 8.250 nan 0.000 0.444 152 E N -0.312 119.864 120.200 -0.040 0.000 2.106 152 E HA -0.016 4.334 4.350 -0.000 0.000 0.192 152 E C 2.314 178.909 176.600 -0.008 0.000 0.984 152 E CA 0.829 57.214 56.400 -0.025 0.000 0.806 152 E CB -0.126 29.557 29.700 -0.030 0.000 0.750 152 E HN 0.600 nan 8.360 nan 0.000 0.458 153 A N 0.298 123.117 122.820 -0.002 0.000 2.206 153 A HA 0.163 4.483 4.320 -0.000 0.000 0.211 153 A C 1.777 179.379 177.584 0.031 0.000 1.158 153 A CA 0.889 52.941 52.037 0.025 0.000 0.761 153 A CB -0.425 18.606 19.000 0.052 0.000 0.801 153 A HN 0.347 nan 8.150 nan 0.000 0.473 154 G N -2.066 106.746 108.800 0.020 0.000 2.147 154 G HA2 0.084 4.044 3.960 -0.000 0.000 0.244 154 G HA3 0.084 4.044 3.960 -0.000 0.000 0.244 154 G C 0.287 175.214 174.900 0.045 0.000 1.005 154 G CA 0.466 45.581 45.100 0.024 0.000 0.713 154 G HN 1.600 nan 8.290 nan 0.000 0.515 155 A N -0.247 122.611 122.820 0.063 0.000 2.312 155 A HA 0.823 5.143 4.320 -0.000 0.000 0.326 155 A C 0.583 178.235 177.584 0.113 0.000 1.172 155 A CA -0.623 51.475 52.037 0.102 0.000 0.821 155 A CB 0.798 19.882 19.000 0.140 0.000 1.166 155 A HN 0.755 nan 8.150 nan 0.000 0.493 156 L N 1.340 122.642 121.223 0.132 0.000 2.461 156 L HA 0.190 4.530 4.340 -0.000 0.000 0.272 156 L C -0.400 176.644 176.870 0.289 0.000 1.197 156 L CA 0.007 54.941 54.840 0.157 0.000 0.836 156 L CB 0.311 42.439 42.059 0.114 0.000 1.105 156 L HN 0.699 nan 8.230 nan 0.000 0.477 157 F N 3.837 123.846 119.950 0.098 0.000 2.375 157 F HA 0.333 4.860 4.527 -0.000 0.000 0.361 157 F C -0.605 175.323 175.800 0.213 0.000 1.117 157 F CA -1.512 56.562 58.000 0.124 0.000 1.037 157 F CB 0.790 39.817 39.000 0.045 0.000 1.192 157 F HN 0.133 nan 8.300 nan 0.000 0.452 158 F N 8.144 128.098 119.950 0.006 0.000 2.405 158 F HA 0.609 5.136 4.527 -0.000 0.000 0.355 158 F C -1.737 173.905 175.800 -0.264 0.000 1.121 158 F CA -0.791 57.213 58.000 0.006 0.000 1.112 158 F CB 0.829 39.934 39.000 0.176 0.000 1.126 158 F HN 0.378 nan 8.300 nan 0.000 0.481 159 L N 7.071 127.972 121.223 -0.536 0.000 2.406 159 L HA 0.350 4.690 4.340 -0.000 0.000 0.272 159 L C -1.124 175.425 176.870 -0.534 0.000 0.980 159 L CA -0.470 54.079 54.840 -0.485 0.000 0.831 159 L CB 1.291 42.975 42.059 -0.626 0.000 1.253 159 L HN 0.562 nan 8.230 nan 0.000 0.406 160 D N 4.286 124.443 120.400 -0.405 0.000 2.338 160 D HA 0.312 4.952 4.640 -0.000 0.000 0.255 160 D C 0.096 176.117 176.300 -0.465 0.000 1.237 160 D CA 0.272 53.806 54.000 -0.777 0.000 0.883 160 D CB 1.686 42.355 40.800 -0.220 0.000 1.087 160 D HN 0.690 nan 8.370 nan 0.000 0.485 161 A N 3.915 126.384 122.820 -0.586 0.000 2.574 161 A HA 0.179 4.499 4.320 -0.000 0.000 0.283 161 A C 1.887 179.273 177.584 -0.329 0.000 1.270 161 A CA -0.316 51.545 52.037 -0.292 0.000 0.945 161 A CB 0.129 18.886 19.000 -0.405 0.000 1.127 161 A HN 0.474 nan 8.150 nan 0.000 0.522 162 V N 0.687 120.398 119.914 -0.338 0.000 2.324 162 V HA -0.245 3.874 4.120 -0.000 0.000 0.250 162 V C 2.756 178.733 176.094 -0.194 0.000 1.060 162 V CA 2.731 64.893 62.300 -0.231 0.000 1.042 162 V CB -0.770 30.939 31.823 -0.190 0.000 0.650 162 V HN 0.825 nan 8.190 nan 0.000 0.450 163 T N -3.589 110.857 114.554 -0.180 0.000 3.122 163 T HA 0.042 4.392 4.350 -0.000 0.000 0.250 163 T C 1.217 175.809 174.700 -0.180 0.000 1.067 163 T CA 0.827 62.835 62.100 -0.154 0.000 0.966 163 T CB 0.118 68.915 68.868 -0.117 0.000 1.002 163 T HN 0.651 nan 8.240 nan 0.000 0.542 164 T N -0.866 113.555 114.554 -0.221 0.000 3.075 164 T HA 0.356 4.706 4.350 -0.000 0.000 0.251 164 T C 0.426 174.988 174.700 -0.230 0.000 0.979 164 T CA -0.459 61.500 62.100 -0.235 0.000 1.033 164 T CB -0.592 68.069 68.868 -0.345 0.000 1.104 164 T HN 0.229 nan 8.240 nan 0.000 0.473 165 L N 3.206 124.198 121.223 -0.385 0.000 2.584 165 L HA 0.479 4.819 4.340 -0.000 0.000 0.272 165 L C 1.317 177.975 176.870 -0.354 0.000 1.195 165 L CA 1.899 56.412 54.840 -0.545 0.000 0.920 165 L CB -0.117 41.468 42.059 -0.790 0.000 1.173 165 L HN 0.765 nan 8.230 nan 0.000 0.489 166 G N 3.624 112.254 108.800 -0.282 0.000 2.175 166 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.244 166 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.244 166 G C 0.408 175.231 174.900 -0.127 0.000 0.982 166 G CA 0.515 45.496 45.100 -0.198 0.000 0.641 166 G HN 0.627 nan 8.290 nan 0.000 0.527 167 M N -1.121 118.410 119.600 -0.115 0.000 1.923 167 M HA 0.530 5.010 4.480 -0.000 0.000 0.249 167 M C 0.288 176.553 176.300 -0.059 0.000 1.178 167 M CA 0.761 56.013 55.300 -0.079 0.000 1.033 167 M CB 0.587 33.137 32.600 -0.083 0.000 1.801 167 M HN 0.089 nan 8.290 nan 0.000 0.629 168 L N 0.763 121.953 121.223 -0.055 0.000 2.319 168 L HA 0.575 4.915 4.340 -0.000 0.000 0.267 168 L C -2.211 174.696 176.870 0.061 0.000 1.011 168 L CA -2.220 52.609 54.840 -0.018 0.000 0.818 168 L CB 1.249 43.271 42.059 -0.062 0.000 1.316 168 L HN -0.143 nan 8.230 nan 0.000 0.432 169 P HA 0.015 nan 4.420 nan 0.000 0.262 169 P C -1.301 176.123 177.300 0.206 0.000 1.182 169 P CA 0.643 63.801 63.100 0.096 0.000 0.761 169 P CB 0.154 31.884 31.700 0.051 0.000 0.795 170 F N 1.945 121.904 119.950 0.016 0.000 2.628 170 F HA 0.541 5.068 4.527 -0.000 0.000 0.309 170 F C -1.040 174.774 175.800 0.023 0.000 1.108 170 F CA -0.263 57.759 58.000 0.037 0.000 0.971 170 F CB 1.813 40.825 39.000 0.020 0.000 1.279 170 F HN 0.188 nan 8.300 nan 0.000 0.441 171 S N 6.550 122.041 115.700 -0.348 0.000 2.599 171 S HA 0.294 4.764 4.470 -0.000 0.000 0.269 171 S C 0.226 174.665 174.600 -0.268 0.000 1.135 171 S CA -0.623 57.502 58.200 -0.125 0.000 1.027 171 S CB 0.924 64.085 63.200 -0.064 0.000 1.129 171 S HN 0.826 nan 8.310 nan 0.000 0.458 172 M N 3.167 122.720 119.600 -0.078 0.000 2.159 172 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 172 M C 2.146 178.411 176.300 -0.058 0.000 1.063 172 M CA 1.605 56.860 55.300 -0.075 0.000 1.110 172 M CB -0.214 32.401 32.600 0.024 0.000 1.374 172 M HN 0.646 nan 8.290 nan 0.000 0.411 173 R N 0.114 120.595 120.500 -0.032 0.000 2.066 173 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 173 R C 2.355 178.631 176.300 -0.040 0.000 1.131 173 R CA 1.624 57.709 56.100 -0.025 0.000 0.955 173 R CB -0.548 29.745 30.300 -0.011 0.000 0.851 173 R HN 0.368 nan 8.270 nan 0.000 0.432 174 A N 0.442 123.226 122.820 -0.061 0.000 1.969 174 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 174 A C 1.879 179.414 177.584 -0.081 0.000 1.169 174 A CA 1.212 53.209 52.037 -0.067 0.000 0.635 174 A CB -0.251 18.705 19.000 -0.072 0.000 0.810 174 A HN 0.212 nan 8.150 nan 0.000 0.445 175 M N -1.071 118.463 119.600 -0.110 0.000 2.428 175 M HA 0.218 4.698 4.480 -0.000 0.000 0.239 175 M C 1.169 177.491 176.300 0.036 0.000 1.121 175 M CA 0.569 55.821 55.300 -0.079 0.000 1.019 175 M CB 0.262 32.752 32.600 -0.184 0.000 1.485 175 M HN 0.513 nan 8.290 nan 0.000 0.484 176 G N 1.770 110.582 108.800 0.020 0.000 2.283 176 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.280 176 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.280 176 G C -0.074 174.965 174.900 0.231 0.000 1.029 176 G CA -0.158 44.982 45.100 0.067 0.000 0.840 176 G HN 0.353 nan 8.290 nan 0.000 0.505 177 V N 0.133 120.151 119.914 0.173 0.000 2.546 177 V HA 0.299 4.418 4.120 -0.000 0.000 0.284 177 V C 1.000 177.113 176.094 0.032 0.000 1.050 177 V CA 0.142 62.503 62.300 0.102 0.000 0.981 177 V CB 1.607 33.357 31.823 -0.121 0.000 0.990 177 V HN 0.330 nan 8.190 nan 0.000 0.474 178 D N 1.720 122.146 120.400 0.043 0.000 2.463 178 D HA 0.071 4.711 4.640 -0.000 0.000 0.237 178 D C -0.336 175.977 176.300 0.021 0.000 1.013 178 D CA 0.907 54.919 54.000 0.019 0.000 0.910 178 D CB 0.839 41.667 40.800 0.047 0.000 1.080 178 D HN 0.530 nan 8.370 nan 0.000 0.498 179 Y N 0.905 121.139 120.300 -0.109 0.000 2.346 179 Y HA 0.502 5.052 4.550 -0.000 0.000 0.332 179 Y C -1.300 174.416 175.900 -0.308 0.000 0.985 179 Y CA -0.881 57.138 58.100 -0.134 0.000 1.112 179 Y CB 1.445 39.948 38.460 0.072 0.000 1.170 179 Y HN -0.129 nan 8.280 nan 0.000 0.447 180 A N 5.915 128.210 122.820 -0.875 0.000 2.413 180 A HA 0.905 5.225 4.320 -0.000 0.000 0.307 180 A C -1.778 175.363 177.584 -0.737 0.000 1.087 180 A CA -0.506 51.125 52.037 -0.677 0.000 0.750 180 A CB 1.201 19.999 19.000 -0.337 0.000 1.296 180 A HN 0.921 nan 8.150 nan 0.000 0.423 181 F N -1.136 118.553 119.950 -0.435 0.000 2.741 181 F HA 0.893 5.420 4.527 -0.000 0.000 0.313 181 F C -0.660 175.093 175.800 -0.078 0.000 1.153 181 F CA -0.145 57.712 58.000 -0.239 0.000 0.931 181 F CB 1.151 40.005 39.000 -0.244 0.000 1.335 181 F HN 0.910 nan 8.300 nan 0.000 0.460 182 T N -0.747 113.948 114.554 0.235 0.000 2.661 182 T HA 0.698 5.048 4.350 -0.000 0.000 0.305 182 T C -1.222 173.565 174.700 0.144 0.000 1.441 182 T CA -0.186 61.957 62.100 0.071 0.000 0.999 182 T CB 1.161 69.949 68.868 -0.133 0.000 1.650 182 T HN 1.572 nan 8.240 nan 0.000 0.489 183 G N 0.366 109.192 108.800 0.044 0.000 2.473 183 G HA2 0.507 4.467 3.960 -0.000 0.000 0.321 183 G HA3 0.507 4.467 3.960 -0.000 0.000 0.321 183 G C 1.067 175.961 174.900 -0.010 0.000 1.200 183 G CA 0.229 45.352 45.100 0.037 0.000 0.963 183 G HN 1.014 nan 8.290 nan 0.000 0.483 184 S N 0.060 115.761 115.700 0.001 0.000 2.402 184 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 184 S C 1.784 176.375 174.600 -0.015 0.000 1.021 184 S CA 1.449 59.641 58.200 -0.012 0.000 0.974 184 S CB -0.090 63.115 63.200 0.010 0.000 0.800 184 S HN 0.687 nan 8.310 nan 0.000 0.484 185 Q N 1.141 120.937 119.800 -0.005 0.000 2.444 185 Q HA 0.150 4.490 4.340 -0.000 0.000 0.206 185 Q C 0.549 176.536 176.000 -0.022 0.000 0.948 185 Q CA 0.181 55.980 55.803 -0.006 0.000 0.946 185 Q CB -0.054 28.689 28.738 0.007 0.000 1.027 185 Q HN 0.369 nan 8.270 nan 0.000 0.513 186 K N 0.699 121.073 120.400 -0.042 0.000 3.554 186 K HA 0.144 4.464 4.320 -0.000 0.000 0.183 186 K C 1.937 178.497 176.600 -0.065 0.000 1.147 186 K CA 0.433 56.684 56.287 -0.061 0.000 1.595 186 K CB -0.960 31.488 32.500 -0.088 0.000 2.206 186 K HN 0.101 nan 8.250 nan 0.000 0.543 187 C N 1.785 121.029 119.300 -0.092 0.000 2.422 187 C HA 0.046 4.506 4.460 -0.000 0.000 0.286 187 C C 2.683 177.622 174.990 -0.085 0.000 1.412 187 C CA 0.299 59.263 59.018 -0.091 0.000 1.786 187 C CB -1.203 26.463 27.740 -0.123 0.000 1.835 187 C HN 0.335 nan 8.230 nan 0.000 0.533 188 L N 0.272 121.440 121.223 -0.092 0.000 2.395 188 L HA -0.006 4.334 4.340 -0.000 0.000 0.218 188 L C 1.491 178.334 176.870 -0.045 0.000 1.130 188 L CA 0.493 55.285 54.840 -0.080 0.000 0.826 188 L CB -0.537 41.467 42.059 -0.092 0.000 0.941 188 L HN 0.263 nan 8.230 nan 0.000 0.451 189 S N -0.140 115.539 115.700 -0.035 0.000 3.641 189 S HA -0.170 4.300 4.470 -0.000 0.000 0.346 189 S C 0.352 174.949 174.600 -0.005 0.000 1.074 189 S CA 0.432 58.623 58.200 -0.016 0.000 1.026 189 S CB -0.892 62.301 63.200 -0.011 0.000 0.908 189 S HN 0.581 nan 8.310 nan 0.000 0.479 190 A N 0.762 123.580 122.820 -0.004 0.000 2.282 190 A HA 0.843 5.163 4.320 -0.000 0.000 0.324 190 A C -2.746 174.850 177.584 0.021 0.000 1.119 190 A CA -1.972 50.073 52.037 0.012 0.000 0.880 190 A CB 0.528 19.535 19.000 0.012 0.000 1.294 190 A HN 0.201 nan 8.150 nan 0.000 0.493 191 P HA 0.223 nan 4.420 nan 0.000 0.271 191 P C -2.441 174.884 177.300 0.040 0.000 1.216 191 P CA -0.775 62.349 63.100 0.039 0.000 0.771 191 P CB 0.182 31.913 31.700 0.051 0.000 0.864 192 P HA 0.093 nan 4.420 nan 0.000 0.272 192 P C 0.577 177.909 177.300 0.054 0.000 1.230 192 P CA 0.441 63.565 63.100 0.040 0.000 0.788 192 P CB 0.573 32.295 31.700 0.036 0.000 0.949 193 G N 0.038 108.875 108.800 0.063 0.000 2.613 193 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.199 193 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.199 193 G C -0.407 174.556 174.900 0.105 0.000 0.991 193 G CA -0.403 44.747 45.100 0.082 0.000 0.756 193 G HN 0.440 nan 8.290 nan 0.000 0.515 194 L N 0.471 121.745 121.223 0.086 0.000 2.350 194 L HA 0.867 5.207 4.340 -0.000 0.000 0.260 194 L C -0.210 176.694 176.870 0.056 0.000 1.015 194 L CA -0.862 54.028 54.840 0.084 0.000 0.821 194 L CB 2.438 44.531 42.059 0.056 0.000 1.370 194 L HN 0.298 nan 8.230 nan 0.000 0.416 195 A N 2.225 125.073 122.820 0.046 0.000 2.702 195 A HA 0.679 4.999 4.320 -0.000 0.000 0.305 195 A C -2.698 174.893 177.584 0.011 0.000 1.213 195 A CA -1.357 50.707 52.037 0.045 0.000 0.745 195 A CB 0.532 19.564 19.000 0.053 0.000 1.161 195 A HN 0.288 nan 8.150 nan 0.000 0.445 196 P HA 0.347 nan 4.420 nan 0.000 0.267 196 P C -0.486 176.871 177.300 0.095 0.000 1.205 196 P CA 0.360 63.473 63.100 0.022 0.000 0.765 196 P CB 0.501 32.221 31.700 0.034 0.000 0.828 197 I N 0.174 120.699 120.570 -0.075 0.000 2.969 197 I HA 0.915 5.085 4.170 -0.000 0.000 0.307 197 I C -1.443 174.325 176.117 -0.582 0.000 1.149 197 I CA -1.366 59.742 61.300 -0.321 0.000 1.008 197 I CB 2.376 40.245 38.000 -0.219 0.000 1.232 197 I HN 0.272 nan 8.210 nan 0.000 0.435 198 A N 3.394 125.653 122.820 -0.936 0.000 2.442 198 A HA 0.932 5.252 4.320 -0.000 0.000 0.284 198 A C -0.853 176.411 177.584 -0.534 0.000 1.058 198 A CA -0.139 51.428 52.037 -0.783 0.000 0.738 198 A CB 1.030 19.288 19.000 -1.237 0.000 1.242 198 A HN 1.491 nan 8.150 nan 0.000 0.421 199 A N 2.210 124.904 122.820 -0.210 0.000 2.303 199 A HA 0.749 5.068 4.320 -0.000 0.000 0.320 199 A C 0.550 178.091 177.584 -0.072 0.000 1.192 199 A CA 0.109 52.142 52.037 -0.007 0.000 0.821 199 A CB 0.505 19.650 19.000 0.241 0.000 1.188 199 A HN 1.950 nan 8.150 nan 0.000 0.492 200 S N 2.136 117.783 115.700 -0.089 0.000 2.593 200 S HA 0.216 4.686 4.470 -0.000 0.000 0.269 200 S C 1.134 175.680 174.600 -0.091 0.000 1.334 200 S CA -0.145 58.005 58.200 -0.083 0.000 1.015 200 S CB 0.456 63.615 63.200 -0.069 0.000 0.912 200 S HN 1.269 nan 8.310 nan 0.000 0.541 201 L N 0.897 122.081 121.223 -0.065 0.000 2.043 201 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 201 L C 2.386 179.205 176.870 -0.085 0.000 1.075 201 L CA 1.970 56.774 54.840 -0.059 0.000 0.752 201 L CB -1.181 40.855 42.059 -0.038 0.000 0.891 201 L HN 0.789 nan 8.230 nan 0.000 0.432 202 E N -0.280 119.866 120.200 -0.090 0.000 2.150 202 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 202 E C 2.173 178.655 176.600 -0.198 0.000 0.985 202 E CA 1.155 57.493 56.400 -0.104 0.000 0.814 202 E CB -0.306 29.353 29.700 -0.068 0.000 0.752 202 E HN 0.662 nan 8.360 nan 0.000 0.466 203 A N 1.325 123.969 122.820 -0.293 0.000 1.897 203 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 203 A C 2.162 179.253 177.584 -0.822 0.000 1.181 203 A CA 1.023 52.652 52.037 -0.681 0.000 0.620 203 A CB -0.332 18.277 19.000 -0.652 0.000 0.821 203 A HN 0.100 nan 8.150 nan 0.000 0.443 204 R N -0.300 119.982 120.500 -0.363 0.000 2.091 204 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 204 R C 2.579 178.841 176.300 -0.063 0.000 1.136 204 R CA 1.914 57.945 56.100 -0.114 0.000 0.959 204 R CB -0.462 29.819 30.300 -0.032 0.000 0.856 204 R HN 0.536 nan 8.270 nan 0.000 0.437 205 K N 0.852 121.196 120.400 -0.093 0.000 2.097 205 K HA 0.025 4.344 4.320 -0.000 0.000 0.206 205 K C 1.999 178.582 176.600 -0.029 0.000 1.049 205 K CA 1.555 57.815 56.287 -0.046 0.000 0.933 205 K CB -0.712 31.759 32.500 -0.048 0.000 0.717 205 K HN 0.365 nan 8.250 nan 0.000 0.442 206 A N -0.594 122.177 122.820 -0.083 0.000 2.169 206 A HA 0.352 4.671 4.320 -0.000 0.000 0.212 206 A C 1.025 178.703 177.584 0.157 0.000 1.153 206 A CA -0.193 51.837 52.037 -0.011 0.000 0.756 206 A CB -0.152 18.812 19.000 -0.060 0.000 0.813 206 A HN 0.497 nan 8.150 nan 0.000 0.471 207 F N 1.778 121.715 119.950 -0.021 0.000 2.661 207 F HA 0.097 4.624 4.527 -0.000 0.000 0.356 207 F C 1.176 176.947 175.800 -0.047 0.000 1.244 207 F CA 0.105 58.079 58.000 -0.044 0.000 1.290 207 F CB 0.214 39.183 39.000 -0.051 0.000 1.677 207 F HN 0.270 nan 8.300 nan 0.000 0.649 208 T N -2.411 112.225 114.554 0.136 0.000 3.182 208 T HA 0.218 4.568 4.350 -0.000 0.000 0.277 208 T C 0.700 175.408 174.700 0.014 0.000 1.013 208 T CA -0.413 61.719 62.100 0.053 0.000 0.900 208 T CB 0.452 69.346 68.868 0.043 0.000 1.098 208 T HN 0.316 nan 8.240 nan 0.000 0.543 209 G N 1.537 110.332 108.800 -0.008 0.000 2.390 209 G HA2 0.514 4.474 3.960 -0.000 0.000 0.270 209 G HA3 0.514 4.474 3.960 -0.000 0.000 0.270 209 G C -0.403 174.452 174.900 -0.075 0.000 1.211 209 G CA -0.737 44.337 45.100 -0.045 0.000 0.842 209 G HN 0.221 nan 8.290 nan 0.000 0.519 210 K N 2.888 123.260 120.400 -0.047 0.000 2.527 210 K HA 0.305 4.625 4.320 -0.000 0.000 0.240 210 K C 0.353 176.941 176.600 -0.019 0.000 0.989 210 K CA -0.533 55.730 56.287 -0.039 0.000 0.985 210 K CB 2.114 34.608 32.500 -0.009 0.000 1.221 210 K HN 0.597 nan 8.250 nan 0.000 0.458 211 R N 0.082 120.556 120.500 -0.043 0.000 2.435 211 R HA 0.167 4.507 4.340 -0.000 0.000 0.221 211 R C 0.696 177.027 176.300 0.052 0.000 0.885 211 R CA -0.041 56.060 56.100 0.003 0.000 1.018 211 R CB 1.354 31.634 30.300 -0.035 0.000 1.259 211 R HN 0.472 nan 8.270 nan 0.000 0.597 212 G N -0.882 107.936 108.800 0.030 0.000 2.620 212 G HA2 0.247 4.207 3.960 -0.000 0.000 0.301 212 G HA3 0.247 4.207 3.960 -0.000 0.000 0.301 212 G C -1.122 173.869 174.900 0.152 0.000 1.347 212 G CA -0.666 44.502 45.100 0.113 0.000 0.971 212 G HN 0.170 nan 8.290 nan 0.000 0.488 213 W N 1.539 122.890 121.300 0.084 0.000 2.501 213 W HA 0.051 4.711 4.660 -0.000 0.000 0.309 213 W C 2.011 178.655 176.519 0.208 0.000 1.165 213 W CA 1.274 58.689 57.345 0.117 0.000 1.381 213 W CB -0.167 29.363 29.460 0.117 0.000 1.142 213 W HN 0.590 nan 8.180 nan 0.000 0.509 214 Y N 1.670 122.261 120.300 0.485 0.000 2.151 214 Y HA -0.239 4.311 4.550 -0.000 0.000 0.284 214 Y C 1.910 177.909 175.900 0.165 0.000 1.166 214 Y CA 2.556 60.859 58.100 0.339 0.000 1.163 214 Y CB -0.705 37.886 38.460 0.218 0.000 0.974 214 Y HN 0.018 nan 8.280 nan 0.000 0.511 215 L N -0.982 120.338 121.223 0.162 0.000 2.653 215 L HA 0.245 4.585 4.340 -0.000 0.000 0.232 215 L C -0.166 176.645 176.870 -0.099 0.000 1.169 215 L CA 0.022 54.870 54.840 0.014 0.000 0.951 215 L CB -0.822 41.258 42.059 0.035 0.000 1.181 215 L HN -0.046 nan 8.230 nan 0.000 0.460 216 D N 0.947 121.254 120.400 -0.155 0.000 2.346 216 D HA 0.053 4.693 4.640 -0.000 0.000 0.260 216 D C 1.072 177.223 176.300 -0.248 0.000 1.252 216 D CA 0.294 54.149 54.000 -0.242 0.000 0.895 216 D CB 0.899 41.489 40.800 -0.351 0.000 1.097 216 D HN 0.301 nan 8.370 nan 0.000 0.489 217 L N 3.473 124.583 121.223 -0.188 0.000 2.275 217 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 217 L C 2.405 179.208 176.870 -0.112 0.000 1.119 217 L CA 0.873 55.644 54.840 -0.115 0.000 0.790 217 L CB -0.211 41.825 42.059 -0.038 0.000 0.919 217 L HN 0.441 nan 8.230 nan 0.000 0.443 218 A N 0.288 123.022 122.820 -0.143 0.000 1.930 218 A HA -0.172 4.147 4.320 -0.000 0.000 0.217 218 A C 2.401 179.856 177.584 -0.215 0.000 1.175 218 A CA 1.241 53.201 52.037 -0.129 0.000 0.627 218 A CB -0.316 18.615 19.000 -0.115 0.000 0.815 218 A HN 0.313 nan 8.150 nan 0.000 0.443 219 R N -0.733 119.528 120.500 -0.399 0.000 2.073 219 R HA -0.039 4.301 4.340 -0.000 0.000 0.229 219 R C 2.039 177.970 176.300 -0.616 0.000 1.120 219 R CA 1.300 57.000 56.100 -0.667 0.000 0.967 219 R CB -0.563 29.003 30.300 -1.223 0.000 0.862 219 R HN 0.357 nan 8.270 nan 0.000 0.436 220 V N 1.369 121.014 119.914 -0.449 0.000 2.287 220 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 220 V C 2.485 178.670 176.094 0.150 0.000 1.053 220 V CA 2.075 64.380 62.300 0.008 0.000 1.027 220 V CB -0.824 31.028 31.823 0.048 0.000 0.646 220 V HN 0.434 nan 8.190 nan 0.000 0.447 221 A N -0.138 122.699 122.820 0.029 0.000 1.917 221 A HA -0.309 4.010 4.320 -0.000 0.000 0.219 221 A C 2.189 179.814 177.584 0.068 0.000 1.182 221 A CA 2.238 54.314 52.037 0.065 0.000 0.633 221 A CB -0.612 18.395 19.000 0.012 0.000 0.819 221 A HN 0.566 nan 8.150 nan 0.000 0.448 222 E N -0.774 119.428 120.200 0.003 0.000 2.118 222 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 222 E C 1.781 178.419 176.600 0.063 0.000 0.992 222 E CA 2.003 58.408 56.400 0.009 0.000 0.804 222 E CB -0.343 29.332 29.700 -0.043 0.000 0.741 222 E HN 0.818 nan 8.360 nan 0.000 0.458 223 H N -1.961 117.113 119.070 0.006 0.000 2.355 223 H HA 0.006 4.562 4.556 -0.000 0.000 0.303 223 H C 1.361 176.654 175.328 -0.058 0.000 1.061 223 H CA 1.757 57.788 56.048 -0.029 0.000 1.368 223 H CB -0.416 29.307 29.762 -0.064 0.000 1.412 223 H HN 0.187 nan 8.280 nan 0.000 0.523 224 W N 1.102 122.320 121.300 -0.137 0.000 2.519 224 W HA 0.078 4.738 4.660 -0.000 0.000 0.266 224 W C 1.996 178.449 176.519 -0.110 0.000 1.253 224 W CA 0.942 58.194 57.345 -0.155 0.000 1.274 224 W CB 0.377 29.818 29.460 -0.032 0.000 1.114 224 W HN 0.372 nan 8.180 nan 0.000 0.596 225 E N -1.184 119.083 120.200 0.111 0.000 2.290 225 E HA 0.110 4.459 4.350 -0.000 0.000 0.197 225 E C 2.303 178.908 176.600 0.008 0.000 0.948 225 E CA 0.695 57.131 56.400 0.061 0.000 0.895 225 E CB 0.024 29.761 29.700 0.061 0.000 0.865 225 E HN 0.175 nan 8.360 nan 0.000 0.486 226 R N 0.587 121.080 120.500 -0.011 0.000 2.535 226 R HA 0.279 4.619 4.340 -0.000 0.000 0.323 226 R C 1.297 177.573 176.300 -0.039 0.000 0.979 226 R CA 0.600 56.691 56.100 -0.016 0.000 1.120 226 R CB -0.321 29.982 30.300 0.005 0.000 1.306 226 R HN 0.217 nan 8.270 nan 0.000 0.540 227 G N -0.198 108.532 108.800 -0.117 0.000 2.203 227 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.263 227 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.263 227 G C 0.810 175.726 174.900 0.027 0.000 1.012 227 G CA 0.598 45.610 45.100 -0.148 0.000 0.749 227 G HN 1.347 nan 8.290 nan 0.000 0.512 228 G N -1.317 107.536 108.800 0.090 0.000 2.621 228 G HA2 0.489 4.449 3.960 -0.000 0.000 0.271 228 G HA3 0.489 4.449 3.960 -0.000 0.000 0.271 228 G C -0.286 174.805 174.900 0.317 0.000 1.236 228 G CA -0.395 44.805 45.100 0.166 0.000 0.958 228 G HN 0.747 nan 8.290 nan 0.000 0.512 229 Y N -0.343 120.042 120.300 0.142 0.000 2.350 229 Y HA 0.350 4.900 4.550 -0.000 0.000 0.340 229 Y C 0.944 176.939 175.900 0.159 0.000 1.006 229 Y CA -0.380 57.802 58.100 0.136 0.000 1.166 229 Y CB 0.695 39.237 38.460 0.137 0.000 1.168 229 Y HN 0.729 nan 8.280 nan 0.000 0.502 230 H N 4.176 122.836 119.070 -0.684 0.000 2.336 230 H HA 0.195 4.751 4.556 -0.000 0.000 0.307 230 H C -0.698 174.104 175.328 -0.876 0.000 1.056 230 H CA 0.580 56.233 56.048 -0.659 0.000 1.471 230 H CB 0.585 30.059 29.762 -0.481 0.000 1.502 230 H HN 0.739 nan 8.280 nan 0.000 0.630 231 H N -1.381 117.274 119.070 -0.692 0.000 3.014 231 H HA 0.298 4.854 4.556 -0.000 0.000 0.337 231 H C -1.266 173.969 175.328 -0.154 0.000 1.320 231 H CA -0.719 55.121 56.048 -0.348 0.000 1.128 231 H CB 0.778 30.412 29.762 -0.213 0.000 1.862 231 H HN -0.015 nan 8.280 nan 0.000 0.536 232 T N 2.710 117.316 114.554 0.087 0.000 2.867 232 T HA 0.306 4.656 4.350 -0.000 0.000 0.297 232 T C 0.383 175.073 174.700 -0.017 0.000 0.989 232 T CA 0.595 62.492 62.100 -0.339 0.000 1.159 232 T CB -0.093 68.553 68.868 -0.369 0.000 0.928 232 T HN 0.772 nan 8.240 nan 0.000 0.538 233 T N 1.404 115.877 114.554 -0.135 0.000 2.918 233 T HA 0.438 4.788 4.350 -0.000 0.000 0.283 233 T C -2.702 171.940 174.700 -0.096 0.000 1.001 233 T CA -2.274 59.796 62.100 -0.050 0.000 1.041 233 T CB 0.979 69.721 68.868 -0.210 0.000 1.028 233 T HN 0.134 nan 8.240 nan 0.000 0.511 234 P HA 0.281 nan 4.420 nan 0.000 0.237 234 P C 1.153 178.376 177.300 -0.129 0.000 1.788 234 P CA -0.367 62.738 63.100 0.009 0.000 1.061 234 P CB -0.332 31.457 31.700 0.149 0.000 1.967 235 V N 1.616 121.343 119.914 -0.311 0.000 2.277 235 V HA -0.320 3.800 4.120 -0.000 0.000 0.253 235 V C 2.260 177.990 176.094 -0.607 0.000 1.067 235 V CA 1.989 63.984 62.300 -0.508 0.000 1.047 235 V CB -1.012 30.566 31.823 -0.408 0.000 0.649 235 V HN 0.403 nan 8.190 nan 0.000 0.447 236 L N -1.096 119.916 121.223 -0.351 0.000 2.141 236 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 236 L C 2.390 179.251 176.870 -0.015 0.000 1.094 236 L CA 1.273 55.992 54.840 -0.201 0.000 0.763 236 L CB -0.541 41.522 42.059 0.007 0.000 0.908 236 L HN 0.325 nan 8.230 nan 0.000 0.437 237 L N -1.109 120.144 121.223 0.049 0.000 2.093 237 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 237 L C 2.644 179.632 176.870 0.198 0.000 1.085 237 L CA 0.975 55.898 54.840 0.139 0.000 0.755 237 L CB -0.741 41.417 42.059 0.165 0.000 0.904 237 L HN 0.292 nan 8.230 nan 0.000 0.435 238 H N -1.169 117.900 119.070 -0.002 0.000 2.353 238 H HA -0.173 4.383 4.556 -0.000 0.000 0.300 238 H C 2.040 177.455 175.328 0.146 0.000 1.090 238 H CA 1.626 57.713 56.048 0.065 0.000 1.327 238 H CB -0.388 29.376 29.762 0.003 0.000 1.383 238 H HN 0.200 nan 8.280 nan 0.000 0.508 239 Y N 0.242 120.665 120.300 0.204 0.000 2.128 239 Y HA -0.156 4.394 4.550 -0.000 0.000 0.284 239 Y C 2.723 178.676 175.900 0.090 0.000 1.154 239 Y CA 0.801 58.973 58.100 0.120 0.000 1.149 239 Y CB -1.168 37.344 38.460 0.087 0.000 0.976 239 Y HN 0.244 nan 8.280 nan 0.000 0.505 240 A N -0.167 122.806 122.820 0.256 0.000 1.877 240 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 240 A C 2.294 179.942 177.584 0.107 0.000 1.186 240 A CA 1.548 53.676 52.037 0.152 0.000 0.620 240 A CB -1.155 17.918 19.000 0.122 0.000 0.822 240 A HN 0.382 nan 8.150 nan 0.000 0.443 241 L N -0.645 120.639 121.223 0.102 0.000 2.042 241 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 241 L C 2.243 179.145 176.870 0.052 0.000 1.076 241 L CA 2.147 57.020 54.840 0.055 0.000 0.749 241 L CB -0.659 41.416 42.059 0.027 0.000 0.893 241 L HN 0.360 nan 8.230 nan 0.000 0.432 242 L N -0.460 120.817 121.223 0.091 0.000 2.083 242 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 242 L C 2.434 179.337 176.870 0.055 0.000 1.083 242 L CA 1.928 56.816 54.840 0.080 0.000 0.752 242 L CB -0.755 41.376 42.059 0.120 0.000 0.899 242 L HN 0.408 nan 8.230 nan 0.000 0.433 243 E N -0.452 119.786 120.200 0.064 0.000 2.106 243 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 243 E C 2.123 178.737 176.600 0.024 0.000 0.984 243 E CA 1.311 57.736 56.400 0.042 0.000 0.806 243 E CB -0.249 29.480 29.700 0.049 0.000 0.750 243 E HN 0.568 nan 8.360 nan 0.000 0.458 244 A N 0.124 122.957 122.820 0.022 0.000 1.930 244 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 244 A C 2.205 179.780 177.584 -0.015 0.000 1.175 244 A CA 1.049 53.087 52.037 0.002 0.000 0.627 244 A CB -0.614 18.386 19.000 -0.000 0.000 0.815 244 A HN 0.306 nan 8.150 nan 0.000 0.443 245 L N -0.441 120.772 121.223 -0.016 0.000 2.083 245 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 245 L C 2.041 178.895 176.870 -0.026 0.000 1.083 245 L CA 1.420 56.239 54.840 -0.035 0.000 0.752 245 L CB -0.544 41.497 42.059 -0.030 0.000 0.899 245 L HN 0.312 nan 8.230 nan 0.000 0.433 246 D N -0.042 120.353 120.400 -0.008 0.000 2.117 246 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 246 D C 2.391 178.685 176.300 -0.011 0.000 0.982 246 D CA 1.016 55.012 54.000 -0.006 0.000 0.828 246 D CB -0.089 40.714 40.800 0.004 0.000 0.967 246 D HN 0.247 nan 8.370 nan 0.000 0.464 247 L N 0.443 121.660 121.223 -0.010 0.000 2.079 247 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 247 L C 2.434 179.292 176.870 -0.020 0.000 1.081 247 L CA 0.654 55.487 54.840 -0.011 0.000 0.752 247 L CB -0.115 41.939 42.059 -0.008 0.000 0.896 247 L HN -0.039 nan 8.230 nan 0.000 0.433 248 V N -0.148 119.748 119.914 -0.030 0.000 2.270 248 V HA -0.289 3.831 4.120 -0.000 0.000 0.245 248 V C 2.285 178.356 176.094 -0.037 0.000 1.043 248 V CA 1.572 63.847 62.300 -0.042 0.000 1.014 248 V CB -0.343 31.440 31.823 -0.067 0.000 0.645 248 V HN 0.352 nan 8.190 nan 0.000 0.447 249 L N -0.332 120.870 121.223 -0.034 0.000 2.201 249 L HA -0.165 4.174 4.340 -0.000 0.000 0.212 249 L C 2.496 179.355 176.870 -0.018 0.000 1.105 249 L CA 1.397 56.221 54.840 -0.027 0.000 0.775 249 L CB -0.540 41.505 42.059 -0.023 0.000 0.913 249 L HN 0.418 nan 8.230 nan 0.000 0.440 250 E N -0.314 119.877 120.200 -0.015 0.000 2.152 250 E HA -0.220 4.129 4.350 -0.000 0.000 0.192 250 E C 1.996 178.589 176.600 -0.011 0.000 0.983 250 E CA 0.840 57.234 56.400 -0.011 0.000 0.818 250 E CB 0.146 29.841 29.700 -0.009 0.000 0.758 250 E HN 0.438 nan 8.360 nan 0.000 0.467 251 E N -0.034 120.157 120.200 -0.014 0.000 2.102 251 E HA 0.037 4.387 4.350 -0.000 0.000 0.190 251 E C 0.253 176.844 176.600 -0.015 0.000 0.971 251 E CA 0.650 57.042 56.400 -0.014 0.000 0.821 251 E CB 0.420 30.111 29.700 -0.015 0.000 0.777 251 E HN 0.169 nan 8.360 nan 0.000 0.460 252 G N -0.001 108.788 108.800 -0.018 0.000 3.055 252 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.686 252 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.686 252 G C 0.372 175.260 174.900 -0.020 0.000 1.087 252 G CA -0.246 44.843 45.100 -0.018 0.000 0.779 252 G HN 0.083 nan 8.290 nan 0.000 0.599 253 V N 2.213 122.114 119.914 -0.021 0.000 2.332 253 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 253 V C 3.314 179.399 176.094 -0.015 0.000 1.055 253 V CA 3.433 65.720 62.300 -0.022 0.000 1.038 253 V CB -1.148 30.667 31.823 -0.014 0.000 0.651 253 V HN 1.700 nan 8.190 nan 0.000 0.450 254 A N 0.012 122.826 122.820 -0.009 0.000 1.883 254 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 254 A C 2.413 179.990 177.584 -0.011 0.000 1.186 254 A CA 2.242 54.274 52.037 -0.008 0.000 0.624 254 A CB -0.790 18.206 19.000 -0.006 0.000 0.822 254 A HN 0.589 nan 8.150 nan 0.000 0.444 255 A N -0.515 122.298 122.820 -0.012 0.000 1.969 255 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 255 A C 2.217 179.793 177.584 -0.012 0.000 1.169 255 A CA 1.362 53.392 52.037 -0.011 0.000 0.635 255 A CB -0.390 18.604 19.000 -0.011 0.000 0.810 255 A HN 0.553 nan 8.150 nan 0.000 0.445 256 R N -0.506 119.984 120.500 -0.016 0.000 2.092 256 R HA -0.110 4.230 4.340 -0.000 0.000 0.231 256 R C 2.245 178.534 176.300 -0.019 0.000 1.119 256 R CA 1.362 57.452 56.100 -0.018 0.000 0.970 256 R CB -0.237 30.046 30.300 -0.028 0.000 0.864 256 R HN 0.822 nan 8.270 nan 0.000 0.440 257 E N 1.274 121.461 120.200 -0.022 0.000 2.051 257 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 257 E C 1.951 178.540 176.600 -0.020 0.000 0.991 257 E CA 1.067 57.451 56.400 -0.026 0.000 0.799 257 E CB 0.083 29.767 29.700 -0.026 0.000 0.748 257 E HN 0.202 nan 8.360 nan 0.000 0.449 258 R N 0.180 120.672 120.500 -0.014 0.000 2.091 258 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 258 R C 2.704 179.005 176.300 0.000 0.000 1.136 258 R CA 1.627 57.721 56.100 -0.008 0.000 0.959 258 R CB -0.340 29.956 30.300 -0.008 0.000 0.856 258 R HN 0.179 nan 8.270 nan 0.000 0.437 259 R N 0.256 120.757 120.500 0.001 0.000 2.073 259 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 259 R C 2.233 178.548 176.300 0.024 0.000 1.134 259 R CA 1.622 57.728 56.100 0.010 0.000 0.952 259 R CB -0.235 30.069 30.300 0.007 0.000 0.850 259 R HN 0.231 nan 8.270 nan 0.000 0.433 260 A N 0.815 123.644 122.820 0.015 0.000 1.877 260 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 260 A C 2.135 179.749 177.584 0.050 0.000 1.186 260 A CA 1.331 53.383 52.037 0.026 0.000 0.620 260 A CB -0.411 18.591 19.000 0.004 0.000 0.822 260 A HN 0.309 nan 8.150 nan 0.000 0.443 261 R N -0.672 119.839 120.500 0.019 0.000 2.115 261 R HA -0.127 4.213 4.340 -0.000 0.000 0.230 261 R C 2.278 178.624 176.300 0.077 0.000 1.111 261 R CA 1.369 57.478 56.100 0.016 0.000 0.976 261 R CB -0.238 30.040 30.300 -0.037 0.000 0.870 261 R HN 0.819 nan 8.270 nan 0.000 0.445 262 E N 0.629 120.868 120.200 0.065 0.000 2.051 262 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 262 E C 1.809 178.495 176.600 0.143 0.000 0.991 262 E CA 1.374 57.823 56.400 0.081 0.000 0.799 262 E CB 0.175 29.900 29.700 0.042 0.000 0.748 262 E HN 0.088 nan 8.360 nan 0.000 0.449 263 V N 0.617 120.611 119.914 0.134 0.000 2.427 263 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 263 V C 2.138 178.282 176.094 0.083 0.000 1.051 263 V CA 1.980 64.384 62.300 0.173 0.000 1.048 263 V CB -0.845 31.024 31.823 0.077 0.000 0.666 263 V HN 0.396 nan 8.190 nan 0.000 0.456 264 Y N 1.416 121.675 120.300 -0.067 0.000 2.081 264 Y HA -0.321 4.229 4.550 -0.000 0.000 0.280 264 Y C 2.476 178.334 175.900 -0.069 0.000 1.163 264 Y CA 2.130 60.162 58.100 -0.114 0.000 1.135 264 Y CB -0.412 38.000 38.460 -0.081 0.000 0.970 264 Y HN 0.170 nan 8.280 nan 0.000 0.498 265 A N -0.288 122.706 122.820 0.290 0.000 1.877 265 A HA -0.268 4.052 4.320 -0.000 0.000 0.216 265 A C 2.005 179.670 177.584 0.137 0.000 1.186 265 A CA 1.724 53.889 52.037 0.213 0.000 0.620 265 A CB -1.699 17.407 19.000 0.177 0.000 0.822 265 A HN 0.844 nan 8.150 nan 0.000 0.443 266 W N 0.831 122.123 121.300 -0.013 0.000 2.354 266 W HA -0.163 4.497 4.660 -0.000 0.000 0.315 266 W C 1.947 178.429 176.519 -0.061 0.000 1.206 266 W CA 2.173 59.502 57.345 -0.027 0.000 1.290 266 W CB -0.736 28.712 29.460 -0.021 0.000 1.152 266 W HN 0.089 nan 8.180 nan 0.000 0.489 267 V N 1.443 121.038 119.914 -0.533 0.000 2.407 267 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 267 V C 2.301 178.086 176.094 -0.515 0.000 1.055 267 V CA 1.871 63.699 62.300 -0.787 0.000 1.049 267 V CB -1.366 30.008 31.823 -0.750 0.000 0.662 267 V HN 0.305 nan 8.190 nan 0.000 0.455 268 L N 0.206 121.197 121.223 -0.388 0.000 2.046 268 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 268 L C 2.494 179.268 176.870 -0.159 0.000 1.077 268 L CA 1.944 56.621 54.840 -0.271 0.000 0.747 268 L CB -0.798 41.143 42.059 -0.197 0.000 0.896 268 L HN 0.256 nan 8.230 nan 0.000 0.432 269 E N -0.122 120.006 120.200 -0.120 0.000 2.051 269 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 269 E C 2.117 178.663 176.600 -0.090 0.000 0.991 269 E CA 1.119 57.486 56.400 -0.054 0.000 0.799 269 E CB -0.289 29.419 29.700 0.013 0.000 0.748 269 E HN 0.551 nan 8.360 nan 0.000 0.449 270 E N 0.663 120.736 120.200 -0.211 0.000 2.085 270 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 270 E C 2.381 178.891 176.600 -0.150 0.000 0.994 270 E CA 0.644 56.919 56.400 -0.209 0.000 0.801 270 E CB -0.267 29.181 29.700 -0.420 0.000 0.743 270 E HN 0.306 nan 8.360 nan 0.000 0.453 271 L N 0.420 121.522 121.223 -0.202 0.000 2.109 271 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 271 L C 2.456 179.386 176.870 0.099 0.000 1.086 271 L CA 0.967 55.698 54.840 -0.183 0.000 0.760 271 L CB -0.248 41.588 42.059 -0.372 0.000 0.910 271 L HN 0.032 nan 8.230 nan 0.000 0.437 272 K N 0.302 120.731 120.400 0.049 0.000 2.057 272 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 272 K C 2.235 178.889 176.600 0.090 0.000 1.050 272 K CA 1.278 57.620 56.287 0.092 0.000 0.935 272 K CB -0.243 32.287 32.500 0.050 0.000 0.715 272 K HN 0.246 nan 8.250 nan 0.000 0.439 273 A N 1.488 124.342 122.820 0.057 0.000 2.024 273 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 273 A C 1.750 179.379 177.584 0.076 0.000 1.164 273 A CA 1.282 53.350 52.037 0.052 0.000 0.643 273 A CB -0.294 18.726 19.000 0.032 0.000 0.806 273 A HN 0.223 nan 8.150 nan 0.000 0.451 274 R N -1.601 118.979 120.500 0.132 0.000 2.334 274 R HA 0.256 4.596 4.340 -0.000 0.000 0.220 274 R C 1.177 177.585 176.300 0.181 0.000 0.917 274 R CA 0.503 56.715 56.100 0.186 0.000 1.073 274 R CB 0.021 30.490 30.300 0.281 0.000 1.056 274 R HN 0.656 nan 8.270 nan 0.000 0.506 275 G N 0.359 109.240 108.800 0.136 0.000 2.175 275 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.244 275 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.244 275 G C 0.139 175.034 174.900 -0.008 0.000 0.982 275 G CA -0.465 44.651 45.100 0.026 0.000 0.641 275 G HN 0.213 nan 8.290 nan 0.000 0.527 276 F N 0.827 120.778 119.950 0.003 0.000 2.406 276 F HA 0.689 5.216 4.527 -0.000 0.000 0.327 276 F C 1.416 177.225 175.800 0.015 0.000 1.153 276 F CA -0.012 57.995 58.000 0.013 0.000 1.218 276 F CB 0.650 39.657 39.000 0.011 0.000 1.215 276 F HN -0.034 nan 8.300 nan 0.000 0.570 277 R N 1.619 122.246 120.500 0.211 0.000 2.621 277 R HA 0.337 4.677 4.340 -0.000 0.000 0.284 277 R C -2.796 173.595 176.300 0.152 0.000 0.998 277 R CA -2.082 54.100 56.100 0.138 0.000 0.895 277 R CB 1.853 32.206 30.300 0.089 0.000 1.195 277 R HN 0.279 nan 8.270 nan 0.000 0.450 278 P HA -0.086 nan 4.420 nan 0.000 0.268 278 P C -0.412 176.981 177.300 0.156 0.000 1.204 278 P CA 0.077 63.256 63.100 0.132 0.000 0.768 278 P CB 0.702 32.468 31.700 0.110 0.000 0.842 279 Y N 5.953 126.299 120.300 0.076 0.000 2.206 279 Y HA 0.078 4.628 4.550 -0.000 0.000 0.292 279 Y C -1.193 174.750 175.900 0.071 0.000 1.123 279 Y CA 0.519 58.661 58.100 0.071 0.000 1.142 279 Y CB -1.678 36.825 38.460 0.072 0.000 1.006 279 Y HN 0.285 nan 8.280 nan 0.000 0.518 280 P HA -0.014 nan 4.420 nan 0.000 0.265 280 P C -0.589 176.658 177.300 -0.088 0.000 1.193 280 P CA 0.587 63.656 63.100 -0.053 0.000 0.765 280 P CB 1.262 33.014 31.700 0.086 0.000 0.823 281 K N 1.414 121.742 120.400 -0.121 0.000 2.323 281 K HA 0.355 4.674 4.320 -0.000 0.000 0.197 281 K C 0.741 177.321 176.600 -0.033 0.000 1.043 281 K CA 0.435 56.675 56.287 -0.079 0.000 0.997 281 K CB 0.417 32.862 32.500 -0.092 0.000 0.807 281 K HN 0.616 nan 8.250 nan 0.000 0.497 282 A N -0.119 122.687 122.820 -0.023 0.000 2.608 282 A HA 0.462 4.782 4.320 -0.000 0.000 0.292 282 A C -0.624 176.954 177.584 -0.010 0.000 1.066 282 A CA -0.543 51.487 52.037 -0.012 0.000 0.676 282 A CB 1.269 20.263 19.000 -0.010 0.000 1.277 282 A HN -0.052 nan 8.150 nan 0.000 0.413 283 S N 0.941 116.630 115.700 -0.018 0.000 3.527 283 S HA -0.087 4.383 4.470 -0.000 0.000 0.409 283 S C -1.995 172.586 174.600 -0.030 0.000 0.900 283 S CA 0.491 58.675 58.200 -0.027 0.000 1.320 283 S CB -0.929 62.261 63.200 -0.018 0.000 0.915 283 S HN 0.775 nan 8.310 nan 0.000 0.575 284 P HA 0.228 nan 4.420 nan 0.000 0.271 284 P C -0.103 177.111 177.300 -0.143 0.000 1.216 284 P CA -0.634 62.431 63.100 -0.059 0.000 0.771 284 P CB 0.760 32.416 31.700 -0.074 0.000 0.864 285 L N 7.247 128.438 121.223 -0.052 0.000 2.385 285 L HA 0.218 4.558 4.340 -0.000 0.000 0.281 285 L C -1.411 175.391 176.870 -0.114 0.000 1.106 285 L CA -2.042 52.757 54.840 -0.069 0.000 0.856 285 L CB 0.174 42.236 42.059 0.006 0.000 1.186 285 L HN 0.243 nan 8.230 nan 0.000 0.453 286 P HA -0.145 nan 4.420 nan 0.000 0.222 286 P C 0.878 178.208 177.300 0.051 0.000 1.147 286 P CA 1.447 64.401 63.100 -0.244 0.000 0.790 286 P CB -0.078 31.487 31.700 -0.226 0.000 0.780 287 T N -3.699 110.860 114.554 0.009 0.000 3.100 287 T HA 0.176 4.526 4.350 -0.000 0.000 0.253 287 T C 0.635 175.361 174.700 0.043 0.000 1.118 287 T CA -0.035 62.076 62.100 0.017 0.000 1.058 287 T CB -0.364 68.480 68.868 -0.040 0.000 0.953 287 T HN -0.132 nan 8.240 nan 0.000 0.515 288 V N 2.117 122.088 119.914 0.095 0.000 2.509 288 V HA 0.454 4.574 4.120 -0.000 0.000 0.289 288 V C -1.044 175.131 176.094 0.136 0.000 1.026 288 V CA -1.174 61.173 62.300 0.079 0.000 0.872 288 V CB 1.678 33.538 31.823 0.062 0.000 1.017 288 V HN 0.330 nan 8.190 nan 0.000 0.436 289 L N 7.169 128.392 121.223 -0.000 0.000 2.261 289 L HA 0.619 4.959 4.340 -0.000 0.000 0.289 289 L C -0.347 176.486 176.870 -0.062 0.000 1.059 289 L CA 0.275 55.028 54.840 -0.145 0.000 0.816 289 L CB 1.238 42.990 42.059 -0.512 0.000 1.191 289 L HN 0.444 nan 8.230 nan 0.000 0.431 290 V N 6.372 126.313 119.914 0.045 0.000 2.370 290 V HA 0.656 4.776 4.120 -0.000 0.000 0.283 290 V C -0.175 175.993 176.094 0.124 0.000 1.023 290 V CA -0.489 61.859 62.300 0.080 0.000 0.857 290 V CB 1.561 33.462 31.823 0.130 0.000 0.985 290 V HN 0.637 nan 8.190 nan 0.000 0.443 291 V N 1.643 121.626 119.914 0.116 0.000 2.962 291 V HA 0.998 5.118 4.120 -0.000 0.000 0.313 291 V C -0.116 176.111 176.094 0.221 0.000 1.099 291 V CA -0.959 61.453 62.300 0.187 0.000 0.971 291 V CB 1.720 33.660 31.823 0.195 0.000 1.028 291 V HN 0.974 nan 8.190 nan 0.000 0.430 292 R N 2.716 123.351 120.500 0.226 0.000 2.428 292 R HA 0.876 5.216 4.340 -0.000 0.000 0.294 292 R C -2.681 173.675 176.300 0.095 0.000 1.000 292 R CA -1.709 54.481 56.100 0.151 0.000 0.960 292 R CB 0.230 30.612 30.300 0.136 0.000 1.076 292 R HN 0.857 nan 8.270 nan 0.000 0.475 293 P HA 0.248 nan 4.420 nan 0.000 0.274 293 P C -2.562 174.480 177.300 -0.430 0.000 1.256 293 P CA -1.370 61.513 63.100 -0.362 0.000 0.795 293 P CB 0.128 31.710 31.700 -0.198 0.000 1.038 294 P HA 0.106 nan 4.420 nan 0.000 0.271 294 P C 0.043 177.219 177.300 -0.208 0.000 1.244 294 P CA 0.015 62.883 63.100 -0.386 0.000 0.793 294 P CB 0.183 31.639 31.700 -0.408 0.000 0.984 295 E N 0.179 120.302 120.200 -0.128 0.000 2.414 295 E HA 0.151 4.501 4.350 -0.000 0.000 0.263 295 E C 1.177 177.730 176.600 -0.078 0.000 1.000 295 E CA 1.141 57.493 56.400 -0.081 0.000 0.914 295 E CB -0.198 29.470 29.700 -0.053 0.000 0.948 295 E HN 0.780 nan 8.360 nan 0.000 0.444 296 G N 2.029 110.794 108.800 -0.059 0.000 2.212 296 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.266 296 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.266 296 G C 0.194 175.060 174.900 -0.056 0.000 0.978 296 G CA 0.284 45.354 45.100 -0.049 0.000 0.632 296 G HN 0.425 nan 8.290 nan 0.000 0.537 297 V N 1.155 121.018 119.914 -0.084 0.000 2.394 297 V HA 0.512 4.632 4.120 -0.000 0.000 0.282 297 V C 0.135 176.191 176.094 -0.064 0.000 1.031 297 V CA -0.385 61.865 62.300 -0.084 0.000 0.881 297 V CB 1.694 33.432 31.823 -0.140 0.000 0.982 297 V HN 0.383 nan 8.190 nan 0.000 0.451 298 D N 3.669 124.049 120.400 -0.034 0.000 2.308 298 D HA 0.489 5.129 4.640 -0.000 0.000 0.251 298 D C 0.994 177.293 176.300 -0.002 0.000 1.127 298 D CA 0.379 54.369 54.000 -0.017 0.000 0.876 298 D CB 1.952 42.748 40.800 -0.008 0.000 1.176 298 D HN 0.578 nan 8.370 nan 0.000 0.446 299 A N 3.858 126.681 122.820 0.006 0.000 1.851 299 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 299 A C 1.743 179.351 177.584 0.040 0.000 1.195 299 A CA 1.597 53.653 52.037 0.032 0.000 0.622 299 A CB -0.509 18.506 19.000 0.026 0.000 0.831 299 A HN 0.752 nan 8.150 nan 0.000 0.444 300 D N -0.490 119.924 120.400 0.023 0.000 2.178 300 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 300 D C 2.426 178.740 176.300 0.024 0.000 0.980 300 D CA 1.838 55.851 54.000 0.020 0.000 0.842 300 D CB -0.415 40.389 40.800 0.006 0.000 0.948 300 D HN 0.509 nan 8.370 nan 0.000 0.472 301 R N 0.838 121.351 120.500 0.021 0.000 2.092 301 R HA -0.045 4.295 4.340 -0.000 0.000 0.231 301 R C 2.217 178.540 176.300 0.038 0.000 1.119 301 R CA 1.048 57.161 56.100 0.022 0.000 0.970 301 R CB -1.475 28.832 30.300 0.012 0.000 0.864 301 R HN 0.199 nan 8.270 nan 0.000 0.440 302 L N 0.407 121.659 121.223 0.049 0.000 2.093 302 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 302 L C 2.420 179.348 176.870 0.098 0.000 1.085 302 L CA 1.406 56.291 54.840 0.075 0.000 0.755 302 L CB -0.154 41.965 42.059 0.101 0.000 0.904 302 L HN 0.184 nan 8.230 nan 0.000 0.435 303 V N -0.174 119.796 119.914 0.094 0.000 2.343 303 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 303 V C 2.684 178.844 176.094 0.110 0.000 1.051 303 V CA 1.996 64.359 62.300 0.106 0.000 1.036 303 V CB -0.647 31.222 31.823 0.076 0.000 0.654 303 V HN 0.455 nan 8.190 nan 0.000 0.451 304 R N 0.123 120.668 120.500 0.076 0.000 2.075 304 R HA -0.058 4.281 4.340 -0.000 0.000 0.232 304 R C 2.464 178.840 176.300 0.127 0.000 1.126 304 R CA 1.351 57.500 56.100 0.082 0.000 0.963 304 R CB -0.599 29.721 30.300 0.034 0.000 0.858 304 R HN 0.522 nan 8.270 nan 0.000 0.435 305 A N 1.477 124.351 122.820 0.090 0.000 1.908 305 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 305 A C 2.198 179.829 177.584 0.078 0.000 1.181 305 A CA 1.188 53.269 52.037 0.073 0.000 0.627 305 A CB -0.571 18.457 19.000 0.048 0.000 0.818 305 A HN 0.172 nan 8.150 nan 0.000 0.445 306 L N -2.262 119.017 121.223 0.094 0.000 2.017 306 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 306 L C 2.578 179.507 176.870 0.098 0.000 1.073 306 L CA 1.925 56.813 54.840 0.081 0.000 0.745 306 L CB -0.653 41.481 42.059 0.125 0.000 0.894 306 L HN 0.592 nan 8.230 nan 0.000 0.432 307 Y N 0.723 121.040 120.300 0.029 0.000 2.114 307 Y HA -0.356 4.194 4.550 -0.000 0.000 0.282 307 Y C 2.464 178.371 175.900 0.013 0.000 1.165 307 Y CA 1.556 59.669 58.100 0.022 0.000 1.148 307 Y CB -0.326 38.147 38.460 0.022 0.000 0.972 307 Y HN 0.144 nan 8.280 nan 0.000 0.504 308 A N -0.182 122.714 122.820 0.127 0.000 2.076 308 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 308 A C 1.794 179.352 177.584 -0.042 0.000 1.160 308 A CA 1.779 53.839 52.037 0.039 0.000 0.653 308 A CB -0.437 18.609 19.000 0.076 0.000 0.801 308 A HN 0.513 nan 8.150 nan 0.000 0.455 309 E N -1.299 118.876 120.200 -0.042 0.000 2.465 309 E HA 0.226 4.576 4.350 -0.000 0.000 0.191 309 E C 1.115 177.662 176.600 -0.088 0.000 1.053 309 E CA 0.598 56.964 56.400 -0.056 0.000 0.869 309 E CB -0.129 29.544 29.700 -0.046 0.000 0.977 309 E HN 0.771 nan 8.360 nan 0.000 0.483 310 G N 0.486 109.194 108.800 -0.153 0.000 2.141 310 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.242 310 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.242 310 G C 0.147 174.967 174.900 -0.133 0.000 0.982 310 G CA 0.284 45.276 45.100 -0.180 0.000 0.662 310 G HN 0.138 nan 8.290 nan 0.000 0.527 311 V N 0.354 120.219 119.914 -0.081 0.000 2.487 311 V HA 0.824 4.944 4.120 -0.000 0.000 0.298 311 V C 0.394 176.531 176.094 0.071 0.000 1.028 311 V CA -0.388 61.914 62.300 0.003 0.000 0.860 311 V CB 1.804 33.671 31.823 0.073 0.000 0.991 311 V HN 1.202 nan 8.190 nan 0.000 0.427 312 A N 5.088 127.954 122.820 0.077 0.000 2.249 312 A HA 0.841 5.161 4.320 -0.000 0.000 0.314 312 A C -0.292 177.349 177.584 0.095 0.000 1.290 312 A CA -0.398 51.728 52.037 0.148 0.000 0.893 312 A CB 0.882 19.976 19.000 0.157 0.000 1.165 312 A HN 1.337 nan 8.150 nan 0.000 0.530 313 V N -0.599 119.385 119.914 0.116 0.000 3.155 313 V HA 0.999 5.119 4.120 -0.000 0.000 0.313 313 V C 0.131 176.270 176.094 0.074 0.000 1.162 313 V CA -0.555 61.789 62.300 0.074 0.000 1.048 313 V CB 1.358 33.239 31.823 0.097 0.000 1.092 313 V HN 1.495 nan 8.190 nan 0.000 0.447 314 A N 0.301 123.154 122.820 0.054 0.000 2.320 314 A HA 0.966 5.286 4.320 -0.000 0.000 0.334 314 A C 0.403 178.016 177.584 0.048 0.000 1.147 314 A CA -0.037 52.030 52.037 0.050 0.000 0.820 314 A CB 1.036 20.065 19.000 0.048 0.000 1.218 314 A HN 1.857 nan 8.150 nan 0.000 0.482 315 G N -0.137 108.685 108.800 0.037 0.000 2.543 315 G HA2 0.520 4.480 3.960 -0.000 0.000 0.267 315 G HA3 0.520 4.480 3.960 -0.000 0.000 0.267 315 G C 0.546 175.449 174.900 0.006 0.000 1.406 315 G CA -0.108 45.008 45.100 0.026 0.000 1.048 315 G HN 1.182 nan 8.290 nan 0.000 0.548 316 G N -1.592 107.196 108.800 -0.019 0.000 2.651 316 G HA2 0.455 4.415 3.960 -0.000 0.000 0.260 316 G HA3 0.455 4.415 3.960 -0.000 0.000 0.260 316 G C -0.833 174.050 174.900 -0.027 0.000 1.216 316 G CA -0.332 44.738 45.100 -0.050 0.000 0.913 316 G HN 0.712 nan 8.290 nan 0.000 0.535 317 I N -0.821 119.726 120.570 -0.038 0.000 2.722 317 I HA 0.515 4.685 4.170 -0.000 0.000 0.292 317 I C 0.812 176.884 176.117 -0.076 0.000 1.267 317 I CA 0.562 61.839 61.300 -0.039 0.000 1.036 317 I CB 1.546 39.548 38.000 0.003 0.000 1.281 317 I HN 1.226 nan 8.210 nan 0.000 0.423 318 G N 7.726 116.472 108.800 -0.089 0.000 2.596 318 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.304 318 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.304 318 G C -1.560 173.310 174.900 -0.051 0.000 1.189 318 G CA 0.366 45.411 45.100 -0.091 0.000 0.986 318 G HN 0.533 nan 8.290 nan 0.000 0.548 319 P HA -0.021 nan 4.420 nan 0.000 0.225 319 P C 1.429 178.723 177.300 -0.009 0.000 1.148 319 P CA 2.753 65.856 63.100 0.005 0.000 0.779 319 P CB -0.347 31.382 31.700 0.048 0.000 0.780 320 T N -4.882 109.631 114.554 -0.069 0.000 3.176 320 T HA 0.322 4.672 4.350 -0.000 0.000 0.263 320 T C 0.956 175.590 174.700 -0.110 0.000 1.021 320 T CA -0.445 61.560 62.100 -0.157 0.000 0.905 320 T CB -0.866 67.779 68.868 -0.371 0.000 1.057 320 T HN 0.078 nan 8.240 nan 0.000 0.558 321 R N 0.650 121.113 120.500 -0.062 0.000 2.537 321 R HA 0.496 4.836 4.340 -0.000 0.000 0.281 321 R C 1.751 178.032 176.300 -0.033 0.000 0.988 321 R CA 0.473 56.548 56.100 -0.042 0.000 1.077 321 R CB -1.756 28.525 30.300 -0.031 0.000 0.932 321 R HN 1.394 nan 8.270 nan 0.000 0.409 322 G N 0.989 109.773 108.800 -0.026 0.000 2.196 322 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.268 322 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.268 322 G C 0.905 175.797 174.900 -0.013 0.000 0.975 322 G CA 1.099 46.191 45.100 -0.015 0.000 0.648 322 G HN 0.824 nan 8.290 nan 0.000 0.538 323 Q N -1.048 118.734 119.800 -0.031 0.000 2.350 323 Q HA 0.501 4.841 4.340 -0.000 0.000 0.225 323 Q C 1.117 177.103 176.000 -0.023 0.000 0.878 323 Q CA 0.869 56.660 55.803 -0.019 0.000 0.935 323 Q CB 1.210 29.938 28.738 -0.017 0.000 1.099 323 Q HN 1.101 nan 8.270 nan 0.000 0.527 324 V N -3.352 116.531 119.914 -0.050 0.000 3.112 324 V HA 0.619 4.739 4.120 -0.000 0.000 0.310 324 V C -1.743 174.366 176.094 0.024 0.000 1.364 324 V CA -1.298 60.990 62.300 -0.019 0.000 1.058 324 V CB 1.585 33.331 31.823 -0.127 0.000 1.079 324 V HN -0.088 nan 8.190 nan 0.000 0.463 325 L N 1.196 122.459 121.223 0.066 0.000 2.386 325 L HA 0.740 5.080 4.340 -0.000 0.000 0.271 325 L C -0.084 176.813 176.870 0.044 0.000 0.993 325 L CA -0.378 54.514 54.840 0.086 0.000 0.819 325 L CB 2.038 44.200 42.059 0.171 0.000 1.294 325 L HN 0.688 nan 8.230 nan 0.000 0.414 326 R N 4.163 124.680 120.500 0.029 0.000 2.337 326 R HA 0.656 4.996 4.340 -0.000 0.000 0.319 326 R C -1.396 174.901 176.300 -0.005 0.000 0.954 326 R CA -0.654 55.454 56.100 0.013 0.000 0.840 326 R CB 1.322 31.637 30.300 0.025 0.000 1.164 326 R HN 0.471 nan 8.270 nan 0.000 0.472 327 L N 1.939 123.136 121.223 -0.044 0.000 2.282 327 L HA 0.495 4.835 4.340 -0.000 0.000 0.288 327 L C 0.918 177.783 176.870 -0.009 0.000 1.033 327 L CA -0.937 53.865 54.840 -0.064 0.000 0.807 327 L CB 1.688 43.645 42.059 -0.169 0.000 1.209 327 L HN 0.664 nan 8.230 nan 0.000 0.423 328 G N 3.501 112.322 108.800 0.036 0.000 2.380 328 G HA2 0.483 4.443 3.960 -0.000 0.000 0.262 328 G HA3 0.483 4.443 3.960 -0.000 0.000 0.262 328 G C 0.014 174.971 174.900 0.095 0.000 1.243 328 G CA -0.344 44.784 45.100 0.046 0.000 0.865 328 G HN 0.632 nan 8.290 nan 0.000 0.513 329 L N 2.744 123.992 121.223 0.042 0.000 3.186 329 L HA 0.332 4.672 4.340 -0.000 0.000 0.292 329 L C 0.253 177.139 176.870 0.027 0.000 1.303 329 L CA -0.044 54.818 54.840 0.037 0.000 0.940 329 L CB 0.003 42.059 42.059 -0.005 0.000 1.358 329 L HN 0.406 nan 8.230 nan 0.000 0.581 330 M N -0.389 119.223 119.600 0.021 0.000 2.436 330 M HA 0.559 5.039 4.480 -0.000 0.000 0.331 330 M C 1.190 177.490 176.300 -0.001 0.000 1.135 330 M CA -0.127 55.169 55.300 -0.007 0.000 0.987 330 M CB 1.888 34.471 32.600 -0.027 0.000 1.687 330 M HN 0.236 nan 8.290 nan 0.000 0.445 331 G N 1.677 110.469 108.800 -0.014 0.000 2.634 331 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.309 331 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.309 331 G C 0.538 175.444 174.900 0.011 0.000 1.265 331 G CA 0.201 45.295 45.100 -0.010 0.000 0.998 331 G HN 0.737 nan 8.290 nan 0.000 0.551 332 E N 1.932 122.140 120.200 0.013 0.000 2.510 332 E HA -0.006 4.344 4.350 -0.000 0.000 0.202 332 E C 2.446 179.074 176.600 0.048 0.000 1.072 332 E CA 1.226 57.641 56.400 0.025 0.000 0.883 332 E CB -0.797 28.912 29.700 0.016 0.000 0.818 332 E HN 0.671 nan 8.360 nan 0.000 0.548 333 G N 1.143 109.978 108.800 0.058 0.000 2.421 333 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.217 333 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.217 333 G C 1.044 176.069 174.900 0.209 0.000 1.143 333 G CA 0.459 45.626 45.100 0.112 0.000 0.784 333 G HN 0.299 nan 8.290 nan 0.000 0.541 334 A N 1.105 124.002 122.820 0.127 0.000 3.063 334 A HA 0.572 4.892 4.320 -0.000 0.000 0.263 334 A C 0.208 177.866 177.584 0.123 0.000 1.736 334 A CA -0.227 51.879 52.037 0.114 0.000 1.408 334 A CB -0.180 18.853 19.000 0.055 0.000 1.108 334 A HN 0.132 nan 8.150 nan 0.000 0.621 335 R N -0.383 120.235 120.500 0.197 0.000 2.686 335 R HA 0.566 4.905 4.340 -0.000 0.000 0.283 335 R C 1.227 177.669 176.300 0.237 0.000 0.978 335 R CA 0.001 56.195 56.100 0.156 0.000 0.897 335 R CB 1.116 31.480 30.300 0.107 0.000 1.192 335 R HN 0.467 nan 8.270 nan 0.000 0.457 336 R N 1.828 122.413 120.500 0.141 0.000 2.066 336 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 336 R C 2.105 178.518 176.300 0.188 0.000 1.131 336 R CA 2.504 58.679 56.100 0.124 0.000 0.955 336 R CB -1.551 28.672 30.300 -0.128 0.000 0.851 336 R HN 0.803 nan 8.270 nan 0.000 0.432 337 E N 0.561 120.822 120.200 0.103 0.000 2.085 337 E HA 0.026 4.376 4.350 -0.000 0.000 0.194 337 E C 2.550 179.222 176.600 0.121 0.000 0.994 337 E CA 2.064 58.520 56.400 0.093 0.000 0.801 337 E CB -0.977 28.752 29.700 0.047 0.000 0.743 337 E HN 0.941 nan 8.360 nan 0.000 0.453 338 A N -0.617 122.272 122.820 0.115 0.000 1.865 338 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 338 A C 2.278 179.860 177.584 -0.003 0.000 1.191 338 A CA 1.692 53.746 52.037 0.029 0.000 0.623 338 A CB -0.670 18.324 19.000 -0.010 0.000 0.826 338 A HN 0.598 nan 8.150 nan 0.000 0.444 339 Y N 0.109 120.531 120.300 0.203 0.000 2.516 339 Y HA -0.081 4.469 4.550 -0.000 0.000 0.291 339 Y C 2.644 178.744 175.900 0.333 0.000 1.131 339 Y CA 1.322 59.569 58.100 0.244 0.000 1.281 339 Y CB -0.080 38.478 38.460 0.164 0.000 1.013 339 Y HN 0.443 nan 8.280 nan 0.000 0.554 340 Q N -0.700 119.388 119.800 0.480 0.000 2.123 340 Q HA -0.120 4.220 4.340 -0.000 0.000 0.199 340 Q C 2.505 178.625 176.000 0.200 0.000 0.966 340 Q CA 1.113 57.158 55.803 0.404 0.000 0.845 340 Q CB -0.182 28.742 28.738 0.310 0.000 0.907 340 Q HN 0.497 nan 8.270 nan 0.000 0.439 341 A N 0.498 123.403 122.820 0.141 0.000 1.969 341 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 341 A C 1.815 179.426 177.584 0.045 0.000 1.169 341 A CA 0.808 52.883 52.037 0.063 0.000 0.635 341 A CB -0.646 18.374 19.000 0.033 0.000 0.810 341 A HN 0.455 nan 8.150 nan 0.000 0.445 342 F N 0.891 120.787 119.950 -0.090 0.000 2.095 342 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 342 F C 1.809 177.566 175.800 -0.073 0.000 1.104 342 F CA 1.824 59.742 58.000 -0.135 0.000 1.232 342 F CB -0.418 38.427 39.000 -0.259 0.000 0.987 342 F HN 0.141 nan 8.300 nan 0.000 0.475 343 L N 0.511 121.630 121.223 -0.174 0.000 2.083 343 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 343 L C 2.875 179.618 176.870 -0.213 0.000 1.083 343 L CA 1.754 56.424 54.840 -0.283 0.000 0.752 343 L CB -1.376 40.638 42.059 -0.075 0.000 0.899 343 L HN 0.255 nan 8.230 nan 0.000 0.433 344 K N 0.372 120.708 120.400 -0.107 0.000 2.025 344 K HA -0.031 4.289 4.320 -0.000 0.000 0.207 344 K C 2.228 178.762 176.600 -0.110 0.000 1.049 344 K CA 1.452 57.695 56.287 -0.073 0.000 0.933 344 K CB -1.222 31.263 32.500 -0.025 0.000 0.714 344 K HN 0.408 nan 8.250 nan 0.000 0.438 345 A N 0.566 123.299 122.820 -0.145 0.000 1.898 345 A HA 0.095 4.415 4.320 -0.000 0.000 0.216 345 A C 2.393 179.863 177.584 -0.189 0.000 1.181 345 A CA 1.645 53.598 52.037 -0.141 0.000 0.620 345 A CB -0.413 18.514 19.000 -0.122 0.000 0.819 345 A HN 0.553 nan 8.150 nan 0.000 0.442 346 L N 0.148 121.161 121.223 -0.351 0.000 2.046 346 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 346 L C 1.513 178.285 176.870 -0.162 0.000 1.077 346 L CA 2.509 57.138 54.840 -0.352 0.000 0.747 346 L CB -0.605 41.050 42.059 -0.672 0.000 0.896 346 L HN 0.332 nan 8.230 nan 0.000 0.432 347 D N -0.739 119.576 120.400 -0.141 0.000 2.178 347 D HA -0.123 4.517 4.640 -0.000 0.000 0.202 347 D C 2.286 178.558 176.300 -0.046 0.000 0.974 347 D CA 0.822 54.782 54.000 -0.066 0.000 0.841 347 D CB -0.041 40.727 40.800 -0.053 0.000 0.953 347 D HN 0.421 nan 8.370 nan 0.000 0.478 348 R N 0.663 121.128 120.500 -0.058 0.000 2.075 348 R HA 0.006 4.346 4.340 -0.000 0.000 0.232 348 R C 2.265 178.547 176.300 -0.029 0.000 1.126 348 R CA 1.099 57.176 56.100 -0.038 0.000 0.963 348 R CB -0.204 30.071 30.300 -0.041 0.000 0.858 348 R HN 0.077 nan 8.270 nan 0.000 0.435 349 A N 1.356 124.154 122.820 -0.036 0.000 1.898 349 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 349 A C 2.177 179.759 177.584 -0.003 0.000 1.181 349 A CA 1.056 53.084 52.037 -0.014 0.000 0.620 349 A CB -0.507 18.485 19.000 -0.012 0.000 0.819 349 A HN 0.166 nan 8.150 nan 0.000 0.442 350 L N -0.772 120.450 121.223 -0.002 0.000 2.201 350 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 350 L C 2.986 179.854 176.870 -0.003 0.000 1.105 350 L CA 0.739 55.583 54.840 0.006 0.000 0.775 350 L CB -0.487 41.586 42.059 0.023 0.000 0.913 350 L HN 0.455 nan 8.230 nan 0.000 0.440 351 A N 0.199 123.015 122.820 -0.006 0.000 1.930 351 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 351 A C 1.434 179.015 177.584 -0.005 0.000 1.175 351 A CA 0.708 52.741 52.037 -0.006 0.000 0.627 351 A CB -0.449 18.546 19.000 -0.008 0.000 0.815 351 A HN 0.239 nan 8.150 nan 0.000 0.443 352 L N 0.000 121.220 121.223 -0.004 0.000 2.949 352 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 352 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 352 L CB 0.000 42.059 42.059 0.001 0.000 0.961 352 L HN 0.000 nan 8.230 nan 0.000 0.502