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 1wnd_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQHKLLINGE LVSGEGEKQP VYNPATGDVL LEIAEASAEQ VDAAVRAADA DATA SEQUENCE AFAEWGQTTP KVRAECLLKL ADVIEENGQV FAELESRNCG KPLHSAFNDE DATA SEQUENCE IPAIVDVFRF FAGAARCLNG LAAGEYLEGH TSMIRRDPLG VVASIAPWNY DATA SEQUENCE PLMMAAWKLA PALAAGNCVV LKPSEITPLT ALKLAELAKD IFPAGVVNIL DATA SEQUENCE FGRGKTVGDP LTGHPKVRMV SLTGSIATGE HIISHTASSI KRTHMELGGK DATA SEQUENCE APVIVFDDAD IEAVVEGVRT FGYYNAGQDC TAACRIYAQK GIYDTLVEKL DATA SEQUENCE GAAVATLKSG APDDESTELG PLSSLAHLER VGKAVEEAKA TGHIKVITGG DATA SEQUENCE EKRKGNGYYY APTLLAGALQ DDAIVQKEVF GPVVSVTPFD NEEQVVNWAN DATA SEQUENCE DSQYGLASSV WTKDVGRAHR VSARLQYGCT WVNTHFMLVS EMPHGGQKLS DATA SEQUENCE GYGKDMSLYG LEDYTVVRHV MVKH 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 0.000 176.358 176.300 0.097 0.000 1.140 1 M CA 0.000 55.316 55.300 0.027 0.000 0.988 1 M CB 0.000 32.615 32.600 0.025 0.000 1.302 2 Q N 3.550 123.376 119.800 0.043 0.000 2.313 2 Q HA 0.205 4.545 4.340 -0.000 0.000 0.266 2 Q C 0.470 176.498 176.000 0.046 0.000 0.989 2 Q CA 0.925 56.738 55.803 0.018 0.000 0.890 2 Q CB 0.417 29.135 28.738 -0.034 0.000 1.200 2 Q HN 0.602 nan 8.270 nan 0.000 0.396 3 H N -0.200 118.830 119.070 -0.067 0.000 3.182 3 H HA 0.331 4.887 4.556 -0.000 0.000 0.254 3 H C -0.528 174.757 175.328 -0.072 0.000 1.197 3 H CA -0.435 55.551 56.048 -0.102 0.000 1.061 3 H CB 0.814 30.509 29.762 -0.112 0.000 1.722 3 H HN 0.225 nan 8.280 nan 0.000 0.662 4 K N 1.779 121.989 120.400 -0.318 0.000 2.098 4 K HA 0.424 4.744 4.320 -0.000 0.000 0.258 4 K C 0.199 176.757 176.600 -0.070 0.000 0.973 4 K CA -0.791 55.373 56.287 -0.205 0.000 0.898 4 K CB 2.538 34.898 32.500 -0.233 0.000 1.057 4 K HN 0.068 nan 8.250 nan 0.000 0.447 5 L N 1.723 122.935 121.223 -0.017 0.000 2.439 5 L HA 0.364 4.704 4.340 -0.000 0.000 0.261 5 L C 0.352 177.223 176.870 0.000 0.000 1.153 5 L CA -0.670 54.182 54.840 0.020 0.000 0.808 5 L CB 0.273 42.361 42.059 0.049 0.000 1.126 5 L HN 0.323 nan 8.230 nan 0.000 0.460 6 L N 3.914 125.141 121.223 0.007 0.000 2.276 6 L HA 0.542 4.882 4.340 -0.000 0.000 0.286 6 L C -0.906 175.960 176.870 -0.007 0.000 1.024 6 L CA -0.246 54.591 54.840 -0.004 0.000 0.826 6 L CB 0.759 42.814 42.059 -0.006 0.000 1.211 6 L HN 0.546 nan 8.230 nan 0.000 0.422 7 I N 4.957 125.522 120.570 -0.008 0.000 2.468 7 I HA 0.247 4.417 4.170 -0.000 0.000 0.285 7 I C 0.061 176.170 176.117 -0.013 0.000 1.039 7 I CA -0.668 60.625 61.300 -0.011 0.000 1.074 7 I CB 1.637 39.636 38.000 -0.001 0.000 1.228 7 I HN 0.637 nan 8.210 nan 0.000 0.436 8 N N 4.963 123.650 118.700 -0.021 0.000 2.725 8 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 8 N C 0.804 176.306 175.510 -0.013 0.000 1.031 8 N CA 1.387 54.427 53.050 -0.017 0.000 0.720 8 N CB -0.687 37.795 38.487 -0.008 0.000 0.930 8 N HN 1.149 nan 8.380 nan 0.000 0.543 9 G N -1.704 107.086 108.800 -0.016 0.000 2.184 9 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.264 9 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.264 9 G C -0.359 174.536 174.900 -0.007 0.000 0.975 9 G CA 0.683 45.778 45.100 -0.009 0.000 0.642 9 G HN 0.545 nan 8.290 nan 0.000 0.536 10 E N -0.480 119.714 120.200 -0.009 0.000 2.256 10 E HA 0.600 4.950 4.350 -0.000 0.000 0.267 10 E C -0.008 176.583 176.600 -0.015 0.000 0.892 10 E CA -0.818 55.576 56.400 -0.010 0.000 0.775 10 E CB 1.715 31.411 29.700 -0.007 0.000 1.207 10 E HN 0.244 nan 8.360 nan 0.000 0.420 11 L N 2.202 123.411 121.223 -0.023 0.000 2.260 11 L HA 0.368 4.708 4.340 -0.000 0.000 0.289 11 L C 0.077 176.923 176.870 -0.039 0.000 1.057 11 L CA -0.848 53.970 54.840 -0.037 0.000 0.811 11 L CB 0.813 42.840 42.059 -0.053 0.000 1.184 11 L HN 0.244 nan 8.230 nan 0.000 0.429 12 V N -0.145 119.750 119.914 -0.032 0.000 2.962 12 V HA 0.576 4.696 4.120 -0.000 0.000 0.313 12 V C 0.095 176.178 176.094 -0.018 0.000 1.099 12 V CA -0.678 61.609 62.300 -0.021 0.000 0.971 12 V CB 1.891 33.714 31.823 -0.000 0.000 1.028 12 V HN 0.599 nan 8.190 nan 0.000 0.430 13 S N 1.892 117.590 115.700 -0.004 0.000 2.576 13 S HA 0.552 5.022 4.470 -0.000 0.000 0.276 13 S C 0.717 175.352 174.600 0.057 0.000 1.339 13 S CA 0.305 58.524 58.200 0.031 0.000 1.039 13 S CB 1.013 64.248 63.200 0.058 0.000 0.902 13 S HN 1.502 nan 8.310 nan 0.000 0.516 14 G N 0.977 109.832 108.800 0.091 0.000 2.491 14 G HA2 0.185 4.145 3.960 -0.000 0.000 0.238 14 G HA3 0.185 4.145 3.960 -0.000 0.000 0.238 14 G C 0.112 175.064 174.900 0.086 0.000 1.277 14 G CA -0.330 44.835 45.100 0.107 0.000 0.851 14 G HN 0.823 nan 8.290 nan 0.000 0.573 15 E N 0.825 121.068 120.200 0.071 0.000 2.526 15 E HA 0.170 4.520 4.350 -0.000 0.000 0.208 15 E C 1.438 178.070 176.600 0.052 0.000 0.997 15 E CA -0.141 56.292 56.400 0.055 0.000 0.961 15 E CB 0.882 30.608 29.700 0.043 0.000 1.030 15 E HN 0.530 nan 8.360 nan 0.000 0.483 16 G N 0.930 109.767 108.800 0.062 0.000 2.531 16 G HA2 0.176 4.136 3.960 -0.000 0.000 0.281 16 G HA3 0.176 4.136 3.960 -0.000 0.000 0.281 16 G C -0.220 174.715 174.900 0.057 0.000 1.382 16 G CA -0.569 44.561 45.100 0.050 0.000 1.045 16 G HN -0.019 nan 8.290 nan 0.000 0.533 17 E N 0.168 120.396 120.200 0.046 0.000 2.373 17 E HA 0.135 4.485 4.350 -0.000 0.000 0.267 17 E C -0.094 176.552 176.600 0.076 0.000 1.032 17 E CA 0.136 56.565 56.400 0.048 0.000 0.889 17 E CB 0.942 30.661 29.700 0.031 0.000 0.984 17 E HN 0.194 nan 8.360 nan 0.000 0.425 18 K N 2.118 122.561 120.400 0.070 0.000 2.295 18 K HA 0.067 4.387 4.320 -0.000 0.000 0.270 18 K C -0.230 176.429 176.600 0.099 0.000 1.011 18 K CA 0.136 56.475 56.287 0.088 0.000 0.953 18 K CB 0.618 33.144 32.500 0.043 0.000 0.956 18 K HN 0.255 nan 8.250 nan 0.000 0.477 19 Q N 2.549 122.441 119.800 0.153 0.000 2.305 19 Q HA 0.324 4.664 4.340 -0.000 0.000 0.271 19 Q C -2.643 173.428 176.000 0.119 0.000 1.046 19 Q CA -2.058 53.845 55.803 0.166 0.000 0.798 19 Q CB 2.029 30.937 28.738 0.283 0.000 1.286 19 Q HN 0.255 nan 8.270 nan 0.000 0.435 20 P HA 0.193 nan 4.420 nan 0.000 0.279 20 P C -0.949 176.304 177.300 -0.078 0.000 1.239 20 P CA -0.278 62.762 63.100 -0.101 0.000 0.789 20 P CB 1.234 32.809 31.700 -0.207 0.000 0.933 21 V N 4.684 124.503 119.914 -0.158 0.000 2.448 21 V HA 0.310 4.430 4.120 -0.000 0.000 0.295 21 V C -0.315 175.696 176.094 -0.139 0.000 1.025 21 V CA -0.494 61.778 62.300 -0.045 0.000 0.859 21 V CB 0.826 32.633 31.823 -0.027 0.000 0.988 21 V HN 0.438 nan 8.190 nan 0.000 0.431 22 Y N 2.249 122.574 120.300 0.042 0.000 2.419 22 Y HA 0.357 4.907 4.550 -0.000 0.000 0.328 22 Y C 0.673 176.579 175.900 0.011 0.000 1.162 22 Y CA -0.508 57.615 58.100 0.038 0.000 1.174 22 Y CB 1.286 39.804 38.460 0.097 0.000 1.228 22 Y HN 0.635 nan 8.280 nan 0.000 0.473 23 N N 3.799 122.588 118.700 0.149 0.000 2.462 23 N HA 0.192 4.932 4.740 -0.000 0.000 0.242 23 N C -1.969 173.507 175.510 -0.056 0.000 1.010 23 N CA -1.929 51.143 53.050 0.037 0.000 0.939 23 N CB 0.993 39.482 38.487 0.004 0.000 1.127 23 N HN 0.309 nan 8.380 nan 0.000 0.509 24 P HA -0.130 nan 4.420 nan 0.000 0.222 24 P C 0.666 177.673 177.300 -0.489 0.000 1.147 24 P CA 0.801 63.703 63.100 -0.331 0.000 0.790 24 P CB 0.242 31.889 31.700 -0.089 0.000 0.780 25 A N -0.011 122.658 122.820 -0.252 0.000 2.072 25 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 25 A C 2.022 179.577 177.584 -0.048 0.000 1.156 25 A CA 1.899 53.859 52.037 -0.127 0.000 0.701 25 A CB -1.134 17.867 19.000 0.003 0.000 0.816 25 A HN 0.371 nan 8.150 nan 0.000 0.458 26 T N -6.281 108.199 114.554 -0.124 0.000 2.959 26 T HA 0.422 4.772 4.350 -0.000 0.000 0.254 26 T C 1.395 176.020 174.700 -0.124 0.000 1.003 26 T CA 1.101 63.154 62.100 -0.078 0.000 0.950 26 T CB 0.298 69.149 68.868 -0.029 0.000 1.090 26 T HN 1.598 nan 8.240 nan 0.000 0.503 27 G N 1.592 110.246 108.800 -0.244 0.000 2.148 27 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.254 27 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.254 27 G C -0.450 174.537 174.900 0.146 0.000 0.981 27 G CA 0.156 45.162 45.100 -0.155 0.000 0.670 27 G HN 0.594 nan 8.290 nan 0.000 0.528 28 D N -0.410 120.056 120.400 0.109 0.000 2.229 28 D HA 0.520 5.160 4.640 -0.000 0.000 0.249 28 D C 0.682 177.030 176.300 0.081 0.000 1.027 28 D CA -0.406 53.658 54.000 0.107 0.000 0.923 28 D CB 1.821 42.638 40.800 0.029 0.000 1.174 28 D HN 0.059 nan 8.370 nan 0.000 0.443 29 V N 2.798 122.672 119.914 -0.066 0.000 2.508 29 V HA 0.044 4.164 4.120 -0.000 0.000 0.281 29 V C 1.584 177.586 176.094 -0.153 0.000 1.041 29 V CA 0.015 62.148 62.300 -0.280 0.000 1.016 29 V CB 0.938 32.567 31.823 -0.324 0.000 0.984 29 V HN 0.459 nan 8.190 nan 0.000 0.478 30 L N 5.323 126.459 121.223 -0.145 0.000 2.127 30 L HA 0.142 4.482 4.340 -0.000 0.000 0.203 30 L C 0.079 176.884 176.870 -0.108 0.000 1.080 30 L CA 0.901 55.687 54.840 -0.090 0.000 0.768 30 L CB 0.148 42.172 42.059 -0.058 0.000 0.924 30 L HN 0.638 nan 8.230 nan 0.000 0.444 31 L N -4.359 116.781 121.223 -0.140 0.000 3.075 31 L HA 0.409 4.749 4.340 -0.000 0.000 0.274 31 L C -1.277 175.505 176.870 -0.147 0.000 1.006 31 L CA -1.368 53.387 54.840 -0.142 0.000 0.972 31 L CB 1.107 43.081 42.059 -0.142 0.000 1.515 31 L HN -0.136 nan 8.230 nan 0.000 0.402 32 E N 1.069 121.190 120.200 -0.131 0.000 2.166 32 E HA 0.798 5.148 4.350 -0.000 0.000 0.275 32 E C -1.009 175.534 176.600 -0.095 0.000 0.941 32 E CA -0.554 55.792 56.400 -0.090 0.000 0.784 32 E CB 2.471 32.132 29.700 -0.066 0.000 1.115 32 E HN 0.527 nan 8.360 nan 0.000 0.399 33 I N 1.980 122.521 120.570 -0.048 0.000 2.465 33 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 33 I C -0.118 176.083 176.117 0.140 0.000 1.014 33 I CA -1.043 60.221 61.300 -0.060 0.000 1.093 33 I CB 1.902 39.675 38.000 -0.377 0.000 1.267 33 I HN 0.514 nan 8.210 nan 0.000 0.431 34 A N 5.974 128.876 122.820 0.138 0.000 2.492 34 A HA 0.261 4.581 4.320 -0.000 0.000 0.254 34 A C 0.380 178.153 177.584 0.315 0.000 1.091 34 A CA -0.237 51.911 52.037 0.185 0.000 0.768 34 A CB 0.026 19.102 19.000 0.127 0.000 1.028 34 A HN 0.833 nan 8.150 nan 0.000 0.498 35 E N 2.160 122.536 120.200 0.293 0.000 2.351 35 E HA 0.595 4.945 4.350 -0.000 0.000 0.255 35 E C 0.210 176.897 176.600 0.145 0.000 1.188 35 E CA -0.434 56.120 56.400 0.257 0.000 0.940 35 E CB 0.790 30.451 29.700 -0.065 0.000 1.094 35 E HN 0.695 nan 8.360 nan 0.000 0.474 36 A N 1.354 124.235 122.820 0.102 0.000 2.462 36 A HA 0.246 4.566 4.320 -0.000 0.000 0.243 36 A C 0.399 178.010 177.584 0.044 0.000 1.076 36 A CA -0.028 52.053 52.037 0.073 0.000 0.773 36 A CB 0.011 19.047 19.000 0.059 0.000 1.010 36 A HN 0.669 nan 8.150 nan 0.000 0.493 37 S N 1.497 117.224 115.700 0.045 0.000 2.655 37 S HA 0.534 5.004 4.470 -0.000 0.000 0.265 37 S C 1.341 175.962 174.600 0.035 0.000 1.240 37 S CA -0.152 58.069 58.200 0.036 0.000 0.986 37 S CB 1.092 64.314 63.200 0.036 0.000 0.985 37 S HN 1.590 nan 8.310 nan 0.000 0.562 38 A N 1.163 124.003 122.820 0.033 0.000 1.908 38 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 38 A C 2.270 179.883 177.584 0.048 0.000 1.181 38 A CA 1.611 53.672 52.037 0.040 0.000 0.627 38 A CB -1.081 17.940 19.000 0.034 0.000 0.818 38 A HN 0.970 nan 8.150 nan 0.000 0.445 39 E N 0.387 120.612 120.200 0.042 0.000 2.110 39 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 39 E C 1.783 178.410 176.600 0.044 0.000 0.988 39 E CA 1.601 58.027 56.400 0.043 0.000 0.804 39 E CB -0.681 29.040 29.700 0.035 0.000 0.745 39 E HN 0.788 nan 8.360 nan 0.000 0.458 40 Q N 0.633 120.458 119.800 0.040 0.000 2.123 40 Q HA -0.034 4.306 4.340 -0.000 0.000 0.199 40 Q C 2.523 178.543 176.000 0.034 0.000 0.966 40 Q CA 1.353 57.177 55.803 0.036 0.000 0.845 40 Q CB 0.046 28.808 28.738 0.039 0.000 0.907 40 Q HN 0.148 nan 8.270 nan 0.000 0.439 41 V N 1.408 121.348 119.914 0.043 0.000 2.287 41 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 41 V C 1.911 178.032 176.094 0.046 0.000 1.053 41 V CA 2.219 64.545 62.300 0.044 0.000 1.027 41 V CB -0.585 31.276 31.823 0.062 0.000 0.646 41 V HN 0.435 nan 8.190 nan 0.000 0.447 42 D N 0.288 120.740 120.400 0.087 0.000 2.117 42 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 42 D C 2.067 178.393 176.300 0.042 0.000 0.987 42 D CA 1.578 55.653 54.000 0.125 0.000 0.829 42 D CB -0.188 40.704 40.800 0.153 0.000 0.961 42 D HN 0.373 nan 8.370 nan 0.000 0.460 43 A N 0.273 123.112 122.820 0.032 0.000 1.972 43 A HA 0.069 4.389 4.320 -0.000 0.000 0.219 43 A C 2.355 179.930 177.584 -0.015 0.000 1.169 43 A CA 2.024 54.069 52.037 0.013 0.000 0.635 43 A CB -0.955 18.056 19.000 0.019 0.000 0.810 43 A HN 0.350 nan 8.150 nan 0.000 0.446 44 A N -0.658 122.148 122.820 -0.025 0.000 1.898 44 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 44 A C 2.206 179.737 177.584 -0.088 0.000 1.181 44 A CA 1.644 53.655 52.037 -0.043 0.000 0.620 44 A CB -0.796 18.186 19.000 -0.030 0.000 0.819 44 A HN 0.350 nan 8.150 nan 0.000 0.442 45 V N 0.105 119.924 119.914 -0.157 0.000 2.358 45 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 45 V C 2.630 178.597 176.094 -0.212 0.000 1.047 45 V CA 2.131 64.262 62.300 -0.281 0.000 1.035 45 V CB -0.798 30.610 31.823 -0.692 0.000 0.658 45 V HN 0.516 nan 8.190 nan 0.000 0.452 46 R N 0.193 120.606 120.500 -0.145 0.000 2.081 46 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 46 R C 2.421 178.710 176.300 -0.018 0.000 1.131 46 R CA 1.470 57.543 56.100 -0.045 0.000 0.960 46 R CB -0.586 29.720 30.300 0.011 0.000 0.856 46 R HN 0.532 nan 8.270 nan 0.000 0.436 47 A N 1.244 124.050 122.820 -0.024 0.000 1.930 47 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 47 A C 2.358 179.937 177.584 -0.008 0.000 1.175 47 A CA 1.581 53.612 52.037 -0.009 0.000 0.627 47 A CB -0.507 18.483 19.000 -0.016 0.000 0.815 47 A HN 0.391 nan 8.150 nan 0.000 0.443 48 A N -0.036 122.765 122.820 -0.032 0.000 1.898 48 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 48 A C 1.846 179.453 177.584 0.039 0.000 1.181 48 A CA 2.077 54.102 52.037 -0.021 0.000 0.620 48 A CB -0.696 18.267 19.000 -0.062 0.000 0.819 48 A HN 0.525 nan 8.150 nan 0.000 0.442 49 D N -0.278 120.131 120.400 0.016 0.000 2.117 49 D HA -0.042 4.598 4.640 -0.000 0.000 0.197 49 D C 1.989 178.373 176.300 0.138 0.000 0.987 49 D CA 1.602 55.643 54.000 0.067 0.000 0.829 49 D CB -0.159 40.659 40.800 0.030 0.000 0.961 49 D HN 0.340 nan 8.370 nan 0.000 0.460 50 A N 0.240 123.115 122.820 0.091 0.000 1.930 50 A HA 0.123 4.443 4.320 -0.000 0.000 0.217 50 A C 2.315 179.967 177.584 0.113 0.000 1.175 50 A CA 1.793 53.885 52.037 0.092 0.000 0.627 50 A CB -0.873 18.162 19.000 0.058 0.000 0.815 50 A HN 0.300 nan 8.150 nan 0.000 0.443 51 A N -1.444 121.443 122.820 0.112 0.000 2.015 51 A HA 0.022 4.342 4.320 -0.000 0.000 0.219 51 A C 1.901 179.619 177.584 0.223 0.000 1.163 51 A CA 1.308 53.419 52.037 0.124 0.000 0.646 51 A CB -0.675 18.361 19.000 0.060 0.000 0.806 51 A HN 0.613 nan 8.150 nan 0.000 0.448 52 F N 1.299 121.313 119.950 0.107 0.000 2.202 52 F HA -0.109 4.418 4.527 0.000 0.000 0.301 52 F C 2.426 178.311 175.800 0.140 0.000 1.082 52 F CA 0.722 58.817 58.000 0.159 0.000 1.313 52 F CB -0.504 38.564 39.000 0.112 0.000 1.024 52 F HN 0.271 nan 8.300 nan 0.000 0.495 53 A N 0.052 122.890 122.820 0.030 0.000 1.903 53 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 53 A C 2.187 179.694 177.584 -0.128 0.000 1.191 53 A CA 2.364 54.353 52.037 -0.079 0.000 0.638 53 A CB -0.849 18.162 19.000 0.018 0.000 0.823 53 A HN 0.587 nan 8.150 nan 0.000 0.451 54 E N -2.120 118.066 120.200 -0.024 0.000 2.075 54 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 54 E C 1.961 178.580 176.600 0.032 0.000 0.969 54 E CA 0.372 56.775 56.400 0.004 0.000 0.815 54 E CB -0.325 29.417 29.700 0.070 0.000 0.776 54 E HN 0.840 nan 8.360 nan 0.000 0.457 55 W N 1.673 122.919 121.300 -0.091 0.000 2.338 55 W HA -0.118 4.542 4.660 -0.000 0.000 0.304 55 W C 1.824 178.266 176.519 -0.127 0.000 1.212 55 W CA 1.582 58.901 57.345 -0.042 0.000 1.264 55 W CB -0.112 29.384 29.460 0.061 0.000 1.142 55 W HN 0.085 nan 8.180 nan 0.000 0.512 56 G N 0.022 108.610 108.800 -0.354 0.000 2.559 56 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 56 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 56 G C 1.351 176.006 174.900 -0.408 0.000 1.126 56 G CA 0.467 45.199 45.100 -0.614 0.000 0.778 56 G HN 0.410 nan 8.290 nan 0.000 0.543 57 Q N 0.193 119.799 119.800 -0.324 0.000 2.282 57 Q HA 0.064 4.404 4.340 -0.000 0.000 0.206 57 Q C 0.932 176.812 176.000 -0.201 0.000 0.878 57 Q CA 0.037 55.709 55.803 -0.218 0.000 0.944 57 Q CB 0.557 29.199 28.738 -0.161 0.000 1.100 57 Q HN 0.518 nan 8.270 nan 0.000 0.509 58 T N -0.060 114.325 114.554 -0.282 0.000 2.802 58 T HA 0.121 4.471 4.350 -0.000 0.000 0.305 58 T C 0.703 175.258 174.700 -0.242 0.000 1.053 58 T CA -0.434 61.503 62.100 -0.272 0.000 1.058 58 T CB 0.997 69.596 68.868 -0.447 0.000 0.988 58 T HN 0.133 nan 8.240 nan 0.000 0.539 59 T N -0.896 113.553 114.554 -0.174 0.000 2.882 59 T HA 0.324 4.674 4.350 -0.000 0.000 0.287 59 T C -1.870 172.741 174.700 -0.149 0.000 1.014 59 T CA -1.726 60.294 62.100 -0.133 0.000 1.049 59 T CB 0.501 69.317 68.868 -0.086 0.000 1.001 59 T HN 0.302 nan 8.240 nan 0.000 0.525 60 P HA -0.084 nan 4.420 nan 0.000 0.216 60 P C 1.561 178.824 177.300 -0.063 0.000 1.150 60 P CA 1.049 64.097 63.100 -0.086 0.000 0.837 60 P CB 0.078 31.743 31.700 -0.058 0.000 0.786 61 K N -0.081 120.286 120.400 -0.055 0.000 2.009 61 K HA -0.141 4.179 4.320 -0.000 0.000 0.210 61 K C 1.862 178.442 176.600 -0.033 0.000 1.049 61 K CA 1.562 57.827 56.287 -0.037 0.000 0.929 61 K CB -0.716 31.764 32.500 -0.033 0.000 0.714 61 K HN -0.112 nan 8.250 nan 0.000 0.440 62 V N 1.629 121.512 119.914 -0.051 0.000 2.343 62 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 62 V C 2.438 178.526 176.094 -0.011 0.000 1.051 62 V CA 1.822 64.100 62.300 -0.036 0.000 1.036 62 V CB -0.477 31.314 31.823 -0.054 0.000 0.654 62 V HN 0.368 nan 8.190 nan 0.000 0.451 63 R N 0.024 120.484 120.500 -0.067 0.000 2.075 63 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 63 R C 2.453 178.833 176.300 0.134 0.000 1.126 63 R CA 1.418 57.540 56.100 0.037 0.000 0.963 63 R CB -0.665 29.571 30.300 -0.106 0.000 0.858 63 R HN 0.522 nan 8.270 nan 0.000 0.435 64 A N 1.643 124.500 122.820 0.062 0.000 1.940 64 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 64 A C 1.936 179.558 177.584 0.064 0.000 1.176 64 A CA 1.566 53.646 52.037 0.071 0.000 0.631 64 A CB -0.369 18.646 19.000 0.024 0.000 0.814 64 A HN 0.357 nan 8.150 nan 0.000 0.446 65 E N -0.939 119.280 120.200 0.032 0.000 2.110 65 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 65 E C 2.066 178.652 176.600 -0.022 0.000 0.988 65 E CA 1.254 57.658 56.400 0.007 0.000 0.804 65 E CB -0.376 29.320 29.700 -0.007 0.000 0.745 65 E HN 0.700 nan 8.360 nan 0.000 0.458 66 C N 0.663 119.943 119.300 -0.033 0.000 2.429 66 C HA -0.102 4.358 4.460 -0.000 0.000 0.277 66 C C 2.581 177.491 174.990 -0.134 0.000 1.262 66 C CA 0.430 59.305 59.018 -0.239 0.000 1.733 66 C CB -0.882 26.613 27.740 -0.408 0.000 2.010 66 C HN 0.404 nan 8.230 nan 0.000 0.483 67 L N 0.200 121.499 121.223 0.127 0.000 2.083 67 L HA -0.160 4.179 4.340 -0.000 0.000 0.209 67 L C 2.511 179.471 176.870 0.150 0.000 1.083 67 L CA 1.347 56.339 54.840 0.254 0.000 0.752 67 L CB -0.554 41.718 42.059 0.355 0.000 0.899 67 L HN 0.399 nan 8.230 nan 0.000 0.433 68 L N -0.313 120.966 121.223 0.093 0.000 2.093 68 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 68 L C 2.681 179.566 176.870 0.024 0.000 1.085 68 L CA 1.200 56.082 54.840 0.070 0.000 0.755 68 L CB -0.436 41.652 42.059 0.050 0.000 0.904 68 L HN 0.239 nan 8.230 nan 0.000 0.435 69 K N 0.273 120.658 120.400 -0.024 0.000 2.057 69 K HA -0.232 4.088 4.320 -0.000 0.000 0.207 69 K C 2.155 178.718 176.600 -0.061 0.000 1.049 69 K CA 1.314 57.570 56.287 -0.052 0.000 0.931 69 K CB -0.065 32.371 32.500 -0.106 0.000 0.714 69 K HN 0.063 nan 8.250 nan 0.000 0.440 70 L N 1.032 122.198 121.223 -0.096 0.000 2.046 70 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 70 L C 2.188 178.948 176.870 -0.184 0.000 1.077 70 L CA 2.048 56.791 54.840 -0.162 0.000 0.747 70 L CB -0.858 41.046 42.059 -0.258 0.000 0.896 70 L HN 0.228 nan 8.230 nan 0.000 0.432 71 A N -0.745 122.018 122.820 -0.095 0.000 1.883 71 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 71 A C 2.032 179.651 177.584 0.058 0.000 1.186 71 A CA 2.056 54.120 52.037 0.044 0.000 0.624 71 A CB -0.955 18.151 19.000 0.176 0.000 0.822 71 A HN 0.514 nan 8.150 nan 0.000 0.444 72 D N -0.506 119.919 120.400 0.043 0.000 2.123 72 D HA -0.102 4.538 4.640 -0.000 0.000 0.196 72 D C 2.023 178.359 176.300 0.060 0.000 0.992 72 D CA 1.357 55.388 54.000 0.052 0.000 0.833 72 D CB -0.364 40.455 40.800 0.033 0.000 0.954 72 D HN 0.199 nan 8.370 nan 0.000 0.455 73 V N 0.868 120.806 119.914 0.041 0.000 2.343 73 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 73 V C 2.463 178.643 176.094 0.144 0.000 1.051 73 V CA 1.085 63.424 62.300 0.066 0.000 1.036 73 V CB -0.304 31.544 31.823 0.040 0.000 0.654 73 V HN 0.224 nan 8.190 nan 0.000 0.451 74 I N -0.166 120.494 120.570 0.151 0.000 2.179 74 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 74 I C 2.611 178.891 176.117 0.271 0.000 1.088 74 I CA 1.946 63.409 61.300 0.271 0.000 1.357 74 I CB -0.361 37.700 38.000 0.100 0.000 1.051 74 I HN 0.406 nan 8.210 nan 0.000 0.409 75 E N 1.187 121.496 120.200 0.181 0.000 2.058 75 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 75 E C 2.025 178.734 176.600 0.181 0.000 0.997 75 E CA 1.508 58.011 56.400 0.172 0.000 0.801 75 E CB 0.032 29.807 29.700 0.126 0.000 0.746 75 E HN 0.459 nan 8.360 nan 0.000 0.450 76 E N -0.127 120.157 120.200 0.141 0.000 2.160 76 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 76 E C 0.923 177.593 176.600 0.117 0.000 0.991 76 E CA 1.136 57.604 56.400 0.113 0.000 0.810 76 E CB -0.097 29.647 29.700 0.074 0.000 0.742 76 E HN 0.278 nan 8.360 nan 0.000 0.466 77 N N -0.340 118.449 118.700 0.148 0.000 2.279 77 N HA 0.068 4.808 4.740 -0.000 0.000 0.226 77 N C 1.121 176.756 175.510 0.207 0.000 1.126 77 N CA 0.128 53.229 53.050 0.086 0.000 0.846 77 N CB 0.872 39.322 38.487 -0.062 0.000 1.050 77 N HN 0.105 nan 8.380 nan 0.000 0.502 78 G N 0.766 109.760 108.800 0.323 0.000 2.513 78 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 78 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 78 G C 1.514 176.679 174.900 0.442 0.000 1.160 78 G CA 0.777 46.165 45.100 0.480 0.000 0.767 78 G HN 0.252 nan 8.290 nan 0.000 0.571 79 Q N -0.003 119.903 119.800 0.176 0.000 2.084 79 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 79 Q C 3.050 179.046 176.000 -0.007 0.000 0.978 79 Q CA 1.213 56.953 55.803 -0.105 0.000 0.844 79 Q CB -0.648 27.937 28.738 -0.254 0.000 0.898 79 Q HN 0.427 nan 8.270 nan 0.000 0.426 80 V N 0.537 120.440 119.914 -0.019 0.000 2.295 80 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 80 V C 2.121 178.204 176.094 -0.020 0.000 1.049 80 V CA 1.693 63.944 62.300 -0.081 0.000 1.024 80 V CB -0.748 30.950 31.823 -0.209 0.000 0.648 80 V HN 0.148 nan 8.190 nan 0.000 0.447 81 F N 0.869 120.870 119.950 0.084 0.000 2.134 81 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 81 F C 2.442 178.309 175.800 0.112 0.000 1.097 81 F CA 1.272 59.332 58.000 0.099 0.000 1.264 81 F CB -1.111 37.963 39.000 0.123 0.000 1.001 81 F HN 0.088 nan 8.300 nan 0.000 0.479 82 A N -0.595 122.434 122.820 0.349 0.000 1.933 82 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 82 A C 2.202 179.884 177.584 0.163 0.000 1.175 82 A CA 1.780 53.981 52.037 0.274 0.000 0.628 82 A CB -0.861 18.357 19.000 0.365 0.000 0.814 82 A HN 0.445 nan 8.150 nan 0.000 0.444 83 E N -0.087 120.176 120.200 0.105 0.000 2.051 83 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 83 E C 1.936 178.573 176.600 0.063 0.000 0.991 83 E CA 1.138 57.571 56.400 0.054 0.000 0.799 83 E CB -0.221 29.485 29.700 0.010 0.000 0.748 83 E HN 0.626 nan 8.360 nan 0.000 0.449 84 L N 0.491 121.764 121.223 0.082 0.000 2.017 84 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 84 L C 2.656 179.586 176.870 0.101 0.000 1.073 84 L CA 1.529 56.420 54.840 0.085 0.000 0.745 84 L CB -0.338 41.788 42.059 0.110 0.000 0.894 84 L HN 0.175 nan 8.230 nan 0.000 0.432 85 E N -0.467 119.814 120.200 0.135 0.000 2.106 85 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 85 E C 2.345 178.990 176.600 0.075 0.000 0.984 85 E CA 1.257 57.727 56.400 0.117 0.000 0.806 85 E CB 0.002 29.785 29.700 0.139 0.000 0.750 85 E HN 0.244 nan 8.360 nan 0.000 0.458 86 S N -0.510 115.231 115.700 0.068 0.000 2.383 86 S HA -0.092 4.378 4.470 -0.000 0.000 0.227 86 S C 1.950 176.564 174.600 0.024 0.000 1.026 86 S CA 0.900 59.122 58.200 0.035 0.000 0.981 86 S CB -0.097 63.125 63.200 0.037 0.000 0.818 86 S HN 0.198 nan 8.310 nan 0.000 0.472 87 R N 0.728 121.246 120.500 0.031 0.000 2.075 87 R HA 0.032 4.372 4.340 -0.000 0.000 0.232 87 R C 2.161 178.475 176.300 0.023 0.000 1.126 87 R CA 1.368 57.480 56.100 0.020 0.000 0.963 87 R CB -0.448 29.863 30.300 0.018 0.000 0.858 87 R HN 0.394 nan 8.270 nan 0.000 0.435 88 N N 0.038 118.762 118.700 0.040 0.000 2.300 88 N HA -0.075 4.665 4.740 -0.000 0.000 0.179 88 N C 1.055 176.595 175.510 0.051 0.000 1.016 88 N CA 0.991 54.072 53.050 0.053 0.000 0.876 88 N CB 0.131 38.662 38.487 0.073 0.000 0.979 88 N HN 0.164 nan 8.380 nan 0.000 0.432 89 C N -1.931 117.390 119.300 0.035 0.000 3.230 89 C HA 0.512 4.972 4.460 -0.000 0.000 0.300 89 C C 1.469 176.442 174.990 -0.028 0.000 1.292 89 C CA 0.027 59.057 59.018 0.020 0.000 1.707 89 C CB -0.236 27.518 27.740 0.024 0.000 2.181 89 C HN 0.544 nan 8.230 nan 0.000 0.655 90 G N 2.049 110.827 108.800 -0.037 0.000 2.162 90 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 90 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 90 G C -0.002 174.854 174.900 -0.072 0.000 0.976 90 G CA 0.254 45.311 45.100 -0.072 0.000 0.655 90 G HN 0.639 nan 8.290 nan 0.000 0.533 91 K N 0.380 120.741 120.400 -0.065 0.000 2.326 91 K HA 0.388 4.708 4.320 -0.000 0.000 0.275 91 K C -2.746 173.801 176.600 -0.089 0.000 1.018 91 K CA -1.830 54.398 56.287 -0.099 0.000 0.962 91 K CB 0.701 33.140 32.500 -0.103 0.000 0.953 91 K HN 0.020 nan 8.250 nan 0.000 0.475 92 P HA -0.104 nan 4.420 nan 0.000 0.262 92 P C 0.716 177.901 177.300 -0.192 0.000 1.182 92 P CA -0.112 62.879 63.100 -0.183 0.000 0.761 92 P CB 0.312 31.799 31.700 -0.354 0.000 0.795 93 L N 5.509 126.697 121.223 -0.058 0.000 2.079 93 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 93 L C 2.207 179.128 176.870 0.085 0.000 1.081 93 L CA 2.146 57.006 54.840 0.033 0.000 0.752 93 L CB -1.412 40.689 42.059 0.070 0.000 0.896 93 L HN 0.553 nan 8.230 nan 0.000 0.433 94 H N -3.071 116.081 119.070 0.136 0.000 2.421 94 H HA -0.015 4.541 4.556 0.000 0.000 0.298 94 H C 1.962 177.409 175.328 0.198 0.000 1.087 94 H CA 1.422 57.576 56.048 0.176 0.000 1.330 94 H CB -0.903 28.939 29.762 0.135 0.000 1.388 94 H HN 0.281 nan 8.280 nan 0.000 0.526 95 S N 0.381 115.934 115.700 -0.245 0.000 2.371 95 S HA 0.027 4.497 4.470 -0.000 0.000 0.224 95 S C 2.494 177.171 174.600 0.127 0.000 1.029 95 S CA 0.655 58.861 58.200 0.009 0.000 0.978 95 S CB -0.458 62.664 63.200 -0.131 0.000 0.833 95 S HN 0.716 nan 8.310 nan 0.000 0.466 96 A N 0.923 123.796 122.820 0.088 0.000 1.902 96 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 96 A C 1.911 179.629 177.584 0.223 0.000 1.181 96 A CA 1.440 53.570 52.037 0.156 0.000 0.623 96 A CB -0.743 18.338 19.000 0.136 0.000 0.818 96 A HN 0.487 nan 8.150 nan 0.000 0.443 97 F N 1.214 121.227 119.950 0.105 0.000 2.149 97 F HA -0.055 4.472 4.527 -0.000 0.000 0.294 97 F C 1.921 177.797 175.800 0.127 0.000 1.095 97 F CA 1.725 59.796 58.000 0.119 0.000 1.276 97 F CB -0.227 38.841 39.000 0.114 0.000 1.023 97 F HN 0.197 nan 8.300 nan 0.000 0.480 98 N N 0.438 119.167 118.700 0.049 0.000 2.300 98 N HA -0.104 4.636 4.740 -0.000 0.000 0.179 98 N C 1.160 176.657 175.510 -0.021 0.000 1.016 98 N CA 1.477 54.499 53.050 -0.047 0.000 0.876 98 N CB -0.361 38.203 38.487 0.128 0.000 0.979 98 N HN 0.386 nan 8.380 nan 0.000 0.432 99 D N 0.565 121.008 120.400 0.071 0.000 2.414 99 D HA 0.024 4.664 4.640 -0.000 0.000 0.237 99 D C 1.658 177.985 176.300 0.045 0.000 0.975 99 D CA 0.540 54.589 54.000 0.082 0.000 0.917 99 D CB -0.215 40.700 40.800 0.192 0.000 1.061 99 D HN 0.280 nan 8.370 nan 0.000 0.480 100 E N 0.811 121.062 120.200 0.084 0.000 2.046 100 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 100 E C 2.244 178.858 176.600 0.024 0.000 0.982 100 E CA 0.421 56.856 56.400 0.059 0.000 0.800 100 E CB 0.151 29.923 29.700 0.121 0.000 0.756 100 E HN 0.137 nan 8.360 nan 0.000 0.449 101 I N 1.272 121.853 120.570 0.018 0.000 2.127 101 I HA -0.191 3.979 4.170 -0.000 0.000 0.241 101 I C -0.572 175.543 176.117 -0.004 0.000 1.075 101 I CA 1.483 62.794 61.300 0.019 0.000 1.334 101 I CB -2.335 35.680 38.000 0.026 0.000 1.040 101 I HN 0.023 nan 8.210 nan 0.000 0.405 102 P HA -0.084 nan 4.420 nan 0.000 0.217 102 P C 1.673 178.982 177.300 0.015 0.000 1.150 102 P CA 1.837 64.919 63.100 -0.029 0.000 0.832 102 P CB -0.005 31.656 31.700 -0.065 0.000 0.787 103 A N -0.748 122.078 122.820 0.009 0.000 1.898 103 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 103 A C 2.204 179.828 177.584 0.067 0.000 1.181 103 A CA 1.313 53.365 52.037 0.025 0.000 0.620 103 A CB -1.561 17.440 19.000 0.001 0.000 0.819 103 A HN 0.104 nan 8.150 nan 0.000 0.442 104 I N -0.542 120.067 120.570 0.064 0.000 2.202 104 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 104 I C 2.360 178.604 176.117 0.212 0.000 1.091 104 I CA 1.075 62.437 61.300 0.103 0.000 1.368 104 I CB -0.294 37.743 38.000 0.062 0.000 1.058 104 I HN 0.149 nan 8.210 nan 0.000 0.410 105 V N 0.791 120.821 119.914 0.193 0.000 2.332 105 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 105 V C 2.169 178.404 176.094 0.236 0.000 1.055 105 V CA 2.403 64.848 62.300 0.241 0.000 1.038 105 V CB -0.667 31.248 31.823 0.153 0.000 0.651 105 V HN 0.469 nan 8.190 nan 0.000 0.450 106 D N -0.342 120.149 120.400 0.152 0.000 2.178 106 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 106 D C 1.989 178.381 176.300 0.153 0.000 0.980 106 D CA 1.081 55.159 54.000 0.130 0.000 0.842 106 D CB -0.034 40.806 40.800 0.067 0.000 0.948 106 D HN 0.220 nan 8.370 nan 0.000 0.472 107 V N -0.216 119.778 119.914 0.133 0.000 2.343 107 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 107 V C 2.015 178.220 176.094 0.185 0.000 1.051 107 V CA 1.478 63.849 62.300 0.119 0.000 1.036 107 V CB -0.600 31.267 31.823 0.073 0.000 0.654 107 V HN 0.249 nan 8.190 nan 0.000 0.451 108 F N 0.000 120.112 119.950 0.270 0.000 2.146 108 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 108 F C 2.624 178.550 175.800 0.210 0.000 1.096 108 F CA 1.433 59.586 58.000 0.254 0.000 1.275 108 F CB -0.309 38.803 39.000 0.186 0.000 1.008 108 F HN -0.037 nan 8.300 nan 0.000 0.480 109 R N -0.736 119.960 120.500 0.328 0.000 2.092 109 R HA -0.160 4.180 4.340 -0.000 0.000 0.231 109 R C 2.167 178.549 176.300 0.136 0.000 1.119 109 R CA 1.556 57.778 56.100 0.204 0.000 0.970 109 R CB -0.740 29.654 30.300 0.158 0.000 0.864 109 R HN 0.275 nan 8.270 nan 0.000 0.440 110 F N 0.674 120.624 119.950 0.001 0.000 2.102 110 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 110 F C 1.650 177.352 175.800 -0.164 0.000 1.105 110 F CA 1.484 59.396 58.000 -0.146 0.000 1.239 110 F CB -0.337 38.473 39.000 -0.316 0.000 0.991 110 F HN -0.134 nan 8.300 nan 0.000 0.474 111 F N 0.128 120.042 119.950 -0.061 0.000 2.407 111 F HA -0.006 4.521 4.527 0.000 0.000 0.299 111 F C 2.455 178.187 175.800 -0.113 0.000 1.097 111 F CA 0.639 58.550 58.000 -0.148 0.000 1.422 111 F CB -0.741 38.278 39.000 0.031 0.000 1.067 111 F HN 0.108 nan 8.300 nan 0.000 0.539 112 A N 0.272 123.164 122.820 0.120 0.000 1.902 112 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 112 A C 2.525 180.089 177.584 -0.034 0.000 1.181 112 A CA 1.816 53.905 52.037 0.087 0.000 0.623 112 A CB -1.479 17.586 19.000 0.109 0.000 0.818 112 A HN 0.386 nan 8.150 nan 0.000 0.443 113 G N -0.747 107.965 108.800 -0.147 0.000 2.394 113 G HA2 0.086 4.046 3.960 -0.000 0.000 0.215 113 G HA3 0.086 4.046 3.960 -0.000 0.000 0.215 113 G C 1.710 176.452 174.900 -0.263 0.000 1.165 113 G CA 1.228 46.209 45.100 -0.198 0.000 0.784 113 G HN 0.776 nan 8.290 nan 0.000 0.535 114 A N 1.206 123.754 122.820 -0.453 0.000 1.969 114 A HA 0.321 4.641 4.320 -0.000 0.000 0.218 114 A C 2.760 180.271 177.584 -0.121 0.000 1.169 114 A CA 1.935 53.744 52.037 -0.380 0.000 0.635 114 A CB -0.664 17.985 19.000 -0.584 0.000 0.810 114 A HN 0.770 nan 8.150 nan 0.000 0.445 115 A N 0.026 122.819 122.820 -0.045 0.000 2.032 115 A HA -0.189 4.131 4.320 -0.000 0.000 0.221 115 A C 2.088 179.655 177.584 -0.028 0.000 1.165 115 A CA 1.584 53.623 52.037 0.003 0.000 0.645 115 A CB -0.382 18.635 19.000 0.029 0.000 0.807 115 A HN 0.580 nan 8.150 nan 0.000 0.453 116 R N -1.950 118.519 120.500 -0.052 0.000 2.359 116 R HA 0.173 4.513 4.340 -0.000 0.000 0.231 116 R C -0.107 176.163 176.300 -0.050 0.000 0.913 116 R CA 0.225 56.296 56.100 -0.048 0.000 1.075 116 R CB -0.014 30.257 30.300 -0.048 0.000 1.087 116 R HN 0.453 nan 8.270 nan 0.000 0.515 117 C N 1.189 120.452 119.300 -0.061 0.000 2.660 117 C HA 0.363 4.823 4.460 -0.000 0.000 0.265 117 C C 0.173 175.136 174.990 -0.045 0.000 1.573 117 C CA -0.859 58.124 59.018 -0.059 0.000 1.751 117 C CB -0.793 26.895 27.740 -0.087 0.000 3.033 117 C HN 0.319 nan 8.230 nan 0.000 0.511 118 L N 2.375 123.581 121.223 -0.028 0.000 2.360 118 L HA 0.216 4.556 4.340 -0.000 0.000 0.276 118 L C 0.560 177.424 176.870 -0.010 0.000 1.121 118 L CA 0.506 55.337 54.840 -0.014 0.000 0.845 118 L CB 0.222 42.282 42.059 0.002 0.000 1.143 118 L HN 0.480 nan 8.230 nan 0.000 0.452 119 N N 1.400 120.093 118.700 -0.011 0.000 2.408 119 N HA 0.543 5.283 4.740 -0.000 0.000 0.260 119 N C -0.013 175.502 175.510 0.009 0.000 1.242 119 N CA 0.183 53.231 53.050 -0.003 0.000 0.959 119 N CB 1.783 40.266 38.487 -0.007 0.000 1.201 119 N HN 0.744 nan 8.380 nan 0.000 0.511 120 G N -0.483 108.325 108.800 0.013 0.000 2.634 120 G HA2 0.447 4.407 3.960 -0.000 0.000 0.309 120 G HA3 0.447 4.407 3.960 -0.000 0.000 0.309 120 G C -1.508 173.403 174.900 0.018 0.000 1.299 120 G CA -0.605 44.505 45.100 0.017 0.000 0.798 120 G HN 0.346 nan 8.290 nan 0.000 0.490 121 L N 0.687 121.920 121.223 0.016 0.000 2.344 121 L HA 0.682 5.022 4.340 -0.000 0.000 0.272 121 L C 1.003 177.917 176.870 0.074 0.000 1.035 121 L CA -0.985 53.870 54.840 0.025 0.000 0.807 121 L CB 1.718 43.756 42.059 -0.035 0.000 1.237 121 L HN 0.732 nan 8.230 nan 0.000 0.442 122 A N 1.705 124.594 122.820 0.116 0.000 2.511 122 A HA 0.476 4.796 4.320 -0.000 0.000 0.242 122 A C 0.410 178.120 177.584 0.210 0.000 1.069 122 A CA -0.038 52.079 52.037 0.133 0.000 0.763 122 A CB 0.144 19.215 19.000 0.118 0.000 1.001 122 A HN 0.804 nan 8.150 nan 0.000 0.498 123 A N 1.805 124.715 122.820 0.150 0.000 2.371 123 A HA 0.716 5.036 4.320 -0.000 0.000 0.257 123 A C 0.832 178.493 177.584 0.129 0.000 1.089 123 A CA 0.537 52.681 52.037 0.178 0.000 0.794 123 A CB 0.206 19.276 19.000 0.117 0.000 1.029 123 A HN 2.551 nan 8.150 nan 0.000 0.488 124 G N 0.321 109.202 108.800 0.135 0.000 2.317 124 G HA2 0.457 4.417 3.960 -0.000 0.000 0.293 124 G HA3 0.457 4.417 3.960 -0.000 0.000 0.293 124 G C -1.846 173.025 174.900 -0.048 0.000 1.287 124 G CA -0.856 44.215 45.100 -0.049 0.000 0.850 124 G HN 0.615 nan 8.290 nan 0.000 0.515 125 E N 0.444 120.562 120.200 -0.137 0.000 2.014 125 E HA 0.503 4.853 4.350 -0.000 0.000 0.275 125 E C -0.479 176.030 176.600 -0.153 0.000 0.997 125 E CA -0.457 55.923 56.400 -0.033 0.000 0.804 125 E CB 0.822 30.534 29.700 0.020 0.000 1.090 125 E HN 0.472 nan 8.360 nan 0.000 0.401 126 Y N 1.484 121.817 120.300 0.054 0.000 2.510 126 Y HA 0.199 4.749 4.550 0.000 0.000 0.273 126 Y C 0.337 176.243 175.900 0.009 0.000 1.119 126 Y CA -0.254 57.859 58.100 0.022 0.000 1.286 126 Y CB 0.654 39.116 38.460 0.003 0.000 1.061 126 Y HN 0.321 nan 8.280 nan 0.000 0.542 127 L N 0.634 121.942 121.223 0.142 0.000 2.356 127 L HA 0.385 4.725 4.340 -0.000 0.000 0.277 127 L C -0.385 176.548 176.870 0.105 0.000 0.996 127 L CA -1.276 53.601 54.840 0.060 0.000 0.822 127 L CB 1.389 43.400 42.059 -0.080 0.000 1.256 127 L HN -0.083 nan 8.230 nan 0.000 0.413 128 E N 3.286 123.536 120.200 0.082 0.000 2.608 128 E HA 0.315 4.665 4.350 -0.000 0.000 0.259 128 E C 1.091 177.750 176.600 0.098 0.000 0.951 128 E CA 1.845 58.288 56.400 0.071 0.000 0.945 128 E CB 0.226 29.955 29.700 0.049 0.000 0.916 128 E HN 0.949 nan 8.360 nan 0.000 0.477 129 G N 3.916 112.677 108.800 -0.065 0.000 2.153 129 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.252 129 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.252 129 G C -0.369 174.037 174.900 -0.823 0.000 0.994 129 G CA 0.275 45.150 45.100 -0.375 0.000 0.698 129 G HN 0.690 nan 8.290 nan 0.000 0.521 130 H N -0.283 118.522 119.070 -0.442 0.000 2.782 130 H HA 0.429 4.985 4.556 0.000 0.000 0.347 130 H C -0.752 174.533 175.328 -0.071 0.000 1.038 130 H CA -0.323 55.551 56.048 -0.289 0.000 1.255 130 H CB 1.882 31.593 29.762 -0.085 0.000 1.623 130 H HN 0.116 nan 8.280 nan 0.000 0.525 131 T N 2.530 117.192 114.554 0.179 0.000 2.767 131 T HA 0.266 4.616 4.350 -0.000 0.000 0.288 131 T C 0.300 175.139 174.700 0.231 0.000 0.963 131 T CA -0.348 61.905 62.100 0.255 0.000 1.019 131 T CB 0.890 69.925 68.868 0.277 0.000 0.923 131 T HN 0.401 nan 8.240 nan 0.000 0.468 132 S N 3.688 119.561 115.700 0.288 0.000 2.549 132 S HA 0.779 5.249 4.470 -0.000 0.000 0.297 132 S C -0.125 174.644 174.600 0.281 0.000 1.115 132 S CA -0.954 57.451 58.200 0.340 0.000 1.059 132 S CB 0.938 64.437 63.200 0.498 0.000 1.046 132 S HN 0.793 nan 8.310 nan 0.000 0.506 133 M N 1.359 121.108 119.600 0.247 0.000 2.575 133 M HA 0.678 5.158 4.480 -0.000 0.000 0.284 133 M C -1.914 174.492 176.300 0.176 0.000 1.253 133 M CA -0.933 54.473 55.300 0.178 0.000 0.861 133 M CB 1.380 34.050 32.600 0.117 0.000 1.733 133 M HN 0.246 nan 8.290 nan 0.000 0.462 134 I N 2.810 123.445 120.570 0.108 0.000 2.378 134 I HA 0.532 4.702 4.170 -0.000 0.000 0.291 134 I C -0.383 175.768 176.117 0.058 0.000 0.992 134 I CA -0.436 60.910 61.300 0.077 0.000 1.154 134 I CB 1.643 39.662 38.000 0.032 0.000 1.315 134 I HN 0.855 nan 8.210 nan 0.000 0.448 135 R N 5.967 126.500 120.500 0.055 0.000 2.828 135 R HA 0.786 5.126 4.340 -0.000 0.000 0.264 135 R C -0.679 175.645 176.300 0.039 0.000 1.022 135 R CA -1.064 55.060 56.100 0.040 0.000 1.021 135 R CB 1.744 32.065 30.300 0.035 0.000 1.163 135 R HN 0.414 nan 8.270 nan 0.000 0.494 136 R N 1.169 121.689 120.500 0.034 0.000 2.412 136 R HA 0.293 4.633 4.340 -0.000 0.000 0.304 136 R C -1.234 175.093 176.300 0.045 0.000 1.066 136 R CA -0.697 55.428 56.100 0.041 0.000 0.923 136 R CB 1.292 31.616 30.300 0.040 0.000 1.156 136 R HN 0.572 nan 8.270 nan 0.000 0.513 137 D N 3.258 123.692 120.400 0.057 0.000 2.268 137 D HA 0.351 4.991 4.640 -0.000 0.000 0.249 137 D C -2.190 174.178 176.300 0.112 0.000 1.008 137 D CA -1.770 52.275 54.000 0.074 0.000 0.939 137 D CB 1.677 42.524 40.800 0.078 0.000 1.170 137 D HN 0.119 nan 8.370 nan 0.000 0.468 138 P HA 0.181 nan 4.420 nan 0.000 0.274 138 P C 0.659 178.083 177.300 0.206 0.000 1.246 138 P CA -0.311 62.924 63.100 0.226 0.000 0.795 138 P CB 1.160 33.092 31.700 0.387 0.000 1.006 139 L N -0.428 120.845 121.223 0.085 0.000 2.168 139 L HA 0.261 4.601 4.340 -0.000 0.000 0.203 139 L C 1.689 178.387 176.870 -0.287 0.000 1.078 139 L CA 1.484 56.306 54.840 -0.031 0.000 0.780 139 L CB -0.736 41.310 42.059 -0.023 0.000 0.939 139 L HN 0.710 nan 8.230 nan 0.000 0.451 140 G N -0.839 107.591 108.800 -0.615 0.000 2.061 140 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.059 140 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.059 140 G C -1.031 173.475 174.900 -0.657 0.000 1.013 140 G CA -0.363 43.957 45.100 -1.300 0.000 1.185 140 G HN -0.197 nan 8.290 nan 0.000 0.410 141 V N 1.521 121.214 119.914 -0.368 0.000 2.432 141 V HA 0.586 4.706 4.120 -0.000 0.000 0.275 141 V C 0.294 176.331 176.094 -0.095 0.000 1.043 141 V CA -0.485 61.707 62.300 -0.179 0.000 0.925 141 V CB 1.157 32.897 31.823 -0.139 0.000 0.985 141 V HN 0.641 nan 8.190 nan 0.000 0.466 142 V N 4.486 124.372 119.914 -0.047 0.000 2.435 142 V HA 0.703 4.823 4.120 -0.000 0.000 0.290 142 V C 0.451 176.548 176.094 0.006 0.000 1.030 142 V CA -0.543 61.766 62.300 0.015 0.000 0.881 142 V CB 1.685 33.551 31.823 0.071 0.000 0.983 142 V HN 0.960 nan 8.190 nan 0.000 0.445 143 A N 3.948 126.785 122.820 0.029 0.000 2.260 143 A HA 0.764 5.084 4.320 -0.000 0.000 0.314 143 A C 0.103 177.720 177.584 0.055 0.000 1.257 143 A CA -0.334 51.721 52.037 0.031 0.000 0.871 143 A CB 0.600 19.624 19.000 0.041 0.000 1.166 143 A HN 0.756 nan 8.150 nan 0.000 0.522 144 S N 2.381 118.108 115.700 0.045 0.000 2.473 144 S HA 0.641 5.111 4.470 -0.000 0.000 0.307 144 S C -0.466 174.170 174.600 0.059 0.000 1.094 144 S CA -0.435 57.802 58.200 0.061 0.000 1.070 144 S CB 1.038 64.263 63.200 0.041 0.000 1.019 144 S HN 0.550 nan 8.310 nan 0.000 0.480 145 I N 2.562 123.174 120.570 0.069 0.000 2.411 145 I HA 0.464 4.634 4.170 -0.000 0.000 0.284 145 I C 0.122 176.272 176.117 0.056 0.000 1.012 145 I CA -0.612 60.724 61.300 0.060 0.000 1.119 145 I CB 1.162 39.197 38.000 0.059 0.000 1.261 145 I HN 0.665 nan 8.210 nan 0.000 0.448 146 A N 9.612 132.464 122.820 0.054 0.000 2.303 146 A HA 0.853 5.173 4.320 -0.000 0.000 0.317 146 A C -2.412 175.184 177.584 0.021 0.000 1.149 146 A CA -1.312 50.748 52.037 0.039 0.000 0.822 146 A CB 0.709 19.737 19.000 0.046 0.000 1.131 146 A HN 0.465 nan 8.150 nan 0.000 0.493 147 P HA 0.196 nan 4.420 nan 0.000 0.284 147 P C 0.324 177.583 177.300 -0.068 0.000 1.292 147 P CA -0.481 62.533 63.100 -0.143 0.000 0.800 147 P CB 0.609 32.143 31.700 -0.276 0.000 1.188 148 W N 0.727 122.049 121.300 0.038 0.000 3.197 148 W HA 0.036 4.696 4.660 -0.000 0.000 0.274 148 W C 0.972 177.487 176.519 -0.008 0.000 1.297 148 W CA 0.192 57.553 57.345 0.027 0.000 1.662 148 W CB -1.398 28.077 29.460 0.024 0.000 1.106 148 W HN 0.237 nan 8.180 nan 0.000 0.663 149 N N 1.706 120.312 118.700 -0.156 0.000 2.250 149 N HA -0.195 4.545 4.740 -0.000 0.000 0.181 149 N C -0.348 174.937 175.510 -0.375 0.000 1.017 149 N CA 0.984 53.932 53.050 -0.169 0.000 0.866 149 N CB -1.093 37.182 38.487 -0.352 0.000 0.985 149 N HN 0.176 nan 8.380 nan 0.000 0.429 150 Y N -0.187 120.083 120.300 -0.051 0.000 2.592 150 Y HA 0.430 4.980 4.550 -0.000 0.000 0.354 150 Y C -1.864 173.976 175.900 -0.099 0.000 1.063 150 Y CA -2.015 56.033 58.100 -0.086 0.000 1.205 150 Y CB 2.021 40.359 38.460 -0.202 0.000 1.106 150 Y HN -0.030 nan 8.280 nan 0.000 0.649 151 P HA -0.222 nan 4.420 nan 0.000 0.213 151 P C 1.883 179.200 177.300 0.029 0.000 1.170 151 P CA 1.354 64.497 63.100 0.071 0.000 0.898 151 P CB 0.619 32.386 31.700 0.111 0.000 0.787 152 L N -1.548 119.687 121.223 0.020 0.000 2.056 152 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 152 L C 2.431 179.250 176.870 -0.085 0.000 1.078 152 L CA 1.616 56.431 54.840 -0.042 0.000 0.749 152 L CB -0.566 41.430 42.059 -0.105 0.000 0.901 152 L HN 0.023 nan 8.230 nan 0.000 0.433 153 M N -1.032 118.491 119.600 -0.129 0.000 2.080 153 M HA -0.281 4.199 4.480 -0.000 0.000 0.260 153 M C 2.205 178.197 176.300 -0.512 0.000 1.068 153 M CA 1.765 56.873 55.300 -0.321 0.000 1.109 153 M CB 0.028 32.354 32.600 -0.457 0.000 1.342 153 M HN 0.198 nan 8.290 nan 0.000 0.405 154 M N -0.006 119.347 119.600 -0.411 0.000 2.229 154 M HA -0.050 4.430 4.480 -0.000 0.000 0.264 154 M C 2.397 178.652 176.300 -0.074 0.000 1.063 154 M CA 1.582 56.697 55.300 -0.307 0.000 1.114 154 M CB -1.689 30.811 32.600 -0.167 0.000 1.387 154 M HN 0.456 nan 8.290 nan 0.000 0.420 155 A N 0.284 123.078 122.820 -0.043 0.000 1.902 155 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 155 A C 2.448 180.056 177.584 0.040 0.000 1.181 155 A CA 2.138 54.188 52.037 0.022 0.000 0.623 155 A CB -0.933 18.092 19.000 0.042 0.000 0.818 155 A HN 0.454 nan 8.150 nan 0.000 0.443 156 A N -1.301 121.526 122.820 0.012 0.000 1.883 156 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 156 A C 1.907 179.447 177.584 -0.074 0.000 1.186 156 A CA 1.607 53.585 52.037 -0.098 0.000 0.624 156 A CB -0.931 17.976 19.000 -0.155 0.000 0.822 156 A HN 0.717 nan 8.150 nan 0.000 0.444 157 W N 0.368 121.566 121.300 -0.170 0.000 2.364 157 W HA -0.068 4.592 4.660 -0.000 0.000 0.281 157 W C 2.116 178.545 176.519 -0.149 0.000 1.219 157 W CA 1.345 58.621 57.345 -0.116 0.000 1.220 157 W CB -0.316 29.127 29.460 -0.029 0.000 1.127 157 W HN 0.408 nan 8.180 nan 0.000 0.556 158 K N -0.859 119.593 120.400 0.088 0.000 2.202 158 K HA 0.068 4.388 4.320 -0.000 0.000 0.201 158 K C 2.044 178.520 176.600 -0.207 0.000 1.051 158 K CA 0.471 56.739 56.287 -0.033 0.000 0.977 158 K CB -0.522 32.007 32.500 0.047 0.000 0.792 158 K HN 0.094 nan 8.250 nan 0.000 0.469 159 L N 1.050 122.201 121.223 -0.120 0.000 2.005 159 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 159 L C 2.648 179.416 176.870 -0.170 0.000 1.072 159 L CA 1.226 56.001 54.840 -0.108 0.000 0.744 159 L CB -0.603 41.507 42.059 0.086 0.000 0.895 159 L HN 0.178 nan 8.230 nan 0.000 0.433 160 A N 0.733 123.420 122.820 -0.223 0.000 1.859 160 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 160 A C -0.018 177.264 177.584 -0.503 0.000 1.198 160 A CA 2.176 54.069 52.037 -0.241 0.000 0.629 160 A CB -2.000 16.769 19.000 -0.385 0.000 0.830 160 A HN 0.314 nan 8.150 nan 0.000 0.446 161 P HA -0.099 nan 4.420 nan 0.000 0.216 161 P C 1.649 178.538 177.300 -0.686 0.000 1.153 161 P CA 1.956 64.429 63.100 -1.044 0.000 0.844 161 P CB -0.231 30.832 31.700 -1.062 0.000 0.787 162 A N 0.299 122.545 122.820 -0.956 0.000 1.883 162 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 162 A C 2.474 179.939 177.584 -0.198 0.000 1.186 162 A CA 1.610 53.191 52.037 -0.761 0.000 0.624 162 A CB -1.674 16.891 19.000 -0.725 0.000 0.822 162 A HN 0.125 nan 8.150 nan 0.000 0.444 163 L N -0.991 120.166 121.223 -0.109 0.000 2.056 163 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 163 L C 3.096 180.128 176.870 0.270 0.000 1.078 163 L CA 0.948 55.898 54.840 0.184 0.000 0.749 163 L CB -0.526 41.602 42.059 0.115 0.000 0.901 163 L HN 0.430 nan 8.230 nan 0.000 0.433 164 A N 0.059 122.947 122.820 0.112 0.000 1.978 164 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 164 A C 2.383 180.000 177.584 0.055 0.000 1.170 164 A CA 1.751 53.853 52.037 0.108 0.000 0.636 164 A CB -0.609 18.448 19.000 0.095 0.000 0.810 164 A HN 0.416 nan 8.150 nan 0.000 0.448 165 A N -2.116 120.728 122.820 0.040 0.000 2.167 165 A HA 0.393 4.713 4.320 -0.000 0.000 0.214 165 A C 1.810 179.428 177.584 0.058 0.000 1.151 165 A CA 1.321 53.393 52.037 0.059 0.000 0.735 165 A CB -0.746 18.315 19.000 0.102 0.000 0.802 165 A HN 1.904 nan 8.150 nan 0.000 0.467 166 G N -0.960 107.881 108.800 0.067 0.000 2.144 166 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 166 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 166 G C -0.153 174.965 174.900 0.362 0.000 0.988 166 G CA 0.088 45.166 45.100 -0.037 0.000 0.659 166 G HN 0.617 nan 8.290 nan 0.000 0.522 167 N N -0.749 118.207 118.700 0.426 0.000 2.476 167 N HA 0.629 5.369 4.740 -0.000 0.000 0.275 167 N C 0.249 176.017 175.510 0.431 0.000 1.190 167 N CA -0.001 53.294 53.050 0.410 0.000 0.977 167 N CB 1.041 39.618 38.487 0.150 0.000 1.200 167 N HN 0.242 nan 8.380 nan 0.000 0.515 168 C N 0.726 120.172 119.300 0.245 0.000 2.364 168 C HA 0.650 5.110 4.460 -0.000 0.000 0.356 168 C C 0.007 174.961 174.990 -0.059 0.000 1.201 168 C CA -0.633 58.401 59.018 0.026 0.000 2.227 168 C CB 0.431 28.202 27.740 0.052 0.000 2.387 168 C HN 0.335 nan 8.230 nan 0.000 0.546 169 V N 2.609 122.446 119.914 -0.129 0.000 2.656 169 V HA 0.525 4.645 4.120 -0.000 0.000 0.307 169 V C -0.594 175.440 176.094 -0.099 0.000 1.051 169 V CA -0.438 61.794 62.300 -0.113 0.000 0.893 169 V CB 1.879 33.613 31.823 -0.148 0.000 0.999 169 V HN 0.668 nan 8.190 nan 0.000 0.426 170 V N 5.589 125.465 119.914 -0.064 0.000 2.350 170 V HA 0.472 4.592 4.120 -0.000 0.000 0.285 170 V C -0.450 175.633 176.094 -0.018 0.000 1.014 170 V CA -0.481 61.791 62.300 -0.046 0.000 0.831 170 V CB 1.448 33.245 31.823 -0.044 0.000 1.000 170 V HN 0.671 nan 8.190 nan 0.000 0.433 171 L N 5.372 126.589 121.223 -0.010 0.000 2.295 171 L HA 0.649 4.989 4.340 -0.000 0.000 0.285 171 L C -0.318 176.576 176.870 0.041 0.000 1.035 171 L CA 0.124 54.973 54.840 0.015 0.000 0.806 171 L CB 1.242 43.309 42.059 0.012 0.000 1.214 171 L HN 0.462 nan 8.230 nan 0.000 0.426 172 K N 6.850 127.281 120.400 0.052 0.000 2.450 172 K HA 0.535 4.855 4.320 -0.000 0.000 0.257 172 K C -2.741 173.910 176.600 0.084 0.000 0.953 172 K CA -1.851 54.477 56.287 0.067 0.000 0.844 172 K CB 2.054 34.581 32.500 0.045 0.000 1.103 172 K HN 0.433 nan 8.250 nan 0.000 0.429 173 P HA 0.065 nan 4.420 nan 0.000 0.277 173 P C -0.232 177.158 177.300 0.151 0.000 1.271 173 P CA -0.465 62.720 63.100 0.141 0.000 0.795 173 P CB 0.703 32.514 31.700 0.184 0.000 1.101 174 S N 0.059 115.861 115.700 0.169 0.000 2.572 174 S HA -0.011 4.459 4.470 -0.000 0.000 0.279 174 S C 1.534 176.267 174.600 0.223 0.000 1.341 174 S CA -0.326 57.989 58.200 0.191 0.000 1.043 174 S CB -0.114 63.261 63.200 0.291 0.000 0.887 174 S HN 0.480 nan 8.310 nan 0.000 0.516 175 E N 3.752 124.038 120.200 0.143 0.000 2.265 175 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 175 E C 1.544 178.320 176.600 0.292 0.000 0.996 175 E CA 0.868 57.358 56.400 0.151 0.000 0.832 175 E CB -0.316 29.359 29.700 -0.042 0.000 0.756 175 E HN 0.682 nan 8.360 nan 0.000 0.491 176 I N 2.090 122.790 120.570 0.216 0.000 2.353 176 I HA -0.084 4.086 4.170 -0.000 0.000 0.248 176 I C 1.427 177.661 176.117 0.196 0.000 1.119 176 I CA 1.386 62.786 61.300 0.166 0.000 1.417 176 I CB -1.114 36.904 38.000 0.031 0.000 1.078 176 I HN 0.119 nan 8.210 nan 0.000 0.421 177 T N -1.193 113.503 114.554 0.237 0.000 3.504 177 T HA 0.360 4.710 4.350 -0.000 0.000 0.286 177 T C -1.900 172.914 174.700 0.189 0.000 1.530 177 T CA -1.122 61.097 62.100 0.199 0.000 1.652 177 T CB 1.292 70.289 68.868 0.216 0.000 0.895 177 T HN 0.050 nan 8.240 nan 0.000 0.674 178 P HA 0.248 nan 4.420 nan 0.000 0.257 178 P C 1.590 178.931 177.300 0.068 0.000 1.241 178 P CA -0.224 62.960 63.100 0.141 0.000 0.816 178 P CB 0.315 32.057 31.700 0.070 0.000 1.150 179 L N 0.572 121.830 121.223 0.058 0.000 1.989 179 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 179 L C 2.665 179.605 176.870 0.117 0.000 1.071 179 L CA 2.699 57.572 54.840 0.055 0.000 0.749 179 L CB -1.998 40.092 42.059 0.052 0.000 0.890 179 L HN 0.119 nan 8.230 nan 0.000 0.431 180 T N -2.464 112.193 114.554 0.171 0.000 2.867 180 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 180 T C 1.918 176.781 174.700 0.272 0.000 1.057 180 T CA 0.876 63.151 62.100 0.291 0.000 1.136 180 T CB -0.325 68.706 68.868 0.270 0.000 0.874 180 T HN 0.336 nan 8.240 nan 0.000 0.466 181 A N 1.668 124.588 122.820 0.167 0.000 1.930 181 A HA 0.241 4.561 4.320 -0.000 0.000 0.217 181 A C 2.396 180.058 177.584 0.129 0.000 1.175 181 A CA 0.962 53.083 52.037 0.140 0.000 0.627 181 A CB -0.759 18.313 19.000 0.119 0.000 0.815 181 A HN 0.537 nan 8.150 nan 0.000 0.443 182 L N -1.002 120.280 121.223 0.099 0.000 2.156 182 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 182 L C 2.504 179.410 176.870 0.060 0.000 1.095 182 L CA 1.574 56.446 54.840 0.053 0.000 0.770 182 L CB -0.391 41.667 42.059 -0.002 0.000 0.914 182 L HN 0.323 nan 8.230 nan 0.000 0.439 183 K N 1.023 121.484 120.400 0.102 0.000 2.057 183 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 183 K C 1.966 178.653 176.600 0.145 0.000 1.050 183 K CA 1.212 57.536 56.287 0.061 0.000 0.935 183 K CB -0.345 32.145 32.500 -0.016 0.000 0.715 183 K HN 0.049 nan 8.250 nan 0.000 0.439 184 L N 0.455 121.871 121.223 0.322 0.000 2.083 184 L HA -0.008 4.332 4.340 -0.000 0.000 0.209 184 L C 2.064 179.022 176.870 0.147 0.000 1.083 184 L CA 2.048 57.079 54.840 0.319 0.000 0.752 184 L CB -0.924 41.280 42.059 0.241 0.000 0.899 184 L HN 0.240 nan 8.230 nan 0.000 0.433 185 A N -0.862 122.016 122.820 0.097 0.000 1.908 185 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 185 A C 2.344 179.947 177.584 0.031 0.000 1.181 185 A CA 1.921 53.986 52.037 0.048 0.000 0.627 185 A CB -0.749 18.268 19.000 0.029 0.000 0.818 185 A HN 0.615 nan 8.150 nan 0.000 0.445 186 E N -0.109 120.103 120.200 0.021 0.000 2.051 186 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 186 E C 1.983 178.588 176.600 0.009 0.000 0.991 186 E CA 1.291 57.688 56.400 -0.004 0.000 0.799 186 E CB -0.209 29.474 29.700 -0.028 0.000 0.748 186 E HN 0.635 nan 8.360 nan 0.000 0.449 187 L N 0.035 121.275 121.223 0.029 0.000 2.141 187 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 187 L C 2.337 179.235 176.870 0.046 0.000 1.094 187 L CA 0.972 55.833 54.840 0.035 0.000 0.763 187 L CB -0.162 41.935 42.059 0.063 0.000 0.908 187 L HN 0.147 nan 8.230 nan 0.000 0.437 188 A N -0.790 122.068 122.820 0.064 0.000 2.308 188 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 188 A C 2.189 179.821 177.584 0.080 0.000 1.216 188 A CA 0.028 52.113 52.037 0.080 0.000 0.864 188 A CB -0.173 18.885 19.000 0.097 0.000 0.902 188 A HN 0.233 nan 8.150 nan 0.000 0.499 189 K N 0.314 120.740 120.400 0.043 0.000 2.144 189 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 189 K C 0.148 176.766 176.600 0.030 0.000 1.047 189 K CA 2.000 58.304 56.287 0.028 0.000 0.927 189 K CB -0.086 32.419 32.500 0.008 0.000 0.716 189 K HN 0.319 nan 8.250 nan 0.000 0.454 190 D N -0.372 120.040 120.400 0.021 0.000 2.431 190 D HA 0.138 4.778 4.640 -0.000 0.000 0.213 190 D C 1.440 177.726 176.300 -0.023 0.000 1.130 190 D CA 0.012 54.013 54.000 0.003 0.000 0.834 190 D CB 0.366 41.161 40.800 -0.008 0.000 0.985 190 D HN 0.276 nan 8.370 nan 0.000 0.504 191 I N -0.424 120.133 120.570 -0.023 0.000 2.500 191 I HA -0.059 4.111 4.170 -0.000 0.000 0.252 191 I C 0.393 176.291 176.117 -0.365 0.000 1.142 191 I CA 0.785 61.975 61.300 -0.184 0.000 1.451 191 I CB 0.181 38.055 38.000 -0.210 0.000 1.093 191 I HN -0.190 nan 8.210 nan 0.000 0.430 192 F N 0.561 120.448 119.950 -0.105 0.000 2.523 192 F HA 0.445 4.972 4.527 0.000 0.000 0.329 192 F C -2.076 173.625 175.800 -0.166 0.000 1.061 192 F CA -2.770 55.113 58.000 -0.196 0.000 0.967 192 F CB 0.030 38.811 39.000 -0.365 0.000 1.218 192 F HN -0.326 nan 8.300 nan 0.000 0.480 193 P HA 0.124 nan 4.420 nan 0.000 0.268 193 P C -0.989 176.297 177.300 -0.024 0.000 1.208 193 P CA -0.399 62.709 63.100 0.013 0.000 0.777 193 P CB 0.321 32.058 31.700 0.062 0.000 0.875 194 A N 2.035 124.851 122.820 -0.007 0.000 2.566 194 A HA 0.380 4.700 4.320 -0.000 0.000 0.245 194 A C 1.562 179.126 177.584 -0.034 0.000 1.056 194 A CA 0.859 52.886 52.037 -0.016 0.000 0.757 194 A CB -1.528 17.471 19.000 -0.001 0.000 0.979 194 A HN 0.901 nan 8.150 nan 0.000 0.508 195 G N 1.210 109.977 108.800 -0.055 0.000 2.217 195 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.246 195 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.246 195 G C 0.945 175.774 174.900 -0.120 0.000 0.990 195 G CA 0.554 45.616 45.100 -0.063 0.000 0.627 195 G HN 1.237 nan 8.290 nan 0.000 0.522 196 V N -0.090 119.700 119.914 -0.205 0.000 2.427 196 V HA 0.098 4.218 4.120 -0.000 0.000 0.248 196 V C 1.460 177.307 176.094 -0.413 0.000 1.051 196 V CA 1.941 63.995 62.300 -0.410 0.000 1.048 196 V CB 0.115 31.451 31.823 -0.810 0.000 0.666 196 V HN 0.371 nan 8.190 nan 0.000 0.456 197 V N 1.369 121.080 119.914 -0.339 0.000 2.588 197 V HA 0.489 4.609 4.120 -0.000 0.000 0.304 197 V C -0.719 175.282 176.094 -0.155 0.000 1.042 197 V CA -0.760 61.364 62.300 -0.292 0.000 0.877 197 V CB 1.876 33.476 31.823 -0.372 0.000 0.996 197 V HN 0.447 nan 8.190 nan 0.000 0.425 198 N N 4.967 123.600 118.700 -0.112 0.000 2.225 198 N HA 0.656 5.396 4.740 -0.000 0.000 0.298 198 N C -1.421 174.069 175.510 -0.033 0.000 1.076 198 N CA -0.469 52.545 53.050 -0.061 0.000 0.792 198 N CB 3.137 41.592 38.487 -0.053 0.000 1.498 198 N HN 0.458 nan 8.380 nan 0.000 0.474 199 I N 2.516 123.084 120.570 -0.004 0.000 2.478 199 I HA 0.401 4.571 4.170 -0.000 0.000 0.287 199 I C -0.352 175.799 176.117 0.057 0.000 1.042 199 I CA -0.504 60.813 61.300 0.028 0.000 1.067 199 I CB 1.784 39.805 38.000 0.036 0.000 1.233 199 I HN 0.232 nan 8.210 nan 0.000 0.431 200 L N 5.193 126.463 121.223 0.079 0.000 2.341 200 L HA 0.662 5.002 4.340 -0.000 0.000 0.267 200 L C -1.042 175.953 176.870 0.210 0.000 1.022 200 L CA -0.939 53.968 54.840 0.112 0.000 0.844 200 L CB 2.031 44.131 42.059 0.068 0.000 1.436 200 L HN 0.457 nan 8.230 nan 0.000 0.483 201 F N -0.427 119.545 119.950 0.037 0.000 2.608 201 F HA 0.750 5.277 4.527 0.000 0.000 0.309 201 F C -0.326 175.500 175.800 0.044 0.000 1.103 201 F CA 0.039 58.066 58.000 0.046 0.000 0.954 201 F CB 2.153 41.183 39.000 0.051 0.000 1.267 201 F HN 0.523 nan 8.300 nan 0.000 0.444 202 G N 3.935 112.107 108.800 -1.046 0.000 2.356 202 G HA2 0.238 4.198 3.960 -0.000 0.000 0.300 202 G HA3 0.238 4.198 3.960 -0.000 0.000 0.300 202 G C -1.867 172.745 174.900 -0.481 0.000 1.331 202 G CA -1.358 43.221 45.100 -0.867 0.000 0.905 202 G HN 0.833 nan 8.290 nan 0.000 0.587 203 R N -0.696 119.620 120.500 -0.307 0.000 2.649 203 R HA 0.469 4.809 4.340 -0.000 0.000 0.270 203 R C 1.898 178.134 176.300 -0.106 0.000 1.105 203 R CA 0.387 56.388 56.100 -0.164 0.000 1.193 203 R CB 0.533 30.765 30.300 -0.114 0.000 1.120 203 R HN 0.727 nan 8.270 nan 0.000 0.561 204 G N 0.933 109.688 108.800 -0.075 0.000 2.433 204 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 204 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 204 G C 1.189 176.055 174.900 -0.056 0.000 1.186 204 G CA 0.573 45.638 45.100 -0.058 0.000 0.779 204 G HN 0.331 nan 8.290 nan 0.000 0.543 205 K N -0.062 120.297 120.400 -0.069 0.000 2.057 205 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 205 K C 2.770 179.348 176.600 -0.037 0.000 1.050 205 K CA 1.644 57.898 56.287 -0.055 0.000 0.935 205 K CB -0.652 31.815 32.500 -0.055 0.000 0.715 205 K HN 0.427 nan 8.250 nan 0.000 0.439 206 T N -1.010 113.518 114.554 -0.044 0.000 2.937 206 T HA 0.011 4.361 4.350 -0.000 0.000 0.260 206 T C 1.732 176.416 174.700 -0.027 0.000 1.051 206 T CA 1.090 63.169 62.100 -0.034 0.000 1.141 206 T CB 0.253 69.091 68.868 -0.050 0.000 0.879 206 T HN -0.063 nan 8.240 nan 0.000 0.459 207 V N -0.058 119.831 119.914 -0.041 0.000 3.058 207 V HA 0.387 4.507 4.120 -0.000 0.000 0.233 207 V C 2.913 179.008 176.094 0.002 0.000 1.255 207 V CA 0.609 62.895 62.300 -0.024 0.000 1.267 207 V CB -0.728 31.057 31.823 -0.064 0.000 1.049 207 V HN 0.476 nan 8.190 nan 0.000 0.486 208 G N 0.509 109.305 108.800 -0.007 0.000 2.459 208 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 208 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 208 G C 1.111 176.044 174.900 0.054 0.000 1.183 208 G CA 1.473 46.588 45.100 0.024 0.000 0.776 208 G HN 0.476 nan 8.290 nan 0.000 0.552 209 D N 1.258 121.671 120.400 0.021 0.000 2.084 209 D HA -0.053 4.587 4.640 -0.000 0.000 0.194 209 D C 0.239 176.628 176.300 0.148 0.000 0.990 209 D CA 1.081 55.070 54.000 -0.019 0.000 0.826 209 D CB -1.356 39.344 40.800 -0.165 0.000 0.971 209 D HN 0.237 nan 8.370 nan 0.000 0.453 210 P HA -0.113 nan 4.420 nan 0.000 0.216 210 P C 1.668 179.066 177.300 0.162 0.000 1.150 210 P CA 0.687 63.865 63.100 0.130 0.000 0.837 210 P CB 0.051 31.803 31.700 0.086 0.000 0.786 211 L N -0.033 121.269 121.223 0.131 0.000 1.988 211 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 211 L C 2.136 179.091 176.870 0.141 0.000 1.071 211 L CA 2.744 57.656 54.840 0.119 0.000 0.744 211 L CB -1.923 40.178 42.059 0.071 0.000 0.893 211 L HN 0.031 nan 8.230 nan 0.000 0.433 212 T N -3.576 111.072 114.554 0.157 0.000 3.035 212 T HA 0.013 4.363 4.350 -0.000 0.000 0.268 212 T C 1.663 176.437 174.700 0.124 0.000 1.109 212 T CA 0.660 62.852 62.100 0.154 0.000 1.119 212 T CB -0.940 68.041 68.868 0.188 0.000 0.900 212 T HN 0.424 nan 8.240 nan 0.000 0.503 213 G N -0.066 108.837 108.800 0.171 0.000 3.042 213 G HA2 0.039 3.999 3.960 -0.000 0.000 0.212 213 G HA3 0.039 3.999 3.960 -0.000 0.000 0.212 213 G C 0.397 175.297 174.900 -0.000 0.000 1.166 213 G CA -0.435 44.640 45.100 -0.043 0.000 0.767 213 G HN 0.579 nan 8.290 nan 0.000 0.546 214 H N 1.436 120.506 119.070 0.001 0.000 2.886 214 H HA 0.103 4.659 4.556 0.000 0.000 0.329 214 H C -1.424 173.890 175.328 -0.024 0.000 1.044 214 H CA -1.363 54.682 56.048 -0.004 0.000 1.456 214 H CB 2.003 31.770 29.762 0.009 0.000 1.464 214 H HN -0.040 nan 8.280 nan 0.000 0.573 215 P HA -0.119 nan 4.420 nan 0.000 0.219 215 P C 0.862 178.246 177.300 0.141 0.000 1.146 215 P CA 1.514 64.626 63.100 0.020 0.000 0.808 215 P CB 0.320 31.980 31.700 -0.067 0.000 0.779 216 K N -0.990 119.628 120.400 0.362 0.000 2.426 216 K HA 0.109 4.429 4.320 -0.000 0.000 0.193 216 K C 0.225 176.848 176.600 0.039 0.000 1.028 216 K CA 0.138 56.514 56.287 0.148 0.000 1.047 216 K CB 0.105 32.667 32.500 0.103 0.000 0.821 216 K HN 0.063 nan 8.250 nan 0.000 0.513 217 V N 2.808 122.762 119.914 0.066 0.000 2.508 217 V HA 0.034 4.154 4.120 -0.000 0.000 0.281 217 V C 1.281 177.372 176.094 -0.005 0.000 1.041 217 V CA 0.087 62.391 62.300 0.006 0.000 1.016 217 V CB 1.068 32.911 31.823 0.034 0.000 0.984 217 V HN 0.207 nan 8.190 nan 0.000 0.478 218 R N 3.366 123.845 120.500 -0.035 0.000 2.206 218 R HA 0.353 4.693 4.340 -0.000 0.000 0.198 218 R C 0.265 176.556 176.300 -0.014 0.000 0.986 218 R CA 0.450 56.530 56.100 -0.034 0.000 1.029 218 R CB 0.276 30.535 30.300 -0.069 0.000 0.966 218 R HN 0.666 nan 8.270 nan 0.000 0.487 219 M N 0.312 119.913 119.600 0.001 0.000 2.421 219 M HA 0.345 4.825 4.480 -0.000 0.000 0.287 219 M C -1.796 174.533 176.300 0.047 0.000 1.183 219 M CA -0.635 54.677 55.300 0.020 0.000 0.916 219 M CB 2.693 35.303 32.600 0.017 0.000 1.701 219 M HN -0.295 nan 8.290 nan 0.000 0.470 220 V N 2.390 122.341 119.914 0.062 0.000 2.487 220 V HA 0.555 4.675 4.120 -0.000 0.000 0.298 220 V C -0.647 175.512 176.094 0.108 0.000 1.028 220 V CA -0.593 61.756 62.300 0.082 0.000 0.860 220 V CB 1.765 33.635 31.823 0.079 0.000 0.991 220 V HN 0.848 nan 8.190 nan 0.000 0.427 221 S N 5.059 120.836 115.700 0.129 0.000 2.456 221 S HA 0.822 5.292 4.470 -0.000 0.000 0.316 221 S C -1.074 173.615 174.600 0.149 0.000 1.089 221 S CA -0.455 57.852 58.200 0.178 0.000 1.101 221 S CB 0.973 64.298 63.200 0.207 0.000 0.995 221 S HN 0.663 nan 8.310 nan 0.000 0.468 222 L N 4.669 125.973 121.223 0.135 0.000 2.408 222 L HA 0.740 5.080 4.340 -0.000 0.000 0.268 222 L C -0.850 176.062 176.870 0.070 0.000 0.986 222 L CA 0.088 54.977 54.840 0.083 0.000 0.820 222 L CB 2.372 44.457 42.059 0.044 0.000 1.303 222 L HN 0.587 nan 8.230 nan 0.000 0.411 223 T N 3.931 118.519 114.554 0.056 0.000 2.792 223 T HA 0.906 5.256 4.350 -0.000 0.000 0.280 223 T C -0.077 174.596 174.700 -0.045 0.000 0.990 223 T CA 0.023 62.141 62.100 0.029 0.000 0.960 223 T CB 1.362 70.272 68.868 0.069 0.000 0.939 223 T HN 1.068 nan 8.240 nan 0.000 0.439 224 G N 1.728 110.477 108.800 -0.086 0.000 2.364 224 G HA2 0.514 4.474 3.960 -0.000 0.000 0.286 224 G HA3 0.514 4.474 3.960 -0.000 0.000 0.286 224 G C -0.644 174.162 174.900 -0.156 0.000 1.241 224 G CA -0.358 44.656 45.100 -0.143 0.000 0.887 224 G HN 0.855 nan 8.290 nan 0.000 0.484 225 S N -0.820 114.798 115.700 -0.137 0.000 2.632 225 S HA 0.503 4.973 4.470 -0.000 0.000 0.267 225 S C 1.450 176.012 174.600 -0.063 0.000 1.276 225 S CA -0.326 57.804 58.200 -0.116 0.000 0.998 225 S CB 1.252 64.399 63.200 -0.087 0.000 0.953 225 S HN 0.538 nan 8.310 nan 0.000 0.547 226 I N 0.991 121.536 120.570 -0.042 0.000 2.226 226 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 226 I C 2.850 178.956 176.117 -0.019 0.000 1.100 226 I CA 1.521 62.801 61.300 -0.034 0.000 1.374 226 I CB -0.887 37.091 38.000 -0.037 0.000 1.057 226 I HN 0.871 nan 8.210 nan 0.000 0.413 227 A N 0.384 123.196 122.820 -0.013 0.000 1.902 227 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 227 A C 2.376 179.972 177.584 0.021 0.000 1.181 227 A CA 2.480 54.518 52.037 0.001 0.000 0.623 227 A CB -1.069 17.926 19.000 -0.009 0.000 0.818 227 A HN 0.377 nan 8.150 nan 0.000 0.443 228 T N -0.265 114.290 114.554 0.001 0.000 2.746 228 T HA -0.027 4.323 4.350 -0.000 0.000 0.267 228 T C 1.989 176.732 174.700 0.071 0.000 1.039 228 T CA 1.407 63.522 62.100 0.026 0.000 1.142 228 T CB -0.680 68.184 68.868 -0.007 0.000 0.866 228 T HN 0.598 nan 8.240 nan 0.000 0.444 229 G N 1.428 110.241 108.800 0.021 0.000 2.476 229 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 229 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 229 G C 1.454 176.377 174.900 0.038 0.000 1.164 229 G CA 0.866 45.971 45.100 0.008 0.000 0.768 229 G HN 0.520 nan 8.290 nan 0.000 0.560 230 E N -0.636 119.590 120.200 0.043 0.000 2.077 230 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 230 E C 2.186 178.835 176.600 0.080 0.000 0.989 230 E CA 0.795 57.225 56.400 0.051 0.000 0.800 230 E CB -0.305 29.419 29.700 0.041 0.000 0.746 230 E HN 0.603 nan 8.360 nan 0.000 0.452 231 H N 0.904 119.980 119.070 0.010 0.000 2.321 231 H HA -0.123 4.433 4.556 -0.000 0.000 0.300 231 H C 2.011 177.372 175.328 0.054 0.000 1.087 231 H CA 1.211 57.269 56.048 0.016 0.000 1.319 231 H CB 0.210 29.966 29.762 -0.011 0.000 1.379 231 H HN 0.072 nan 8.280 nan 0.000 0.501 232 I N 1.403 122.014 120.570 0.067 0.000 2.226 232 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 232 I C 2.880 179.020 176.117 0.039 0.000 1.100 232 I CA 0.786 62.119 61.300 0.056 0.000 1.374 232 I CB -1.171 36.890 38.000 0.102 0.000 1.057 232 I HN 0.298 nan 8.210 nan 0.000 0.413 233 I N 0.411 121.004 120.570 0.038 0.000 2.179 233 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 233 I C 2.536 178.658 176.117 0.008 0.000 1.088 233 I CA 1.320 62.642 61.300 0.037 0.000 1.357 233 I CB -0.381 37.653 38.000 0.057 0.000 1.051 233 I HN 0.126 nan 8.210 nan 0.000 0.409 234 S N -0.491 115.205 115.700 -0.007 0.000 2.383 234 S HA -0.283 4.187 4.470 -0.000 0.000 0.229 234 S C 1.991 176.577 174.600 -0.023 0.000 1.030 234 S CA 1.605 59.793 58.200 -0.020 0.000 1.002 234 S CB -0.524 62.660 63.200 -0.026 0.000 0.829 234 S HN 0.514 nan 8.310 nan 0.000 0.467 235 H N 1.713 120.676 119.070 -0.178 0.000 2.423 235 H HA -0.024 4.532 4.556 -0.000 0.000 0.297 235 H C 2.127 177.400 175.328 -0.092 0.000 1.075 235 H CA 1.884 57.824 56.048 -0.181 0.000 1.342 235 H CB -0.323 29.264 29.762 -0.293 0.000 1.395 235 H HN 0.473 nan 8.280 nan 0.000 0.530 236 T N -3.095 111.381 114.554 -0.130 0.000 3.086 236 T HA 0.354 4.704 4.350 -0.000 0.000 0.250 236 T C 2.057 176.700 174.700 -0.095 0.000 1.074 236 T CA 0.289 62.300 62.100 -0.149 0.000 0.988 236 T CB -0.150 68.682 68.868 -0.060 0.000 0.988 236 T HN 0.352 nan 8.240 nan 0.000 0.530 237 A N 2.689 125.466 122.820 -0.072 0.000 1.908 237 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 237 A C 2.702 180.252 177.584 -0.057 0.000 1.181 237 A CA 2.189 54.196 52.037 -0.050 0.000 0.627 237 A CB -1.320 17.659 19.000 -0.036 0.000 0.818 237 A HN 0.751 nan 8.150 nan 0.000 0.445 238 S N 0.219 115.874 115.700 -0.074 0.000 2.419 238 S HA -0.130 4.340 4.470 -0.000 0.000 0.235 238 S C 1.493 176.056 174.600 -0.062 0.000 1.019 238 S CA 1.855 60.015 58.200 -0.067 0.000 0.982 238 S CB -0.583 62.571 63.200 -0.077 0.000 0.789 238 S HN 1.072 nan 8.310 nan 0.000 0.490 239 S N 0.502 116.160 115.700 -0.070 0.000 2.754 239 S HA 0.415 4.885 4.470 -0.000 0.000 0.247 239 S C 0.530 175.105 174.600 -0.042 0.000 1.031 239 S CA -0.227 57.940 58.200 -0.055 0.000 1.014 239 S CB -0.396 62.767 63.200 -0.061 0.000 0.918 239 S HN 0.475 nan 8.310 nan 0.000 0.519 240 I N 0.256 120.802 120.570 -0.041 0.000 6.450 240 I HA -0.254 3.916 4.170 -0.000 0.000 0.126 240 I C 0.153 176.254 176.117 -0.026 0.000 1.777 240 I CA 0.759 62.040 61.300 -0.032 0.000 2.236 240 I CB -2.771 35.212 38.000 -0.029 0.000 3.397 240 I HN 0.524 nan 8.210 nan 0.000 0.226 241 K N 1.771 122.155 120.400 -0.026 0.000 2.414 241 K HA 0.186 4.506 4.320 -0.000 0.000 0.272 241 K C 0.983 177.583 176.600 -0.000 0.000 0.993 241 K CA -0.577 55.702 56.287 -0.013 0.000 0.964 241 K CB 0.740 33.234 32.500 -0.010 0.000 0.925 241 K HN 0.123 nan 8.250 nan 0.000 0.487 242 R N 1.507 122.008 120.500 0.001 0.000 2.543 242 R HA 0.115 4.455 4.340 -0.000 0.000 0.277 242 R C 0.275 176.604 176.300 0.048 0.000 1.074 242 R CA 0.113 56.219 56.100 0.010 0.000 1.076 242 R CB 0.610 30.904 30.300 -0.008 0.000 0.993 242 R HN 0.819 nan 8.270 nan 0.000 0.459 243 T N -1.329 113.288 114.554 0.106 0.000 2.901 243 T HA 0.465 4.815 4.350 -0.000 0.000 0.293 243 T C -0.974 173.885 174.700 0.266 0.000 1.084 243 T CA -0.885 61.317 62.100 0.170 0.000 1.008 243 T CB 2.115 71.101 68.868 0.196 0.000 1.170 243 T HN 0.745 nan 8.240 nan 0.000 0.509 244 H N 0.239 119.337 119.070 0.047 0.000 3.096 244 H HA 0.662 5.218 4.556 -0.000 0.000 0.335 244 H C -1.617 173.648 175.328 -0.105 0.000 0.990 244 H CA -0.609 55.429 56.048 -0.016 0.000 1.393 244 H CB 1.402 31.105 29.762 -0.098 0.000 1.742 244 H HN 0.724 nan 8.280 nan 0.000 0.501 245 M N 3.940 123.272 119.600 -0.445 0.000 2.267 245 M HA 0.272 4.752 4.480 -0.000 0.000 0.289 245 M C -1.544 174.549 176.300 -0.345 0.000 1.043 245 M CA -0.454 54.616 55.300 -0.384 0.000 0.928 245 M CB 2.110 34.370 32.600 -0.567 0.000 1.613 245 M HN 0.593 nan 8.290 nan 0.000 0.450 246 E N 5.247 125.363 120.200 -0.140 0.000 2.182 246 E HA 0.350 4.700 4.350 -0.000 0.000 0.258 246 E C -1.073 175.501 176.600 -0.044 0.000 0.879 246 E CA -0.130 56.231 56.400 -0.065 0.000 0.754 246 E CB 1.015 30.763 29.700 0.081 0.000 1.162 246 E HN 0.817 nan 8.360 nan 0.000 0.419 247 L N 3.275 124.464 121.223 -0.058 0.000 3.066 247 L HA 0.454 4.794 4.340 -0.000 0.000 0.265 247 L C 0.657 177.527 176.870 -0.001 0.000 1.232 247 L CA -0.155 54.655 54.840 -0.049 0.000 1.031 247 L CB 0.446 42.462 42.059 -0.073 0.000 1.379 247 L HN 0.680 nan 8.230 nan 0.000 0.563 248 G N -0.585 108.239 108.800 0.040 0.000 2.428 248 G HA2 0.295 4.255 3.960 -0.000 0.000 0.681 248 G HA3 0.295 4.255 3.960 -0.000 0.000 0.681 248 G C -0.800 174.221 174.900 0.201 0.000 1.340 248 G CA -0.500 44.645 45.100 0.074 0.000 0.915 248 G HN 0.323 nan 8.290 nan 0.000 0.645 249 G N -0.976 107.883 108.800 0.098 0.000 2.682 249 G HA2 0.814 4.774 3.960 -0.000 0.000 0.290 249 G HA3 0.814 4.774 3.960 -0.000 0.000 0.290 249 G C -1.009 173.695 174.900 -0.327 0.000 1.425 249 G CA -0.032 45.094 45.100 0.043 0.000 0.807 249 G HN 1.291 nan 8.290 nan 0.000 0.482 250 K N 0.035 120.273 120.400 -0.269 0.000 3.200 250 K HA 0.579 4.899 4.320 -0.000 0.000 0.179 250 K C 0.041 176.643 176.600 0.003 0.000 1.153 250 K CA -0.129 55.999 56.287 -0.265 0.000 0.836 250 K CB 0.452 32.587 32.500 -0.609 0.000 1.051 250 K HN 0.915 nan 8.250 nan 0.000 0.594 251 A N 3.397 126.274 122.820 0.095 0.000 2.537 251 A HA 0.263 4.583 4.320 -0.000 0.000 0.260 251 A C -2.141 175.500 177.584 0.094 0.000 1.082 251 A CA -0.567 51.552 52.037 0.137 0.000 0.765 251 A CB -0.540 18.685 19.000 0.374 0.000 1.019 251 A HN 0.416 nan 8.150 nan 0.000 0.507 252 P HA 0.279 nan 4.420 nan 0.000 0.276 252 P C -0.712 176.702 177.300 0.189 0.000 1.230 252 P CA -0.073 63.097 63.100 0.118 0.000 0.776 252 P CB 1.099 32.859 31.700 0.100 0.000 0.888 253 V N 5.487 125.531 119.914 0.217 0.000 2.325 253 V HA 0.308 4.428 4.120 -0.000 0.000 0.280 253 V C 0.352 176.619 176.094 0.289 0.000 1.016 253 V CA -0.402 62.062 62.300 0.273 0.000 0.818 253 V CB 0.860 32.748 31.823 0.110 0.000 1.019 253 V HN 0.396 nan 8.190 nan 0.000 0.434 254 I N 5.397 126.171 120.570 0.340 0.000 2.297 254 I HA 0.363 4.533 4.170 -0.000 0.000 0.291 254 I C -0.377 175.920 176.117 0.301 0.000 1.033 254 I CA -0.518 60.917 61.300 0.226 0.000 1.253 254 I CB 1.464 39.491 38.000 0.045 0.000 1.396 254 I HN 0.257 nan 8.210 nan 0.000 0.476 255 V N 7.319 127.389 119.914 0.261 0.000 2.328 255 V HA 0.355 4.475 4.120 -0.000 0.000 0.278 255 V C -0.025 176.198 176.094 0.214 0.000 1.021 255 V CA -0.480 61.980 62.300 0.266 0.000 0.838 255 V CB 0.841 32.735 31.823 0.119 0.000 0.999 255 V HN 0.390 nan 8.190 nan 0.000 0.447 256 F N 1.805 121.975 119.950 0.366 0.000 2.368 256 F HA 0.317 4.844 4.527 -0.000 0.000 0.315 256 F C 1.624 177.513 175.800 0.148 0.000 1.145 256 F CA -0.260 57.913 58.000 0.290 0.000 1.095 256 F CB 0.717 39.880 39.000 0.272 0.000 1.286 256 F HN 0.448 nan 8.300 nan 0.000 0.530 257 D N 0.278 120.853 120.400 0.291 0.000 2.221 257 D HA -0.159 4.481 4.640 -0.000 0.000 0.204 257 D C 1.318 177.711 176.300 0.156 0.000 0.982 257 D CA 1.375 55.466 54.000 0.153 0.000 0.857 257 D CB -0.318 40.548 40.800 0.110 0.000 0.934 257 D HN 0.510 nan 8.370 nan 0.000 0.475 258 D N -0.400 120.119 120.400 0.199 0.000 2.342 258 D HA 0.144 4.784 4.640 -0.000 0.000 0.221 258 D C 0.439 176.846 176.300 0.178 0.000 1.101 258 D CA -0.261 53.831 54.000 0.153 0.000 0.837 258 D CB -0.371 40.500 40.800 0.118 0.000 0.938 258 D HN -0.019 nan 8.370 nan 0.000 0.508 259 A N 0.406 123.363 122.820 0.228 0.000 2.366 259 A HA 0.209 4.529 4.320 -0.000 0.000 0.249 259 A C 0.233 177.933 177.584 0.193 0.000 1.084 259 A CA -0.401 51.793 52.037 0.262 0.000 0.794 259 A CB 0.277 19.476 19.000 0.332 0.000 1.034 259 A HN 0.118 nan 8.150 nan 0.000 0.491 260 D N 1.583 122.116 120.400 0.221 0.000 2.359 260 D HA 0.108 4.748 4.640 -0.000 0.000 0.250 260 D C 1.074 177.446 176.300 0.120 0.000 1.264 260 D CA -0.367 53.730 54.000 0.162 0.000 0.911 260 D CB 0.071 40.980 40.800 0.183 0.000 1.056 260 D HN 0.267 nan 8.370 nan 0.000 0.499 261 I N 3.143 123.750 120.570 0.061 0.000 2.286 261 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 261 I C 2.115 178.213 176.117 -0.032 0.000 1.115 261 I CA 0.896 62.194 61.300 -0.002 0.000 1.392 261 I CB -0.836 37.157 38.000 -0.011 0.000 1.065 261 I HN 0.542 nan 8.210 nan 0.000 0.418 262 E N 0.935 121.134 120.200 -0.001 0.000 2.085 262 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 262 E C 2.319 178.915 176.600 -0.006 0.000 0.994 262 E CA 1.579 57.973 56.400 -0.010 0.000 0.801 262 E CB 0.034 29.740 29.700 0.010 0.000 0.743 262 E HN 0.455 nan 8.360 nan 0.000 0.453 263 A N 0.103 122.955 122.820 0.053 0.000 1.898 263 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 263 A C 2.385 179.968 177.584 -0.003 0.000 1.181 263 A CA 1.320 53.430 52.037 0.123 0.000 0.620 263 A CB -0.553 18.623 19.000 0.293 0.000 0.819 263 A HN 0.213 nan 8.150 nan 0.000 0.442 264 V N -0.323 119.473 119.914 -0.197 0.000 2.295 264 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 264 V C 2.585 178.432 176.094 -0.412 0.000 1.049 264 V CA 2.008 63.916 62.300 -0.654 0.000 1.024 264 V CB -0.802 30.648 31.823 -0.622 0.000 0.648 264 V HN 0.375 nan 8.190 nan 0.000 0.447 265 V N 0.203 119.973 119.914 -0.241 0.000 2.261 265 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 265 V C 2.488 178.470 176.094 -0.185 0.000 1.047 265 V CA 2.468 64.655 62.300 -0.189 0.000 1.015 265 V CB -0.686 31.059 31.823 -0.130 0.000 0.642 265 V HN 0.728 nan 8.190 nan 0.000 0.446 266 E N 0.440 120.551 120.200 -0.148 0.000 2.118 266 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 266 E C 2.195 178.634 176.600 -0.269 0.000 0.992 266 E CA 1.660 57.970 56.400 -0.150 0.000 0.804 266 E CB -0.552 29.103 29.700 -0.075 0.000 0.741 266 E HN 0.549 nan 8.360 nan 0.000 0.458 267 G N 0.495 109.131 108.800 -0.275 0.000 2.453 267 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.215 267 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.215 267 G C 1.673 176.076 174.900 -0.827 0.000 1.201 267 G CA 1.028 45.809 45.100 -0.532 0.000 0.784 267 G HN 0.248 nan 8.290 nan 0.000 0.545 268 V N 0.994 120.675 119.914 -0.389 0.000 2.407 268 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 268 V C 2.760 178.769 176.094 -0.143 0.000 1.055 268 V CA 1.998 64.147 62.300 -0.252 0.000 1.049 268 V CB -0.518 31.187 31.823 -0.197 0.000 0.662 268 V HN 0.413 nan 8.190 nan 0.000 0.455 269 R N -0.241 120.169 120.500 -0.151 0.000 2.139 269 R HA -0.192 4.148 4.340 -0.000 0.000 0.243 269 R C 2.172 178.449 176.300 -0.039 0.000 1.145 269 R CA 2.169 58.231 56.100 -0.064 0.000 0.976 269 R CB -0.257 29.956 30.300 -0.145 0.000 0.866 269 R HN 0.554 nan 8.270 nan 0.000 0.449 270 T N 0.077 114.462 114.554 -0.283 0.000 2.837 270 T HA 0.007 4.357 4.350 -0.000 0.000 0.248 270 T C 1.266 175.818 174.700 -0.246 0.000 1.033 270 T CA 1.029 62.973 62.100 -0.259 0.000 1.150 270 T CB -0.185 68.398 68.868 -0.475 0.000 0.865 270 T HN 0.132 nan 8.240 nan 0.000 0.425 271 F N 1.592 121.337 119.950 -0.342 0.000 2.365 271 F HA 0.229 4.756 4.527 -0.000 0.000 0.300 271 F C 2.497 177.925 175.800 -0.621 0.000 1.090 271 F CA 0.078 57.595 58.000 -0.805 0.000 1.408 271 F CB -1.261 37.355 39.000 -0.641 0.000 1.060 271 F HN 0.238 nan 8.300 nan 0.000 0.534 272 G N -2.427 106.202 108.800 -0.285 0.000 2.777 272 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.211 272 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.211 272 G C 0.834 175.272 174.900 -0.769 0.000 1.149 272 G CA 0.310 45.087 45.100 -0.539 0.000 0.785 272 G HN 0.414 nan 8.290 nan 0.000 0.536 273 Y N -2.410 117.853 120.300 -0.061 0.000 2.476 273 Y HA 0.344 4.894 4.550 0.000 0.000 0.261 273 Y C 0.499 176.428 175.900 0.048 0.000 1.077 273 Y CA -1.615 56.479 58.100 -0.009 0.000 1.240 273 Y CB 0.145 38.591 38.460 -0.023 0.000 1.317 273 Y HN 0.078 nan 8.280 nan 0.000 0.540 274 Y N 2.583 122.917 120.300 0.056 0.000 2.702 274 Y HA -0.036 4.513 4.550 -0.000 0.000 0.336 274 Y C 1.239 177.226 175.900 0.145 0.000 1.235 274 Y CA 0.316 58.495 58.100 0.132 0.000 1.492 274 Y CB 0.253 38.840 38.460 0.210 0.000 1.308 274 Y HN 0.320 nan 8.280 nan 0.000 0.589 275 N N 3.138 121.647 118.700 -0.318 0.000 2.693 275 N HA -0.284 4.456 4.740 -0.000 0.000 0.249 275 N C 0.125 175.575 175.510 -0.101 0.000 1.119 275 N CA 1.283 54.203 53.050 -0.217 0.000 0.717 275 N CB -1.341 37.073 38.487 -0.121 0.000 1.071 275 N HN 1.242 nan 8.380 nan 0.000 0.555 276 A N -2.149 120.649 122.820 -0.037 0.000 2.832 276 A HA 0.054 4.374 4.320 -0.000 0.000 0.280 276 A C 2.148 179.725 177.584 -0.012 0.000 1.464 276 A CA 1.801 53.850 52.037 0.020 0.000 0.804 276 A CB -1.936 17.069 19.000 0.009 0.000 1.020 276 A HN 2.125 nan 8.150 nan 0.000 0.563 277 G N -2.362 106.416 108.800 -0.037 0.000 2.162 277 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.260 277 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.260 277 G C 0.092 174.813 174.900 -0.299 0.000 0.976 277 G CA 0.861 45.890 45.100 -0.119 0.000 0.655 277 G HN 1.453 nan 8.290 nan 0.000 0.533 278 Q N 0.911 120.470 119.800 -0.401 0.000 3.181 278 Q HA 0.386 4.726 4.340 -0.000 0.000 0.293 278 Q C -0.612 174.870 176.000 -0.862 0.000 1.406 278 Q CA 0.008 55.172 55.803 -1.064 0.000 1.026 278 Q CB 0.441 28.916 28.738 -0.440 0.000 1.630 278 Q HN 0.404 nan 8.270 nan 0.000 0.553 279 D N -0.260 119.815 120.400 -0.543 0.000 2.970 279 D HA 0.098 4.738 4.640 -0.000 0.000 0.230 279 D C 0.129 176.666 176.300 0.395 0.000 1.276 279 D CA -0.625 53.488 54.000 0.187 0.000 0.910 279 D CB 1.674 42.777 40.800 0.505 0.000 1.590 279 D HN 0.255 nan 8.370 nan 0.000 0.551 280 C N 1.740 121.367 119.300 0.544 0.000 2.422 280 C HA -0.061 4.399 4.460 -0.000 0.000 0.286 280 C C 2.066 177.302 174.990 0.410 0.000 1.412 280 C CA 1.521 60.831 59.018 0.487 0.000 1.786 280 C CB -1.303 26.665 27.740 0.379 0.000 1.835 280 C HN 0.707 nan 8.230 nan 0.000 0.533 281 T N -2.100 112.738 114.554 0.473 0.000 3.176 281 T HA 0.501 4.851 4.350 -0.000 0.000 0.263 281 T C 0.463 175.563 174.700 0.667 0.000 1.021 281 T CA 0.360 62.788 62.100 0.546 0.000 0.905 281 T CB -0.122 69.102 68.868 0.593 0.000 1.057 281 T HN 0.385 nan 8.240 nan 0.000 0.558 282 A N 1.227 124.342 122.820 0.491 0.000 2.561 282 A HA 0.593 4.913 4.320 -0.000 0.000 0.234 282 A C 1.096 178.773 177.584 0.156 0.000 1.055 282 A CA 0.034 52.237 52.037 0.277 0.000 0.756 282 A CB -0.377 18.683 19.000 0.100 0.000 0.986 282 A HN 0.921 nan 8.150 nan 0.000 0.505 283 A N 1.952 124.704 122.820 -0.114 0.000 3.026 283 A HA 0.339 4.659 4.320 -0.000 0.000 0.272 283 A C 1.164 178.621 177.584 -0.212 0.000 1.782 283 A CA 0.238 52.077 52.037 -0.330 0.000 1.451 283 A CB -1.513 17.163 19.000 -0.541 0.000 1.081 283 A HN 1.656 nan 8.150 nan 0.000 0.611 284 C N -0.422 118.808 119.300 -0.116 0.000 2.791 284 C HA 0.421 4.881 4.460 -0.000 0.000 0.288 284 C C 1.012 175.929 174.990 -0.122 0.000 1.271 284 C CA -0.252 58.685 59.018 -0.135 0.000 1.726 284 C CB -0.966 26.720 27.740 -0.090 0.000 2.145 284 C HN 0.684 nan 8.230 nan 0.000 0.572 285 R N 1.587 122.025 120.500 -0.105 0.000 2.312 285 R HA 0.657 4.997 4.340 -0.000 0.000 0.310 285 R C -1.213 174.970 176.300 -0.195 0.000 1.064 285 R CA -0.510 55.492 56.100 -0.164 0.000 0.983 285 R CB 0.079 30.302 30.300 -0.130 0.000 1.139 285 R HN 0.531 nan 8.270 nan 0.000 0.536 286 I N 4.536 124.991 120.570 -0.193 0.000 2.331 286 I HA 0.225 4.395 4.170 -0.000 0.000 0.292 286 I C -0.666 175.381 176.117 -0.117 0.000 0.998 286 I CA -0.800 60.439 61.300 -0.102 0.000 1.267 286 I CB 1.049 39.008 38.000 -0.069 0.000 1.386 286 I HN 0.519 nan 8.210 nan 0.000 0.476 287 Y N 4.882 125.277 120.300 0.158 0.000 2.342 287 Y HA 0.613 5.163 4.550 -0.000 0.000 0.338 287 Y C 0.309 176.463 175.900 0.423 0.000 0.965 287 Y CA -0.723 57.556 58.100 0.298 0.000 1.159 287 Y CB 1.698 40.270 38.460 0.186 0.000 1.157 287 Y HN 0.595 nan 8.280 nan 0.000 0.486 288 A N 4.037 127.192 122.820 0.559 0.000 2.330 288 A HA 0.421 4.741 4.320 -0.000 0.000 0.313 288 A C -0.622 176.889 177.584 -0.121 0.000 1.124 288 A CA -0.856 51.355 52.037 0.291 0.000 0.774 288 A CB 0.994 20.142 19.000 0.247 0.000 1.198 288 A HN 0.786 nan 8.150 nan 0.000 0.465 289 Q N 1.559 120.968 119.800 -0.651 0.000 2.361 289 Q HA 0.070 4.410 4.340 -0.000 0.000 0.276 289 Q C 0.672 176.430 176.000 -0.404 0.000 1.022 289 Q CA 0.278 55.393 55.803 -1.146 0.000 0.898 289 Q CB 0.596 28.811 28.738 -0.872 0.000 1.246 289 Q HN 0.727 nan 8.270 nan 0.000 0.410 290 K N 2.141 122.329 120.400 -0.354 0.000 2.160 290 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 290 K C 1.665 178.237 176.600 -0.046 0.000 1.047 290 K CA 1.443 57.643 56.287 -0.145 0.000 0.930 290 K CB -0.227 32.194 32.500 -0.132 0.000 0.720 290 K HN 0.868 nan 8.250 nan 0.000 0.450 291 G N 1.412 110.175 108.800 -0.062 0.000 2.418 291 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 291 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 291 G C 1.373 176.284 174.900 0.018 0.000 1.158 291 G CA 1.251 46.345 45.100 -0.010 0.000 0.771 291 G HN 0.387 nan 8.290 nan 0.000 0.545 292 I N -2.977 117.602 120.570 0.016 0.000 3.956 292 I HA 0.373 4.543 4.170 -0.000 0.000 0.333 292 I C 1.962 178.104 176.117 0.042 0.000 1.302 292 I CA -1.307 60.009 61.300 0.026 0.000 1.122 292 I CB -0.558 37.456 38.000 0.022 0.000 1.013 292 I HN 0.100 nan 8.210 nan 0.000 0.405 293 Y N 2.501 122.765 120.300 -0.059 0.000 2.053 293 Y HA -0.323 4.227 4.550 0.000 0.000 0.277 293 Y C 2.083 177.967 175.900 -0.027 0.000 1.159 293 Y CA 2.301 60.375 58.100 -0.043 0.000 1.125 293 Y CB -0.272 38.163 38.460 -0.041 0.000 0.969 293 Y HN 0.182 nan 8.280 nan 0.000 0.492 294 D N -1.002 119.436 120.400 0.063 0.000 2.144 294 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 294 D C 2.160 178.402 176.300 -0.097 0.000 0.984 294 D CA 1.872 55.845 54.000 -0.043 0.000 0.834 294 D CB -0.469 40.370 40.800 0.065 0.000 0.955 294 D HN 0.409 nan 8.370 nan 0.000 0.465 295 T N 1.313 115.834 114.554 -0.055 0.000 2.708 295 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 295 T C 1.912 176.555 174.700 -0.096 0.000 1.037 295 T CA 0.570 62.635 62.100 -0.058 0.000 1.146 295 T CB -0.319 68.533 68.868 -0.027 0.000 0.865 295 T HN 0.041 nan 8.240 nan 0.000 0.435 296 L N 1.416 122.566 121.223 -0.122 0.000 2.017 296 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 296 L C 2.450 179.205 176.870 -0.191 0.000 1.073 296 L CA 1.570 56.320 54.840 -0.149 0.000 0.745 296 L CB -0.898 41.071 42.059 -0.151 0.000 0.894 296 L HN 0.072 nan 8.230 nan 0.000 0.432 297 V N 0.063 119.806 119.914 -0.285 0.000 2.287 297 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 297 V C 2.632 178.627 176.094 -0.166 0.000 1.053 297 V CA 2.133 64.267 62.300 -0.276 0.000 1.027 297 V CB -0.729 30.848 31.823 -0.410 0.000 0.646 297 V HN 0.658 nan 8.190 nan 0.000 0.447 298 E N 0.199 120.317 120.200 -0.138 0.000 2.051 298 E HA -0.276 4.074 4.350 -0.000 0.000 0.192 298 E C 2.240 178.789 176.600 -0.085 0.000 0.991 298 E CA 1.593 57.938 56.400 -0.092 0.000 0.799 298 E CB -0.065 29.593 29.700 -0.069 0.000 0.748 298 E HN 0.588 nan 8.360 nan 0.000 0.449 299 K N 0.035 120.381 120.400 -0.089 0.000 2.097 299 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 299 K C 2.151 178.696 176.600 -0.093 0.000 1.050 299 K CA 0.815 57.053 56.287 -0.082 0.000 0.938 299 K CB -0.112 32.342 32.500 -0.076 0.000 0.718 299 K HN 0.122 nan 8.250 nan 0.000 0.442 300 L N 0.781 121.940 121.223 -0.107 0.000 2.056 300 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 300 L C 2.079 178.892 176.870 -0.095 0.000 1.078 300 L CA 1.833 56.610 54.840 -0.105 0.000 0.749 300 L CB -1.047 40.946 42.059 -0.110 0.000 0.901 300 L HN 0.185 nan 8.230 nan 0.000 0.433 301 G N -0.966 107.780 108.800 -0.091 0.000 2.440 301 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 301 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 301 G C 1.578 176.424 174.900 -0.089 0.000 1.154 301 G CA 0.850 45.901 45.100 -0.082 0.000 0.767 301 G HN 0.614 nan 8.290 nan 0.000 0.552 302 A N 0.875 123.644 122.820 -0.084 0.000 1.968 302 A HA 0.396 4.716 4.320 -0.000 0.000 0.217 302 A C 2.751 180.279 177.584 -0.094 0.000 1.169 302 A CA 1.983 53.972 52.037 -0.080 0.000 0.638 302 A CB -0.562 18.399 19.000 -0.066 0.000 0.812 302 A HN 0.716 nan 8.150 nan 0.000 0.446 303 A N -0.646 122.112 122.820 -0.103 0.000 1.929 303 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 303 A C 2.152 179.639 177.584 -0.161 0.000 1.176 303 A CA 1.551 53.518 52.037 -0.117 0.000 0.628 303 A CB -0.708 18.223 19.000 -0.114 0.000 0.816 303 A HN 0.332 nan 8.150 nan 0.000 0.444 304 V N -0.131 119.666 119.914 -0.194 0.000 2.515 304 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 304 V C 2.950 178.882 176.094 -0.271 0.000 1.058 304 V CA 1.645 63.747 62.300 -0.329 0.000 1.064 304 V CB -0.964 30.652 31.823 -0.344 0.000 0.675 304 V HN 0.585 nan 8.190 nan 0.000 0.461 305 A N 0.516 123.232 122.820 -0.174 0.000 2.070 305 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 305 A C 2.282 179.793 177.584 -0.121 0.000 1.159 305 A CA 2.008 53.964 52.037 -0.134 0.000 0.656 305 A CB -0.672 18.269 19.000 -0.099 0.000 0.800 305 A HN 0.639 nan 8.150 nan 0.000 0.453 306 T N -2.489 111.991 114.554 -0.122 0.000 3.107 306 T HA 0.375 4.725 4.350 -0.000 0.000 0.249 306 T C 0.444 175.086 174.700 -0.098 0.000 1.096 306 T CA -0.317 61.725 62.100 -0.096 0.000 1.012 306 T CB -0.573 68.247 68.868 -0.080 0.000 0.977 306 T HN 0.213 nan 8.240 nan 0.000 0.527 307 L N 2.117 123.260 121.223 -0.133 0.000 2.513 307 L HA 0.208 4.548 4.340 -0.000 0.000 0.272 307 L C 0.658 177.488 176.870 -0.068 0.000 1.187 307 L CA 0.020 54.792 54.840 -0.114 0.000 0.895 307 L CB 0.466 42.416 42.059 -0.181 0.000 1.147 307 L HN 0.173 nan 8.230 nan 0.000 0.483 308 K N 3.045 123.425 120.400 -0.033 0.000 2.248 308 K HA 0.281 4.601 4.320 -0.000 0.000 0.281 308 K C -0.372 176.232 176.600 0.007 0.000 1.054 308 K CA -0.383 55.892 56.287 -0.020 0.000 0.903 308 K CB 0.970 33.464 32.500 -0.011 0.000 1.077 308 K HN 0.688 nan 8.250 nan 0.000 0.474 309 S N 1.944 117.637 115.700 -0.012 0.000 2.549 309 S HA 0.887 5.357 4.470 -0.000 0.000 0.297 309 S C 0.080 174.641 174.600 -0.065 0.000 1.115 309 S CA -0.555 57.654 58.200 0.015 0.000 1.059 309 S CB 1.975 65.206 63.200 0.053 0.000 1.046 309 S HN 0.810 nan 8.310 nan 0.000 0.506 310 G N 0.277 109.062 108.800 -0.025 0.000 2.348 310 G HA2 0.617 4.577 3.960 -0.000 0.000 0.296 310 G HA3 0.617 4.577 3.960 -0.000 0.000 0.296 310 G C -0.849 174.074 174.900 0.039 0.000 1.258 310 G CA -0.412 44.651 45.100 -0.063 0.000 0.868 310 G HN 1.271 nan 8.290 nan 0.000 0.488 311 A N 0.384 123.221 122.820 0.028 0.000 2.511 311 A HA 0.567 4.887 4.320 -0.000 0.000 0.242 311 A C -0.934 176.697 177.584 0.077 0.000 1.069 311 A CA -0.097 51.977 52.037 0.062 0.000 0.763 311 A CB 0.208 19.227 19.000 0.031 0.000 1.001 311 A HN 0.313 nan 8.150 nan 0.000 0.498 312 P HA -0.103 nan 4.420 nan 0.000 0.218 312 P C 0.270 177.602 177.300 0.054 0.000 1.149 312 P CA 1.213 64.345 63.100 0.053 0.000 0.817 312 P CB 0.166 31.883 31.700 0.028 0.000 0.785 313 D N -1.378 119.053 120.400 0.051 0.000 2.363 313 D HA -0.041 4.599 4.640 -0.000 0.000 0.226 313 D C 0.377 176.719 176.300 0.070 0.000 1.020 313 D CA 0.717 54.749 54.000 0.054 0.000 0.892 313 D CB -0.555 40.265 40.800 0.033 0.000 0.900 313 D HN 0.169 nan 8.370 nan 0.000 0.531 314 D N 0.691 121.138 120.400 0.078 0.000 2.249 314 D HA 0.032 4.672 4.640 -0.000 0.000 0.246 314 D C 0.829 177.208 176.300 0.131 0.000 1.114 314 D CA -0.088 53.958 54.000 0.076 0.000 0.854 314 D CB 1.080 41.911 40.800 0.050 0.000 1.132 314 D HN 0.013 nan 8.370 nan 0.000 0.461 315 E N 1.182 121.443 120.200 0.101 0.000 2.265 315 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 315 E C 1.612 178.207 176.600 -0.009 0.000 0.996 315 E CA 0.865 57.309 56.400 0.073 0.000 0.832 315 E CB 0.184 29.878 29.700 -0.011 0.000 0.756 315 E HN 0.484 nan 8.360 nan 0.000 0.491 316 S N -0.152 115.565 115.700 0.028 0.000 2.527 316 S HA -0.007 4.463 4.470 -0.000 0.000 0.222 316 S C 1.017 175.662 174.600 0.075 0.000 0.985 316 S CA -0.060 58.150 58.200 0.016 0.000 0.921 316 S CB 0.081 63.283 63.200 0.004 0.000 0.772 316 S HN -0.095 nan 8.310 nan 0.000 0.529 317 T N 2.985 117.622 114.554 0.138 0.000 2.834 317 T HA 0.203 4.553 4.350 -0.000 0.000 0.298 317 T C 0.638 175.466 174.700 0.213 0.000 0.966 317 T CA 0.030 62.214 62.100 0.141 0.000 1.141 317 T CB 1.056 69.998 68.868 0.123 0.000 0.905 317 T HN 0.450 nan 8.240 nan 0.000 0.535 318 E N 1.576 121.855 120.200 0.132 0.000 2.372 318 E HA 0.164 4.514 4.350 -0.000 0.000 0.201 318 E C -0.037 176.603 176.600 0.066 0.000 0.938 318 E CA -0.116 56.359 56.400 0.125 0.000 0.944 318 E CB 0.480 30.231 29.700 0.085 0.000 0.937 318 E HN 0.222 nan 8.360 nan 0.000 0.495 319 L N 1.005 122.270 121.223 0.069 0.000 2.343 319 L HA 0.526 4.866 4.340 -0.000 0.000 0.278 319 L C -0.044 176.899 176.870 0.122 0.000 0.996 319 L CA -0.519 54.365 54.840 0.074 0.000 0.831 319 L CB 1.401 43.513 42.059 0.088 0.000 1.232 319 L HN -0.030 nan 8.230 nan 0.000 0.413 320 G N 4.662 113.485 108.800 0.039 0.000 2.525 320 G HA2 0.623 4.583 3.960 -0.000 0.000 0.287 320 G HA3 0.623 4.583 3.960 -0.000 0.000 0.287 320 G C -2.747 172.047 174.900 -0.178 0.000 1.350 320 G CA -0.988 44.105 45.100 -0.011 0.000 1.039 320 G HN 0.543 nan 8.290 nan 0.000 0.513 321 P HA 0.368 nan 4.420 nan 0.000 0.284 321 P C -0.191 176.972 177.300 -0.229 0.000 1.292 321 P CA -0.638 62.046 63.100 -0.694 0.000 0.800 321 P CB 1.323 32.365 31.700 -1.096 0.000 1.188 322 L N 0.223 121.393 121.223 -0.089 0.000 2.475 322 L HA 0.121 4.461 4.340 -0.000 0.000 0.253 322 L C 2.164 179.050 176.870 0.025 0.000 1.198 322 L CA -0.063 54.794 54.840 0.027 0.000 0.814 322 L CB 0.290 42.378 42.059 0.048 0.000 1.134 322 L HN 0.456 nan 8.230 nan 0.000 0.478 323 S N -1.013 114.642 115.700 -0.075 0.000 2.447 323 S HA -0.026 4.444 4.470 -0.000 0.000 0.233 323 S C 0.557 175.023 174.600 -0.223 0.000 1.006 323 S CA 0.424 58.464 58.200 -0.265 0.000 0.957 323 S CB -0.203 62.442 63.200 -0.926 0.000 0.773 323 S HN 0.759 nan 8.310 nan 0.000 0.507 324 S N -0.958 114.561 115.700 -0.302 0.000 2.611 324 S HA 0.521 4.991 4.470 -0.000 0.000 0.268 324 S C 0.034 174.029 174.600 -1.009 0.000 1.156 324 S CA -0.532 57.286 58.200 -0.637 0.000 0.817 324 S CB 0.732 63.627 63.200 -0.508 0.000 1.122 324 S HN 0.127 nan 8.310 nan 0.000 0.466 325 L N 1.756 122.167 121.223 -1.353 0.000 2.046 325 L HA 0.215 4.555 4.340 -0.000 0.000 0.208 325 L C 2.726 179.328 176.870 -0.446 0.000 1.077 325 L CA 2.764 57.049 54.840 -0.926 0.000 0.747 325 L CB -1.337 40.317 42.059 -0.675 0.000 0.896 325 L HN 0.998 nan 8.230 nan 0.000 0.432 326 A N -1.420 121.187 122.820 -0.356 0.000 1.877 326 A HA -0.312 4.008 4.320 -0.000 0.000 0.216 326 A C 2.313 179.828 177.584 -0.115 0.000 1.186 326 A CA 1.886 53.808 52.037 -0.192 0.000 0.620 326 A CB -1.047 17.862 19.000 -0.151 0.000 0.822 326 A HN 0.684 nan 8.150 nan 0.000 0.443 327 H N -0.608 118.314 119.070 -0.248 0.000 2.389 327 H HA -0.049 4.507 4.556 -0.000 0.000 0.299 327 H C 1.745 176.996 175.328 -0.129 0.000 1.081 327 H CA 1.568 57.525 56.048 -0.151 0.000 1.345 327 H CB -0.279 29.375 29.762 -0.179 0.000 1.393 327 H HN 0.325 nan 8.280 nan 0.000 0.520 328 L N 0.768 121.852 121.223 -0.231 0.000 2.046 328 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 328 L C 1.957 178.726 176.870 -0.168 0.000 1.077 328 L CA 1.887 56.607 54.840 -0.200 0.000 0.747 328 L CB -0.518 41.482 42.059 -0.098 0.000 0.896 328 L HN 0.343 nan 8.230 nan 0.000 0.432 329 E N -0.708 119.407 120.200 -0.142 0.000 2.106 329 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 329 E C 2.274 178.812 176.600 -0.104 0.000 0.984 329 E CA 1.101 57.445 56.400 -0.094 0.000 0.806 329 E CB -0.108 29.544 29.700 -0.081 0.000 0.750 329 E HN 0.515 nan 8.360 nan 0.000 0.458 330 R N 0.428 120.857 120.500 -0.118 0.000 2.081 330 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 330 R C 2.459 178.664 176.300 -0.159 0.000 1.131 330 R CA 1.005 57.051 56.100 -0.091 0.000 0.960 330 R CB -0.366 29.931 30.300 -0.005 0.000 0.856 330 R HN 0.043 nan 8.270 nan 0.000 0.436 331 V N 0.409 120.137 119.914 -0.311 0.000 2.295 331 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 331 V C 2.434 178.301 176.094 -0.379 0.000 1.049 331 V CA 2.189 64.250 62.300 -0.399 0.000 1.024 331 V CB -0.996 30.461 31.823 -0.610 0.000 0.648 331 V HN 0.562 nan 8.190 nan 0.000 0.447 332 G N -0.606 108.007 108.800 -0.311 0.000 2.440 332 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 332 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 332 G C 1.706 176.582 174.900 -0.040 0.000 1.154 332 G CA 0.808 45.853 45.100 -0.090 0.000 0.767 332 G HN 0.331 nan 8.290 nan 0.000 0.552 333 K N 0.714 121.081 120.400 -0.057 0.000 2.032 333 K HA -0.014 4.306 4.320 -0.000 0.000 0.209 333 K C 2.967 179.547 176.600 -0.034 0.000 1.048 333 K CA 1.252 57.520 56.287 -0.033 0.000 0.927 333 K CB -0.623 31.858 32.500 -0.031 0.000 0.712 333 K HN 0.251 nan 8.250 nan 0.000 0.441 334 A N 0.742 123.528 122.820 -0.056 0.000 1.940 334 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 334 A C 2.446 180.008 177.584 -0.037 0.000 1.176 334 A CA 1.650 53.661 52.037 -0.043 0.000 0.631 334 A CB -0.585 18.385 19.000 -0.049 0.000 0.814 334 A HN 0.104 nan 8.150 nan 0.000 0.446 335 V N 0.010 119.897 119.914 -0.045 0.000 2.358 335 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 335 V C 2.393 178.494 176.094 0.012 0.000 1.047 335 V CA 2.200 64.499 62.300 -0.001 0.000 1.035 335 V CB -0.774 31.087 31.823 0.062 0.000 0.658 335 V HN 0.639 nan 8.190 nan 0.000 0.452 336 E N -0.216 119.993 120.200 0.015 0.000 2.110 336 E HA -0.283 4.067 4.350 -0.000 0.000 0.193 336 E C 2.236 178.830 176.600 -0.009 0.000 0.988 336 E CA 1.404 57.810 56.400 0.010 0.000 0.804 336 E CB -0.100 29.607 29.700 0.013 0.000 0.745 336 E HN 0.689 nan 8.360 nan 0.000 0.458 337 E N 0.661 120.852 120.200 -0.015 0.000 2.077 337 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 337 E C 2.039 178.616 176.600 -0.039 0.000 0.989 337 E CA 0.959 57.346 56.400 -0.022 0.000 0.800 337 E CB -0.043 29.647 29.700 -0.016 0.000 0.746 337 E HN 0.218 nan 8.360 nan 0.000 0.452 338 A N 1.377 124.173 122.820 -0.039 0.000 1.902 338 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 338 A C 2.017 179.548 177.584 -0.089 0.000 1.181 338 A CA 1.631 53.630 52.037 -0.064 0.000 0.623 338 A CB -0.338 18.637 19.000 -0.041 0.000 0.818 338 A HN 0.152 nan 8.150 nan 0.000 0.443 339 K N -0.365 120.003 120.400 -0.054 0.000 2.148 339 K HA 0.016 4.336 4.320 -0.000 0.000 0.204 339 K C 2.075 178.636 176.600 -0.063 0.000 1.050 339 K CA 0.975 57.231 56.287 -0.053 0.000 0.942 339 K CB -0.277 32.211 32.500 -0.020 0.000 0.724 339 K HN 0.424 nan 8.250 nan 0.000 0.446 340 A N 1.030 123.818 122.820 -0.053 0.000 2.172 340 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 340 A C 2.066 179.611 177.584 -0.064 0.000 1.154 340 A CA 1.311 53.322 52.037 -0.044 0.000 0.701 340 A CB -0.640 18.344 19.000 -0.027 0.000 0.789 340 A HN 0.175 nan 8.150 nan 0.000 0.465 341 T N -1.122 113.359 114.554 -0.122 0.000 2.833 341 T HA 0.132 4.482 4.350 -0.000 0.000 0.269 341 T C 1.676 176.268 174.700 -0.180 0.000 1.054 341 T CA 2.102 64.082 62.100 -0.199 0.000 1.135 341 T CB -0.319 68.305 68.868 -0.406 0.000 0.869 341 T HN 1.398 nan 8.240 nan 0.000 0.466 342 G N 0.694 109.407 108.800 -0.146 0.000 2.253 342 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.251 342 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.251 342 G C 0.652 175.547 174.900 -0.008 0.000 0.998 342 G CA 0.606 45.677 45.100 -0.047 0.000 0.621 342 G HN 0.749 nan 8.290 nan 0.000 0.524 343 H N -0.666 118.410 119.070 0.009 0.000 2.784 343 H HA 0.559 5.115 4.556 -0.000 0.000 0.273 343 H C 0.578 175.917 175.328 0.018 0.000 1.112 343 H CA -0.314 55.742 56.048 0.012 0.000 1.162 343 H CB 0.377 30.144 29.762 0.007 0.000 1.586 343 H HN 0.375 nan 8.280 nan 0.000 0.548 344 I N 2.076 122.569 120.570 -0.128 0.000 2.377 344 I HA 0.233 4.403 4.170 -0.000 0.000 0.293 344 I C -0.112 176.002 176.117 -0.004 0.000 0.987 344 I CA -0.723 60.556 61.300 -0.036 0.000 1.185 344 I CB 2.277 40.219 38.000 -0.097 0.000 1.341 344 I HN -0.008 nan 8.210 nan 0.000 0.455 345 K N 5.301 125.720 120.400 0.032 0.000 2.182 345 K HA 0.525 4.845 4.320 -0.000 0.000 0.262 345 K C -1.146 175.464 176.600 0.017 0.000 0.957 345 K CA -0.616 55.685 56.287 0.024 0.000 0.842 345 K CB 1.767 34.289 32.500 0.038 0.000 1.099 345 K HN 0.365 nan 8.250 nan 0.000 0.438 346 V N 6.696 126.616 119.914 0.010 0.000 2.389 346 V HA 0.034 4.154 4.120 -0.000 0.000 0.264 346 V C 1.316 177.411 176.094 0.002 0.000 1.049 346 V CA -0.377 61.929 62.300 0.011 0.000 0.932 346 V CB 0.732 32.561 31.823 0.010 0.000 1.011 346 V HN 0.818 nan 8.190 nan 0.000 0.475 347 I N 3.151 123.720 120.570 -0.001 0.000 2.406 347 I HA 0.034 4.204 4.170 -0.000 0.000 0.249 347 I C 1.118 177.221 176.117 -0.023 0.000 1.122 347 I CA 1.351 62.641 61.300 -0.017 0.000 1.431 347 I CB -0.398 37.583 38.000 -0.031 0.000 1.087 347 I HN 0.724 nan 8.210 nan 0.000 0.424 348 T N -1.363 113.181 114.554 -0.017 0.000 2.830 348 T HA 0.514 4.864 4.350 -0.000 0.000 0.322 348 T C -0.050 174.642 174.700 -0.014 0.000 1.501 348 T CA 0.321 62.404 62.100 -0.029 0.000 1.036 348 T CB 1.286 70.123 68.868 -0.053 0.000 1.379 348 T HN 0.595 nan 8.240 nan 0.000 0.493 349 G N 1.985 110.763 108.800 -0.036 0.000 2.509 349 G HA2 0.276 4.236 3.960 -0.000 0.000 0.259 349 G HA3 0.276 4.236 3.960 -0.000 0.000 0.259 349 G C 1.062 175.936 174.900 -0.043 0.000 1.169 349 G CA 1.140 46.213 45.100 -0.045 0.000 0.953 349 G HN 2.502 nan 8.290 nan 0.000 0.563 350 G N -0.623 108.182 108.800 0.008 0.000 2.160 350 G HA2 0.110 4.070 3.960 -0.000 0.000 0.244 350 G HA3 0.110 4.070 3.960 -0.000 0.000 0.244 350 G C -0.028 174.824 174.900 -0.080 0.000 1.022 350 G CA 1.801 46.942 45.100 0.070 0.000 0.741 350 G HN 1.459 nan 8.290 nan 0.000 0.508 351 E N -0.786 119.126 120.200 -0.479 0.000 2.392 351 E HA 0.365 4.715 4.350 -0.000 0.000 0.279 351 E C -0.055 175.993 176.600 -0.919 0.000 0.964 351 E CA -1.069 55.038 56.400 -0.488 0.000 0.777 351 E CB 1.578 31.136 29.700 -0.237 0.000 1.249 351 E HN 0.405 nan 8.360 nan 0.000 0.449 352 K N 1.765 121.874 120.400 -0.486 0.000 2.202 352 K HA 0.356 4.676 4.320 -0.000 0.000 0.264 352 K C -0.223 176.278 176.600 -0.165 0.000 1.010 352 K CA -0.545 55.586 56.287 -0.261 0.000 0.940 352 K CB 1.134 33.662 32.500 0.046 0.000 0.983 352 K HN 0.292 nan 8.250 nan 0.000 0.475 353 R N 2.019 122.481 120.500 -0.062 0.000 2.441 353 R HA 0.129 4.469 4.340 -0.000 0.000 0.284 353 R C -0.115 176.172 176.300 -0.022 0.000 1.070 353 R CA -0.469 55.599 56.100 -0.052 0.000 1.047 353 R CB 0.859 31.142 30.300 -0.028 0.000 1.016 353 R HN 0.607 nan 8.270 nan 0.000 0.477 354 K N 0.865 121.236 120.400 -0.049 0.000 2.355 354 K HA 0.290 4.610 4.320 -0.000 0.000 0.270 354 K C 0.498 177.077 176.600 -0.036 0.000 1.003 354 K CA 0.489 56.756 56.287 -0.034 0.000 0.957 354 K CB 0.678 33.151 32.500 -0.045 0.000 0.939 354 K HN 0.866 nan 8.250 nan 0.000 0.482 355 G N 1.136 109.928 108.800 -0.013 0.000 2.462 355 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.685 355 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.685 355 G C -1.113 173.801 174.900 0.023 0.000 1.295 355 G CA -0.952 44.139 45.100 -0.015 0.000 0.941 355 G HN 0.807 nan 8.290 nan 0.000 0.554 356 N N 0.466 119.175 118.700 0.016 0.000 2.467 356 N HA 0.522 5.262 4.740 -0.000 0.000 0.262 356 N C 0.643 176.185 175.510 0.053 0.000 1.234 356 N CA 0.223 53.288 53.050 0.024 0.000 0.952 356 N CB 1.571 40.059 38.487 0.002 0.000 1.158 356 N HN 2.439 nan 8.380 nan 0.000 0.463 357 G N -0.322 108.434 108.800 -0.072 0.000 2.712 357 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.683 357 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.683 357 G C -1.356 173.464 174.900 -0.134 0.000 1.320 357 G CA -0.706 44.234 45.100 -0.267 0.000 0.847 357 G HN 0.580 nan 8.290 nan 0.000 0.553 358 Y N 0.083 120.338 120.300 -0.075 0.000 2.783 358 Y HA 0.518 5.068 4.550 0.000 0.000 0.382 358 Y C 0.501 176.341 175.900 -0.100 0.000 1.076 358 Y CA -1.571 56.481 58.100 -0.079 0.000 1.530 358 Y CB -0.422 37.958 38.460 -0.133 0.000 1.546 358 Y HN 0.452 nan 8.280 nan 0.000 0.537 359 Y N 0.047 120.417 120.300 0.117 0.000 2.304 359 Y HA 0.332 4.882 4.550 -0.000 0.000 0.328 359 Y C -0.271 175.708 175.900 0.132 0.000 1.123 359 Y CA -0.692 57.463 58.100 0.091 0.000 1.218 359 Y CB 0.785 39.258 38.460 0.023 0.000 1.207 359 Y HN 0.311 nan 8.280 nan 0.000 0.495 360 Y N 1.644 122.037 120.300 0.155 0.000 2.462 360 Y HA 0.686 5.236 4.550 0.000 0.000 0.346 360 Y C -0.332 175.622 175.900 0.091 0.000 0.976 360 Y CA -1.440 56.714 58.100 0.089 0.000 1.044 360 Y CB 1.188 39.669 38.460 0.035 0.000 1.230 360 Y HN 0.731 nan 8.280 nan 0.000 0.455 361 A N 7.354 130.035 122.820 -0.232 0.000 2.462 361 A HA 0.341 4.661 4.320 -0.000 0.000 0.243 361 A C -2.536 175.110 177.584 0.104 0.000 1.076 361 A CA -1.332 50.651 52.037 -0.091 0.000 0.773 361 A CB -0.572 18.302 19.000 -0.210 0.000 1.010 361 A HN 0.503 nan 8.150 nan 0.000 0.493 362 P HA 0.121 nan 4.420 nan 0.000 0.266 362 P C -0.457 176.895 177.300 0.088 0.000 1.215 362 P CA 0.524 63.663 63.100 0.065 0.000 0.763 362 P CB 0.429 31.988 31.700 -0.235 0.000 0.806 363 T N 4.310 119.038 114.554 0.290 0.000 2.841 363 T HA 0.502 4.852 4.350 -0.000 0.000 0.283 363 T C -0.562 174.270 174.700 0.220 0.000 1.000 363 T CA -0.415 61.813 62.100 0.215 0.000 0.977 363 T CB 1.153 70.184 68.868 0.271 0.000 0.979 363 T HN 0.203 nan 8.240 nan 0.000 0.446 364 L N 3.991 125.283 121.223 0.115 0.000 2.376 364 L HA 0.661 5.001 4.340 -0.000 0.000 0.275 364 L C -1.639 175.254 176.870 0.038 0.000 0.987 364 L CA -0.579 54.310 54.840 0.081 0.000 0.828 364 L CB 1.045 43.129 42.059 0.042 0.000 1.249 364 L HN 0.593 nan 8.230 nan 0.000 0.409 365 L N 4.941 126.181 121.223 0.027 0.000 2.341 365 L HA 0.917 5.257 4.340 -0.000 0.000 0.278 365 L C -0.230 176.653 176.870 0.023 0.000 1.005 365 L CA -0.654 54.199 54.840 0.021 0.000 0.818 365 L CB 1.806 43.875 42.059 0.016 0.000 1.259 365 L HN 0.767 nan 8.230 nan 0.000 0.418 366 A N 1.280 124.125 122.820 0.042 0.000 2.380 366 A HA 0.783 5.103 4.320 -0.000 0.000 0.315 366 A C 0.601 178.280 177.584 0.159 0.000 1.101 366 A CA 0.125 52.219 52.037 0.095 0.000 0.771 366 A CB 1.577 20.610 19.000 0.055 0.000 1.287 366 A HN 1.030 nan 8.150 nan 0.000 0.436 367 G N -0.625 108.329 108.800 0.258 0.000 2.132 367 G HA2 0.223 4.183 3.960 -0.000 0.000 0.234 367 G HA3 0.223 4.183 3.960 -0.000 0.000 0.234 367 G C 0.506 175.524 174.900 0.195 0.000 0.989 367 G CA 0.294 45.519 45.100 0.208 0.000 0.676 367 G HN 2.142 nan 8.290 nan 0.000 0.522 368 A N 0.109 123.016 122.820 0.144 0.000 2.401 368 A HA 0.736 5.056 4.320 -0.000 0.000 0.259 368 A C 0.647 178.265 177.584 0.056 0.000 1.103 368 A CA -0.006 52.100 52.037 0.115 0.000 0.789 368 A CB 0.393 19.416 19.000 0.037 0.000 1.035 368 A HN 0.852 nan 8.150 nan 0.000 0.491 369 L N 1.444 122.700 121.223 0.055 0.000 2.375 369 L HA 0.299 4.639 4.340 -0.000 0.000 0.268 369 L C 1.605 178.380 176.870 -0.159 0.000 1.058 369 L CA -0.671 54.113 54.840 -0.094 0.000 0.803 369 L CB 1.035 43.003 42.059 -0.151 0.000 1.212 369 L HN 0.964 nan 8.230 nan 0.000 0.451 370 Q N 0.863 120.442 119.800 -0.368 0.000 2.133 370 Q HA -0.234 4.106 4.340 -0.000 0.000 0.208 370 Q C 1.010 176.887 176.000 -0.205 0.000 0.991 370 Q CA 2.087 57.635 55.803 -0.424 0.000 0.867 370 Q CB -0.001 28.120 28.738 -1.027 0.000 0.911 370 Q HN 0.617 nan 8.270 nan 0.000 0.417 371 D N 0.303 120.609 120.400 -0.157 0.000 2.340 371 D HA 0.021 4.661 4.640 -0.000 0.000 0.220 371 D C -0.531 175.762 176.300 -0.012 0.000 1.039 371 D CA 0.129 54.089 54.000 -0.066 0.000 0.866 371 D CB -0.063 40.705 40.800 -0.054 0.000 0.913 371 D HN 0.310 nan 8.370 nan 0.000 0.523 372 D N 0.249 120.650 120.400 0.003 0.000 2.372 372 D HA 0.138 4.778 4.640 -0.000 0.000 0.243 372 D C 1.338 177.652 176.300 0.023 0.000 1.121 372 D CA -0.082 53.941 54.000 0.038 0.000 0.898 372 D CB 1.382 42.225 40.800 0.072 0.000 1.202 372 D HN -0.066 nan 8.370 nan 0.000 0.428 373 A N 2.398 125.232 122.820 0.024 0.000 1.948 373 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 373 A C 2.035 179.635 177.584 0.027 0.000 1.177 373 A CA 1.087 53.141 52.037 0.028 0.000 0.636 373 A CB -0.495 18.517 19.000 0.020 0.000 0.815 373 A HN 0.563 nan 8.150 nan 0.000 0.449 374 I N -0.585 119.990 120.570 0.008 0.000 2.567 374 I HA -0.134 4.036 4.170 -0.000 0.000 0.257 374 I C 1.913 178.024 176.117 -0.009 0.000 1.184 374 I CA 1.130 62.428 61.300 -0.004 0.000 1.451 374 I CB 0.103 38.093 38.000 -0.017 0.000 1.089 374 I HN 0.107 nan 8.210 nan 0.000 0.441 375 V N -0.564 119.348 119.914 -0.004 0.000 2.949 375 V HA -0.014 4.106 4.120 -0.000 0.000 0.245 375 V C 2.084 178.211 176.094 0.056 0.000 1.086 375 V CA 0.778 63.069 62.300 -0.015 0.000 1.097 375 V CB -0.307 31.488 31.823 -0.047 0.000 0.762 375 V HN 0.332 nan 8.190 nan 0.000 0.470 376 Q N 0.329 120.179 119.800 0.083 0.000 2.402 376 Q HA 0.174 4.514 4.340 -0.000 0.000 0.206 376 Q C 0.433 176.590 176.000 0.262 0.000 0.919 376 Q CA 0.564 56.461 55.803 0.156 0.000 0.923 376 Q CB 0.407 29.205 28.738 0.101 0.000 1.048 376 Q HN 0.526 nan 8.270 nan 0.000 0.515 377 K N 1.168 121.681 120.400 0.188 0.000 2.345 377 K HA 0.267 4.587 4.320 -0.000 0.000 0.255 377 K C -0.614 176.057 176.600 0.119 0.000 0.934 377 K CA -0.453 55.973 56.287 0.231 0.000 0.801 377 K CB 2.212 34.799 32.500 0.145 0.000 1.137 377 K HN -0.039 nan 8.250 nan 0.000 0.424 378 E N 1.955 122.212 120.200 0.096 0.000 2.465 378 E HA -0.049 4.301 4.350 -0.000 0.000 0.260 378 E C 0.203 176.853 176.600 0.084 0.000 0.980 378 E CA -0.069 56.318 56.400 -0.023 0.000 0.927 378 E CB 0.675 30.343 29.700 -0.054 0.000 0.934 378 E HN 0.333 nan 8.360 nan 0.000 0.459 379 V N 5.148 125.119 119.914 0.096 0.000 2.788 379 V HA -0.023 4.097 4.120 -0.000 0.000 0.241 379 V C 0.624 176.889 176.094 0.285 0.000 1.083 379 V CA 0.279 62.647 62.300 0.113 0.000 1.103 379 V CB -0.453 31.380 31.823 0.017 0.000 0.800 379 V HN 0.958 nan 8.190 nan 0.000 0.476 380 F N 1.000 120.994 119.950 0.073 0.000 3.071 380 F HA -0.057 4.470 4.527 0.000 0.000 0.295 380 F C 0.450 176.393 175.800 0.238 0.000 0.919 380 F CA 0.713 58.816 58.000 0.172 0.000 1.050 380 F CB -1.085 38.064 39.000 0.249 0.000 1.040 380 F HN 0.265 nan 8.300 nan 0.000 0.692 381 G N -0.332 108.503 108.800 0.058 0.000 2.788 381 G HA2 0.667 4.627 3.960 -0.000 0.000 0.293 381 G HA3 0.667 4.627 3.960 -0.000 0.000 0.293 381 G C -3.070 171.795 174.900 -0.059 0.000 1.392 381 G CA -0.784 44.293 45.100 -0.038 0.000 0.810 381 G HN -0.159 nan 8.290 nan 0.000 0.508 382 P HA 0.349 nan 4.420 nan 0.000 0.226 382 P C -0.714 176.679 177.300 0.155 0.000 1.783 382 P CA -0.180 62.998 63.100 0.130 0.000 0.980 382 P CB 0.290 32.174 31.700 0.305 0.000 1.967 383 V N 1.395 121.274 119.914 -0.057 0.000 2.623 383 V HA 0.356 4.476 4.120 -0.000 0.000 0.304 383 V C -0.083 175.934 176.094 -0.130 0.000 1.054 383 V CA -0.794 61.494 62.300 -0.019 0.000 0.882 383 V CB 2.779 34.582 31.823 -0.033 0.000 1.002 383 V HN -0.088 nan 8.190 nan 0.000 0.424 384 V N 3.652 123.518 119.914 -0.081 0.000 2.604 384 V HA 0.739 4.859 4.120 -0.000 0.000 0.305 384 V C 0.067 176.132 176.094 -0.050 0.000 1.043 384 V CA -0.393 61.837 62.300 -0.116 0.000 0.888 384 V CB 2.429 34.164 31.823 -0.146 0.000 0.995 384 V HN 1.010 nan 8.190 nan 0.000 0.429 385 S N 3.637 119.294 115.700 -0.072 0.000 2.532 385 S HA 0.871 5.341 4.470 -0.000 0.000 0.301 385 S C -0.973 173.589 174.600 -0.063 0.000 1.083 385 S CA -0.689 57.480 58.200 -0.051 0.000 1.025 385 S CB 1.974 65.140 63.200 -0.056 0.000 1.056 385 S HN 0.476 nan 8.310 nan 0.000 0.494 386 V N 2.078 121.987 119.914 -0.008 0.000 2.487 386 V HA 0.606 4.726 4.120 -0.000 0.000 0.298 386 V C -0.275 175.924 176.094 0.175 0.000 1.028 386 V CA -0.499 61.830 62.300 0.048 0.000 0.860 386 V CB 1.651 33.487 31.823 0.022 0.000 0.991 386 V HN 1.049 nan 8.190 nan 0.000 0.427 387 T N 6.903 121.553 114.554 0.159 0.000 2.824 387 T HA 0.530 4.880 4.350 -0.000 0.000 0.282 387 T C -2.815 172.078 174.700 0.322 0.000 0.993 387 T CA -1.326 60.886 62.100 0.186 0.000 0.967 387 T CB 2.216 71.118 68.868 0.057 0.000 0.960 387 T HN 0.434 nan 8.240 nan 0.000 0.441 388 P HA 0.470 nan 4.420 nan 0.000 0.279 388 P C -1.043 176.459 177.300 0.337 0.000 1.239 388 P CA -0.537 62.545 63.100 -0.029 0.000 0.789 388 P CB 0.323 31.737 31.700 -0.477 0.000 0.933 389 F N -0.166 119.882 119.950 0.164 0.000 2.603 389 F HA 0.574 5.101 4.527 -0.000 0.000 0.317 389 F C 0.350 176.138 175.800 -0.020 0.000 1.066 389 F CA -0.877 57.189 58.000 0.109 0.000 0.941 389 F CB 0.927 39.950 39.000 0.039 0.000 1.291 389 F HN 0.078 nan 8.300 nan 0.000 0.472 390 D N 0.357 120.808 120.400 0.085 0.000 2.290 390 D HA 0.015 4.655 4.640 -0.000 0.000 0.224 390 D C -0.194 176.174 176.300 0.113 0.000 0.967 390 D CA 1.011 55.014 54.000 0.004 0.000 0.893 390 D CB 0.093 40.892 40.800 -0.001 0.000 1.037 390 D HN 0.695 nan 8.370 nan 0.000 0.477 391 N N -0.115 118.738 118.700 0.256 0.000 2.647 391 N HA 0.039 4.779 4.740 -0.000 0.000 0.266 391 N C 0.509 176.188 175.510 0.282 0.000 1.373 391 N CA -0.489 52.726 53.050 0.276 0.000 0.807 391 N CB 2.792 41.341 38.487 0.105 0.000 1.513 391 N HN -0.194 nan 8.380 nan 0.000 0.505 392 E N 0.676 121.082 120.200 0.343 0.000 2.070 392 E HA -0.242 4.108 4.350 -0.000 0.000 0.197 392 E C 0.966 177.584 176.600 0.030 0.000 1.004 392 E CA 1.741 58.315 56.400 0.291 0.000 0.805 392 E CB 0.053 29.876 29.700 0.205 0.000 0.744 392 E HN 0.648 nan 8.360 nan 0.000 0.451 393 E N 0.273 120.464 120.200 -0.014 0.000 2.051 393 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 393 E C 2.256 178.749 176.600 -0.180 0.000 0.991 393 E CA 1.170 57.525 56.400 -0.074 0.000 0.799 393 E CB -0.166 29.501 29.700 -0.055 0.000 0.748 393 E HN 0.363 nan 8.360 nan 0.000 0.449 394 Q N 0.847 120.491 119.800 -0.261 0.000 2.061 394 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 394 Q C 2.306 177.838 176.000 -0.781 0.000 0.984 394 Q CA 1.542 57.021 55.803 -0.540 0.000 0.846 394 Q CB -0.071 28.311 28.738 -0.593 0.000 0.902 394 Q HN 0.205 nan 8.270 nan 0.000 0.421 395 V N -0.105 119.401 119.914 -0.681 0.000 2.453 395 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 395 V C 2.187 177.985 176.094 -0.494 0.000 1.048 395 V CA 1.258 63.074 62.300 -0.808 0.000 1.049 395 V CB 0.043 30.996 31.823 -1.449 0.000 0.672 395 V HN 0.313 nan 8.190 nan 0.000 0.457 396 V N 1.042 120.775 119.914 -0.301 0.000 2.343 396 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 396 V C 2.366 178.414 176.094 -0.077 0.000 1.051 396 V CA 2.324 64.543 62.300 -0.134 0.000 1.036 396 V CB -0.943 30.848 31.823 -0.055 0.000 0.654 396 V HN 0.590 nan 8.190 nan 0.000 0.451 397 N N -0.960 117.676 118.700 -0.106 0.000 2.188 397 N HA -0.160 4.580 4.740 -0.000 0.000 0.184 397 N C 1.504 177.082 175.510 0.113 0.000 1.018 397 N CA 1.264 54.305 53.050 -0.016 0.000 0.858 397 N CB -0.348 38.115 38.487 -0.041 0.000 0.989 397 N HN 0.504 nan 8.380 nan 0.000 0.426 398 W N 1.723 122.939 121.300 -0.140 0.000 2.333 398 W HA 0.048 4.708 4.660 -0.000 0.000 0.316 398 W C 2.550 179.009 176.519 -0.100 0.000 1.215 398 W CA 0.906 58.165 57.345 -0.144 0.000 1.278 398 W CB -1.305 27.971 29.460 -0.307 0.000 1.154 398 W HN 0.057 nan 8.180 nan 0.000 0.486 399 A N 0.484 123.321 122.820 0.029 0.000 1.908 399 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 399 A C 1.852 179.630 177.584 0.323 0.000 1.181 399 A CA 2.055 54.179 52.037 0.146 0.000 0.627 399 A CB -0.913 18.110 19.000 0.039 0.000 0.818 399 A HN 0.279 nan 8.150 nan 0.000 0.445 400 N N 0.081 118.908 118.700 0.212 0.000 2.457 400 N HA -0.055 4.685 4.740 -0.000 0.000 0.180 400 N C 0.045 175.617 175.510 0.103 0.000 1.050 400 N CA 0.930 54.068 53.050 0.147 0.000 0.906 400 N CB -0.277 38.254 38.487 0.073 0.000 0.968 400 N HN 0.562 nan 8.380 nan 0.000 0.445 401 D N 0.342 120.828 120.400 0.142 0.000 2.619 401 D HA 0.155 4.795 4.640 -0.000 0.000 0.224 401 D C -0.874 175.505 176.300 0.132 0.000 1.133 401 D CA -0.084 53.986 54.000 0.117 0.000 1.017 401 D CB -0.106 40.777 40.800 0.139 0.000 1.077 401 D HN -0.144 nan 8.370 nan 0.000 0.503 402 S N 1.089 116.857 115.700 0.114 0.000 2.579 402 S HA 0.187 4.657 4.470 -0.000 0.000 0.272 402 S C 0.472 175.088 174.600 0.027 0.000 1.141 402 S CA -0.684 57.604 58.200 0.147 0.000 0.843 402 S CB 1.440 64.826 63.200 0.309 0.000 1.122 402 S HN 0.406 nan 8.310 nan 0.000 0.468 403 Q N 1.160 120.920 119.800 -0.066 0.000 2.424 403 Q HA 0.150 4.490 4.340 -0.000 0.000 0.204 403 Q C -0.609 175.208 176.000 -0.305 0.000 0.933 403 Q CA 0.499 56.160 55.803 -0.237 0.000 0.929 403 Q CB -0.197 28.327 28.738 -0.357 0.000 1.037 403 Q HN 0.643 nan 8.270 nan 0.000 0.511 404 Y N -0.092 120.231 120.300 0.039 0.000 2.354 404 Y HA 0.561 5.111 4.550 0.000 0.000 0.322 404 Y C 1.092 176.959 175.900 -0.056 0.000 1.253 404 Y CA -0.195 57.941 58.100 0.059 0.000 1.272 404 Y CB 1.721 40.284 38.460 0.173 0.000 1.255 404 Y HN 0.069 nan 8.280 nan 0.000 0.500 405 G N 0.870 109.728 108.800 0.097 0.000 5.542 405 G HA2 0.132 4.092 3.960 -0.000 0.000 0.207 405 G HA3 0.132 4.092 3.960 -0.000 0.000 0.207 405 G C -0.014 174.908 174.900 0.036 0.000 0.764 405 G CA -0.158 44.804 45.100 -0.231 0.000 0.692 405 G HN 0.567 nan 8.290 nan 0.000 0.330 406 L N 0.573 121.944 121.223 0.247 0.000 2.121 406 L HA 0.830 5.170 4.340 -0.000 0.000 0.200 406 L C 0.983 177.907 176.870 0.089 0.000 1.077 406 L CA 1.847 56.747 54.840 0.101 0.000 0.766 406 L CB 0.073 42.187 42.059 0.092 0.000 0.931 406 L HN 0.318 nan 8.230 nan 0.000 0.452 407 A N -1.790 121.148 122.820 0.197 0.000 2.593 407 A HA 0.806 5.126 4.320 -0.000 0.000 0.290 407 A C -0.987 176.579 177.584 -0.029 0.000 1.126 407 A CA 0.146 52.188 52.037 0.008 0.000 0.695 407 A CB 1.166 20.188 19.000 0.036 0.000 1.290 407 A HN 0.404 nan 8.150 nan 0.000 0.414 408 S N -0.706 114.950 115.700 -0.073 0.000 2.595 408 S HA 0.822 5.292 4.470 -0.000 0.000 0.270 408 S C -0.763 173.961 174.600 0.207 0.000 1.145 408 S CA 0.095 58.282 58.200 -0.022 0.000 0.825 408 S CB 0.928 63.929 63.200 -0.331 0.000 1.107 408 S HN 2.381 nan 8.310 nan 0.000 0.461 409 S N -0.211 115.706 115.700 0.362 0.000 2.564 409 S HA 0.850 5.320 4.470 -0.000 0.000 0.274 409 S C -1.272 173.539 174.600 0.352 0.000 1.124 409 S CA -0.681 57.765 58.200 0.410 0.000 0.869 409 S CB 1.391 65.030 63.200 0.732 0.000 1.105 409 S HN 2.009 nan 8.310 nan 0.000 0.472 410 V N 1.832 121.862 119.914 0.195 0.000 2.656 410 V HA 0.803 4.923 4.120 -0.000 0.000 0.307 410 V C -2.208 173.982 176.094 0.160 0.000 1.051 410 V CA -0.627 61.845 62.300 0.286 0.000 0.893 410 V CB 1.490 33.450 31.823 0.228 0.000 0.999 410 V HN 0.962 nan 8.190 nan 0.000 0.426 411 W N 4.276 125.739 121.300 0.272 0.000 2.424 411 W HA 0.774 5.434 4.660 -0.000 0.000 0.318 411 W C 0.010 176.707 176.519 0.297 0.000 1.016 411 W CA -0.321 57.168 57.345 0.239 0.000 1.268 411 W CB 1.858 31.440 29.460 0.203 0.000 1.297 411 W HN 0.739 nan 8.180 nan 0.000 0.428 412 T N 1.671 116.432 114.554 0.344 0.000 2.886 412 T HA 0.228 4.578 4.350 -0.000 0.000 0.330 412 T C 0.369 175.155 174.700 0.143 0.000 1.488 412 T CA -0.662 61.595 62.100 0.262 0.000 1.054 412 T CB 1.332 70.305 68.868 0.175 0.000 1.348 412 T HN 0.433 nan 8.240 nan 0.000 0.489 413 K N 1.050 121.521 120.400 0.118 0.000 2.400 413 K HA 0.089 4.409 4.320 -0.000 0.000 0.194 413 K C 0.452 177.081 176.600 0.047 0.000 1.033 413 K CA -0.065 56.270 56.287 0.080 0.000 1.021 413 K CB 0.222 32.771 32.500 0.083 0.000 0.808 413 K HN 0.567 nan 8.250 nan 0.000 0.505 414 D N 1.441 121.856 120.400 0.027 0.000 2.343 414 D HA -0.000 4.640 4.640 -0.000 0.000 0.255 414 D C 1.186 177.495 176.300 0.014 0.000 1.187 414 D CA -0.135 53.868 54.000 0.005 0.000 0.875 414 D CB 1.542 42.321 40.800 -0.035 0.000 1.136 414 D HN -0.242 nan 8.370 nan 0.000 0.469 415 V N 4.805 124.744 119.914 0.041 0.000 2.287 415 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 415 V C 2.486 178.659 176.094 0.132 0.000 1.053 415 V CA 2.244 64.605 62.300 0.102 0.000 1.027 415 V CB -0.794 31.075 31.823 0.076 0.000 0.646 415 V HN 0.788 nan 8.190 nan 0.000 0.447 416 G N -0.397 108.433 108.800 0.049 0.000 2.459 416 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.217 416 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.217 416 G C 1.718 176.628 174.900 0.016 0.000 1.183 416 G CA 1.077 46.195 45.100 0.029 0.000 0.776 416 G HN 0.442 nan 8.290 nan 0.000 0.552 417 R N 0.604 121.073 120.500 -0.052 0.000 2.081 417 R HA 0.010 4.350 4.340 -0.000 0.000 0.235 417 R C 2.864 179.110 176.300 -0.091 0.000 1.131 417 R CA 1.505 57.524 56.100 -0.135 0.000 0.960 417 R CB -0.422 29.692 30.300 -0.309 0.000 0.856 417 R HN 0.294 nan 8.270 nan 0.000 0.436 418 A N 0.623 123.410 122.820 -0.056 0.000 1.908 418 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 418 A C 1.919 179.417 177.584 -0.143 0.000 1.181 418 A CA 1.560 53.544 52.037 -0.089 0.000 0.627 418 A CB -0.837 18.092 19.000 -0.117 0.000 0.818 418 A HN 0.479 nan 8.150 nan 0.000 0.445 419 H N -1.360 117.693 119.070 -0.029 0.000 2.395 419 H HA -0.014 4.542 4.556 -0.000 0.000 0.299 419 H C 2.399 177.713 175.328 -0.023 0.000 1.070 419 H CA 1.531 57.564 56.048 -0.025 0.000 1.356 419 H CB -0.039 29.708 29.762 -0.025 0.000 1.401 419 H HN 0.463 nan 8.280 nan 0.000 0.524 420 R N 0.410 120.955 120.500 0.073 0.000 2.070 420 R HA -0.101 4.239 4.340 -0.000 0.000 0.233 420 R C 2.461 178.772 176.300 0.018 0.000 1.137 420 R CA 1.266 57.385 56.100 0.030 0.000 0.945 420 R CB -0.152 30.148 30.300 -0.000 0.000 0.845 420 R HN 0.015 nan 8.270 nan 0.000 0.430 421 V N -0.075 119.846 119.914 0.012 0.000 2.358 421 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 421 V C 2.179 178.289 176.094 0.026 0.000 1.047 421 V CA 1.988 64.310 62.300 0.038 0.000 1.035 421 V CB -0.337 31.544 31.823 0.096 0.000 0.658 421 V HN 0.348 nan 8.190 nan 0.000 0.452 422 S N 0.185 115.881 115.700 -0.007 0.000 2.370 422 S HA -0.201 4.269 4.470 -0.000 0.000 0.226 422 S C 2.217 176.811 174.600 -0.010 0.000 1.033 422 S CA 1.496 59.678 58.200 -0.029 0.000 1.011 422 S CB -0.501 62.641 63.200 -0.098 0.000 0.852 422 S HN 0.659 nan 8.310 nan 0.000 0.457 423 A N 1.321 124.145 122.820 0.006 0.000 1.972 423 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 423 A C 2.108 179.696 177.584 0.007 0.000 1.169 423 A CA 1.241 53.284 52.037 0.010 0.000 0.635 423 A CB -0.306 18.707 19.000 0.023 0.000 0.810 423 A HN 0.424 nan 8.150 nan 0.000 0.446 424 R N -1.281 119.229 120.500 0.016 0.000 2.280 424 R HA 0.298 4.638 4.340 -0.000 0.000 0.195 424 R C -0.259 176.064 176.300 0.039 0.000 0.935 424 R CA -0.289 55.822 56.100 0.018 0.000 1.033 424 R CB -0.080 30.230 30.300 0.015 0.000 0.964 424 R HN 0.378 nan 8.270 nan 0.000 0.489 425 L N 2.140 123.405 121.223 0.070 0.000 2.455 425 L HA 0.015 4.355 4.340 -0.000 0.000 0.272 425 L C 0.410 177.360 176.870 0.133 0.000 1.174 425 L CA 0.369 55.307 54.840 0.164 0.000 0.869 425 L CB 0.812 42.992 42.059 0.202 0.000 1.130 425 L HN 0.045 nan 8.230 nan 0.000 0.474 426 Q N 4.011 123.855 119.800 0.073 0.000 3.207 426 Q HA 0.239 4.579 4.340 -0.000 0.000 0.335 426 Q C -1.545 174.182 176.000 -0.455 0.000 1.374 426 Q CA 0.009 55.715 55.803 -0.163 0.000 1.023 426 Q CB 0.029 28.646 28.738 -0.201 0.000 1.576 426 Q HN 0.404 nan 8.270 nan 0.000 0.515 427 Y N -2.061 118.212 120.300 -0.045 0.000 2.492 427 Y HA 0.324 4.874 4.550 0.000 0.000 0.346 427 Y C 1.278 177.102 175.900 -0.127 0.000 0.997 427 Y CA -0.996 57.067 58.100 -0.063 0.000 1.025 427 Y CB 1.667 40.103 38.460 -0.040 0.000 1.263 427 Y HN 0.293 nan 8.280 nan 0.000 0.454 428 G N 0.378 109.151 108.800 -0.044 0.000 2.450 428 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.220 428 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.220 428 G C 0.136 174.917 174.900 -0.199 0.000 1.130 428 G CA 1.127 46.142 45.100 -0.141 0.000 0.760 428 G HN 0.589 nan 8.290 nan 0.000 0.557 429 C N -0.363 118.791 119.300 -0.242 0.000 2.698 429 C HA 0.763 5.223 4.460 -0.000 0.000 0.309 429 C C -0.665 174.045 174.990 -0.468 0.000 1.186 429 C CA -0.532 58.214 59.018 -0.453 0.000 1.474 429 C CB 1.387 28.695 27.740 -0.720 0.000 2.020 429 C HN 0.095 nan 8.230 nan 0.000 0.474 430 T N 5.766 120.038 114.554 -0.470 0.000 2.890 430 T HA 0.457 4.807 4.350 -0.000 0.000 0.295 430 T C -0.888 173.602 174.700 -0.349 0.000 0.993 430 T CA -0.144 61.763 62.100 -0.323 0.000 0.979 430 T CB 0.448 69.232 68.868 -0.141 0.000 0.967 430 T HN 0.699 nan 8.240 nan 0.000 0.441 431 W N 2.509 123.723 121.300 -0.145 0.000 2.381 431 W HA 0.587 5.247 4.660 -0.000 0.000 0.329 431 W C -0.468 175.911 176.519 -0.234 0.000 1.157 431 W CA -0.824 56.406 57.345 -0.192 0.000 1.240 431 W CB 1.200 30.523 29.460 -0.229 0.000 1.199 431 W HN 0.238 nan 8.180 nan 0.000 0.579 432 V N 4.247 124.127 119.914 -0.056 0.000 2.409 432 V HA 0.119 4.239 4.120 -0.000 0.000 0.291 432 V C 0.179 176.049 176.094 -0.372 0.000 1.020 432 V CA -0.823 61.352 62.300 -0.208 0.000 0.848 432 V CB 1.101 32.823 31.823 -0.168 0.000 0.990 432 V HN 0.683 nan 8.190 nan 0.000 0.430 433 N N 1.845 120.099 118.700 -0.744 0.000 2.741 433 N HA -0.164 4.576 4.740 -0.000 0.000 0.250 433 N C 0.026 174.883 175.510 -1.089 0.000 1.115 433 N CA 1.635 54.096 53.050 -0.981 0.000 0.724 433 N CB -0.807 37.495 38.487 -0.307 0.000 1.090 433 N HN 0.922 nan 8.380 nan 0.000 0.558 434 T N -2.314 111.589 114.554 -1.085 0.000 2.658 434 T HA 0.559 4.909 4.350 -0.000 0.000 0.306 434 T C -2.035 172.529 174.700 -0.226 0.000 1.544 434 T CA -0.362 61.474 62.100 -0.442 0.000 0.991 434 T CB 1.517 70.260 68.868 -0.209 0.000 1.774 434 T HN 0.349 nan 8.240 nan 0.000 0.479 435 H N -1.231 117.413 119.070 -0.709 0.000 3.003 435 H HA 0.530 5.086 4.556 -0.000 0.000 0.327 435 H C -0.221 173.883 175.328 -2.039 0.000 1.353 435 H CA 0.158 55.458 56.048 -1.246 0.000 1.142 435 H CB 1.032 30.457 29.762 -0.561 0.000 1.864 435 H HN 0.738 nan 8.280 nan 0.000 0.529 436 F N 0.145 118.409 119.950 -2.809 0.000 2.748 436 F HA -0.247 4.280 4.527 -0.000 0.000 0.370 436 F C -0.743 174.507 175.800 -0.916 0.000 0.620 436 F CA 0.364 57.471 58.000 -1.489 0.000 1.233 436 F CB -0.364 37.985 39.000 -1.085 0.000 1.708 436 F HN 0.360 nan 8.300 nan 0.000 0.298 437 M N 2.653 121.721 119.600 -0.887 0.000 2.108 437 M HA 0.468 4.948 4.480 -0.000 0.000 0.354 437 M C -0.207 176.177 176.300 0.139 0.000 1.229 437 M CA 0.228 55.386 55.300 -0.238 0.000 1.081 437 M CB 0.843 33.348 32.600 -0.159 0.000 1.606 437 M HN 0.063 nan 8.290 nan 0.000 0.467 438 L N 3.962 125.188 121.223 0.006 0.000 2.354 438 L HA 0.875 5.215 4.340 -0.000 0.000 0.269 438 L C -0.293 176.547 176.870 -0.051 0.000 1.005 438 L CA -1.106 53.746 54.840 0.021 0.000 0.819 438 L CB 2.200 44.242 42.059 -0.028 0.000 1.311 438 L HN 0.527 nan 8.230 nan 0.000 0.423 439 V N -1.671 118.185 119.914 -0.096 0.000 2.962 439 V HA 0.448 4.568 4.120 -0.000 0.000 0.313 439 V C 0.533 176.454 176.094 -0.288 0.000 1.099 439 V CA -0.545 61.663 62.300 -0.154 0.000 0.971 439 V CB 1.626 33.370 31.823 -0.131 0.000 1.028 439 V HN 0.745 nan 8.190 nan 0.000 0.430 440 S N 1.282 116.762 115.700 -0.367 0.000 2.419 440 S HA -0.128 4.342 4.470 -0.000 0.000 0.235 440 S C 1.516 175.432 174.600 -1.141 0.000 1.019 440 S CA 1.923 59.725 58.200 -0.662 0.000 0.982 440 S CB -0.267 62.572 63.200 -0.600 0.000 0.789 440 S HN 0.966 nan 8.310 nan 0.000 0.490 441 E N -0.053 119.625 120.200 -0.870 0.000 2.435 441 E HA 0.077 4.427 4.350 -0.000 0.000 0.195 441 E C 0.069 176.421 176.600 -0.413 0.000 1.029 441 E CA 0.345 56.249 56.400 -0.826 0.000 0.865 441 E CB -0.033 29.442 29.700 -0.374 0.000 0.833 441 E HN 0.409 nan 8.360 nan 0.000 0.510 442 M N 2.505 121.918 119.600 -0.312 0.000 2.336 442 M HA 0.370 4.850 4.480 -0.000 0.000 0.342 442 M C -2.493 173.722 176.300 -0.141 0.000 1.128 442 M CA -2.904 52.301 55.300 -0.158 0.000 1.016 442 M CB 1.431 33.956 32.600 -0.124 0.000 1.665 442 M HN -0.222 nan 8.290 nan 0.000 0.445 443 P HA 0.134 nan 4.420 nan 0.000 0.274 443 P C -1.023 176.246 177.300 -0.052 0.000 1.231 443 P CA 0.142 63.233 63.100 -0.015 0.000 0.790 443 P CB 0.826 32.566 31.700 0.067 0.000 0.951 444 H N 0.661 119.624 119.070 -0.178 0.000 2.744 444 H HA 0.603 5.159 4.556 0.000 0.000 0.339 444 H C -0.936 174.324 175.328 -0.113 0.000 1.004 444 H CA -0.438 55.507 56.048 -0.172 0.000 1.257 444 H CB 1.328 30.947 29.762 -0.239 0.000 1.552 444 H HN 0.751 nan 8.280 nan 0.000 0.522 445 G N 1.920 110.463 108.800 -0.427 0.000 2.387 445 G HA2 0.410 4.370 3.960 -0.000 0.000 0.294 445 G HA3 0.410 4.370 3.960 -0.000 0.000 0.294 445 G C -1.045 173.701 174.900 -0.257 0.000 1.509 445 G CA -0.208 44.712 45.100 -0.301 0.000 0.806 445 G HN 0.787 nan 8.290 nan 0.000 0.546 446 G N -1.492 107.194 108.800 -0.190 0.000 2.753 446 G HA2 0.698 4.658 3.960 -0.000 0.000 0.285 446 G HA3 0.698 4.658 3.960 -0.000 0.000 0.285 446 G C -0.581 174.255 174.900 -0.106 0.000 1.344 446 G CA -0.289 44.731 45.100 -0.133 0.000 1.050 446 G HN 0.693 nan 8.290 nan 0.000 0.532 447 Q N -1.313 118.428 119.800 -0.098 0.000 2.501 447 Q HA 0.464 4.804 4.340 -0.000 0.000 0.288 447 Q C -0.349 175.599 176.000 -0.088 0.000 1.051 447 Q CA -0.692 55.054 55.803 -0.094 0.000 0.788 447 Q CB 1.917 30.564 28.738 -0.150 0.000 1.469 447 Q HN 0.705 nan 8.270 nan 0.000 0.416 448 K N -0.661 119.697 120.400 -0.071 0.000 1.882 448 K HA -0.289 4.031 4.320 -0.000 0.000 0.199 448 K C 0.749 177.310 176.600 -0.065 0.000 1.562 448 K CA 1.291 57.533 56.287 -0.075 0.000 0.515 448 K CB -1.248 31.181 32.500 -0.117 0.000 0.682 448 K HN 0.464 nan 8.250 nan 0.000 0.843 449 L N 1.412 122.570 121.223 -0.109 0.000 2.551 449 L HA -0.008 4.332 4.340 -0.000 0.000 0.228 449 L C 2.042 178.855 176.870 -0.095 0.000 1.153 449 L CA 1.271 56.038 54.840 -0.121 0.000 0.851 449 L CB -0.188 41.753 42.059 -0.196 0.000 0.959 449 L HN 0.407 nan 8.230 nan 0.000 0.451 450 S N -0.642 115.026 115.700 -0.054 0.000 2.515 450 S HA 0.291 4.761 4.470 -0.000 0.000 0.231 450 S C 1.152 175.692 174.600 -0.100 0.000 0.987 450 S CA 0.650 58.846 58.200 -0.008 0.000 0.936 450 S CB -0.183 63.046 63.200 0.048 0.000 0.766 450 S HN 0.670 nan 8.310 nan 0.000 0.528 451 G N 0.462 109.174 108.800 -0.147 0.000 2.416 451 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.203 451 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.203 451 G C -1.202 173.548 174.900 -0.251 0.000 1.227 451 G CA -0.396 44.496 45.100 -0.346 0.000 1.041 451 G HN 0.621 nan 8.290 nan 0.000 0.546 452 Y N -2.451 117.757 120.300 -0.154 0.000 2.677 452 Y HA 0.731 5.281 4.550 -0.000 0.000 0.334 452 Y C 0.524 176.242 175.900 -0.303 0.000 1.196 452 Y CA -0.473 57.516 58.100 -0.184 0.000 1.059 452 Y CB 0.923 39.299 38.460 -0.141 0.000 1.315 452 Y HN 2.712 nan 8.280 nan 0.000 0.455 453 G N 1.561 110.311 108.800 -0.083 0.000 2.690 453 G HA2 0.228 4.188 3.960 -0.000 0.000 0.686 453 G HA3 0.228 4.188 3.960 -0.000 0.000 0.686 453 G C -1.859 172.887 174.900 -0.256 0.000 1.277 453 G CA -1.116 43.814 45.100 -0.283 0.000 0.799 453 G HN 0.590 nan 8.290 nan 0.000 0.613 454 K N 0.752 121.167 120.400 0.024 0.000 2.259 454 K HA 0.604 4.924 4.320 -0.000 0.000 0.249 454 K C -0.730 176.027 176.600 0.261 0.000 0.942 454 K CA -0.870 55.474 56.287 0.094 0.000 0.816 454 K CB 2.011 34.583 32.500 0.119 0.000 1.155 454 K HN 0.589 nan 8.250 nan 0.000 0.428 455 D N 2.009 122.488 120.400 0.131 0.000 2.198 455 D HA 0.432 5.072 4.640 -0.000 0.000 0.247 455 D C 0.742 176.931 176.300 -0.185 0.000 1.010 455 D CA -0.193 53.800 54.000 -0.011 0.000 0.880 455 D CB 1.151 41.791 40.800 -0.266 0.000 1.209 455 D HN 0.398 nan 8.370 nan 0.000 0.451 456 M N 0.173 119.703 119.600 -0.116 0.000 7.319 456 M HA -0.313 4.167 4.480 -0.000 0.000 0.157 456 M C 0.234 176.534 176.300 -0.001 0.000 0.480 456 M CA 0.790 56.015 55.300 -0.125 0.000 1.311 456 M CB -0.935 31.376 32.600 -0.482 0.000 0.421 456 M HN 0.893 nan 8.290 nan 0.000 0.190 457 S N -1.015 114.514 115.700 -0.286 0.000 3.799 457 S HA -0.172 4.298 4.470 -0.000 0.000 0.726 457 S C 0.291 175.002 174.600 0.186 0.000 1.480 457 S CA 0.318 58.442 58.200 -0.125 0.000 1.488 457 S CB -0.664 62.536 63.200 0.000 0.000 0.408 457 S HN 0.888 nan 8.310 nan 0.000 0.868 458 L N 0.773 122.045 121.223 0.082 0.000 2.187 458 L HA -0.091 4.249 4.340 -0.000 0.000 0.213 458 L C 2.334 179.200 176.870 -0.007 0.000 1.100 458 L CA 1.950 56.795 54.840 0.008 0.000 0.765 458 L CB -0.623 41.322 42.059 -0.189 0.000 0.904 458 L HN 0.772 nan 8.230 nan 0.000 0.437 459 Y N -0.443 119.948 120.300 0.153 0.000 2.293 459 Y HA -0.105 4.445 4.550 0.000 0.000 0.291 459 Y C 2.522 178.533 175.900 0.185 0.000 1.137 459 Y CA 1.004 59.180 58.100 0.126 0.000 1.202 459 Y CB -1.126 37.375 38.460 0.068 0.000 0.990 459 Y HN 0.097 nan 8.280 nan 0.000 0.537 460 G N -0.326 108.708 108.800 0.389 0.000 2.422 460 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 460 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 460 G C 1.608 176.733 174.900 0.376 0.000 1.140 460 G CA 0.846 46.186 45.100 0.400 0.000 0.775 460 G HN 0.341 nan 8.290 nan 0.000 0.545 461 L N 0.588 122.066 121.223 0.425 0.000 2.044 461 L HA 0.175 4.515 4.340 -0.000 0.000 0.205 461 L C 2.524 179.539 176.870 0.242 0.000 1.075 461 L CA 1.787 56.809 54.840 0.303 0.000 0.747 461 L CB -0.725 41.541 42.059 0.345 0.000 0.903 461 L HN 0.313 nan 8.230 nan 0.000 0.435 462 E N -0.387 119.935 120.200 0.203 0.000 2.160 462 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 462 E C 1.583 178.258 176.600 0.125 0.000 0.991 462 E CA 1.253 57.743 56.400 0.150 0.000 0.810 462 E CB -0.188 29.600 29.700 0.146 0.000 0.742 462 E HN 0.530 nan 8.360 nan 0.000 0.466 463 D N -0.287 120.186 120.400 0.122 0.000 2.311 463 D HA -0.145 4.495 4.640 -0.000 0.000 0.212 463 D C 0.515 176.678 176.300 -0.229 0.000 0.972 463 D CA 1.080 55.060 54.000 -0.034 0.000 0.887 463 D CB -0.027 40.747 40.800 -0.044 0.000 0.915 463 D HN 0.347 nan 8.370 nan 0.000 0.497 464 Y N -0.334 119.968 120.300 0.004 0.000 2.658 464 Y HA 0.174 4.724 4.550 0.000 0.000 0.276 464 Y C 0.823 176.731 175.900 0.013 0.000 1.167 464 Y CA -0.344 57.744 58.100 -0.021 0.000 1.230 464 Y CB 0.288 38.709 38.460 -0.066 0.000 1.144 464 Y HN -0.187 nan 8.280 nan 0.000 0.529 465 T N -3.249 111.376 114.554 0.118 0.000 2.907 465 T HA 0.663 5.013 4.350 -0.000 0.000 0.290 465 T C -1.075 173.662 174.700 0.061 0.000 1.066 465 T CA -0.985 61.173 62.100 0.097 0.000 1.012 465 T CB 1.906 70.829 68.868 0.090 0.000 1.184 465 T HN -0.165 nan 8.240 nan 0.000 0.522 466 V N 1.616 121.567 119.914 0.060 0.000 2.495 466 V HA 0.623 4.743 4.120 -0.000 0.000 0.298 466 V C -0.450 175.671 176.094 0.045 0.000 1.031 466 V CA -0.717 61.610 62.300 0.044 0.000 0.871 466 V CB 1.521 33.368 31.823 0.040 0.000 0.988 466 V HN 0.949 nan 8.190 nan 0.000 0.432 467 V N 8.442 128.377 119.914 0.035 0.000 2.555 467 V HA 0.464 4.584 4.120 -0.000 0.000 0.286 467 V C 0.446 176.565 176.094 0.041 0.000 1.044 467 V CA -0.020 62.301 62.300 0.034 0.000 1.026 467 V CB 0.971 32.806 31.823 0.020 0.000 0.981 467 V HN 0.906 nan 8.190 nan 0.000 0.480 468 R N 2.791 123.323 120.500 0.054 0.000 2.686 468 R HA 0.457 4.797 4.340 -0.000 0.000 0.286 468 R C -0.731 175.640 176.300 0.119 0.000 0.969 468 R CA -0.771 55.372 56.100 0.072 0.000 0.898 468 R CB 2.182 32.516 30.300 0.056 0.000 1.183 468 R HN 0.847 nan 8.270 nan 0.000 0.456 469 H N 2.530 121.600 119.070 0.000 0.000 2.541 469 H HA 0.377 4.933 4.556 -0.000 0.000 0.316 469 H C -1.142 174.194 175.328 0.013 0.000 1.043 469 H CA -0.758 55.289 56.048 -0.001 0.000 1.232 469 H CB 1.128 30.879 29.762 -0.018 0.000 1.406 469 H HN 0.173 nan 8.280 nan 0.000 0.469 470 V N 7.444 127.342 119.914 -0.026 0.000 2.417 470 V HA 0.231 4.351 4.120 -0.000 0.000 0.291 470 V C -0.018 175.965 176.094 -0.185 0.000 1.024 470 V CA -0.622 61.597 62.300 -0.135 0.000 0.861 470 V CB 1.547 33.358 31.823 -0.020 0.000 0.985 470 V HN 0.800 nan 8.190 nan 0.000 0.436 471 M N 5.865 125.312 119.600 -0.255 0.000 2.142 471 M HA 0.600 5.080 4.480 -0.000 0.000 0.299 471 M C -1.813 174.491 176.300 0.007 0.000 0.960 471 M CA -0.469 54.761 55.300 -0.115 0.000 0.920 471 M CB 1.690 34.157 32.600 -0.221 0.000 1.541 471 M HN 0.437 nan 8.290 nan 0.000 0.429 472 V N 5.060 125.019 119.914 0.075 0.000 2.370 472 V HA 0.369 4.489 4.120 -0.000 0.000 0.283 472 V C -0.092 176.032 176.094 0.049 0.000 1.023 472 V CA -0.762 61.582 62.300 0.074 0.000 0.857 472 V CB 1.541 33.419 31.823 0.092 0.000 0.985 472 V HN 0.792 nan 8.190 nan 0.000 0.443 473 K N 5.882 126.268 120.400 -0.022 0.000 2.322 473 K HA 0.362 4.682 4.320 -0.000 0.000 0.283 473 K C -0.041 176.470 176.600 -0.149 0.000 1.042 473 K CA -0.255 55.867 56.287 -0.274 0.000 0.958 473 K CB 0.390 32.764 32.500 -0.210 0.000 0.984 473 K HN 1.035 nan 8.250 nan 0.000 0.473 474 H N 0.000 118.929 119.070 -0.235 0.000 2.539 474 H HA 0.000 4.556 4.556 0.000 0.000 0.296 474 H CA 0.000 55.971 56.048 -0.128 0.000 1.023 474 H CB 0.000 29.715 29.762 -0.078 0.000 1.292 474 H HN 0.000 nan 8.280 nan 0.000 0.496