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 3c1n_1_C DATA FIRST_RESID 2 DATA SEQUENCE TTVMKFGGTS VGSGERIRHV AKIVTKRKKE DDDVVVVVSA MSEVTNALVE DATA SEQUENCE ISQQALDVRD IAKVGDFIKF IREKHYKAIE EAIKSEEIKE EVKKIIDSRI DATA SEQUENCE EELEKVLIGV AYLGELTPKS RDYILSFGER LSSPILSGAI RDLGEKSIAL DATA SEQUENCE EGGEAGIITD NNFGSARVKR LEVKERLLPL LKEGIIPVVT GFIGTTEEGY DATA SEQUENCE ITTLGRGGSD YSAALIGYGL DADIIEIWTD VSGVYTTDPR LVPTARRIPK DATA SEQUENCE LSYIEAMELA YFGAKVLHPR TIEPAMEKGI PILVKNTFEP ESEGTLITND DATA SEQUENCE MXXXXSIVKA ISTIKNVALI NIFGAGMVGV SGTAARIFKA LGEEEVNVIL DATA SEQUENCE ISQGSSETNI SLVVSEEDVD KALKALKREF XXXXXXXXLN NNLIRDVSVD DATA SEQUENCE KDVCVISVVG AGMRGAKGIA GKIFTAVSES GANIKMIAQG SSEVNISFVI DATA SEQUENCE DEKDLLNCVR KLHEKFIE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.714 174.700 0.023 0.000 1.109 2 T CA 0.000 62.109 62.100 0.016 0.000 1.349 2 T CB 0.000 68.875 68.868 0.012 0.000 0.612 3 T N 2.086 116.659 114.554 0.032 0.000 2.797 3 T HA 0.695 5.045 4.350 -0.000 0.000 0.279 3 T C 0.266 174.996 174.700 0.050 0.000 0.991 3 T CA -0.424 61.703 62.100 0.044 0.000 0.979 3 T CB 1.229 70.132 68.868 0.059 0.000 0.943 3 T HN 1.391 nan 8.240 nan 0.000 0.444 4 V N 2.118 122.062 119.914 0.050 0.000 2.547 4 V HA 0.800 4.919 4.120 -0.000 0.000 0.299 4 V C -0.746 175.386 176.094 0.063 0.000 1.040 4 V CA -0.949 61.384 62.300 0.054 0.000 0.913 4 V CB 1.432 33.281 31.823 0.043 0.000 0.992 4 V HN 0.903 nan 8.190 nan 0.000 0.449 5 M N 5.365 125.007 119.600 0.070 0.000 2.151 5 M HA 0.526 5.006 4.480 -0.000 0.000 0.290 5 M C -0.801 175.450 176.300 -0.081 0.000 0.965 5 M CA -0.523 54.795 55.300 0.030 0.000 0.930 5 M CB 2.121 34.789 32.600 0.114 0.000 1.560 5 M HN 0.701 nan 8.290 nan 0.000 0.438 6 K N 3.705 123.983 120.400 -0.203 0.000 2.244 6 K HA 0.670 4.990 4.320 -0.000 0.000 0.260 6 K C -2.002 174.363 176.600 -0.393 0.000 0.951 6 K CA -0.137 56.061 56.287 -0.150 0.000 0.826 6 K CB 1.209 33.697 32.500 -0.020 0.000 1.108 6 K HN 0.561 nan 8.250 nan 0.000 0.433 7 F N 0.506 120.532 119.950 0.128 0.000 2.551 7 F HA 0.484 5.011 4.527 -0.001 0.000 0.316 7 F C 0.913 176.772 175.800 0.097 0.000 1.089 7 F CA -0.712 57.358 58.000 0.117 0.000 0.915 7 F CB 2.192 41.206 39.000 0.023 0.000 1.186 7 F HN 0.595 nan 8.300 nan 0.000 0.456 8 G N 0.149 109.116 108.800 0.279 0.000 2.601 8 G HA2 0.446 4.406 3.960 -0.000 0.000 0.317 8 G HA3 0.446 4.406 3.960 -0.000 0.000 0.317 8 G C 0.879 175.877 174.900 0.164 0.000 1.246 8 G CA -0.336 44.872 45.100 0.181 0.000 1.012 8 G HN 0.880 nan 8.290 nan 0.000 0.494 9 G N -0.673 108.194 108.800 0.112 0.000 2.513 9 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 9 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 9 G C 1.671 176.638 174.900 0.112 0.000 1.160 9 G CA 1.986 47.140 45.100 0.091 0.000 0.767 9 G HN 0.597 nan 8.290 nan 0.000 0.571 10 T N 1.272 115.911 114.554 0.142 0.000 2.777 10 T HA -0.083 4.266 4.350 -0.000 0.000 0.266 10 T C 2.828 177.702 174.700 0.291 0.000 1.040 10 T CA 1.524 63.733 62.100 0.183 0.000 1.141 10 T CB -0.276 68.692 68.868 0.166 0.000 0.868 10 T HN 0.312 nan 8.240 nan 0.000 0.444 11 S N 1.324 117.203 115.700 0.299 0.000 2.442 11 S HA -0.041 4.429 4.470 -0.000 0.000 0.236 11 S C 1.724 176.388 174.600 0.106 0.000 1.007 11 S CA 0.975 59.330 58.200 0.259 0.000 0.965 11 S CB -0.272 63.123 63.200 0.324 0.000 0.773 11 S HN 0.577 nan 8.310 nan 0.000 0.504 12 V N -1.116 118.856 119.914 0.097 0.000 2.940 12 V HA 0.606 4.726 4.120 -0.000 0.000 0.366 12 V C 1.259 177.366 176.094 0.022 0.000 1.353 12 V CA -0.027 62.283 62.300 0.018 0.000 1.232 12 V CB -0.181 31.636 31.823 -0.010 0.000 1.278 12 V HN 0.252 nan 8.190 nan 0.000 0.546 13 G N 1.127 109.970 108.800 0.071 0.000 2.679 13 G HA2 0.240 4.200 3.960 -0.000 0.000 0.212 13 G HA3 0.240 4.200 3.960 -0.000 0.000 0.212 13 G C 0.549 175.454 174.900 0.007 0.000 1.137 13 G CA 0.946 46.076 45.100 0.050 0.000 0.787 13 G HN 1.037 nan 8.290 nan 0.000 0.534 14 S N -3.278 112.419 115.700 -0.005 0.000 2.615 14 S HA 0.553 5.022 4.470 -0.000 0.000 0.269 14 S C 1.107 175.677 174.600 -0.050 0.000 1.161 14 S CA 0.309 58.489 58.200 -0.034 0.000 0.817 14 S CB 1.078 64.275 63.200 -0.005 0.000 1.131 14 S HN 0.326 nan 8.310 nan 0.000 0.467 15 G N 0.650 109.415 108.800 -0.059 0.000 2.418 15 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.217 15 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.217 15 G C 0.855 175.726 174.900 -0.049 0.000 1.158 15 G CA 1.205 46.270 45.100 -0.059 0.000 0.771 15 G HN 0.809 nan 8.290 nan 0.000 0.545 16 E N 0.504 120.685 120.200 -0.033 0.000 2.038 16 E HA -0.085 4.265 4.350 -0.000 0.000 0.195 16 E C 2.659 179.244 176.600 -0.025 0.000 1.000 16 E CA 1.026 57.412 56.400 -0.025 0.000 0.803 16 E CB -0.216 29.476 29.700 -0.013 0.000 0.750 16 E HN 0.343 nan 8.360 nan 0.000 0.448 17 R N 0.234 120.721 120.500 -0.022 0.000 2.105 17 R HA -0.119 4.221 4.340 -0.000 0.000 0.239 17 R C 2.398 178.648 176.300 -0.084 0.000 1.135 17 R CA 1.300 57.376 56.100 -0.040 0.000 0.967 17 R CB -0.512 29.795 30.300 0.011 0.000 0.861 17 R HN 0.225 nan 8.270 nan 0.000 0.442 18 I N 0.227 120.739 120.570 -0.095 0.000 2.179 18 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 18 I C 2.771 178.787 176.117 -0.168 0.000 1.088 18 I CA 1.244 62.455 61.300 -0.149 0.000 1.357 18 I CB -0.260 37.671 38.000 -0.115 0.000 1.051 18 I HN 0.125 nan 8.210 nan 0.000 0.409 19 R N 0.024 120.458 120.500 -0.111 0.000 2.091 19 R HA -0.279 4.061 4.340 -0.000 0.000 0.238 19 R C 2.499 178.723 176.300 -0.127 0.000 1.136 19 R CA 1.988 58.025 56.100 -0.106 0.000 0.959 19 R CB -0.385 29.878 30.300 -0.063 0.000 0.856 19 R HN 0.385 nan 8.270 nan 0.000 0.437 20 H N -0.352 118.597 119.070 -0.201 0.000 2.352 20 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 20 H C 1.799 176.928 175.328 -0.332 0.000 1.097 20 H CA 2.038 57.946 56.048 -0.235 0.000 1.311 20 H CB -0.099 29.517 29.762 -0.243 0.000 1.377 20 H HN 0.032 nan 8.280 nan 0.000 0.504 21 V N 0.491 120.136 119.914 -0.448 0.000 2.307 21 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 21 V C 2.734 178.446 176.094 -0.637 0.000 1.045 21 V CA 1.631 63.479 62.300 -0.753 0.000 1.024 21 V CB -1.258 29.988 31.823 -0.961 0.000 0.651 21 V HN 0.693 nan 8.190 nan 0.000 0.449 22 A N -0.411 122.151 122.820 -0.430 0.000 1.940 22 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 22 A C 2.295 179.718 177.584 -0.269 0.000 1.176 22 A CA 2.006 53.862 52.037 -0.302 0.000 0.631 22 A CB -0.435 18.441 19.000 -0.207 0.000 0.814 22 A HN 0.542 nan 8.150 nan 0.000 0.446 23 K N -0.631 119.594 120.400 -0.292 0.000 2.057 23 K HA -0.022 4.298 4.320 -0.000 0.000 0.206 23 K C 1.872 178.297 176.600 -0.292 0.000 1.050 23 K CA 1.351 57.485 56.287 -0.254 0.000 0.935 23 K CB -0.348 32.010 32.500 -0.238 0.000 0.715 23 K HN 0.551 nan 8.250 nan 0.000 0.439 24 I N 0.911 121.217 120.570 -0.439 0.000 2.142 24 I HA -0.282 3.887 4.170 -0.000 0.000 0.240 24 I C 2.268 178.229 176.117 -0.261 0.000 1.078 24 I CA 1.156 62.204 61.300 -0.420 0.000 1.343 24 I CB -0.316 37.274 38.000 -0.683 0.000 1.046 24 I HN -0.090 nan 8.210 nan 0.000 0.405 25 V N 0.352 120.111 119.914 -0.258 0.000 2.407 25 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 25 V C 2.456 178.499 176.094 -0.085 0.000 1.055 25 V CA 2.381 64.609 62.300 -0.121 0.000 1.049 25 V CB -1.074 30.675 31.823 -0.124 0.000 0.662 25 V HN 0.477 nan 8.190 nan 0.000 0.455 26 T N -0.420 114.066 114.554 -0.113 0.000 2.737 26 T HA -0.202 4.148 4.350 -0.000 0.000 0.265 26 T C 2.025 176.690 174.700 -0.057 0.000 1.038 26 T CA 1.565 63.617 62.100 -0.079 0.000 1.144 26 T CB -0.239 68.575 68.868 -0.090 0.000 0.866 26 T HN 0.356 nan 8.240 nan 0.000 0.434 27 K N 1.080 121.438 120.400 -0.070 0.000 2.032 27 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 27 K C 2.468 179.061 176.600 -0.012 0.000 1.048 27 K CA 1.475 57.737 56.287 -0.042 0.000 0.927 27 K CB -0.168 32.301 32.500 -0.052 0.000 0.712 27 K HN 0.045 nan 8.250 nan 0.000 0.441 28 R N 1.432 121.931 120.500 -0.003 0.000 2.152 28 R HA -0.039 4.300 4.340 -0.000 0.000 0.232 28 R C 2.020 178.334 176.300 0.023 0.000 1.117 28 R CA 1.371 57.491 56.100 0.033 0.000 0.981 28 R CB -0.174 30.166 30.300 0.067 0.000 0.870 28 R HN 0.025 nan 8.270 nan 0.000 0.451 29 K N 0.180 120.583 120.400 0.005 0.000 2.432 29 K HA -0.058 4.262 4.320 -0.000 0.000 0.196 29 K C 1.102 177.703 176.600 0.002 0.000 1.038 29 K CA 0.744 57.033 56.287 0.004 0.000 0.986 29 K CB 0.227 32.723 32.500 -0.006 0.000 0.782 29 K HN 0.060 nan 8.250 nan 0.000 0.485 30 K N 0.639 121.039 120.400 0.001 0.000 2.103 30 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 30 K C 1.775 178.379 176.600 0.007 0.000 1.052 30 K CA 1.155 57.443 56.287 0.002 0.000 0.945 30 K CB 0.162 32.662 32.500 -0.001 0.000 0.722 30 K HN 0.165 nan 8.250 nan 0.000 0.443 31 E N 0.265 120.473 120.200 0.013 0.000 2.021 31 E HA -0.065 4.285 4.350 -0.000 0.000 0.189 31 E C 0.129 176.739 176.600 0.017 0.000 0.980 31 E CA 0.845 57.255 56.400 0.017 0.000 0.803 31 E CB 0.122 29.837 29.700 0.026 0.000 0.766 31 E HN 0.083 nan 8.360 nan 0.000 0.449 32 D N -0.269 120.144 120.400 0.021 0.000 2.233 32 D HA 0.061 4.700 4.640 -0.000 0.000 0.240 32 D C -0.574 175.735 176.300 0.015 0.000 1.074 32 D CA -0.261 53.751 54.000 0.019 0.000 0.838 32 D CB 1.446 42.263 40.800 0.027 0.000 1.124 32 D HN -0.131 nan 8.370 nan 0.000 0.475 33 D N 1.347 121.754 120.400 0.011 0.000 2.264 33 D HA -0.044 4.596 4.640 -0.000 0.000 0.208 33 D C -0.534 175.771 176.300 0.008 0.000 0.966 33 D CA 0.882 54.886 54.000 0.007 0.000 0.864 33 D CB 0.233 41.036 40.800 0.005 0.000 0.933 33 D HN 0.389 nan 8.370 nan 0.000 0.499 34 D N -0.101 120.307 120.400 0.012 0.000 2.462 34 D HA 0.349 4.989 4.640 -0.000 0.000 0.245 34 D C -1.043 175.270 176.300 0.021 0.000 1.122 34 D CA -0.369 53.639 54.000 0.013 0.000 0.864 34 D CB 1.893 42.699 40.800 0.010 0.000 1.098 34 D HN -0.215 nan 8.370 nan 0.000 0.541 35 V N 2.284 122.212 119.914 0.024 0.000 2.604 35 V HA 0.573 4.692 4.120 -0.000 0.000 0.305 35 V C -0.275 175.841 176.094 0.037 0.000 1.043 35 V CA -0.792 61.529 62.300 0.036 0.000 0.888 35 V CB 2.191 34.039 31.823 0.042 0.000 0.995 35 V HN 0.268 nan 8.190 nan 0.000 0.429 36 V N 4.589 124.531 119.914 0.047 0.000 2.680 36 V HA 0.608 4.728 4.120 -0.000 0.000 0.309 36 V C -0.431 175.708 176.094 0.074 0.000 1.052 36 V CA -0.757 61.572 62.300 0.048 0.000 0.908 36 V CB 2.125 33.971 31.823 0.037 0.000 1.001 36 V HN 0.666 nan 8.190 nan 0.000 0.431 37 V N 5.745 125.710 119.914 0.085 0.000 2.495 37 V HA 0.699 4.819 4.120 -0.000 0.000 0.298 37 V C -0.696 175.473 176.094 0.125 0.000 1.031 37 V CA -0.258 62.125 62.300 0.139 0.000 0.871 37 V CB 1.984 33.913 31.823 0.177 0.000 0.988 37 V HN 0.623 nan 8.190 nan 0.000 0.432 38 V N 7.050 127.048 119.914 0.139 0.000 2.370 38 V HA 0.533 4.653 4.120 -0.000 0.000 0.279 38 V C -0.043 176.161 176.094 0.184 0.000 1.029 38 V CA -0.340 62.034 62.300 0.123 0.000 0.870 38 V CB 1.516 33.390 31.823 0.085 0.000 0.984 38 V HN 0.790 nan 8.190 nan 0.000 0.451 39 V N 4.852 124.862 119.914 0.161 0.000 2.680 39 V HA 0.615 4.735 4.120 -0.000 0.000 0.309 39 V C 0.324 176.502 176.094 0.140 0.000 1.052 39 V CA 0.033 62.439 62.300 0.176 0.000 0.908 39 V CB 2.661 34.562 31.823 0.129 0.000 1.001 39 V HN 0.942 nan 8.190 nan 0.000 0.431 40 S N 3.440 119.223 115.700 0.138 0.000 2.671 40 S HA 0.761 5.231 4.470 -0.000 0.000 0.272 40 S C 0.209 174.866 174.600 0.095 0.000 1.174 40 S CA 0.055 58.317 58.200 0.104 0.000 1.004 40 S CB 1.342 64.588 63.200 0.077 0.000 1.077 40 S HN 1.237 nan 8.310 nan 0.000 0.553 41 A N 0.921 123.788 122.820 0.078 0.000 2.351 41 A HA 0.476 4.796 4.320 -0.000 0.000 0.257 41 A C 0.312 177.942 177.584 0.076 0.000 1.087 41 A CA -0.366 51.728 52.037 0.096 0.000 0.798 41 A CB -0.235 18.826 19.000 0.102 0.000 1.033 41 A HN 0.775 nan 8.150 nan 0.000 0.488 42 M N 1.475 121.116 119.600 0.069 0.000 2.247 42 M HA 0.013 4.492 4.480 -0.000 0.000 0.318 42 M C 1.138 177.467 176.300 0.048 0.000 1.054 42 M CA 0.378 55.691 55.300 0.022 0.000 1.117 42 M CB 0.132 32.684 32.600 -0.079 0.000 1.515 42 M HN 0.840 nan 8.290 nan 0.000 0.442 43 S N 1.616 117.344 115.700 0.046 0.000 2.561 43 S HA -0.074 4.396 4.470 -0.000 0.000 0.294 43 S C 0.819 175.465 174.600 0.076 0.000 1.294 43 S CA 0.351 58.587 58.200 0.059 0.000 1.055 43 S CB 0.201 63.437 63.200 0.059 0.000 0.819 43 S HN 0.812 nan 8.310 nan 0.000 0.503 44 E N 0.996 121.245 120.200 0.082 0.000 3.975 44 E HA -0.185 4.165 4.350 -0.000 0.000 0.342 44 E C 1.096 177.790 176.600 0.157 0.000 0.677 44 E CA 1.421 57.886 56.400 0.109 0.000 1.238 44 E CB -2.189 27.586 29.700 0.126 0.000 1.665 44 E HN 0.532 nan 8.360 nan 0.000 0.429 45 V N 0.526 120.538 119.914 0.164 0.000 2.407 45 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 45 V C 2.373 178.594 176.094 0.213 0.000 1.041 45 V CA 2.342 64.777 62.300 0.225 0.000 1.040 45 V CB -0.552 31.406 31.823 0.224 0.000 0.671 45 V HN 0.256 nan 8.190 nan 0.000 0.455 46 T N 0.486 115.121 114.554 0.134 0.000 2.708 46 T HA -0.181 4.168 4.350 -0.000 0.000 0.266 46 T C 1.884 176.647 174.700 0.105 0.000 1.037 46 T CA 1.675 63.836 62.100 0.102 0.000 1.146 46 T CB -0.391 68.470 68.868 -0.011 0.000 0.865 46 T HN 0.429 nan 8.240 nan 0.000 0.435 47 N N 1.528 120.279 118.700 0.084 0.000 2.036 47 N HA -0.113 4.627 4.740 -0.000 0.000 0.195 47 N C 2.229 177.798 175.510 0.098 0.000 1.037 47 N CA 1.548 54.641 53.050 0.072 0.000 0.855 47 N CB -0.618 37.901 38.487 0.055 0.000 1.033 47 N HN 0.419 nan 8.380 nan 0.000 0.423 48 A N 1.407 124.323 122.820 0.161 0.000 1.917 48 A HA -0.112 4.207 4.320 -0.000 0.000 0.219 48 A C 2.457 180.213 177.584 0.287 0.000 1.182 48 A CA 1.137 53.324 52.037 0.250 0.000 0.633 48 A CB -0.813 18.404 19.000 0.361 0.000 0.819 48 A HN 0.236 nan 8.150 nan 0.000 0.448 49 L N -0.828 120.565 121.223 0.283 0.000 2.093 49 L HA -0.136 4.203 4.340 -0.000 0.000 0.208 49 L C 2.515 179.376 176.870 -0.016 0.000 1.085 49 L CA 0.800 55.716 54.840 0.127 0.000 0.755 49 L CB -0.348 41.850 42.059 0.232 0.000 0.904 49 L HN 0.260 nan 8.230 nan 0.000 0.435 50 V N 0.580 120.515 119.914 0.036 0.000 2.270 50 V HA -0.275 3.844 4.120 -0.000 0.000 0.245 50 V C 2.443 178.520 176.094 -0.028 0.000 1.043 50 V CA 2.203 64.515 62.300 0.019 0.000 1.014 50 V CB -0.635 31.214 31.823 0.043 0.000 0.645 50 V HN 0.645 nan 8.190 nan 0.000 0.447 51 E N -0.080 120.102 120.200 -0.031 0.000 2.274 51 E HA -0.193 4.156 4.350 -0.000 0.000 0.194 51 E C 2.089 178.623 176.600 -0.109 0.000 0.996 51 E CA 1.262 57.632 56.400 -0.050 0.000 0.840 51 E CB -0.310 29.373 29.700 -0.029 0.000 0.772 51 E HN 0.525 nan 8.360 nan 0.000 0.491 52 I N 2.208 122.655 120.570 -0.206 0.000 2.333 52 I HA -0.202 3.967 4.170 -0.000 0.000 0.246 52 I C 2.282 178.225 176.117 -0.291 0.000 1.106 52 I CA 1.358 62.448 61.300 -0.350 0.000 1.411 52 I CB -0.077 37.404 38.000 -0.864 0.000 1.082 52 I HN 0.215 nan 8.210 nan 0.000 0.420 53 S N -0.544 115.009 115.700 -0.245 0.000 2.402 53 S HA -0.229 4.241 4.470 -0.000 0.000 0.229 53 S C 1.978 176.519 174.600 -0.097 0.000 1.021 53 S CA 1.054 59.160 58.200 -0.157 0.000 0.974 53 S CB -0.574 62.567 63.200 -0.098 0.000 0.800 53 S HN 0.506 nan 8.310 nan 0.000 0.484 54 Q N 1.554 121.305 119.800 -0.080 0.000 2.016 54 Q HA -0.073 4.267 4.340 -0.000 0.000 0.200 54 Q C 2.321 178.285 176.000 -0.060 0.000 0.978 54 Q CA 1.969 57.741 55.803 -0.053 0.000 0.833 54 Q CB -0.725 27.991 28.738 -0.036 0.000 0.895 54 Q HN 0.616 nan 8.270 nan 0.000 0.427 55 Q N -0.535 119.217 119.800 -0.080 0.000 2.112 55 Q HA -0.133 4.206 4.340 -0.000 0.000 0.206 55 Q C 1.838 177.796 176.000 -0.070 0.000 0.987 55 Q CA 2.113 57.872 55.803 -0.073 0.000 0.858 55 Q CB -0.580 28.105 28.738 -0.089 0.000 0.905 55 Q HN 0.503 nan 8.270 nan 0.000 0.420 56 A N -0.410 122.354 122.820 -0.093 0.000 2.015 56 A HA -0.124 4.195 4.320 -0.000 0.000 0.219 56 A C 1.921 179.473 177.584 -0.053 0.000 1.163 56 A CA 1.246 53.233 52.037 -0.083 0.000 0.646 56 A CB -0.587 18.345 19.000 -0.114 0.000 0.806 56 A HN 0.453 nan 8.150 nan 0.000 0.448 57 L N -0.576 120.618 121.223 -0.048 0.000 2.109 57 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 57 L C 1.462 178.320 176.870 -0.019 0.000 1.086 57 L CA 2.280 57.102 54.840 -0.029 0.000 0.760 57 L CB -0.311 41.732 42.059 -0.028 0.000 0.910 57 L HN 0.284 nan 8.230 nan 0.000 0.437 58 D N -0.973 119.414 120.400 -0.022 0.000 2.355 58 D HA -0.024 4.616 4.640 -0.000 0.000 0.233 58 D C 2.152 178.445 176.300 -0.011 0.000 0.997 58 D CA 1.919 55.910 54.000 -0.015 0.000 0.920 58 D CB -0.401 40.389 40.800 -0.016 0.000 1.063 58 D HN 0.304 nan 8.370 nan 0.000 0.465 59 V N -1.168 118.737 119.914 -0.015 0.000 2.719 59 V HA 0.114 4.234 4.120 -0.000 0.000 0.252 59 V C 0.714 176.805 176.094 -0.003 0.000 1.065 59 V CA 0.415 62.709 62.300 -0.010 0.000 1.086 59 V CB -0.580 31.235 31.823 -0.013 0.000 0.700 59 V HN 0.187 nan 8.190 nan 0.000 0.467 60 R N 0.472 120.967 120.500 -0.009 0.000 3.641 60 R HA -0.175 4.165 4.340 -0.000 0.000 0.286 60 R C -0.276 176.030 176.300 0.009 0.000 1.153 60 R CA 1.045 57.146 56.100 0.003 0.000 0.775 60 R CB -2.377 27.939 30.300 0.027 0.000 1.215 60 R HN 0.665 nan 8.270 nan 0.000 0.474 61 D N 0.860 121.256 120.400 -0.007 0.000 2.365 61 D HA 0.117 4.757 4.640 -0.000 0.000 0.237 61 D C 1.139 177.433 176.300 -0.011 0.000 1.190 61 D CA -0.353 53.646 54.000 -0.001 0.000 0.867 61 D CB 0.732 41.529 40.800 -0.005 0.000 1.050 61 D HN 0.121 nan 8.370 nan 0.000 0.491 62 I N 4.596 125.167 120.570 0.002 0.000 2.208 62 I HA -0.224 3.945 4.170 -0.000 0.000 0.245 62 I C 1.869 177.980 176.117 -0.011 0.000 1.097 62 I CA 1.773 63.064 61.300 -0.015 0.000 1.363 62 I CB -0.104 37.911 38.000 0.024 0.000 1.051 62 I HN 0.434 nan 8.210 nan 0.000 0.413 63 A N 0.326 123.149 122.820 0.004 0.000 1.933 63 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 63 A C 2.298 179.889 177.584 0.011 0.000 1.175 63 A CA 1.736 53.779 52.037 0.009 0.000 0.628 63 A CB -0.638 18.369 19.000 0.012 0.000 0.814 63 A HN 0.510 nan 8.150 nan 0.000 0.444 64 K N -0.304 120.100 120.400 0.005 0.000 2.283 64 K HA -0.004 4.315 4.320 -0.000 0.000 0.202 64 K C 1.769 178.387 176.600 0.029 0.000 1.048 64 K CA 1.055 57.349 56.287 0.012 0.000 0.948 64 K CB -0.240 32.256 32.500 -0.006 0.000 0.742 64 K HN 0.349 nan 8.250 nan 0.000 0.458 65 V N 0.998 120.917 119.914 0.007 0.000 2.307 65 V HA -0.153 3.967 4.120 -0.000 0.000 0.245 65 V C 2.437 178.578 176.094 0.078 0.000 1.045 65 V CA 2.196 64.508 62.300 0.020 0.000 1.024 65 V CB -0.862 30.933 31.823 -0.047 0.000 0.651 65 V HN 0.449 nan 8.190 nan 0.000 0.449 66 G N -0.362 108.461 108.800 0.038 0.000 2.450 66 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 66 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 66 G C 1.213 176.144 174.900 0.052 0.000 1.130 66 G CA 1.095 46.215 45.100 0.034 0.000 0.760 66 G HN 0.506 nan 8.290 nan 0.000 0.557 67 D N -0.026 120.416 120.400 0.071 0.000 2.097 67 D HA -0.086 4.554 4.640 -0.000 0.000 0.197 67 D C 1.956 178.339 176.300 0.138 0.000 0.984 67 D CA 0.405 54.455 54.000 0.082 0.000 0.826 67 D CB -0.468 40.371 40.800 0.065 0.000 0.973 67 D HN 0.292 nan 8.370 nan 0.000 0.460 68 F N 1.119 121.082 119.950 0.020 0.000 2.126 68 F HA -0.209 4.317 4.527 -0.000 0.000 0.299 68 F C 2.017 177.876 175.800 0.099 0.000 1.096 68 F CA 1.059 59.094 58.000 0.059 0.000 1.255 68 F CB -0.121 38.880 39.000 0.001 0.000 0.997 68 F HN -0.159 nan 8.300 nan 0.000 0.479 69 I N 0.515 121.135 120.570 0.084 0.000 2.202 69 I HA -0.244 3.925 4.170 -0.000 0.000 0.242 69 I C 2.361 178.408 176.117 -0.116 0.000 1.091 69 I CA 1.212 62.478 61.300 -0.057 0.000 1.368 69 I CB -0.757 37.237 38.000 -0.010 0.000 1.058 69 I HN -0.044 nan 8.210 nan 0.000 0.410 70 K N -0.162 120.207 120.400 -0.051 0.000 2.059 70 K HA -0.249 4.071 4.320 -0.000 0.000 0.212 70 K C 2.244 178.800 176.600 -0.074 0.000 1.050 70 K CA 1.849 58.096 56.287 -0.065 0.000 0.927 70 K CB -0.863 31.630 32.500 -0.011 0.000 0.714 70 K HN 0.246 nan 8.250 nan 0.000 0.447 71 F N 2.070 121.915 119.950 -0.176 0.000 2.026 71 F HA -0.245 4.282 4.527 -0.000 0.000 0.296 71 F C 2.161 177.821 175.800 -0.232 0.000 1.133 71 F CA 1.395 59.279 58.000 -0.193 0.000 1.188 71 F CB -0.370 38.504 39.000 -0.210 0.000 0.968 71 F HN -0.127 nan 8.300 nan 0.000 0.476 72 I N 0.769 121.099 120.570 -0.401 0.000 2.264 72 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 72 I C 2.587 178.515 176.117 -0.316 0.000 1.111 72 I CA 1.593 62.630 61.300 -0.439 0.000 1.382 72 I CB -1.380 36.332 38.000 -0.480 0.000 1.060 72 I HN 0.289 nan 8.210 nan 0.000 0.418 73 R N 0.961 121.259 120.500 -0.337 0.000 2.073 73 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 73 R C 2.175 178.227 176.300 -0.413 0.000 1.134 73 R CA 1.583 57.429 56.100 -0.424 0.000 0.952 73 R CB -0.055 29.939 30.300 -0.511 0.000 0.850 73 R HN 0.368 nan 8.270 nan 0.000 0.433 74 E N 0.152 120.151 120.200 -0.335 0.000 2.110 74 E HA -0.234 4.115 4.350 -0.000 0.000 0.193 74 E C 1.923 178.409 176.600 -0.189 0.000 0.988 74 E CA 1.417 57.681 56.400 -0.227 0.000 0.804 74 E CB 0.019 29.610 29.700 -0.183 0.000 0.745 74 E HN 0.279 nan 8.360 nan 0.000 0.458 75 K N 0.223 120.434 120.400 -0.316 0.000 2.002 75 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 75 K C 1.792 178.291 176.600 -0.168 0.000 1.048 75 K CA 1.630 57.729 56.287 -0.315 0.000 0.930 75 K CB -0.051 32.132 32.500 -0.527 0.000 0.714 75 K HN 0.149 nan 8.250 nan 0.000 0.438 76 H N -1.291 117.698 119.070 -0.134 0.000 2.436 76 H HA 0.017 4.573 4.556 -0.000 0.000 0.294 76 H C 1.486 176.888 175.328 0.123 0.000 1.048 76 H CA 1.567 57.610 56.048 -0.009 0.000 1.353 76 H CB -0.113 29.653 29.762 0.006 0.000 1.414 76 H HN 0.280 nan 8.280 nan 0.000 0.536 77 Y N 0.602 120.911 120.300 0.016 0.000 2.200 77 Y HA -0.257 4.293 4.550 -0.000 0.000 0.290 77 Y C 2.528 178.405 175.900 -0.038 0.000 1.137 77 Y CA 0.863 58.955 58.100 -0.014 0.000 1.163 77 Y CB 0.176 38.621 38.460 -0.026 0.000 0.988 77 Y HN 0.069 nan 8.280 nan 0.000 0.518 78 K N 0.795 121.260 120.400 0.109 0.000 2.032 78 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 78 K C 2.149 178.740 176.600 -0.015 0.000 1.048 78 K CA 1.500 57.799 56.287 0.019 0.000 0.927 78 K CB -0.538 31.947 32.500 -0.025 0.000 0.712 78 K HN 0.203 nan 8.250 nan 0.000 0.441 79 A N 0.801 123.596 122.820 -0.040 0.000 1.883 79 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 79 A C 2.253 179.811 177.584 -0.043 0.000 1.186 79 A CA 1.993 53.989 52.037 -0.067 0.000 0.624 79 A CB -0.804 18.115 19.000 -0.135 0.000 0.822 79 A HN 0.392 nan 8.150 nan 0.000 0.444 80 I N -0.901 119.657 120.570 -0.019 0.000 2.208 80 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 80 I C 2.540 178.627 176.117 -0.051 0.000 1.097 80 I CA 1.874 63.152 61.300 -0.036 0.000 1.363 80 I CB -0.286 37.682 38.000 -0.053 0.000 1.051 80 I HN 0.368 nan 8.210 nan 0.000 0.413 81 E N 0.804 120.975 120.200 -0.048 0.000 2.150 81 E HA -0.184 4.165 4.350 -0.000 0.000 0.193 81 E C 2.040 178.617 176.600 -0.038 0.000 0.985 81 E CA 1.035 57.406 56.400 -0.047 0.000 0.814 81 E CB 0.081 29.758 29.700 -0.038 0.000 0.752 81 E HN 0.345 nan 8.360 nan 0.000 0.466 82 E N -0.171 120.007 120.200 -0.036 0.000 2.072 82 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 82 E C 1.975 178.552 176.600 -0.039 0.000 0.982 82 E CA 1.105 57.484 56.400 -0.034 0.000 0.803 82 E CB -0.319 29.361 29.700 -0.033 0.000 0.755 82 E HN 0.339 nan 8.360 nan 0.000 0.453 83 A N 1.410 124.202 122.820 -0.047 0.000 1.930 83 A HA 0.008 4.327 4.320 -0.000 0.000 0.215 83 A C 1.364 178.915 177.584 -0.054 0.000 1.176 83 A CA 0.519 52.523 52.037 -0.055 0.000 0.632 83 A CB -0.013 18.949 19.000 -0.063 0.000 0.819 83 A HN 0.071 nan 8.150 nan 0.000 0.445 84 I N -1.345 119.195 120.570 -0.050 0.000 2.437 84 I HA 0.452 4.622 4.170 -0.000 0.000 0.298 84 I C 1.232 177.323 176.117 -0.044 0.000 0.984 84 I CA 0.182 61.453 61.300 -0.049 0.000 1.214 84 I CB 1.167 39.137 38.000 -0.051 0.000 1.365 84 I HN 0.229 nan 8.210 nan 0.000 0.469 85 K N 3.074 123.450 120.400 -0.040 0.000 2.244 85 K HA 0.084 4.404 4.320 -0.000 0.000 0.200 85 K C 1.140 177.720 176.600 -0.035 0.000 1.052 85 K CA 0.596 56.862 56.287 -0.035 0.000 0.980 85 K CB -0.085 32.396 32.500 -0.031 0.000 0.838 85 K HN 0.627 nan 8.250 nan 0.000 0.481 86 S N 1.292 116.971 115.700 -0.036 0.000 2.510 86 S HA 0.082 4.551 4.470 -0.000 0.000 0.279 86 S C 0.767 175.345 174.600 -0.037 0.000 1.284 86 S CA -0.424 57.756 58.200 -0.033 0.000 1.059 86 S CB 0.596 63.777 63.200 -0.032 0.000 0.901 86 S HN 0.401 nan 8.310 nan 0.000 0.491 87 E N 3.765 123.944 120.200 -0.035 0.000 2.077 87 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 87 E C 1.677 178.253 176.600 -0.040 0.000 0.989 87 E CA 1.187 57.563 56.400 -0.039 0.000 0.800 87 E CB -0.214 29.466 29.700 -0.033 0.000 0.746 87 E HN 0.918 nan 8.360 nan 0.000 0.452 88 E N 0.284 120.464 120.200 -0.033 0.000 2.106 88 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 88 E C 2.072 178.652 176.600 -0.033 0.000 0.984 88 E CA 0.579 56.961 56.400 -0.030 0.000 0.806 88 E CB 0.141 29.827 29.700 -0.024 0.000 0.750 88 E HN 0.095 nan 8.360 nan 0.000 0.458 89 I N 1.377 121.927 120.570 -0.034 0.000 2.163 89 I HA -0.238 3.931 4.170 -0.000 0.000 0.240 89 I C 2.492 178.582 176.117 -0.045 0.000 1.081 89 I CA 1.068 62.346 61.300 -0.036 0.000 1.353 89 I CB -1.262 36.716 38.000 -0.036 0.000 1.054 89 I HN 0.105 nan 8.210 nan 0.000 0.407 90 K N 1.316 121.684 120.400 -0.054 0.000 2.059 90 K HA -0.263 4.057 4.320 -0.000 0.000 0.212 90 K C 2.013 178.561 176.600 -0.087 0.000 1.050 90 K CA 1.861 58.104 56.287 -0.074 0.000 0.927 90 K CB -0.271 32.182 32.500 -0.078 0.000 0.714 90 K HN 0.412 nan 8.250 nan 0.000 0.447 91 E N 0.469 120.627 120.200 -0.070 0.000 2.051 91 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 91 E C 1.881 178.450 176.600 -0.052 0.000 0.991 91 E CA 1.625 57.985 56.400 -0.066 0.000 0.799 91 E CB -0.011 29.661 29.700 -0.047 0.000 0.748 91 E HN 0.519 nan 8.360 nan 0.000 0.449 92 E N -0.129 120.048 120.200 -0.038 0.000 2.152 92 E HA -0.111 4.238 4.350 -0.000 0.000 0.192 92 E C 2.097 178.685 176.600 -0.020 0.000 0.983 92 E CA 1.035 57.420 56.400 -0.023 0.000 0.818 92 E CB -0.002 29.687 29.700 -0.017 0.000 0.758 92 E HN 0.147 nan 8.360 nan 0.000 0.467 93 V N 1.867 121.763 119.914 -0.029 0.000 2.379 93 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 93 V C 2.578 178.662 176.094 -0.017 0.000 1.044 93 V CA 2.037 64.326 62.300 -0.018 0.000 1.036 93 V CB -0.587 31.221 31.823 -0.024 0.000 0.664 93 V HN 0.266 nan 8.190 nan 0.000 0.453 94 K N 0.314 120.676 120.400 -0.065 0.000 2.097 94 K HA -0.267 4.052 4.320 -0.000 0.000 0.206 94 K C 2.224 178.824 176.600 -0.001 0.000 1.049 94 K CA 1.747 57.975 56.287 -0.097 0.000 0.933 94 K CB -0.062 32.284 32.500 -0.257 0.000 0.717 94 K HN 0.242 nan 8.250 nan 0.000 0.442 95 K N 0.836 121.233 120.400 -0.005 0.000 2.057 95 K HA -0.056 4.263 4.320 -0.000 0.000 0.206 95 K C 1.915 178.539 176.600 0.040 0.000 1.050 95 K CA 1.036 57.336 56.287 0.022 0.000 0.935 95 K CB -0.053 32.452 32.500 0.009 0.000 0.715 95 K HN 0.100 nan 8.250 nan 0.000 0.439 96 I N 0.555 121.146 120.570 0.034 0.000 2.142 96 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 96 I C 2.113 178.268 176.117 0.063 0.000 1.078 96 I CA 1.210 62.536 61.300 0.044 0.000 1.343 96 I CB -0.789 37.231 38.000 0.034 0.000 1.046 96 I HN 0.118 nan 8.210 nan 0.000 0.405 97 I N 1.270 121.883 120.570 0.073 0.000 2.264 97 I HA -0.300 3.869 4.170 -0.000 0.000 0.248 97 I C 2.208 178.379 176.117 0.089 0.000 1.111 97 I CA 1.575 62.927 61.300 0.087 0.000 1.382 97 I CB -0.596 37.484 38.000 0.133 0.000 1.060 97 I HN 0.213 nan 8.210 nan 0.000 0.418 98 D N -0.351 120.119 120.400 0.116 0.000 2.097 98 D HA -0.111 4.528 4.640 -0.000 0.000 0.197 98 D C 2.395 178.735 176.300 0.067 0.000 0.984 98 D CA 1.448 55.506 54.000 0.097 0.000 0.826 98 D CB -0.173 40.697 40.800 0.118 0.000 0.973 98 D HN 0.225 nan 8.370 nan 0.000 0.460 99 S N 0.672 116.416 115.700 0.074 0.000 2.368 99 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 99 S C 1.916 176.585 174.600 0.116 0.000 1.030 99 S CA 0.825 59.074 58.200 0.081 0.000 0.999 99 S CB 0.103 63.348 63.200 0.075 0.000 0.844 99 S HN 0.189 nan 8.310 nan 0.000 0.459 100 R N 1.087 121.668 120.500 0.135 0.000 2.066 100 R HA 0.123 4.463 4.340 -0.000 0.000 0.232 100 R C 2.199 178.604 176.300 0.175 0.000 1.131 100 R CA 1.003 57.253 56.100 0.250 0.000 0.955 100 R CB -1.159 29.278 30.300 0.228 0.000 0.851 100 R HN 0.427 nan 8.270 nan 0.000 0.432 101 I N 1.279 121.869 120.570 0.034 0.000 2.361 101 I HA -0.238 3.931 4.170 -0.000 0.000 0.251 101 I C 2.258 178.320 176.117 -0.090 0.000 1.133 101 I CA 1.277 62.526 61.300 -0.086 0.000 1.413 101 I CB -0.203 37.735 38.000 -0.104 0.000 1.073 101 I HN 0.245 nan 8.210 nan 0.000 0.424 102 E N 0.457 120.645 120.200 -0.019 0.000 2.077 102 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 102 E C 2.058 178.655 176.600 -0.005 0.000 0.989 102 E CA 1.184 57.580 56.400 -0.008 0.000 0.800 102 E CB -0.057 29.658 29.700 0.025 0.000 0.746 102 E HN 0.531 nan 8.360 nan 0.000 0.452 103 E N 0.846 121.078 120.200 0.052 0.000 2.110 103 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 103 E C 2.208 178.771 176.600 -0.061 0.000 0.988 103 E CA 0.571 57.053 56.400 0.137 0.000 0.804 103 E CB -0.034 29.915 29.700 0.416 0.000 0.745 103 E HN 0.210 nan 8.360 nan 0.000 0.458 104 L N 0.944 121.880 121.223 -0.479 0.000 1.994 104 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 104 L C 2.537 179.236 176.870 -0.284 0.000 1.071 104 L CA 1.603 55.980 54.840 -0.772 0.000 0.745 104 L CB -0.230 41.295 42.059 -0.889 0.000 0.892 104 L HN 0.189 nan 8.230 nan 0.000 0.431 105 E N -0.016 120.082 120.200 -0.170 0.000 2.065 105 E HA -0.336 4.014 4.350 -0.000 0.000 0.201 105 E C 2.089 178.634 176.600 -0.092 0.000 1.016 105 E CA 1.888 58.232 56.400 -0.094 0.000 0.818 105 E CB 0.081 29.744 29.700 -0.062 0.000 0.749 105 E HN 0.222 nan 8.360 nan 0.000 0.453 106 K N -0.159 120.204 120.400 -0.061 0.000 2.015 106 K HA -0.197 4.123 4.320 -0.000 0.000 0.216 106 K C 2.002 178.573 176.600 -0.049 0.000 1.052 106 K CA 1.719 57.983 56.287 -0.038 0.000 0.937 106 K CB -0.704 31.806 32.500 0.018 0.000 0.719 106 K HN 0.049 nan 8.250 nan 0.000 0.446 107 V N 0.861 120.767 119.914 -0.012 0.000 2.343 107 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 107 V C 2.209 178.271 176.094 -0.053 0.000 1.051 107 V CA 1.635 63.941 62.300 0.010 0.000 1.036 107 V CB -0.411 31.498 31.823 0.143 0.000 0.654 107 V HN 0.270 nan 8.190 nan 0.000 0.451 108 L N -0.991 120.175 121.223 -0.096 0.000 2.046 108 L HA -0.183 4.156 4.340 -0.000 0.000 0.208 108 L C 2.395 179.164 176.870 -0.170 0.000 1.077 108 L CA 1.550 56.311 54.840 -0.133 0.000 0.747 108 L CB -0.457 41.510 42.059 -0.154 0.000 0.896 108 L HN 0.245 nan 8.230 nan 0.000 0.432 109 I N 0.052 120.494 120.570 -0.213 0.000 2.151 109 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 109 I C 2.559 178.441 176.117 -0.392 0.000 1.080 109 I CA 1.906 62.971 61.300 -0.392 0.000 1.339 109 I CB -0.760 36.989 38.000 -0.419 0.000 1.039 109 I HN 0.242 nan 8.210 nan 0.000 0.409 110 G N -0.493 108.191 108.800 -0.194 0.000 2.476 110 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 110 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 110 G C 1.842 176.721 174.900 -0.035 0.000 1.164 110 G CA 1.143 46.201 45.100 -0.070 0.000 0.768 110 G HN 0.372 nan 8.290 nan 0.000 0.560 111 V N 1.141 121.020 119.914 -0.059 0.000 2.407 111 V HA 0.038 4.158 4.120 -0.000 0.000 0.248 111 V C 3.025 179.103 176.094 -0.026 0.000 1.055 111 V CA 2.469 64.745 62.300 -0.039 0.000 1.049 111 V CB -0.581 31.212 31.823 -0.051 0.000 0.662 111 V HN 0.448 nan 8.190 nan 0.000 0.455 112 A N -1.082 121.702 122.820 -0.060 0.000 1.898 112 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 112 A C 2.109 179.759 177.584 0.110 0.000 1.181 112 A CA 1.824 53.847 52.037 -0.023 0.000 0.620 112 A CB -0.830 18.114 19.000 -0.093 0.000 0.819 112 A HN 0.637 nan 8.150 nan 0.000 0.442 113 Y N -0.172 120.115 120.300 -0.020 0.000 2.242 113 Y HA -0.005 4.545 4.550 -0.000 0.000 0.291 113 Y C 2.008 177.897 175.900 -0.018 0.000 1.137 113 Y CA 0.717 58.807 58.100 -0.017 0.000 1.181 113 Y CB -0.437 38.014 38.460 -0.015 0.000 0.989 113 Y HN 0.194 nan 8.280 nan 0.000 0.527 114 L N -1.970 119.338 121.223 0.142 0.000 2.590 114 L HA 0.249 4.589 4.340 -0.000 0.000 0.227 114 L C 1.501 178.392 176.870 0.034 0.000 1.099 114 L CA 0.577 55.456 54.840 0.065 0.000 0.872 114 L CB -0.311 41.774 42.059 0.043 0.000 1.088 114 L HN 0.274 nan 8.230 nan 0.000 0.479 115 G N 1.537 110.356 108.800 0.033 0.000 2.273 115 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.280 115 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.280 115 G C -0.079 174.821 174.900 -0.000 0.000 1.047 115 G CA 0.245 45.352 45.100 0.013 0.000 0.869 115 G HN 0.488 nan 8.290 nan 0.000 0.502 116 E N -1.232 118.965 120.200 -0.006 0.000 2.246 116 E HA 0.554 4.904 4.350 -0.000 0.000 0.266 116 E C -0.881 175.702 176.600 -0.028 0.000 0.880 116 E CA -0.972 55.418 56.400 -0.017 0.000 0.762 116 E CB 1.903 31.591 29.700 -0.019 0.000 1.180 116 E HN 0.193 nan 8.360 nan 0.000 0.416 117 L N 3.727 124.932 121.223 -0.031 0.000 2.488 117 L HA 0.242 4.581 4.340 -0.000 0.000 0.250 117 L C -0.280 176.563 176.870 -0.044 0.000 1.280 117 L CA -0.277 54.541 54.840 -0.036 0.000 0.929 117 L CB 0.739 42.782 42.059 -0.027 0.000 1.200 117 L HN 0.569 nan 8.230 nan 0.000 0.495 118 T N 0.774 115.285 114.554 -0.071 0.000 2.903 118 T HA 0.221 4.571 4.350 -0.000 0.000 0.314 118 T C -1.655 172.979 174.700 -0.110 0.000 1.078 118 T CA -0.874 61.168 62.100 -0.096 0.000 1.114 118 T CB 0.530 69.309 68.868 -0.148 0.000 0.987 118 T HN 0.359 nan 8.240 nan 0.000 0.548 119 P HA -0.097 nan 4.420 nan 0.000 0.217 119 P C 1.525 178.693 177.300 -0.219 0.000 1.148 119 P CA 1.077 64.145 63.100 -0.052 0.000 0.828 119 P CB 0.067 31.802 31.700 0.058 0.000 0.783 120 K N -0.360 119.685 120.400 -0.591 0.000 2.057 120 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 120 K C 1.992 178.314 176.600 -0.463 0.000 1.049 120 K CA 1.734 57.349 56.287 -1.120 0.000 0.931 120 K CB -0.324 31.403 32.500 -1.289 0.000 0.714 120 K HN 0.013 nan 8.250 nan 0.000 0.440 121 S N 0.591 116.132 115.700 -0.266 0.000 2.387 121 S HA -0.066 4.404 4.470 -0.000 0.000 0.226 121 S C 1.835 176.451 174.600 0.028 0.000 1.026 121 S CA 0.787 58.939 58.200 -0.080 0.000 0.972 121 S CB -0.200 62.955 63.200 -0.075 0.000 0.814 121 S HN 0.337 nan 8.310 nan 0.000 0.477 122 R N 1.004 121.499 120.500 -0.008 0.000 2.103 122 R HA -0.150 4.190 4.340 -0.000 0.000 0.242 122 R C 1.525 177.885 176.300 0.100 0.000 1.142 122 R CA 1.738 57.865 56.100 0.045 0.000 0.960 122 R CB -0.229 30.093 30.300 0.036 0.000 0.858 122 R HN 0.255 nan 8.270 nan 0.000 0.439 123 D N -1.063 119.394 120.400 0.095 0.000 2.123 123 D HA -0.156 4.484 4.640 -0.000 0.000 0.200 123 D C 1.470 177.876 176.300 0.176 0.000 0.976 123 D CA 0.881 54.968 54.000 0.146 0.000 0.831 123 D CB -0.226 40.702 40.800 0.213 0.000 0.974 123 D HN 0.206 nan 8.370 nan 0.000 0.469 124 Y N 1.124 121.458 120.300 0.057 0.000 2.145 124 Y HA -0.163 4.387 4.550 -0.000 0.000 0.286 124 Y C 2.090 178.141 175.900 0.253 0.000 1.145 124 Y CA 1.284 59.444 58.100 0.100 0.000 1.148 124 Y CB -0.345 38.167 38.460 0.087 0.000 0.981 124 Y HN -0.058 nan 8.280 nan 0.000 0.507 125 I N -0.501 120.255 120.570 0.310 0.000 2.127 125 I HA -0.371 3.799 4.170 -0.000 0.000 0.241 125 I C 2.403 178.702 176.117 0.302 0.000 1.075 125 I CA 1.465 62.952 61.300 0.311 0.000 1.334 125 I CB -0.586 37.504 38.000 0.150 0.000 1.040 125 I HN 0.215 nan 8.210 nan 0.000 0.405 126 L N 0.495 121.853 121.223 0.226 0.000 2.081 126 L HA -0.246 4.093 4.340 -0.000 0.000 0.212 126 L C 2.766 179.791 176.870 0.260 0.000 1.080 126 L CA 1.835 56.833 54.840 0.264 0.000 0.754 126 L CB -0.791 41.461 42.059 0.322 0.000 0.893 126 L HN 0.435 nan 8.230 nan 0.000 0.433 127 S N -0.497 115.277 115.700 0.123 0.000 2.465 127 S HA -0.184 4.285 4.470 -0.000 0.000 0.241 127 S C 1.733 176.267 174.600 -0.109 0.000 1.000 127 S CA 0.909 59.094 58.200 -0.024 0.000 0.964 127 S CB -0.627 62.444 63.200 -0.215 0.000 0.763 127 S HN 0.330 nan 8.310 nan 0.000 0.512 128 F N 2.322 122.255 119.950 -0.029 0.000 2.206 128 F HA 0.208 4.735 4.527 -0.000 0.000 0.298 128 F C 2.770 178.590 175.800 0.032 0.000 1.090 128 F CA 0.721 58.700 58.000 -0.035 0.000 1.323 128 F CB -1.050 37.924 39.000 -0.043 0.000 1.028 128 F HN 0.357 nan 8.300 nan 0.000 0.492 129 G N -0.120 108.836 108.800 0.260 0.000 2.491 129 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.218 129 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.218 129 G C 1.478 176.486 174.900 0.181 0.000 1.180 129 G CA 1.232 46.463 45.100 0.219 0.000 0.774 129 G HN 0.273 nan 8.290 nan 0.000 0.562 130 E N -0.053 120.239 120.200 0.153 0.000 2.152 130 E HA 0.056 4.405 4.350 -0.000 0.000 0.192 130 E C 2.622 179.270 176.600 0.080 0.000 0.983 130 E CA 0.432 56.907 56.400 0.126 0.000 0.818 130 E CB -0.088 29.703 29.700 0.153 0.000 0.758 130 E HN 0.344 nan 8.360 nan 0.000 0.467 131 R N -0.267 120.252 120.500 0.031 0.000 2.280 131 R HA 0.081 4.420 4.340 -0.000 0.000 0.207 131 R C 1.564 177.889 176.300 0.042 0.000 1.043 131 R CA 0.481 56.571 56.100 -0.016 0.000 1.006 131 R CB 0.081 30.279 30.300 -0.171 0.000 0.885 131 R HN 0.184 nan 8.270 nan 0.000 0.467 132 L N -0.868 120.411 121.223 0.094 0.000 2.357 132 L HA 0.033 4.373 4.340 -0.000 0.000 0.211 132 L C 2.210 179.210 176.870 0.217 0.000 1.075 132 L CA 0.582 55.485 54.840 0.106 0.000 0.830 132 L CB 0.008 42.033 42.059 -0.056 0.000 0.996 132 L HN 0.176 nan 8.230 nan 0.000 0.467 133 S N -1.757 114.063 115.700 0.201 0.000 2.406 133 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 133 S C 2.120 176.765 174.600 0.075 0.000 1.030 133 S CA 0.898 59.181 58.200 0.138 0.000 0.958 133 S CB -0.149 63.114 63.200 0.104 0.000 0.811 133 S HN 0.209 nan 8.310 nan 0.000 0.489 134 S N 3.319 119.062 115.700 0.070 0.000 2.380 134 S HA -0.072 4.398 4.470 -0.000 0.000 0.229 134 S C -0.852 173.764 174.600 0.027 0.000 1.050 134 S CA 2.067 60.294 58.200 0.044 0.000 1.100 134 S CB -1.294 61.931 63.200 0.042 0.000 0.984 134 S HN 0.500 nan 8.310 nan 0.000 0.434 135 P HA 0.032 nan 4.420 nan 0.000 0.223 135 P C 1.265 178.573 177.300 0.013 0.000 1.151 135 P CA 0.648 63.762 63.100 0.022 0.000 0.787 135 P CB -0.141 31.578 31.700 0.031 0.000 0.788 136 I N -0.973 119.612 120.570 0.025 0.000 2.179 136 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 136 I C 2.175 178.273 176.117 -0.032 0.000 1.088 136 I CA 1.362 62.663 61.300 0.003 0.000 1.357 136 I CB -1.589 36.417 38.000 0.009 0.000 1.051 136 I HN 0.002 nan 8.210 nan 0.000 0.409 137 L N 0.656 121.855 121.223 -0.040 0.000 2.056 137 L HA -0.127 4.212 4.340 -0.000 0.000 0.207 137 L C 2.754 179.582 176.870 -0.069 0.000 1.078 137 L CA 1.785 56.578 54.840 -0.079 0.000 0.749 137 L CB -0.782 41.221 42.059 -0.094 0.000 0.901 137 L HN 0.132 nan 8.230 nan 0.000 0.433 138 S N -0.589 115.087 115.700 -0.039 0.000 2.368 138 S HA -0.135 4.334 4.470 -0.000 0.000 0.225 138 S C 2.048 176.626 174.600 -0.037 0.000 1.030 138 S CA 1.273 59.454 58.200 -0.032 0.000 0.999 138 S CB -0.849 62.343 63.200 -0.014 0.000 0.844 138 S HN 0.668 nan 8.310 nan 0.000 0.459 139 G N 0.736 109.516 108.800 -0.033 0.000 2.440 139 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.218 139 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.218 139 G C 1.662 176.532 174.900 -0.049 0.000 1.154 139 G CA 1.005 46.083 45.100 -0.036 0.000 0.767 139 G HN 0.680 nan 8.290 nan 0.000 0.552 140 A N 0.639 123.422 122.820 -0.063 0.000 1.902 140 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 140 A C 2.403 179.936 177.584 -0.084 0.000 1.181 140 A CA 1.319 53.309 52.037 -0.078 0.000 0.623 140 A CB -0.347 18.592 19.000 -0.101 0.000 0.818 140 A HN 0.384 nan 8.150 nan 0.000 0.443 141 I N -1.401 119.118 120.570 -0.086 0.000 2.226 141 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 141 I C 2.685 178.767 176.117 -0.058 0.000 1.100 141 I CA 1.516 62.768 61.300 -0.080 0.000 1.374 141 I CB -0.210 37.745 38.000 -0.075 0.000 1.057 141 I HN 0.258 nan 8.210 nan 0.000 0.413 142 R N 0.950 121.421 120.500 -0.048 0.000 2.083 142 R HA -0.253 4.087 4.340 -0.000 0.000 0.237 142 R C 1.938 178.215 176.300 -0.039 0.000 1.137 142 R CA 2.104 58.181 56.100 -0.038 0.000 0.951 142 R CB -0.388 29.892 30.300 -0.033 0.000 0.851 142 R HN 0.307 nan 8.270 nan 0.000 0.434 143 D N -0.904 119.470 120.400 -0.044 0.000 2.218 143 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 143 D C 1.042 177.316 176.300 -0.043 0.000 0.976 143 D CA 0.740 54.715 54.000 -0.043 0.000 0.853 143 D CB 0.121 40.894 40.800 -0.046 0.000 0.939 143 D HN 0.137 nan 8.370 nan 0.000 0.481 144 L N -0.888 120.304 121.223 -0.051 0.000 2.591 144 L HA 0.356 4.696 4.340 -0.000 0.000 0.228 144 L C 1.830 178.675 176.870 -0.043 0.000 1.133 144 L CA 0.957 55.766 54.840 -0.051 0.000 0.880 144 L CB 0.219 42.238 42.059 -0.067 0.000 1.033 144 L HN 0.312 nan 8.230 nan 0.000 0.450 145 G N -1.798 106.979 108.800 -0.038 0.000 2.192 145 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.193 145 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.193 145 G C 0.292 175.175 174.900 -0.028 0.000 0.999 145 G CA -0.433 44.648 45.100 -0.031 0.000 0.659 145 G HN 0.202 nan 8.290 nan 0.000 0.503 146 E N 0.670 120.851 120.200 -0.032 0.000 2.207 146 E HA 0.428 4.778 4.350 -0.000 0.000 0.270 146 E C 0.055 176.640 176.600 -0.025 0.000 0.927 146 E CA -0.643 55.740 56.400 -0.028 0.000 0.799 146 E CB 1.084 30.765 29.700 -0.030 0.000 1.172 146 E HN 0.356 nan 8.360 nan 0.000 0.404 147 K N 1.173 121.562 120.400 -0.019 0.000 2.339 147 K HA 0.262 4.582 4.320 -0.000 0.000 0.286 147 K C -0.111 176.480 176.600 -0.014 0.000 1.050 147 K CA -0.101 56.177 56.287 -0.015 0.000 0.956 147 K CB 0.473 32.966 32.500 -0.011 0.000 0.990 147 K HN 0.467 nan 8.250 nan 0.000 0.475 148 S N 2.383 118.074 115.700 -0.015 0.000 2.537 148 S HA 0.629 5.099 4.470 -0.000 0.000 0.270 148 S C -0.675 173.919 174.600 -0.009 0.000 1.142 148 S CA -1.097 57.096 58.200 -0.012 0.000 0.870 148 S CB 0.836 64.026 63.200 -0.018 0.000 1.112 148 S HN 0.485 nan 8.310 nan 0.000 0.466 149 I N 1.048 121.615 120.570 -0.004 0.000 2.646 149 I HA 0.794 4.964 4.170 -0.000 0.000 0.299 149 I C 0.198 176.316 176.117 0.002 0.000 1.036 149 I CA -1.387 59.913 61.300 -0.001 0.000 1.074 149 I CB 1.943 39.944 38.000 0.000 0.000 1.258 149 I HN 0.880 nan 8.210 nan 0.000 0.430 150 A N 6.293 129.115 122.820 0.004 0.000 2.327 150 A HA 0.845 5.165 4.320 -0.000 0.000 0.283 150 A C -0.668 176.920 177.584 0.007 0.000 1.127 150 A CA -0.274 51.769 52.037 0.009 0.000 0.810 150 A CB 0.476 19.483 19.000 0.011 0.000 1.066 150 A HN 0.700 nan 8.150 nan 0.000 0.492 151 L N 1.707 122.936 121.223 0.010 0.000 2.408 151 L HA 0.370 4.710 4.340 -0.000 0.000 0.268 151 L C 0.026 176.898 176.870 0.005 0.000 0.986 151 L CA -0.512 54.332 54.840 0.006 0.000 0.820 151 L CB 2.216 44.278 42.059 0.006 0.000 1.303 151 L HN 0.811 nan 8.230 nan 0.000 0.411 152 E N 0.845 121.042 120.200 -0.004 0.000 2.398 152 E HA 0.050 4.399 4.350 -0.000 0.000 0.263 152 E C 0.987 177.584 176.600 -0.005 0.000 1.046 152 E CA 0.488 56.882 56.400 -0.010 0.000 0.908 152 E CB 1.102 30.789 29.700 -0.021 0.000 0.963 152 E HN 0.802 nan 8.360 nan 0.000 0.431 153 G N 2.727 111.524 108.800 -0.005 0.000 2.507 153 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.221 153 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.221 153 G C 1.252 176.141 174.900 -0.019 0.000 1.119 153 G CA 0.932 46.025 45.100 -0.011 0.000 0.751 153 G HN 0.666 nan 8.290 nan 0.000 0.574 154 G N 0.075 108.866 108.800 -0.015 0.000 2.408 154 G HA2 0.006 3.966 3.960 -0.000 0.000 0.215 154 G HA3 0.006 3.966 3.960 -0.000 0.000 0.215 154 G C 1.530 176.423 174.900 -0.012 0.000 1.156 154 G CA 0.746 45.837 45.100 -0.014 0.000 0.793 154 G HN 0.509 nan 8.290 nan 0.000 0.535 155 E N 0.283 120.478 120.200 -0.008 0.000 2.338 155 E HA 0.098 4.448 4.350 -0.000 0.000 0.197 155 E C 2.491 179.087 176.600 -0.006 0.000 1.007 155 E CA 0.541 56.938 56.400 -0.006 0.000 0.849 155 E CB 0.032 29.730 29.700 -0.004 0.000 0.774 155 E HN 0.429 nan 8.360 nan 0.000 0.506 156 A N -0.242 122.574 122.820 -0.007 0.000 2.195 156 A HA 0.316 4.635 4.320 -0.000 0.000 0.210 156 A C 1.575 179.154 177.584 -0.010 0.000 1.165 156 A CA 0.716 52.749 52.037 -0.006 0.000 0.806 156 A CB 0.155 19.152 19.000 -0.004 0.000 0.847 156 A HN 0.283 nan 8.150 nan 0.000 0.482 157 G N -0.723 108.068 108.800 -0.014 0.000 2.141 157 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.164 157 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.164 157 G C -0.077 174.809 174.900 -0.025 0.000 1.009 157 G CA -0.074 45.017 45.100 -0.015 0.000 0.677 157 G HN 0.377 nan 8.290 nan 0.000 0.508 158 I N 1.449 121.998 120.570 -0.035 0.000 2.287 158 I HA 0.408 4.577 4.170 -0.000 0.000 0.290 158 I C 0.108 176.198 176.117 -0.045 0.000 1.069 158 I CA -0.559 60.709 61.300 -0.053 0.000 1.237 158 I CB 0.550 38.504 38.000 -0.076 0.000 1.418 158 I HN -0.026 nan 8.210 nan 0.000 0.481 159 I N 5.883 126.428 120.570 -0.041 0.000 2.354 159 I HA 0.331 4.500 4.170 -0.000 0.000 0.292 159 I C 0.733 176.824 176.117 -0.043 0.000 0.989 159 I CA 0.015 61.292 61.300 -0.037 0.000 1.188 159 I CB 1.810 39.792 38.000 -0.030 0.000 1.342 159 I HN 0.545 nan 8.210 nan 0.000 0.457 160 T N 0.719 115.242 114.554 -0.052 0.000 2.762 160 T HA 0.482 4.832 4.350 -0.000 0.000 0.272 160 T C 0.119 174.768 174.700 -0.084 0.000 0.982 160 T CA -0.790 61.272 62.100 -0.064 0.000 1.013 160 T CB 1.185 70.007 68.868 -0.076 0.000 1.309 160 T HN 0.339 nan 8.240 nan 0.000 0.572 161 D N 0.447 120.785 120.400 -0.103 0.000 2.192 161 D HA 0.123 4.763 4.640 -0.000 0.000 0.238 161 D C 0.968 177.128 176.300 -0.233 0.000 1.348 161 D CA 0.008 53.926 54.000 -0.136 0.000 0.938 161 D CB 0.162 40.882 40.800 -0.133 0.000 1.256 161 D HN 0.647 nan 8.370 nan 0.000 0.529 162 N N -0.028 118.511 118.700 -0.267 0.000 2.177 162 N HA -0.034 4.706 4.740 -0.000 0.000 0.218 162 N C -0.363 174.812 175.510 -0.559 0.000 1.182 162 N CA -0.131 52.651 53.050 -0.448 0.000 0.882 162 N CB 0.209 38.598 38.487 -0.162 0.000 1.052 162 N HN 0.216 nan 8.380 nan 0.000 0.519 163 N N 1.258 119.748 118.700 -0.349 0.000 2.739 163 N HA 0.085 4.825 4.740 -0.000 0.000 0.266 163 N C -0.827 174.575 175.510 -0.181 0.000 1.168 163 N CA -0.269 52.672 53.050 -0.182 0.000 1.055 163 N CB -0.235 38.200 38.487 -0.086 0.000 1.393 163 N HN -0.065 nan 8.380 nan 0.000 0.514 164 F N 1.551 121.502 119.950 0.003 0.000 2.563 164 F HA 0.270 4.797 4.527 -0.000 0.000 0.363 164 F C 1.977 177.780 175.800 0.006 0.000 1.123 164 F CA 1.047 59.047 58.000 -0.000 0.000 1.307 164 F CB 0.864 39.862 39.000 -0.003 0.000 1.115 164 F HN 0.569 nan 8.300 nan 0.000 0.592 165 G N 1.068 109.976 108.800 0.179 0.000 2.254 165 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.225 165 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.225 165 G C 0.119 175.069 174.900 0.084 0.000 1.003 165 G CA 0.039 45.214 45.100 0.126 0.000 0.622 165 G HN 1.408 nan 8.290 nan 0.000 0.507 166 S N -1.194 114.533 115.700 0.045 0.000 2.753 166 S HA 0.702 5.172 4.470 -0.000 0.000 0.147 166 S C -0.030 174.567 174.600 -0.004 0.000 0.980 166 S CA 0.757 58.975 58.200 0.030 0.000 1.044 166 S CB 0.056 63.287 63.200 0.052 0.000 1.715 166 S HN 2.031 nan 8.310 nan 0.000 0.515 167 A N 1.412 124.212 122.820 -0.034 0.000 2.351 167 A HA 0.840 5.160 4.320 -0.000 0.000 0.257 167 A C 0.780 178.354 177.584 -0.018 0.000 1.087 167 A CA -0.059 51.942 52.037 -0.060 0.000 0.798 167 A CB 0.211 19.142 19.000 -0.114 0.000 1.033 167 A HN 1.451 nan 8.150 nan 0.000 0.488 168 R N 0.639 121.124 120.500 -0.025 0.000 2.428 168 R HA 0.591 4.931 4.340 -0.000 0.000 0.294 168 R C -0.314 175.990 176.300 0.006 0.000 1.000 168 R CA -0.279 55.824 56.100 0.005 0.000 0.960 168 R CB 0.130 30.422 30.300 -0.013 0.000 1.076 168 R HN 0.997 nan 8.270 nan 0.000 0.475 169 V N 2.359 122.300 119.914 0.045 0.000 2.686 169 V HA 0.172 4.291 4.120 -0.000 0.000 0.295 169 V C 1.408 177.492 176.094 -0.016 0.000 1.055 169 V CA -0.012 62.291 62.300 0.005 0.000 1.050 169 V CB 1.433 33.252 31.823 -0.006 0.000 0.984 169 V HN 1.066 nan 8.190 nan 0.000 0.482 170 K N 3.110 123.493 120.400 -0.029 0.000 2.266 170 K HA 0.313 4.632 4.320 -0.000 0.000 0.209 170 K C 0.469 177.056 176.600 -0.022 0.000 1.065 170 K CA 0.086 56.357 56.287 -0.026 0.000 0.946 170 K CB 0.569 33.051 32.500 -0.030 0.000 1.069 170 K HN 0.685 nan 8.250 nan 0.000 0.472 171 R N 0.426 120.913 120.500 -0.022 0.000 2.808 171 R HA 0.459 4.798 4.340 -0.000 0.000 0.272 171 R C -1.157 175.135 176.300 -0.013 0.000 0.995 171 R CA -0.778 55.315 56.100 -0.011 0.000 0.917 171 R CB 1.802 32.098 30.300 -0.008 0.000 1.217 171 R HN 0.011 nan 8.270 nan 0.000 0.471 172 L N 1.597 122.824 121.223 0.006 0.000 2.305 172 L HA 0.374 4.714 4.340 -0.000 0.000 0.284 172 L C 0.394 177.272 176.870 0.014 0.000 1.013 172 L CA -0.177 54.670 54.840 0.011 0.000 0.819 172 L CB 1.822 43.910 42.059 0.049 0.000 1.227 172 L HN 0.724 nan 8.230 nan 0.000 0.417 173 E N 1.897 122.098 120.200 0.002 0.000 2.501 173 E HA 0.022 4.372 4.350 -0.000 0.000 0.200 173 E C 1.521 178.122 176.600 0.001 0.000 1.016 173 E CA -0.123 56.277 56.400 0.001 0.000 0.921 173 E CB 0.803 30.500 29.700 -0.006 0.000 1.034 173 E HN 0.555 nan 8.360 nan 0.000 0.468 174 V N 1.520 121.436 119.914 0.005 0.000 2.277 174 V HA -0.374 3.745 4.120 -0.000 0.000 0.253 174 V C 2.339 178.435 176.094 0.003 0.000 1.067 174 V CA 2.087 64.389 62.300 0.004 0.000 1.047 174 V CB -0.347 31.483 31.823 0.012 0.000 0.649 174 V HN 0.262 nan 8.190 nan 0.000 0.447 175 K N -0.530 119.872 120.400 0.003 0.000 2.097 175 K HA -0.203 4.116 4.320 -0.000 0.000 0.205 175 K C 2.110 178.708 176.600 -0.003 0.000 1.050 175 K CA 1.525 57.811 56.287 -0.002 0.000 0.938 175 K CB -0.034 32.462 32.500 -0.007 0.000 0.718 175 K HN 0.461 nan 8.250 nan 0.000 0.442 176 E N 0.053 120.252 120.200 -0.003 0.000 2.150 176 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 176 E C 1.879 178.477 176.600 -0.003 0.000 0.985 176 E CA 0.973 57.370 56.400 -0.004 0.000 0.814 176 E CB 0.131 29.828 29.700 -0.004 0.000 0.752 176 E HN 0.193 nan 8.360 nan 0.000 0.466 177 R N -0.433 120.065 120.500 -0.003 0.000 2.128 177 R HA 0.196 4.536 4.340 -0.000 0.000 0.211 177 R C 2.136 178.435 176.300 -0.001 0.000 1.067 177 R CA 0.592 56.690 56.100 -0.003 0.000 1.010 177 R CB -0.071 30.227 30.300 -0.004 0.000 0.922 177 R HN 0.233 nan 8.270 nan 0.000 0.457 178 L N 0.161 121.384 121.223 -0.000 0.000 2.408 178 L HA 0.057 4.397 4.340 -0.000 0.000 0.215 178 L C 2.174 179.045 176.870 0.001 0.000 1.081 178 L CA 0.100 54.941 54.840 0.002 0.000 0.840 178 L CB -0.231 41.831 42.059 0.004 0.000 1.002 178 L HN 0.047 nan 8.230 nan 0.000 0.468 179 L N 1.533 122.756 121.223 -0.001 0.000 2.046 179 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 179 L C -0.334 176.535 176.870 -0.002 0.000 1.077 179 L CA 2.021 56.860 54.840 -0.002 0.000 0.747 179 L CB -1.196 40.860 42.059 -0.004 0.000 0.896 179 L HN 0.101 nan 8.230 nan 0.000 0.432 180 P HA -0.142 nan 4.420 nan 0.000 0.226 180 P C 1.796 179.095 177.300 -0.002 0.000 1.153 180 P CA 1.365 64.464 63.100 -0.002 0.000 0.777 180 P CB 0.104 31.802 31.700 -0.003 0.000 0.794 181 L N -1.285 119.938 121.223 -0.001 0.000 2.127 181 L HA 0.016 4.355 4.340 -0.000 0.000 0.203 181 L C 2.707 179.577 176.870 0.001 0.000 1.080 181 L CA 0.732 55.572 54.840 0.000 0.000 0.768 181 L CB -0.856 41.203 42.059 0.001 0.000 0.924 181 L HN -0.134 nan 8.230 nan 0.000 0.444 182 L N -0.081 121.143 121.223 0.001 0.000 2.201 182 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 182 L C 2.113 178.984 176.870 0.001 0.000 1.105 182 L CA 0.894 55.735 54.840 0.002 0.000 0.775 182 L CB -0.268 41.793 42.059 0.004 0.000 0.913 182 L HN 0.133 nan 8.230 nan 0.000 0.440 183 K N 0.229 120.629 120.400 -0.001 0.000 2.555 183 K HA -0.074 4.246 4.320 -0.000 0.000 0.193 183 K C 0.629 177.228 176.600 -0.002 0.000 1.032 183 K CA 0.677 56.963 56.287 -0.001 0.000 1.004 183 K CB 0.065 32.564 32.500 -0.002 0.000 0.804 183 K HN 0.270 nan 8.250 nan 0.000 0.496 184 E N -1.053 119.145 120.200 -0.002 0.000 2.995 184 E HA 0.168 4.517 4.350 -0.000 0.000 0.203 184 E C 0.211 176.809 176.600 -0.003 0.000 0.980 184 E CA 0.000 56.399 56.400 -0.003 0.000 1.172 184 E CB 0.921 30.620 29.700 -0.003 0.000 1.088 184 E HN 0.272 nan 8.360 nan 0.000 0.463 185 G N 1.524 110.323 108.800 -0.002 0.000 2.186 185 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.266 185 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.266 185 G C 0.332 175.230 174.900 -0.004 0.000 0.982 185 G CA 0.321 45.419 45.100 -0.003 0.000 0.670 185 G HN 0.347 nan 8.290 nan 0.000 0.533 186 I N 1.490 122.059 120.570 -0.002 0.000 2.441 186 I HA 0.219 4.389 4.170 -0.000 0.000 0.287 186 I C 0.626 176.743 176.117 0.000 0.000 1.049 186 I CA -0.750 60.548 61.300 -0.003 0.000 1.381 186 I CB 0.850 38.849 38.000 -0.002 0.000 1.409 186 I HN -0.102 nan 8.210 nan 0.000 0.523 187 I N 8.708 129.278 120.570 -0.001 0.000 2.282 187 I HA 0.238 4.407 4.170 -0.000 0.000 0.290 187 I C -2.139 173.982 176.117 0.006 0.000 1.090 187 I CA -2.645 58.657 61.300 0.004 0.000 1.231 187 I CB -0.139 37.859 38.000 -0.002 0.000 1.434 187 I HN 0.215 nan 8.210 nan 0.000 0.487 188 P HA 0.080 nan 4.420 nan 0.000 0.276 188 P C -0.253 177.061 177.300 0.023 0.000 1.243 188 P CA -0.130 62.979 63.100 0.014 0.000 0.768 188 P CB 1.805 33.513 31.700 0.013 0.000 0.856 189 V N 5.485 125.411 119.914 0.021 0.000 2.333 189 V HA 0.271 4.391 4.120 -0.000 0.000 0.274 189 V C -0.595 175.521 176.094 0.036 0.000 1.028 189 V CA -0.579 61.741 62.300 0.034 0.000 0.851 189 V CB 0.935 32.771 31.823 0.022 0.000 1.000 189 V HN 0.179 nan 8.190 nan 0.000 0.456 190 V N 6.157 126.099 119.914 0.046 0.000 2.439 190 V HA 0.366 4.486 4.120 -0.000 0.000 0.282 190 V C 0.858 176.986 176.094 0.056 0.000 1.039 190 V CA -0.027 62.297 62.300 0.040 0.000 0.913 190 V CB 1.795 33.638 31.823 0.033 0.000 0.983 190 V HN 1.033 nan 8.190 nan 0.000 0.460 191 T N 2.418 117.001 114.554 0.049 0.000 2.765 191 T HA 0.311 4.660 4.350 -0.000 0.000 0.284 191 T C 0.729 175.481 174.700 0.087 0.000 0.946 191 T CA -0.050 62.090 62.100 0.068 0.000 1.185 191 T CB 0.315 69.211 68.868 0.047 0.000 0.887 191 T HN 0.937 nan 8.240 nan 0.000 0.532 192 G N 1.906 110.779 108.800 0.121 0.000 2.684 192 G HA2 0.391 4.351 3.960 -0.000 0.000 0.255 192 G HA3 0.391 4.351 3.960 -0.000 0.000 0.255 192 G C 0.100 175.152 174.900 0.254 0.000 1.219 192 G CA -0.384 44.806 45.100 0.150 0.000 0.901 192 G HN 1.137 nan 8.290 nan 0.000 0.548 193 F N -1.646 118.328 119.950 0.039 0.000 2.504 193 F HA -0.226 4.300 4.527 -0.001 0.000 0.597 193 F C 0.238 176.070 175.800 0.053 0.000 0.505 193 F CA 1.328 59.360 58.000 0.053 0.000 1.106 193 F CB -1.343 37.690 39.000 0.055 0.000 1.874 193 F HN 0.747 nan 8.300 nan 0.000 0.260 194 I N 0.040 120.561 120.570 -0.081 0.000 2.957 194 I HA 0.911 5.081 4.170 -0.000 0.000 0.310 194 I C 0.334 176.398 176.117 -0.087 0.000 1.063 194 I CA -0.008 61.184 61.300 -0.180 0.000 1.033 194 I CB 1.307 39.228 38.000 -0.131 0.000 1.230 194 I HN 0.380 nan 8.210 nan 0.000 0.447 195 G N 1.463 110.215 108.800 -0.079 0.000 2.788 195 G HA2 0.562 4.521 3.960 -0.000 0.000 0.293 195 G HA3 0.562 4.521 3.960 -0.000 0.000 0.293 195 G C -1.506 173.386 174.900 -0.014 0.000 1.392 195 G CA -0.482 44.590 45.100 -0.047 0.000 0.810 195 G HN 0.841 nan 8.290 nan 0.000 0.508 196 T N -0.781 113.768 114.554 -0.008 0.000 2.940 196 T HA 0.665 5.015 4.350 -0.000 0.000 0.288 196 T C 0.160 174.863 174.700 0.004 0.000 1.033 196 T CA -0.182 61.930 62.100 0.020 0.000 1.033 196 T CB 1.321 70.194 68.868 0.009 0.000 1.079 196 T HN 0.465 nan 8.240 nan 0.000 0.496 197 T N 2.504 117.080 114.554 0.036 0.000 2.874 197 T HA 0.208 4.558 4.350 -0.000 0.000 0.281 197 T C 1.246 175.934 174.700 -0.020 0.000 0.994 197 T CA -0.463 61.642 62.100 0.009 0.000 1.015 197 T CB 1.172 70.097 68.868 0.094 0.000 1.028 197 T HN 0.762 nan 8.240 nan 0.000 0.523 198 E N 1.223 121.406 120.200 -0.027 0.000 2.147 198 E HA -0.176 4.174 4.350 -0.000 0.000 0.199 198 E C 1.648 178.210 176.600 -0.065 0.000 1.005 198 E CA 1.303 57.681 56.400 -0.037 0.000 0.810 198 E CB 0.133 29.817 29.700 -0.027 0.000 0.736 198 E HN 0.651 nan 8.360 nan 0.000 0.460 199 E N -0.914 119.227 120.200 -0.097 0.000 2.370 199 E HA 0.105 4.455 4.350 -0.000 0.000 0.194 199 E C 0.598 176.980 176.600 -0.364 0.000 1.057 199 E CA 0.494 56.772 56.400 -0.204 0.000 1.011 199 E CB 0.060 29.635 29.700 -0.209 0.000 1.132 199 E HN 0.267 nan 8.360 nan 0.000 0.450 200 G N 1.094 109.765 108.800 -0.214 0.000 2.160 200 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.244 200 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.244 200 G C -0.673 174.159 174.900 -0.114 0.000 1.022 200 G CA 0.084 45.085 45.100 -0.166 0.000 0.741 200 G HN 0.280 nan 8.290 nan 0.000 0.508 201 Y N -0.598 119.756 120.300 0.090 0.000 2.330 201 Y HA 0.631 5.181 4.550 -0.000 0.000 0.336 201 Y C 1.071 177.088 175.900 0.195 0.000 1.036 201 Y CA -1.945 56.254 58.100 0.165 0.000 1.125 201 Y CB 0.817 39.442 38.460 0.275 0.000 1.194 201 Y HN 0.133 nan 8.280 nan 0.000 0.469 202 I N 2.862 123.674 120.570 0.402 0.000 2.598 202 I HA 0.089 4.259 4.170 -0.000 0.000 0.284 202 I C 0.653 176.962 176.117 0.320 0.000 1.140 202 I CA 0.624 62.089 61.300 0.276 0.000 1.420 202 I CB 0.326 38.472 38.000 0.243 0.000 1.387 202 I HN 0.620 nan 8.210 nan 0.000 0.553 203 T N 3.695 118.345 114.554 0.160 0.000 2.876 203 T HA 0.697 5.046 4.350 -0.000 0.000 0.289 203 T C -0.231 174.426 174.700 -0.073 0.000 1.014 203 T CA -0.652 61.509 62.100 0.103 0.000 0.986 203 T CB 1.213 70.046 68.868 -0.058 0.000 1.021 203 T HN 0.676 nan 8.240 nan 0.000 0.458 204 T N 2.156 116.625 114.554 -0.142 0.000 2.929 204 T HA 0.534 4.883 4.350 -0.000 0.000 0.284 204 T C 1.197 175.669 174.700 -0.380 0.000 1.014 204 T CA -0.996 60.801 62.100 -0.504 0.000 1.051 204 T CB 1.047 69.529 68.868 -0.643 0.000 1.028 204 T HN 0.572 nan 8.240 nan 0.000 0.485 205 L N 1.320 122.243 121.223 -0.500 0.000 2.554 205 L HA 0.445 4.784 4.340 -0.000 0.000 0.225 205 L C 1.540 178.447 176.870 0.061 0.000 1.104 205 L CA 0.305 55.088 54.840 -0.095 0.000 0.866 205 L CB -0.768 41.333 42.059 0.070 0.000 1.047 205 L HN 1.222 nan 8.230 nan 0.000 0.468 206 G N 0.644 109.548 108.800 0.173 0.000 2.549 206 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.404 206 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.404 206 G C -0.572 174.559 174.900 0.385 0.000 1.292 206 G CA -0.766 44.519 45.100 0.307 0.000 0.935 206 G HN 0.131 nan 8.290 nan 0.000 0.512 207 R N 0.696 121.325 120.500 0.216 0.000 2.522 207 R HA 0.426 4.766 4.340 -0.000 0.000 0.284 207 R C 1.555 177.836 176.300 -0.031 0.000 1.032 207 R CA 1.584 57.742 56.100 0.096 0.000 1.049 207 R CB -0.253 30.110 30.300 0.105 0.000 0.956 207 R HN 2.532 nan 8.270 nan 0.000 0.422 208 G N 2.674 111.358 108.800 -0.193 0.000 2.143 208 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.248 208 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.248 208 G C 0.672 175.467 174.900 -0.174 0.000 0.991 208 G CA 0.293 45.055 45.100 -0.563 0.000 0.689 208 G HN 0.835 nan 8.290 nan 0.000 0.522 209 G N -0.346 108.519 108.800 0.110 0.000 2.650 209 G HA2 0.221 4.181 3.960 -0.000 0.000 0.214 209 G HA3 0.221 4.181 3.960 -0.000 0.000 0.214 209 G C 1.600 176.692 174.900 0.321 0.000 1.136 209 G CA 1.802 47.100 45.100 0.330 0.000 0.789 209 G HN 0.843 nan 8.290 nan 0.000 0.536 210 S N 0.139 115.963 115.700 0.207 0.000 2.406 210 S HA -0.032 4.438 4.470 -0.000 0.000 0.224 210 S C 1.978 176.648 174.600 0.116 0.000 1.030 210 S CA 1.049 59.347 58.200 0.164 0.000 0.958 210 S CB -0.101 63.162 63.200 0.105 0.000 0.811 210 S HN 0.292 nan 8.310 nan 0.000 0.489 211 D N 0.248 120.700 120.400 0.086 0.000 2.117 211 D HA -0.097 4.543 4.640 -0.000 0.000 0.197 211 D C 1.538 177.928 176.300 0.149 0.000 0.987 211 D CA 1.046 55.104 54.000 0.096 0.000 0.829 211 D CB -0.526 40.328 40.800 0.091 0.000 0.961 211 D HN 0.485 nan 8.370 nan 0.000 0.460 212 Y N 1.769 122.076 120.300 0.013 0.000 2.224 212 Y HA -0.191 4.359 4.550 -0.000 0.000 0.289 212 Y C 2.408 178.324 175.900 0.027 0.000 1.146 212 Y CA 0.950 59.060 58.100 0.018 0.000 1.182 212 Y CB -0.473 37.992 38.460 0.007 0.000 0.983 212 Y HN -0.161 nan 8.280 nan 0.000 0.524 213 S N 0.124 115.813 115.700 -0.019 0.000 2.359 213 S HA -0.283 4.187 4.470 -0.000 0.000 0.223 213 S C 2.328 176.891 174.600 -0.061 0.000 1.039 213 S CA 1.515 59.664 58.200 -0.086 0.000 1.042 213 S CB -0.930 62.283 63.200 0.021 0.000 0.915 213 S HN 0.656 nan 8.310 nan 0.000 0.439 214 A N 1.387 124.212 122.820 0.008 0.000 1.908 214 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 214 A C 2.357 179.952 177.584 0.017 0.000 1.181 214 A CA 2.029 54.079 52.037 0.022 0.000 0.627 214 A CB -1.213 17.811 19.000 0.039 0.000 0.818 214 A HN 0.566 nan 8.150 nan 0.000 0.445 215 A N -0.355 122.480 122.820 0.024 0.000 1.883 215 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 215 A C 2.198 179.782 177.584 -0.000 0.000 1.186 215 A CA 1.604 53.669 52.037 0.047 0.000 0.624 215 A CB -0.652 18.419 19.000 0.118 0.000 0.822 215 A HN 0.485 nan 8.150 nan 0.000 0.444 216 L N -0.234 120.898 121.223 -0.152 0.000 2.046 216 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 216 L C 2.471 179.325 176.870 -0.026 0.000 1.077 216 L CA 0.785 55.522 54.840 -0.170 0.000 0.747 216 L CB -0.542 41.293 42.059 -0.374 0.000 0.896 216 L HN 0.333 nan 8.230 nan 0.000 0.432 217 I N 0.329 120.881 120.570 -0.030 0.000 2.127 217 I HA -0.244 3.926 4.170 -0.000 0.000 0.241 217 I C 2.694 178.834 176.117 0.040 0.000 1.075 217 I CA 1.986 63.290 61.300 0.008 0.000 1.334 217 I CB -1.918 36.087 38.000 0.007 0.000 1.040 217 I HN 0.294 nan 8.210 nan 0.000 0.405 218 G N -0.357 108.473 108.800 0.050 0.000 2.440 218 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.218 218 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.218 218 G C 1.795 176.743 174.900 0.079 0.000 1.154 218 G CA 0.936 46.072 45.100 0.060 0.000 0.767 218 G HN 0.401 nan 8.290 nan 0.000 0.552 219 Y N 1.623 121.912 120.300 -0.020 0.000 2.145 219 Y HA -0.013 4.537 4.550 -0.000 0.000 0.286 219 Y C 2.816 178.703 175.900 -0.022 0.000 1.145 219 Y CA 1.820 59.907 58.100 -0.021 0.000 1.148 219 Y CB -0.413 38.031 38.460 -0.026 0.000 0.981 219 Y HN 0.132 nan 8.280 nan 0.000 0.507 220 G N -0.409 108.494 108.800 0.172 0.000 2.471 220 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.219 220 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.219 220 G C 1.326 176.224 174.900 -0.002 0.000 1.125 220 G CA 0.823 45.973 45.100 0.084 0.000 0.775 220 G HN 0.452 nan 8.290 nan 0.000 0.548 221 L N -0.175 121.043 121.223 -0.008 0.000 2.693 221 L HA 0.198 4.538 4.340 -0.000 0.000 0.235 221 L C 0.133 176.979 176.870 -0.040 0.000 1.127 221 L CA -0.138 54.690 54.840 -0.019 0.000 0.914 221 L CB 0.206 42.265 42.059 -0.001 0.000 1.193 221 L HN 0.051 nan 8.230 nan 0.000 0.502 222 D N 1.428 121.782 120.400 -0.077 0.000 2.697 222 D HA -0.168 4.472 4.640 -0.000 0.000 0.238 222 D C 0.560 176.837 176.300 -0.038 0.000 1.152 222 D CA 0.851 54.800 54.000 -0.085 0.000 0.666 222 D CB -0.471 40.276 40.800 -0.088 0.000 1.037 222 D HN 0.346 nan 8.370 nan 0.000 0.423 223 A N 0.320 123.130 122.820 -0.016 0.000 2.466 223 A HA 0.082 4.402 4.320 -0.000 0.000 0.238 223 A C 1.325 178.914 177.584 0.009 0.000 1.074 223 A CA 0.106 52.146 52.037 0.004 0.000 0.774 223 A CB 0.537 19.549 19.000 0.020 0.000 1.015 223 A HN 0.113 nan 8.150 nan 0.000 0.498 224 D N -0.469 119.938 120.400 0.013 0.000 2.249 224 D HA 0.126 4.766 4.640 -0.000 0.000 0.205 224 D C -0.054 176.260 176.300 0.022 0.000 0.962 224 D CA 1.383 55.392 54.000 0.015 0.000 0.860 224 D CB 0.258 41.066 40.800 0.012 0.000 0.955 224 D HN 0.456 nan 8.370 nan 0.000 0.505 225 I N 0.250 120.836 120.570 0.026 0.000 2.685 225 I HA 0.237 4.406 4.170 -0.000 0.000 0.289 225 I C -1.868 174.266 176.117 0.027 0.000 1.292 225 I CA -0.498 60.816 61.300 0.024 0.000 1.050 225 I CB 1.939 39.949 38.000 0.015 0.000 1.301 225 I HN -0.300 nan 8.210 nan 0.000 0.425 226 I N 6.852 127.437 120.570 0.026 0.000 2.354 226 I HA 0.423 4.593 4.170 -0.000 0.000 0.292 226 I C -0.400 175.708 176.117 -0.016 0.000 0.989 226 I CA -0.399 60.914 61.300 0.022 0.000 1.188 226 I CB 1.469 39.495 38.000 0.042 0.000 1.342 226 I HN 0.496 nan 8.210 nan 0.000 0.457 227 E N 6.485 126.671 120.200 -0.024 0.000 2.155 227 E HA 0.405 4.754 4.350 -0.000 0.000 0.264 227 E C -1.114 175.404 176.600 -0.138 0.000 0.886 227 E CA -0.809 55.524 56.400 -0.112 0.000 0.752 227 E CB 2.189 31.863 29.700 -0.043 0.000 1.133 227 E HN 0.362 nan 8.360 nan 0.000 0.414 228 I N 3.343 123.792 120.570 -0.203 0.000 2.291 228 I HA 0.157 4.326 4.170 -0.000 0.000 0.290 228 I C -0.783 175.187 176.117 -0.244 0.000 1.050 228 I CA -0.118 61.094 61.300 -0.147 0.000 1.245 228 I CB 0.217 38.177 38.000 -0.066 0.000 1.405 228 I HN 0.381 nan 8.210 nan 0.000 0.478 229 W N 5.981 127.124 121.300 -0.263 0.000 2.332 229 W HA 0.543 5.203 4.660 -0.001 0.000 0.306 229 W C 0.802 177.312 176.519 -0.015 0.000 1.149 229 W CA -0.159 57.079 57.345 -0.178 0.000 1.271 229 W CB 1.358 30.599 29.460 -0.365 0.000 1.243 229 W HN 0.378 nan 8.180 nan 0.000 0.459 230 T N 0.932 115.617 114.554 0.218 0.000 2.676 230 T HA 0.185 4.534 4.350 -0.000 0.000 0.269 230 T C 0.148 175.020 174.700 0.287 0.000 0.952 230 T CA -0.495 61.730 62.100 0.208 0.000 1.040 230 T CB 0.974 69.901 68.868 0.097 0.000 1.352 230 T HN 0.406 nan 8.240 nan 0.000 0.554 231 D N 0.365 120.914 120.400 0.248 0.000 2.388 231 D HA 0.260 4.900 4.640 -0.000 0.000 0.221 231 D C 0.273 176.680 176.300 0.177 0.000 1.133 231 D CA -0.236 53.931 54.000 0.278 0.000 0.831 231 D CB -0.307 40.600 40.800 0.179 0.000 0.962 231 D HN 0.399 nan 8.370 nan 0.000 0.502 232 V N -3.514 116.479 119.914 0.131 0.000 2.841 232 V HA 0.553 4.672 4.120 -0.000 0.000 0.310 232 V C 0.008 176.092 176.094 -0.016 0.000 1.090 232 V CA -1.075 61.279 62.300 0.089 0.000 0.930 232 V CB 1.810 33.693 31.823 0.099 0.000 1.014 232 V HN -0.061 nan 8.190 nan 0.000 0.425 233 S N 3.678 119.349 115.700 -0.048 0.000 4.051 233 S HA 0.533 5.003 4.470 -0.000 0.000 0.215 233 S C 0.988 175.409 174.600 -0.297 0.000 1.289 233 S CA 0.616 58.744 58.200 -0.120 0.000 0.907 233 S CB -1.023 62.158 63.200 -0.032 0.000 1.603 233 S HN 2.092 nan 8.310 nan 0.000 0.453 234 G N 1.254 109.896 108.800 -0.263 0.000 2.593 234 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.237 234 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.237 234 G C -0.564 174.123 174.900 -0.355 0.000 1.312 234 G CA -0.484 44.446 45.100 -0.283 0.000 0.896 234 G HN 0.711 nan 8.290 nan 0.000 0.574 235 V N 0.769 120.504 119.914 -0.299 0.000 2.483 235 V HA 0.618 4.738 4.120 -0.000 0.000 0.295 235 V C -0.094 175.854 176.094 -0.243 0.000 1.035 235 V CA -0.737 61.422 62.300 -0.234 0.000 0.896 235 V CB 1.310 33.064 31.823 -0.115 0.000 0.986 235 V HN 0.611 nan 8.190 nan 0.000 0.447 236 Y N 1.866 122.170 120.300 0.008 0.000 2.326 236 Y HA 0.258 4.808 4.550 -0.000 0.000 0.324 236 Y C 2.080 178.008 175.900 0.048 0.000 1.291 236 Y CA 0.118 58.235 58.100 0.027 0.000 1.348 236 Y CB 1.036 39.510 38.460 0.023 0.000 1.294 236 Y HN 0.832 nan 8.280 nan 0.000 0.525 237 T N -2.891 111.835 114.554 0.287 0.000 2.720 237 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 237 T C 0.673 175.505 174.700 0.221 0.000 1.037 237 T CA 1.686 63.925 62.100 0.230 0.000 1.144 237 T CB -0.313 68.731 68.868 0.294 0.000 0.864 237 T HN 0.596 nan 8.240 nan 0.000 0.444 238 T N 0.369 115.039 114.554 0.193 0.000 2.885 238 T HA 0.269 4.619 4.350 -0.000 0.000 0.322 238 T C -1.995 172.719 174.700 0.024 0.000 1.387 238 T CA -0.779 61.383 62.100 0.103 0.000 1.041 238 T CB 1.684 70.600 68.868 0.080 0.000 1.287 238 T HN 0.250 nan 8.240 nan 0.000 0.491 239 D N 3.769 124.185 120.400 0.027 0.000 2.923 239 D HA -0.038 4.602 4.640 -0.000 0.000 0.220 239 D C -1.080 175.153 176.300 -0.111 0.000 1.099 239 D CA -0.728 53.268 54.000 -0.008 0.000 0.807 239 D CB 1.354 42.155 40.800 0.002 0.000 1.155 239 D HN 0.308 nan 8.370 nan 0.000 0.524 240 P HA -0.172 nan 4.420 nan 0.000 0.218 240 P C 1.287 178.486 177.300 -0.168 0.000 1.149 240 P CA 1.401 64.335 63.100 -0.276 0.000 0.817 240 P CB -0.011 31.456 31.700 -0.388 0.000 0.785 241 R N 0.345 120.781 120.500 -0.107 0.000 2.241 241 R HA -0.021 4.319 4.340 -0.000 0.000 0.224 241 R C 2.305 178.561 176.300 -0.074 0.000 1.101 241 R CA 1.378 57.433 56.100 -0.075 0.000 0.995 241 R CB -1.858 28.415 30.300 -0.046 0.000 0.870 241 R HN 0.316 nan 8.270 nan 0.000 0.463 242 L N -1.607 119.563 121.223 -0.089 0.000 2.500 242 L HA 0.316 4.656 4.340 -0.000 0.000 0.219 242 L C -0.123 176.680 176.870 -0.113 0.000 1.057 242 L CA 0.129 54.920 54.840 -0.082 0.000 0.854 242 L CB 0.771 42.790 42.059 -0.066 0.000 1.078 242 L HN 0.045 nan 8.230 nan 0.000 0.480 243 V N 1.682 121.492 119.914 -0.173 0.000 2.443 243 V HA 0.247 4.367 4.120 -0.000 0.000 0.293 243 V C -1.474 174.491 176.094 -0.214 0.000 1.021 243 V CA -1.009 61.152 62.300 -0.231 0.000 0.848 243 V CB 2.072 33.619 31.823 -0.459 0.000 0.998 243 V HN -0.086 nan 8.190 nan 0.000 0.424 244 P HA -0.084 nan 4.420 nan 0.000 0.216 244 P C 0.974 178.199 177.300 -0.126 0.000 1.153 244 P CA 1.336 64.363 63.100 -0.123 0.000 0.848 244 P CB 0.054 31.708 31.700 -0.077 0.000 0.787 245 T N -2.724 111.773 114.554 -0.095 0.000 3.332 245 T HA 0.547 4.896 4.350 -0.000 0.000 0.246 245 T C 0.638 175.328 174.700 -0.016 0.000 0.943 245 T CA -0.664 61.413 62.100 -0.039 0.000 0.922 245 T CB -1.021 67.855 68.868 0.013 0.000 1.086 245 T HN 0.103 nan 8.240 nan 0.000 0.590 246 A N 1.356 124.100 122.820 -0.126 0.000 2.396 246 A HA 0.684 5.003 4.320 -0.000 0.000 0.279 246 A C 0.953 178.567 177.584 0.049 0.000 1.165 246 A CA -0.685 51.304 52.037 -0.079 0.000 0.824 246 A CB -0.254 18.592 19.000 -0.257 0.000 1.100 246 A HN 0.954 nan 8.150 nan 0.000 0.516 247 R N 1.346 121.975 120.500 0.214 0.000 2.560 247 R HA 0.706 5.045 4.340 -0.000 0.000 0.270 247 R C 0.598 177.129 176.300 0.385 0.000 1.074 247 R CA 0.213 56.467 56.100 0.257 0.000 1.140 247 R CB -0.212 30.184 30.300 0.159 0.000 1.073 247 R HN 1.715 nan 8.270 nan 0.000 0.527 248 R N 1.492 122.147 120.500 0.258 0.000 2.389 248 R HA 0.503 4.843 4.340 -0.000 0.000 0.295 248 R C 0.331 176.638 176.300 0.011 0.000 1.075 248 R CA -0.144 55.963 56.100 0.012 0.000 1.005 248 R CB -0.411 29.817 30.300 -0.120 0.000 0.987 248 R HN 0.717 nan 8.270 nan 0.000 0.452 249 I N 4.908 125.463 120.570 -0.025 0.000 2.421 249 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 249 I C -1.470 174.615 176.117 -0.054 0.000 1.089 249 I CA -1.770 59.519 61.300 -0.019 0.000 1.354 249 I CB 1.736 39.727 38.000 -0.016 0.000 1.413 249 I HN 0.560 nan 8.210 nan 0.000 0.513 250 P HA -0.050 nan 4.420 nan 0.000 0.216 250 P C -0.243 177.016 177.300 -0.067 0.000 1.153 250 P CA 1.295 64.363 63.100 -0.052 0.000 0.844 250 P CB 0.293 31.973 31.700 -0.034 0.000 0.787 251 K N -1.283 119.079 120.400 -0.062 0.000 2.426 251 K HA 0.619 4.939 4.320 -0.000 0.000 0.251 251 K C -1.344 175.209 176.600 -0.078 0.000 0.941 251 K CA -0.551 55.690 56.287 -0.077 0.000 0.808 251 K CB 1.860 34.318 32.500 -0.070 0.000 1.265 251 K HN -0.223 nan 8.250 nan 0.000 0.432 252 L N 0.820 121.980 121.223 -0.105 0.000 2.409 252 L HA 0.568 4.908 4.340 -0.000 0.000 0.262 252 L C -0.766 176.013 176.870 -0.151 0.000 0.992 252 L CA -0.252 54.528 54.840 -0.101 0.000 0.817 252 L CB 2.300 44.305 42.059 -0.091 0.000 1.350 252 L HN 0.816 nan 8.230 nan 0.000 0.411 253 S N 1.381 117.011 115.700 -0.117 0.000 2.632 253 S HA 0.321 4.791 4.470 -0.000 0.000 0.271 253 S C 0.957 175.488 174.600 -0.116 0.000 1.260 253 S CA -0.191 57.922 58.200 -0.144 0.000 1.010 253 S CB 0.501 63.675 63.200 -0.044 0.000 0.965 253 S HN 0.470 nan 8.310 nan 0.000 0.534 254 Y N 1.098 121.398 120.300 0.000 0.000 2.151 254 Y HA -0.140 4.410 4.550 -0.000 0.000 0.284 254 Y C 2.085 177.988 175.900 0.005 0.000 1.166 254 Y CA 1.686 59.789 58.100 0.005 0.000 1.163 254 Y CB -0.937 37.531 38.460 0.013 0.000 0.974 254 Y HN 0.575 nan 8.280 nan 0.000 0.511 255 I N -0.477 120.189 120.570 0.160 0.000 2.353 255 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 255 I C 2.059 178.210 176.117 0.056 0.000 1.119 255 I CA 1.307 62.663 61.300 0.093 0.000 1.417 255 I CB -0.487 37.556 38.000 0.073 0.000 1.078 255 I HN 0.207 nan 8.210 nan 0.000 0.421 256 E N 1.447 121.667 120.200 0.035 0.000 2.077 256 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 256 E C 2.436 179.045 176.600 0.015 0.000 0.989 256 E CA 1.280 57.690 56.400 0.016 0.000 0.800 256 E CB -0.230 29.468 29.700 -0.003 0.000 0.746 256 E HN 0.513 nan 8.360 nan 0.000 0.452 257 A N 1.040 123.867 122.820 0.013 0.000 1.917 257 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 257 A C 2.149 179.739 177.584 0.010 0.000 1.182 257 A CA 1.665 53.705 52.037 0.005 0.000 0.633 257 A CB -0.473 18.538 19.000 0.018 0.000 0.819 257 A HN 0.168 nan 8.150 nan 0.000 0.448 258 M N -1.109 118.513 119.600 0.036 0.000 2.288 258 M HA -0.067 4.413 4.480 -0.000 0.000 0.266 258 M C 1.794 178.111 176.300 0.030 0.000 1.072 258 M CA 0.923 56.242 55.300 0.032 0.000 1.132 258 M CB -0.222 32.407 32.600 0.048 0.000 1.386 258 M HN 0.331 nan 8.290 nan 0.000 0.432 259 E N 0.577 120.799 120.200 0.037 0.000 2.204 259 E HA -0.070 4.280 4.350 -0.000 0.000 0.194 259 E C 1.885 178.521 176.600 0.060 0.000 0.989 259 E CA 0.992 57.421 56.400 0.049 0.000 0.824 259 E CB -0.126 29.601 29.700 0.045 0.000 0.756 259 E HN 0.543 nan 8.360 nan 0.000 0.477 260 L N 0.220 121.463 121.223 0.034 0.000 2.554 260 L HA 0.072 4.412 4.340 -0.000 0.000 0.226 260 L C 1.145 177.983 176.870 -0.053 0.000 1.137 260 L CA 0.030 54.891 54.840 0.034 0.000 0.863 260 L CB 0.038 42.100 42.059 0.005 0.000 0.985 260 L HN -0.119 nan 8.230 nan 0.000 0.451 261 A N 0.326 123.095 122.820 -0.085 0.000 3.094 261 A HA 0.297 4.617 4.320 -0.000 0.000 0.288 261 A C -0.301 177.203 177.584 -0.134 0.000 1.519 261 A CA -0.583 51.320 52.037 -0.223 0.000 1.227 261 A CB -1.083 17.818 19.000 -0.164 0.000 1.175 261 A HN 0.330 nan 8.150 nan 0.000 0.568 262 Y N -1.277 119.020 120.300 -0.005 0.000 2.397 262 Y HA 0.434 4.984 4.550 -0.001 0.000 0.335 262 Y C 0.067 176.009 175.900 0.070 0.000 1.213 262 Y CA -1.709 56.418 58.100 0.044 0.000 1.391 262 Y CB 0.122 38.599 38.460 0.028 0.000 1.293 262 Y HN 0.425 nan 8.280 nan 0.000 0.557 263 F N 4.365 124.409 119.950 0.158 0.000 2.484 263 F HA 0.335 4.862 4.527 -0.001 0.000 0.355 263 F C 1.020 176.917 175.800 0.161 0.000 1.170 263 F CA 1.075 59.141 58.000 0.110 0.000 1.025 263 F CB -0.349 38.712 39.000 0.103 0.000 1.107 263 F HN 0.940 nan 8.300 nan 0.000 0.589 264 G N 3.431 112.002 108.800 -0.382 0.000 2.367 264 G HA2 0.039 3.998 3.960 -0.000 0.000 0.181 264 G HA3 0.039 3.998 3.960 -0.000 0.000 0.181 264 G C 0.356 175.133 174.900 -0.204 0.000 1.000 264 G CA -0.271 44.645 45.100 -0.307 0.000 0.693 264 G HN 1.133 nan 8.290 nan 0.000 0.480 265 A N 0.444 122.942 122.820 -0.537 0.000 2.536 265 A HA 0.575 4.895 4.320 -0.000 0.000 0.234 265 A C 1.330 178.681 177.584 -0.390 0.000 1.076 265 A CA 1.556 53.145 52.037 -0.748 0.000 0.769 265 A CB 0.284 18.614 19.000 -1.117 0.000 1.020 265 A HN 0.379 nan 8.150 nan 0.000 0.508 266 K N 0.305 120.552 120.400 -0.254 0.000 1.991 266 K HA 0.015 4.335 4.320 -0.000 0.000 0.208 266 K C 1.834 178.379 176.600 -0.092 0.000 1.038 266 K CA 1.412 57.636 56.287 -0.104 0.000 0.943 266 K CB -0.295 32.187 32.500 -0.030 0.000 0.736 266 K HN 0.485 nan 8.250 nan 0.000 0.440 267 V N 1.678 121.512 119.914 -0.133 0.000 2.331 267 V HA -0.024 4.096 4.120 -0.000 0.000 0.242 267 V C 1.052 177.083 176.094 -0.104 0.000 1.034 267 V CA 0.815 63.076 62.300 -0.065 0.000 1.027 267 V CB -0.193 31.590 31.823 -0.065 0.000 0.667 267 V HN 0.163 nan 8.190 nan 0.000 0.457 268 L N 0.934 121.998 121.223 -0.266 0.000 2.350 268 L HA 0.488 4.828 4.340 -0.000 0.000 0.275 268 L C -0.344 176.228 176.870 -0.497 0.000 1.099 268 L CA -0.004 54.700 54.840 -0.227 0.000 0.808 268 L CB 0.445 42.401 42.059 -0.172 0.000 1.149 268 L HN 0.288 nan 8.230 nan 0.000 0.442 269 H N 1.626 120.679 119.070 -0.028 0.000 2.856 269 H HA 0.183 4.739 4.556 -0.000 0.000 0.355 269 H C -2.097 173.228 175.328 -0.006 0.000 1.079 269 H CA -1.516 54.520 56.048 -0.021 0.000 1.240 269 H CB 2.403 32.159 29.762 -0.009 0.000 1.701 269 H HN 0.301 nan 8.280 nan 0.000 0.527 270 P HA -0.138 nan 4.420 nan 0.000 0.215 270 P C 1.662 178.978 177.300 0.027 0.000 1.153 270 P CA 1.292 64.421 63.100 0.047 0.000 0.853 270 P CB 0.463 32.184 31.700 0.035 0.000 0.788 271 R N -0.871 119.616 120.500 -0.022 0.000 2.115 271 R HA -0.064 4.276 4.340 -0.000 0.000 0.230 271 R C 1.736 178.021 176.300 -0.025 0.000 1.111 271 R CA 1.617 57.623 56.100 -0.156 0.000 0.976 271 R CB -0.597 29.445 30.300 -0.430 0.000 0.870 271 R HN 0.133 nan 8.270 nan 0.000 0.445 272 T N 0.459 115.071 114.554 0.096 0.000 2.904 272 T HA -0.007 4.342 4.350 -0.000 0.000 0.267 272 T C 1.682 176.484 174.700 0.170 0.000 1.059 272 T CA 0.999 63.231 62.100 0.220 0.000 1.137 272 T CB 0.026 69.019 68.868 0.208 0.000 0.879 272 T HN 0.171 nan 8.240 nan 0.000 0.467 273 I N 0.788 121.435 120.570 0.128 0.000 2.333 273 I HA -0.049 4.121 4.170 -0.000 0.000 0.246 273 I C 2.614 178.775 176.117 0.074 0.000 1.106 273 I CA 0.827 62.204 61.300 0.128 0.000 1.411 273 I CB -0.261 37.817 38.000 0.131 0.000 1.082 273 I HN 0.122 nan 8.210 nan 0.000 0.420 274 E N 1.726 121.953 120.200 0.045 0.000 2.086 274 E HA -0.233 4.116 4.350 -0.000 0.000 0.205 274 E C -0.596 175.996 176.600 -0.013 0.000 1.027 274 E CA 2.331 58.730 56.400 -0.002 0.000 0.830 274 E CB -1.289 28.408 29.700 -0.005 0.000 0.751 274 E HN 0.277 nan 8.360 nan 0.000 0.456 275 P HA -0.055 nan 4.420 nan 0.000 0.216 275 P C 1.058 178.441 177.300 0.139 0.000 1.153 275 P CA 2.171 65.316 63.100 0.075 0.000 0.844 275 P CB -0.244 31.476 31.700 0.034 0.000 0.787 276 A N -0.498 122.372 122.820 0.084 0.000 1.933 276 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 276 A C 2.293 179.751 177.584 -0.210 0.000 1.175 276 A CA 1.852 53.928 52.037 0.064 0.000 0.628 276 A CB -1.519 17.585 19.000 0.173 0.000 0.814 276 A HN 0.146 nan 8.150 nan 0.000 0.444 277 M N -0.805 118.508 119.600 -0.479 0.000 2.117 277 M HA -0.180 4.299 4.480 -0.000 0.000 0.262 277 M C 2.063 178.063 176.300 -0.500 0.000 1.065 277 M CA 2.298 56.959 55.300 -1.065 0.000 1.114 277 M CB -0.186 32.034 32.600 -0.633 0.000 1.361 277 M HN 0.588 nan 8.290 nan 0.000 0.408 278 E N 0.120 120.208 120.200 -0.187 0.000 2.051 278 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 278 E C 1.422 178.008 176.600 -0.024 0.000 0.991 278 E CA 1.230 57.607 56.400 -0.038 0.000 0.799 278 E CB 0.179 29.949 29.700 0.116 0.000 0.748 278 E HN 0.403 nan 8.360 nan 0.000 0.449 279 K N -1.018 119.375 120.400 -0.011 0.000 2.404 279 K HA 0.084 4.403 4.320 -0.000 0.000 0.194 279 K C 0.810 177.386 176.600 -0.039 0.000 1.023 279 K CA 0.660 56.913 56.287 -0.056 0.000 1.094 279 K CB 1.055 33.482 32.500 -0.123 0.000 0.841 279 K HN 0.320 nan 8.250 nan 0.000 0.523 280 G N 2.486 111.250 108.800 -0.059 0.000 2.160 280 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.251 280 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.251 280 G C 0.123 175.107 174.900 0.139 0.000 1.008 280 G CA -0.064 45.057 45.100 0.034 0.000 0.724 280 G HN 0.286 nan 8.290 nan 0.000 0.514 281 I N 2.612 123.247 120.570 0.110 0.000 2.452 281 I HA 0.221 4.391 4.170 -0.000 0.000 0.287 281 I C -1.153 175.099 176.117 0.225 0.000 1.079 281 I CA -1.965 59.410 61.300 0.126 0.000 1.387 281 I CB 0.768 38.818 38.000 0.084 0.000 1.404 281 I HN -0.026 nan 8.210 nan 0.000 0.522 282 P HA 0.179 nan 4.420 nan 0.000 0.272 282 P C -0.797 176.545 177.300 0.070 0.000 1.223 282 P CA -0.055 63.100 63.100 0.092 0.000 0.784 282 P CB 1.108 32.817 31.700 0.015 0.000 0.923 283 I N 2.368 122.952 120.570 0.023 0.000 2.433 283 I HA 0.342 4.511 4.170 -0.000 0.000 0.292 283 I C 0.035 176.109 176.117 -0.072 0.000 1.001 283 I CA -0.871 60.428 61.300 -0.002 0.000 1.119 283 I CB 1.381 39.398 38.000 0.029 0.000 1.289 283 I HN 0.248 nan 8.210 nan 0.000 0.438 284 L N 7.635 128.797 121.223 -0.103 0.000 2.349 284 L HA 0.525 4.865 4.340 -0.000 0.000 0.278 284 L C -0.800 175.922 176.870 -0.246 0.000 0.996 284 L CA -0.418 54.322 54.840 -0.167 0.000 0.825 284 L CB 1.708 43.664 42.059 -0.170 0.000 1.243 284 L HN 0.283 nan 8.230 nan 0.000 0.412 285 V N 5.727 125.495 119.914 -0.244 0.000 2.383 285 V HA 0.499 4.619 4.120 -0.000 0.000 0.275 285 V C 0.191 176.055 176.094 -0.383 0.000 1.036 285 V CA -0.515 61.616 62.300 -0.282 0.000 0.889 285 V CB 1.079 32.789 31.823 -0.188 0.000 0.985 285 V HN 0.738 nan 8.190 nan 0.000 0.459 286 K N 2.912 122.964 120.400 -0.580 0.000 2.395 286 K HA 0.476 4.796 4.320 -0.000 0.000 0.245 286 K C -0.678 175.715 176.600 -0.344 0.000 1.017 286 K CA -1.059 54.823 56.287 -0.676 0.000 0.852 286 K CB 1.701 33.379 32.500 -1.371 0.000 1.311 286 K HN 0.517 nan 8.250 nan 0.000 0.452 287 N N 0.720 119.353 118.700 -0.111 0.000 2.457 287 N HA 0.111 4.851 4.740 -0.000 0.000 0.250 287 N C -0.012 175.777 175.510 0.465 0.000 0.982 287 N CA 0.011 53.175 53.050 0.189 0.000 0.941 287 N CB 1.306 39.886 38.487 0.155 0.000 1.120 287 N HN 0.460 nan 8.380 nan 0.000 0.505 288 T N 2.348 117.242 114.554 0.568 0.000 2.929 288 T HA -0.057 4.293 4.350 -0.000 0.000 0.271 288 T C 0.950 175.689 174.700 0.065 0.000 1.085 288 T CA 1.241 63.584 62.100 0.405 0.000 1.125 288 T CB -0.195 68.785 68.868 0.187 0.000 0.874 288 T HN 0.499 nan 8.240 nan 0.000 0.494 289 F N 0.559 120.664 119.950 0.258 0.000 2.653 289 F HA 0.428 4.955 4.527 -0.000 0.000 0.304 289 F C 0.958 176.842 175.800 0.140 0.000 1.092 289 F CA -0.379 57.703 58.000 0.136 0.000 1.279 289 F CB 0.539 39.581 39.000 0.069 0.000 1.044 289 F HN -0.019 nan 8.300 nan 0.000 0.564 290 E N 0.011 120.401 120.200 0.317 0.000 3.832 290 E HA 0.264 4.613 4.350 -0.000 0.000 0.250 290 E C -2.269 174.474 176.600 0.238 0.000 1.215 290 E CA -1.765 54.774 56.400 0.232 0.000 1.179 290 E CB 0.224 30.034 29.700 0.183 0.000 1.270 290 E HN -0.083 nan 8.360 nan 0.000 0.405 291 P HA -0.065 nan 4.420 nan 0.000 0.231 291 P C 0.601 178.039 177.300 0.230 0.000 1.158 291 P CA 0.698 64.020 63.100 0.370 0.000 0.763 291 P CB 0.454 32.335 31.700 0.301 0.000 0.805 292 E N -1.039 119.254 120.200 0.154 0.000 2.447 292 E HA 0.067 4.417 4.350 -0.000 0.000 0.195 292 E C 0.873 177.512 176.600 0.065 0.000 1.028 292 E CA 0.147 56.607 56.400 0.100 0.000 0.876 292 E CB -0.411 29.340 29.700 0.085 0.000 0.885 292 E HN 0.116 nan 8.360 nan 0.000 0.500 293 S N 0.848 116.584 115.700 0.059 0.000 2.572 293 S HA -0.056 4.414 4.470 -0.000 0.000 0.267 293 S C 1.111 175.698 174.600 -0.021 0.000 1.361 293 S CA 0.035 58.245 58.200 0.017 0.000 1.009 293 S CB 0.696 63.899 63.200 0.005 0.000 0.888 293 S HN -0.010 nan 8.310 nan 0.000 0.553 294 E N 1.116 121.292 120.200 -0.040 0.000 2.415 294 E HA 0.198 4.548 4.350 -0.000 0.000 0.197 294 E C 1.278 177.814 176.600 -0.107 0.000 1.007 294 E CA 0.690 57.053 56.400 -0.060 0.000 0.890 294 E CB -0.259 29.416 29.700 -0.041 0.000 0.891 294 E HN 0.907 nan 8.360 nan 0.000 0.496 295 G N 1.023 109.748 108.800 -0.125 0.000 2.645 295 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.246 295 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.246 295 G C -0.186 174.619 174.900 -0.159 0.000 1.322 295 G CA 0.085 45.080 45.100 -0.175 0.000 0.898 295 G HN 0.150 nan 8.290 nan 0.000 0.573 296 T N 0.437 114.885 114.554 -0.176 0.000 2.792 296 T HA 0.541 4.891 4.350 -0.000 0.000 0.280 296 T C -0.256 174.358 174.700 -0.144 0.000 0.990 296 T CA -0.214 61.796 62.100 -0.149 0.000 0.960 296 T CB 1.610 70.386 68.868 -0.153 0.000 0.939 296 T HN 0.879 nan 8.240 nan 0.000 0.439 297 L N 5.618 126.764 121.223 -0.128 0.000 2.265 297 L HA 0.523 4.863 4.340 -0.000 0.000 0.289 297 L C -0.697 176.081 176.870 -0.154 0.000 1.033 297 L CA -0.630 54.131 54.840 -0.131 0.000 0.814 297 L CB 0.349 42.339 42.059 -0.115 0.000 1.203 297 L HN 0.504 nan 8.230 nan 0.000 0.423 298 I N 4.360 124.828 120.570 -0.171 0.000 2.395 298 I HA 0.449 4.619 4.170 -0.000 0.000 0.289 298 I C 0.451 176.309 176.117 -0.432 0.000 1.023 298 I CA 0.016 61.158 61.300 -0.263 0.000 1.350 298 I CB 0.683 38.579 38.000 -0.173 0.000 1.409 298 I HN 0.665 nan 8.210 nan 0.000 0.507 299 T N 4.092 118.246 114.554 -0.667 0.000 2.749 299 T HA 0.309 4.658 4.350 -0.000 0.000 0.310 299 T C 0.448 174.748 174.700 -0.667 0.000 1.496 299 T CA -0.488 61.223 62.100 -0.648 0.000 1.006 299 T CB 1.360 70.076 68.868 -0.253 0.000 1.457 299 T HN 0.679 nan 8.240 nan 0.000 0.497 300 N N 0.636 119.210 118.700 -0.210 0.000 2.097 300 N HA 0.028 4.768 4.740 -0.000 0.000 0.184 300 N C -0.501 175.000 175.510 -0.015 0.000 1.082 300 N CA 0.652 53.736 53.050 0.057 0.000 0.909 300 N CB -0.159 38.433 38.487 0.175 0.000 1.051 300 N HN 0.832 nan 8.380 nan 0.000 0.449 301 D N 1.671 122.074 120.400 0.006 0.000 6.161 301 D HA -0.211 4.429 4.640 -0.000 0.000 0.164 301 D C -0.270 176.015 176.300 -0.026 0.000 1.183 301 D CA 0.809 54.804 54.000 -0.007 0.000 0.754 301 D CB 0.041 40.836 40.800 -0.009 0.000 1.406 301 D HN 0.168 nan 8.370 nan 0.000 0.807 308 I N 0.678 121.248 120.570 -0.001 0.000 3.664 308 I HA 0.521 4.691 4.170 -0.000 0.000 0.251 308 I C -0.765 175.329 176.117 -0.038 0.000 1.134 308 I CA 0.195 61.484 61.300 -0.018 0.000 1.520 308 I CB 1.487 39.478 38.000 -0.014 0.000 1.638 308 I HN 0.069 nan 8.210 nan 0.000 0.431 309 V N 3.601 123.494 119.914 -0.035 0.000 2.383 309 V HA 0.268 4.387 4.120 -0.000 0.000 0.275 309 V C 0.682 176.774 176.094 -0.003 0.000 1.036 309 V CA -0.463 61.809 62.300 -0.047 0.000 0.889 309 V CB 1.292 33.060 31.823 -0.092 0.000 0.985 309 V HN 0.230 nan 8.190 nan 0.000 0.459 310 K N 3.011 123.410 120.400 -0.001 0.000 2.166 310 K HA 0.420 4.739 4.320 -0.000 0.000 0.201 310 K C 0.481 177.104 176.600 0.038 0.000 1.052 310 K CA 0.969 57.264 56.287 0.014 0.000 0.969 310 K CB 0.663 33.166 32.500 0.005 0.000 0.761 310 K HN 0.762 nan 8.250 nan 0.000 0.459 311 A N 0.840 123.688 122.820 0.048 0.000 2.612 311 A HA 0.581 4.901 4.320 -0.000 0.000 0.293 311 A C -1.439 176.198 177.584 0.087 0.000 1.075 311 A CA -0.731 51.355 52.037 0.082 0.000 0.680 311 A CB 1.205 20.250 19.000 0.075 0.000 1.279 311 A HN 0.005 nan 8.150 nan 0.000 0.411 312 I N 1.475 122.117 120.570 0.120 0.000 2.355 312 I HA 0.473 4.643 4.170 -0.000 0.000 0.288 312 I C 0.410 176.576 176.117 0.082 0.000 0.999 312 I CA -0.244 61.117 61.300 0.101 0.000 1.163 312 I CB 0.845 38.925 38.000 0.134 0.000 1.316 312 I HN 0.513 nan 8.210 nan 0.000 0.454 313 S N 4.519 120.253 115.700 0.057 0.000 2.578 313 S HA 0.798 5.268 4.470 -0.000 0.000 0.283 313 S C -0.100 174.463 174.600 -0.062 0.000 1.195 313 S CA -0.271 57.970 58.200 0.068 0.000 1.050 313 S CB 1.050 64.338 63.200 0.146 0.000 1.012 313 S HN 0.756 nan 8.310 nan 0.000 0.511 314 T N 1.183 115.656 114.554 -0.135 0.000 2.916 314 T HA 0.690 5.039 4.350 -0.000 0.000 0.298 314 T C -1.049 173.372 174.700 -0.465 0.000 1.031 314 T CA -0.639 61.315 62.100 -0.244 0.000 0.993 314 T CB 0.822 69.607 68.868 -0.139 0.000 1.045 314 T HN 0.297 nan 8.240 nan 0.000 0.454 315 I N 2.172 122.486 120.570 -0.427 0.000 2.411 315 I HA 0.418 4.587 4.170 -0.000 0.000 0.284 315 I C 0.147 176.136 176.117 -0.214 0.000 1.012 315 I CA -0.605 60.438 61.300 -0.427 0.000 1.119 315 I CB 1.727 39.477 38.000 -0.418 0.000 1.261 315 I HN 0.547 nan 8.210 nan 0.000 0.448 316 K N 4.536 124.845 120.400 -0.152 0.000 2.126 316 K HA 0.384 4.704 4.320 -0.000 0.000 0.257 316 K C 0.040 176.606 176.600 -0.058 0.000 1.007 316 K CA -0.612 55.623 56.287 -0.087 0.000 0.928 316 K CB 0.385 32.849 32.500 -0.060 0.000 1.013 316 K HN 0.498 nan 8.250 nan 0.000 0.473 317 N N 0.102 118.779 118.700 -0.039 0.000 2.650 317 N HA -0.162 4.578 4.740 -0.000 0.000 0.272 317 N C -0.882 174.618 175.510 -0.015 0.000 1.058 317 N CA 0.690 53.727 53.050 -0.022 0.000 0.765 317 N CB -1.498 36.981 38.487 -0.013 0.000 0.902 317 N HN 0.278 nan 8.380 nan 0.000 0.551 318 V N -2.257 117.645 119.914 -0.019 0.000 3.182 318 V HA 1.019 5.139 4.120 -0.000 0.000 0.311 318 V C 0.533 176.626 176.094 -0.002 0.000 1.221 318 V CA -0.749 61.546 62.300 -0.008 0.000 1.060 318 V CB 2.158 33.971 31.823 -0.017 0.000 1.164 318 V HN 0.504 nan 8.190 nan 0.000 0.466 319 A N 0.952 123.775 122.820 0.005 0.000 2.515 319 A HA 0.985 5.304 4.320 -0.000 0.000 0.296 319 A C -1.352 176.238 177.584 0.010 0.000 1.094 319 A CA -0.602 51.439 52.037 0.007 0.000 0.718 319 A CB 1.827 20.832 19.000 0.009 0.000 1.307 319 A HN 1.645 nan 8.150 nan 0.000 0.408 320 L N -1.050 120.179 121.223 0.010 0.000 2.401 320 L HA 0.939 5.279 4.340 -0.000 0.000 0.266 320 L C -1.111 175.765 176.870 0.010 0.000 0.991 320 L CA -0.470 54.377 54.840 0.012 0.000 0.818 320 L CB 1.437 43.506 42.059 0.018 0.000 1.321 320 L HN 0.506 nan 8.230 nan 0.000 0.413 321 I N 1.981 122.556 120.570 0.008 0.000 2.498 321 I HA 0.480 4.650 4.170 -0.000 0.000 0.290 321 I C -0.801 175.322 176.117 0.010 0.000 1.032 321 I CA -0.461 60.842 61.300 0.005 0.000 1.073 321 I CB 2.002 39.998 38.000 -0.007 0.000 1.251 321 I HN 0.741 nan 8.210 nan 0.000 0.426 322 N N 6.435 125.147 118.700 0.020 0.000 2.408 322 N HA 0.458 5.197 4.740 -0.000 0.000 0.280 322 N C -1.041 174.497 175.510 0.046 0.000 1.002 322 N CA -0.460 52.613 53.050 0.038 0.000 0.907 322 N CB 1.147 39.663 38.487 0.050 0.000 1.161 322 N HN 0.375 nan 8.380 nan 0.000 0.488 323 I N 4.295 124.889 120.570 0.040 0.000 2.377 323 I HA 0.227 4.397 4.170 -0.000 0.000 0.282 323 I C -0.311 175.830 176.117 0.041 0.000 1.091 323 I CA -0.591 60.721 61.300 0.020 0.000 1.207 323 I CB -1.086 36.894 38.000 -0.034 0.000 1.429 323 I HN 0.459 nan 8.210 nan 0.000 0.491 324 F N 4.257 124.172 119.950 -0.058 0.000 2.399 324 F HA 0.692 5.219 4.527 -0.001 0.000 0.342 324 F C 0.685 176.437 175.800 -0.080 0.000 1.106 324 F CA 0.315 58.281 58.000 -0.056 0.000 1.196 324 F CB 1.395 40.370 39.000 -0.042 0.000 1.163 324 F HN 0.459 nan 8.300 nan 0.000 0.547 325 G N 3.096 111.529 108.800 -0.612 0.000 2.703 325 G HA2 0.557 4.517 3.960 -0.000 0.000 0.294 325 G HA3 0.557 4.517 3.960 -0.000 0.000 0.294 325 G C -1.890 172.728 174.900 -0.469 0.000 1.451 325 G CA -0.567 44.301 45.100 -0.387 0.000 0.869 325 G HN 0.893 nan 8.290 nan 0.000 0.516 326 A N 0.197 122.871 122.820 -0.243 0.000 2.488 326 A HA 0.610 4.930 4.320 -0.000 0.000 0.249 326 A C 1.683 179.171 177.584 -0.159 0.000 1.083 326 A CA 1.432 53.366 52.037 -0.173 0.000 0.768 326 A CB -0.099 18.857 19.000 -0.073 0.000 1.017 326 A HN 2.782 nan 8.150 nan 0.000 0.496 327 G N 2.406 111.119 108.800 -0.146 0.000 5.260 327 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.276 327 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.276 327 G C 1.015 175.841 174.900 -0.123 0.000 1.357 327 G CA 1.001 46.036 45.100 -0.109 0.000 1.008 327 G HN 2.009 nan 8.290 nan 0.000 0.777 328 M N 0.419 119.944 119.600 -0.125 0.000 2.237 328 M HA -0.213 4.267 4.480 -0.000 0.000 0.198 328 M C 0.816 177.072 176.300 -0.073 0.000 0.321 328 M CA 0.794 56.025 55.300 -0.114 0.000 0.398 328 M CB -1.210 31.291 32.600 -0.165 0.000 1.251 328 M HN 1.476 nan 8.290 nan 0.000 0.921 329 V N -2.203 117.678 119.914 -0.055 0.000 3.264 329 V HA 0.574 4.694 4.120 -0.000 0.000 0.304 329 V C 1.504 177.587 176.094 -0.018 0.000 1.086 329 V CA 0.221 62.500 62.300 -0.035 0.000 1.090 329 V CB 0.985 32.789 31.823 -0.030 0.000 1.112 329 V HN 0.465 nan 8.190 nan 0.000 0.472 330 G N -0.207 108.586 108.800 -0.011 0.000 2.534 330 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.217 330 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.217 330 G C 1.106 176.006 174.900 0.000 0.000 1.128 330 G CA 0.838 45.937 45.100 -0.002 0.000 0.784 330 G HN 0.684 nan 8.290 nan 0.000 0.542 331 V N 1.686 121.598 119.914 -0.003 0.000 2.252 331 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 331 V C 2.159 178.256 176.094 0.005 0.000 1.056 331 V CA 1.742 64.042 62.300 -0.001 0.000 1.022 331 V CB -0.962 30.859 31.823 -0.004 0.000 0.641 331 V HN 0.553 nan 8.190 nan 0.000 0.445 332 S N 0.557 116.260 115.700 0.007 0.000 2.601 332 S HA 0.424 4.894 4.470 -0.000 0.000 0.271 332 S C 0.785 175.402 174.600 0.028 0.000 1.305 332 S CA -0.059 58.151 58.200 0.017 0.000 1.022 332 S CB 1.386 64.596 63.200 0.016 0.000 0.940 332 S HN 0.486 nan 8.310 nan 0.000 0.525 333 G N 0.674 109.499 108.800 0.040 0.000 3.471 333 G HA2 0.201 4.161 3.960 -0.000 0.000 0.254 333 G HA3 0.201 4.161 3.960 -0.000 0.000 0.254 333 G C 0.824 175.777 174.900 0.088 0.000 1.199 333 G CA 0.171 45.304 45.100 0.054 0.000 1.683 333 G HN 0.871 nan 8.290 nan 0.000 0.625 334 T N 0.218 114.821 114.554 0.083 0.000 2.777 334 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 334 T C 2.700 177.494 174.700 0.156 0.000 1.040 334 T CA 2.051 64.218 62.100 0.111 0.000 1.141 334 T CB -0.121 68.763 68.868 0.028 0.000 0.868 334 T HN 0.350 nan 8.240 nan 0.000 0.444 335 A N 1.049 123.949 122.820 0.133 0.000 1.930 335 A HA 0.301 4.621 4.320 -0.000 0.000 0.217 335 A C 2.772 180.528 177.584 0.287 0.000 1.175 335 A CA 1.912 54.072 52.037 0.206 0.000 0.627 335 A CB -1.337 17.755 19.000 0.155 0.000 0.815 335 A HN 0.699 nan 8.150 nan 0.000 0.443 336 A N -0.017 122.913 122.820 0.182 0.000 1.883 336 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 336 A C 2.248 179.943 177.584 0.185 0.000 1.186 336 A CA 1.700 53.833 52.037 0.159 0.000 0.624 336 A CB -0.480 18.571 19.000 0.084 0.000 0.822 336 A HN 0.551 nan 8.150 nan 0.000 0.444 337 R N -0.495 120.108 120.500 0.170 0.000 2.148 337 R HA -0.025 4.315 4.340 -0.000 0.000 0.227 337 R C 1.910 178.281 176.300 0.118 0.000 1.103 337 R CA 1.123 57.288 56.100 0.108 0.000 0.983 337 R CB -0.337 30.020 30.300 0.096 0.000 0.874 337 R HN 0.523 nan 8.270 nan 0.000 0.451 338 I N -0.079 120.637 120.570 0.244 0.000 2.163 338 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 338 I C 1.832 177.904 176.117 -0.075 0.000 1.085 338 I CA 1.800 63.170 61.300 0.116 0.000 1.347 338 I CB -0.893 37.113 38.000 0.009 0.000 1.044 338 I HN 0.068 nan 8.210 nan 0.000 0.408 339 F N 0.991 120.971 119.950 0.051 0.000 2.335 339 F HA 0.014 4.540 4.527 -0.000 0.000 0.296 339 F C 2.588 178.388 175.800 0.001 0.000 1.091 339 F CA 0.785 58.798 58.000 0.022 0.000 1.399 339 F CB -0.335 38.675 39.000 0.016 0.000 1.067 339 F HN -0.053 nan 8.300 nan 0.000 0.520 340 K N 0.837 121.332 120.400 0.158 0.000 2.009 340 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 340 K C 2.308 178.912 176.600 0.008 0.000 1.049 340 K CA 1.357 57.682 56.287 0.063 0.000 0.929 340 K CB -0.370 32.147 32.500 0.029 0.000 0.714 340 K HN 0.206 nan 8.250 nan 0.000 0.440 341 A N 1.160 123.960 122.820 -0.034 0.000 1.917 341 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 341 A C 2.061 179.617 177.584 -0.047 0.000 1.182 341 A CA 1.643 53.636 52.037 -0.074 0.000 0.633 341 A CB -0.590 18.334 19.000 -0.126 0.000 0.819 341 A HN 0.351 nan 8.150 nan 0.000 0.448 342 L N -1.077 120.121 121.223 -0.042 0.000 2.418 342 L HA 0.100 4.440 4.340 -0.000 0.000 0.218 342 L C 2.636 179.505 176.870 -0.002 0.000 1.125 342 L CA 0.440 55.256 54.840 -0.039 0.000 0.835 342 L CB -0.523 41.482 42.059 -0.091 0.000 0.953 342 L HN 0.436 nan 8.230 nan 0.000 0.454 343 G N 0.275 109.089 108.800 0.024 0.000 2.453 343 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.215 343 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.215 343 G C 0.547 175.451 174.900 0.006 0.000 1.201 343 G CA 0.052 45.169 45.100 0.029 0.000 0.784 343 G HN 0.370 nan 8.290 nan 0.000 0.545 344 E N 0.455 120.654 120.200 -0.002 0.000 2.415 344 E HA 0.237 4.587 4.350 -0.000 0.000 0.262 344 E C 0.340 176.934 176.600 -0.010 0.000 1.038 344 E CA 0.054 56.449 56.400 -0.009 0.000 0.921 344 E CB 0.455 30.145 29.700 -0.017 0.000 0.950 344 E HN 0.229 nan 8.360 nan 0.000 0.438 345 E N 1.142 121.338 120.200 -0.006 0.000 3.673 345 E HA -0.259 4.090 4.350 -0.000 0.000 0.309 345 E C -0.830 175.770 176.600 -0.000 0.000 0.819 345 E CA 1.164 57.562 56.400 -0.003 0.000 1.111 345 E CB -1.730 27.966 29.700 -0.008 0.000 1.561 345 E HN 0.820 nan 8.360 nan 0.000 0.450 346 E N -0.706 119.493 120.200 -0.002 0.000 2.359 346 E HA -0.201 4.148 4.350 -0.000 0.000 0.157 346 E C -0.629 175.966 176.600 -0.008 0.000 1.718 346 E CA 0.907 57.303 56.400 -0.006 0.000 0.620 346 E CB -0.744 28.955 29.700 -0.001 0.000 1.057 346 E HN 0.080 nan 8.360 nan 0.000 0.322 347 V N 2.755 122.661 119.914 -0.013 0.000 2.384 347 V HA 0.201 4.321 4.120 -0.000 0.000 0.287 347 V C 0.565 176.645 176.094 -0.023 0.000 1.020 347 V CA -0.768 61.526 62.300 -0.011 0.000 0.850 347 V CB 1.731 33.547 31.823 -0.012 0.000 0.987 347 V HN 0.463 nan 8.190 nan 0.000 0.436 348 N N 3.482 122.162 118.700 -0.033 0.000 2.430 348 N HA 0.276 5.015 4.740 -0.000 0.000 0.265 348 N C -0.416 175.097 175.510 0.006 0.000 1.100 348 N CA -0.385 52.627 53.050 -0.064 0.000 0.961 348 N CB 1.746 40.137 38.487 -0.160 0.000 1.075 348 N HN 0.629 nan 8.380 nan 0.000 0.478 349 V N 3.686 123.619 119.914 0.031 0.000 2.385 349 V HA 0.232 4.351 4.120 -0.000 0.000 0.269 349 V C 1.571 177.714 176.094 0.082 0.000 1.043 349 V CA -0.637 61.707 62.300 0.073 0.000 0.906 349 V CB 0.700 32.615 31.823 0.153 0.000 0.995 349 V HN 0.538 nan 8.190 nan 0.000 0.467 350 I N 3.675 124.294 120.570 0.081 0.000 2.277 350 I HA 0.178 4.348 4.170 -0.000 0.000 0.243 350 I C 0.503 176.670 176.117 0.083 0.000 1.094 350 I CA 1.264 62.618 61.300 0.089 0.000 1.393 350 I CB -0.362 37.683 38.000 0.076 0.000 1.078 350 I HN 0.472 nan 8.210 nan 0.000 0.417 351 L N 0.216 121.486 121.223 0.079 0.000 2.422 351 L HA 0.530 4.870 4.340 -0.000 0.000 0.264 351 L C -0.616 176.315 176.870 0.103 0.000 0.984 351 L CA -0.121 54.768 54.840 0.083 0.000 0.819 351 L CB 2.641 44.740 42.059 0.066 0.000 1.330 351 L HN -0.094 nan 8.230 nan 0.000 0.410 352 I N 0.984 121.623 120.570 0.114 0.000 2.646 352 I HA 0.725 4.895 4.170 -0.000 0.000 0.299 352 I C -0.499 175.679 176.117 0.103 0.000 1.036 352 I CA -0.325 61.060 61.300 0.142 0.000 1.074 352 I CB 2.206 40.329 38.000 0.205 0.000 1.258 352 I HN 0.438 nan 8.210 nan 0.000 0.430 353 S N 4.147 119.906 115.700 0.097 0.000 2.543 353 S HA 0.447 4.917 4.470 -0.000 0.000 0.271 353 S C -1.251 173.389 174.600 0.066 0.000 1.148 353 S CA -0.714 57.530 58.200 0.072 0.000 0.914 353 S CB 2.183 65.419 63.200 0.060 0.000 1.096 353 S HN 0.603 nan 8.310 nan 0.000 0.471 354 Q N 1.566 121.397 119.800 0.051 0.000 2.263 354 Q HA 0.531 4.870 4.340 -0.000 0.000 0.262 354 Q C -0.224 175.791 176.000 0.026 0.000 0.984 354 Q CA -0.547 55.280 55.803 0.040 0.000 0.813 354 Q CB 1.694 30.458 28.738 0.044 0.000 1.299 354 Q HN 0.874 nan 8.270 nan 0.000 0.428 355 G N 0.691 109.502 108.800 0.019 0.000 2.621 355 G HA2 0.166 4.125 3.960 -0.000 0.000 0.271 355 G HA3 0.166 4.125 3.960 -0.000 0.000 0.271 355 G C 0.938 175.841 174.900 0.006 0.000 1.236 355 G CA 0.187 45.294 45.100 0.012 0.000 0.958 355 G HN 0.733 nan 8.290 nan 0.000 0.512 356 S N -1.138 114.564 115.700 0.004 0.000 2.447 356 S HA -0.174 4.296 4.470 -0.000 0.000 0.233 356 S C 2.336 176.932 174.600 -0.006 0.000 1.006 356 S CA 1.598 59.797 58.200 -0.000 0.000 0.957 356 S CB -0.473 62.727 63.200 0.001 0.000 0.773 356 S HN 0.929 nan 8.310 nan 0.000 0.507 357 S N 2.545 118.241 115.700 -0.007 0.000 2.423 357 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 357 S C 1.206 175.785 174.600 -0.035 0.000 1.014 357 S CA 0.968 59.158 58.200 -0.017 0.000 0.965 357 S CB -1.039 62.155 63.200 -0.010 0.000 0.785 357 S HN 0.891 nan 8.310 nan 0.000 0.495 358 E N 0.267 120.449 120.200 -0.030 0.000 2.885 358 E HA -0.339 4.011 4.350 -0.000 0.000 0.267 358 E C 0.894 177.443 176.600 -0.085 0.000 1.100 358 E CA 1.353 57.729 56.400 -0.040 0.000 0.779 358 E CB -2.864 26.820 29.700 -0.027 0.000 1.383 358 E HN 0.856 nan 8.360 nan 0.000 0.443 359 T N -1.559 112.921 114.554 -0.123 0.000 3.055 359 T HA -0.062 4.287 4.350 -0.000 0.000 0.265 359 T C 0.603 175.117 174.700 -0.310 0.000 1.111 359 T CA 0.908 62.853 62.100 -0.259 0.000 1.118 359 T CB -0.305 68.370 68.868 -0.322 0.000 0.909 359 T HN 0.493 nan 8.240 nan 0.000 0.501 360 N N 0.194 118.811 118.700 -0.137 0.000 2.284 360 N HA 0.575 5.315 4.740 -0.000 0.000 0.289 360 N C -1.726 173.780 175.510 -0.005 0.000 1.179 360 N CA -1.337 51.679 53.050 -0.056 0.000 0.774 360 N CB 1.689 40.219 38.487 0.073 0.000 1.548 360 N HN 0.331 nan 8.380 nan 0.000 0.473 361 I N -0.440 120.138 120.570 0.012 0.000 2.689 361 I HA 0.584 4.753 4.170 -0.000 0.000 0.299 361 I C -1.127 175.015 176.117 0.041 0.000 1.059 361 I CA -0.509 60.815 61.300 0.040 0.000 1.055 361 I CB 1.868 39.908 38.000 0.066 0.000 1.243 361 I HN 0.574 nan 8.210 nan 0.000 0.425 362 S N 7.534 123.266 115.700 0.053 0.000 2.659 362 S HA 0.618 5.087 4.470 -0.000 0.000 0.312 362 S C -0.732 173.899 174.600 0.051 0.000 1.114 362 S CA -0.620 57.607 58.200 0.045 0.000 1.063 362 S CB 1.058 64.286 63.200 0.046 0.000 0.996 362 S HN 0.464 nan 8.310 nan 0.000 0.478 363 L N 1.117 122.357 121.223 0.029 0.000 2.319 363 L HA 0.931 5.270 4.340 -0.000 0.000 0.267 363 L C -0.741 176.144 176.870 0.026 0.000 1.011 363 L CA -1.260 53.600 54.840 0.032 0.000 0.818 363 L CB 1.134 43.186 42.059 -0.012 0.000 1.316 363 L HN 0.231 nan 8.230 nan 0.000 0.432 364 V N 1.907 121.843 119.914 0.036 0.000 2.540 364 V HA 0.710 4.830 4.120 -0.000 0.000 0.302 364 V C -0.157 175.956 176.094 0.033 0.000 1.035 364 V CA -0.440 61.878 62.300 0.029 0.000 0.873 364 V CB 2.176 34.017 31.823 0.029 0.000 0.992 364 V HN 0.678 nan 8.190 nan 0.000 0.428 365 V N 1.666 121.596 119.914 0.027 0.000 3.102 365 V HA 0.707 4.826 4.120 -0.000 0.000 0.312 365 V C -0.011 176.106 176.094 0.039 0.000 1.135 365 V CA -0.858 61.463 62.300 0.035 0.000 1.022 365 V CB 2.016 33.852 31.823 0.022 0.000 1.056 365 V HN 0.684 nan 8.190 nan 0.000 0.436 366 S N 1.566 117.301 115.700 0.058 0.000 2.546 366 S HA 0.056 4.526 4.470 -0.000 0.000 0.290 366 S C 1.270 175.892 174.600 0.037 0.000 1.290 366 S CA 0.606 58.839 58.200 0.056 0.000 1.069 366 S CB 0.585 63.837 63.200 0.086 0.000 0.846 366 S HN 1.128 nan 8.310 nan 0.000 0.495 367 E N 1.884 122.100 120.200 0.025 0.000 2.267 367 E HA -0.244 4.105 4.350 -0.000 0.000 0.197 367 E C 0.392 177.003 176.600 0.020 0.000 0.998 367 E CA 1.511 57.922 56.400 0.018 0.000 0.830 367 E CB -0.279 29.428 29.700 0.011 0.000 0.751 367 E HN 0.790 nan 8.360 nan 0.000 0.491 368 E N 0.685 120.901 120.200 0.027 0.000 2.304 368 E HA 0.121 4.471 4.350 -0.000 0.000 0.212 368 E C -0.265 176.353 176.600 0.031 0.000 1.185 368 E CA 0.065 56.481 56.400 0.027 0.000 1.326 368 E CB 0.379 30.097 29.700 0.029 0.000 1.283 368 E HN 0.208 nan 8.360 nan 0.000 0.440 369 D N -0.498 119.919 120.400 0.027 0.000 2.497 369 D HA -0.026 4.614 4.640 -0.000 0.000 0.256 369 D C 1.749 178.058 176.300 0.015 0.000 1.273 369 D CA 0.480 54.494 54.000 0.025 0.000 0.812 369 D CB 0.747 41.566 40.800 0.032 0.000 1.190 369 D HN 0.197 nan 8.370 nan 0.000 0.524 370 V N 1.298 121.220 119.914 0.013 0.000 2.231 370 V HA -0.296 3.824 4.120 -0.000 0.000 0.250 370 V C 1.996 178.095 176.094 0.007 0.000 1.058 370 V CA 2.444 64.750 62.300 0.009 0.000 1.022 370 V CB -0.963 30.866 31.823 0.008 0.000 0.640 370 V HN 0.052 nan 8.190 nan 0.000 0.445 371 D N 0.720 121.125 120.400 0.009 0.000 2.149 371 D HA -0.218 4.422 4.640 -0.000 0.000 0.201 371 D C 2.000 178.304 176.300 0.007 0.000 0.972 371 D CA 1.639 55.644 54.000 0.008 0.000 0.835 371 D CB -0.446 40.358 40.800 0.008 0.000 0.966 371 D HN 0.527 nan 8.370 nan 0.000 0.476 372 K N 0.396 120.801 120.400 0.008 0.000 2.442 372 K HA 0.070 4.389 4.320 -0.000 0.000 0.198 372 K C 1.731 178.332 176.600 0.001 0.000 1.042 372 K CA 0.974 57.265 56.287 0.007 0.000 0.958 372 K CB -0.088 32.419 32.500 0.012 0.000 0.766 372 K HN 0.210 nan 8.250 nan 0.000 0.474 373 A N -0.590 122.230 122.820 -0.000 0.000 2.035 373 A HA 0.171 4.491 4.320 -0.000 0.000 0.208 373 A C 1.811 179.394 177.584 -0.001 0.000 1.206 373 A CA -0.009 52.024 52.037 -0.008 0.000 0.773 373 A CB -0.197 18.795 19.000 -0.014 0.000 0.878 373 A HN 0.220 nan 8.150 nan 0.000 0.469 374 L N -0.377 120.849 121.223 0.006 0.000 1.994 374 L HA -0.157 4.182 4.340 -0.000 0.000 0.208 374 L C 2.546 179.428 176.870 0.020 0.000 1.071 374 L CA 1.921 56.770 54.840 0.015 0.000 0.745 374 L CB -0.210 41.857 42.059 0.013 0.000 0.892 374 L HN 0.289 nan 8.230 nan 0.000 0.431 375 K N -0.133 120.275 120.400 0.012 0.000 2.032 375 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 375 K C 1.964 178.567 176.600 0.004 0.000 1.048 375 K CA 1.567 57.861 56.287 0.010 0.000 0.927 375 K CB -0.383 32.120 32.500 0.005 0.000 0.712 375 K HN 0.313 nan 8.250 nan 0.000 0.441 376 A N 0.044 122.862 122.820 -0.005 0.000 2.019 376 A HA -0.110 4.209 4.320 -0.000 0.000 0.219 376 A C 2.061 179.625 177.584 -0.033 0.000 1.164 376 A CA 1.281 53.305 52.037 -0.023 0.000 0.644 376 A CB -0.502 18.483 19.000 -0.026 0.000 0.805 376 A HN 0.311 nan 8.150 nan 0.000 0.449 377 L N -0.481 120.746 121.223 0.007 0.000 2.044 377 L HA -0.027 4.313 4.340 -0.000 0.000 0.205 377 L C 2.345 179.287 176.870 0.120 0.000 1.075 377 L CA 2.267 57.146 54.840 0.065 0.000 0.747 377 L CB -0.339 41.788 42.059 0.113 0.000 0.903 377 L HN 0.399 nan 8.230 nan 0.000 0.435 378 K N -0.841 119.619 120.400 0.101 0.000 2.148 378 K HA -0.182 4.137 4.320 -0.000 0.000 0.204 378 K C 2.298 178.924 176.600 0.044 0.000 1.050 378 K CA 0.975 57.328 56.287 0.109 0.000 0.942 378 K CB -0.052 32.492 32.500 0.072 0.000 0.724 378 K HN 0.143 nan 8.250 nan 0.000 0.446 379 R N 0.219 120.715 120.500 -0.006 0.000 2.237 379 R HA -0.124 4.216 4.340 -0.000 0.000 0.219 379 R C 1.594 177.830 176.300 -0.107 0.000 1.080 379 R CA 1.258 57.334 56.100 -0.040 0.000 0.995 379 R CB 0.157 30.435 30.300 -0.037 0.000 0.875 379 R HN 0.134 nan 8.270 nan 0.000 0.462 380 E N -0.772 119.304 120.200 -0.206 0.000 2.166 380 E HA 0.048 4.398 4.350 -0.000 0.000 0.192 380 E C -0.391 175.876 176.600 -0.555 0.000 0.967 380 E CA 0.802 56.928 56.400 -0.457 0.000 0.840 380 E CB 0.173 29.442 29.700 -0.718 0.000 0.795 380 E HN 0.110 nan 8.360 nan 0.000 0.470 391 N N 1.448 120.154 118.700 0.010 0.000 2.690 391 N HA 0.499 5.238 4.740 -0.000 0.000 0.255 391 N C -0.529 174.987 175.510 0.010 0.000 1.195 391 N CA 0.126 53.181 53.050 0.008 0.000 0.790 391 N CB 0.534 39.025 38.487 0.007 0.000 1.216 391 N HN 0.687 nan 8.380 nan 0.000 0.528 392 N N 0.140 118.847 118.700 0.012 0.000 2.591 392 N HA 0.158 4.898 4.740 -0.000 0.000 0.275 392 N C 0.791 176.314 175.510 0.022 0.000 0.863 392 N CA 0.678 53.738 53.050 0.017 0.000 1.019 392 N CB -0.436 38.062 38.487 0.018 0.000 1.674 392 N HN 0.631 nan 8.380 nan 0.000 1.001 393 N N -0.110 118.601 118.700 0.019 0.000 2.929 393 N HA 0.749 5.489 4.740 -0.000 0.000 0.301 393 N C 1.001 176.507 175.510 -0.007 0.000 1.344 393 N CA 0.975 54.039 53.050 0.023 0.000 0.726 393 N CB -0.073 38.432 38.487 0.030 0.000 1.192 393 N HN 1.088 nan 8.380 nan 0.000 0.444 394 L N -3.981 117.209 121.223 -0.055 0.000 4.117 394 L HA 0.524 4.864 4.340 -0.000 0.000 0.403 394 L C -0.996 175.760 176.870 -0.190 0.000 1.051 394 L CA -0.314 54.466 54.840 -0.100 0.000 1.521 394 L CB 0.393 42.404 42.059 -0.078 0.000 1.894 394 L HN 0.280 nan 8.230 nan 0.000 0.632 395 I N 1.962 122.370 120.570 -0.270 0.000 2.321 395 I HA 0.381 4.551 4.170 -0.000 0.000 0.291 395 I C 1.048 177.092 176.117 -0.122 0.000 0.998 395 I CA 0.110 61.229 61.300 -0.301 0.000 1.227 395 I CB 1.389 39.044 38.000 -0.576 0.000 1.368 395 I HN 0.349 nan 8.210 nan 0.000 0.466 396 R N 3.321 123.803 120.500 -0.030 0.000 2.074 396 R HA 0.109 4.449 4.340 -0.000 0.000 0.218 396 R C -0.243 176.109 176.300 0.087 0.000 1.137 396 R CA 0.722 56.864 56.100 0.070 0.000 0.998 396 R CB 0.552 30.965 30.300 0.188 0.000 0.895 396 R HN 0.600 nan 8.270 nan 0.000 0.442 397 D N -0.370 120.114 120.400 0.140 0.000 2.477 397 D HA 0.296 4.936 4.640 -0.000 0.000 0.234 397 D C -1.206 175.132 176.300 0.063 0.000 1.048 397 D CA -0.425 53.628 54.000 0.088 0.000 0.959 397 D CB 2.588 43.425 40.800 0.062 0.000 1.408 397 D HN 0.034 nan 8.370 nan 0.000 0.496 398 V N -0.935 118.998 119.914 0.032 0.000 2.658 398 V HA 0.370 4.490 4.120 -0.000 0.000 0.259 398 V C 0.124 176.224 176.094 0.011 0.000 0.933 398 V CA -0.877 61.438 62.300 0.024 0.000 0.871 398 V CB 0.814 32.649 31.823 0.021 0.000 1.062 398 V HN 0.419 nan 8.190 nan 0.000 0.479 399 S N 2.257 117.963 115.700 0.010 0.000 2.608 399 S HA 0.770 5.239 4.470 -0.000 0.000 0.261 399 S C -0.346 174.255 174.600 0.003 0.000 1.314 399 S CA 0.232 58.431 58.200 -0.003 0.000 0.992 399 S CB 1.727 64.921 63.200 -0.010 0.000 0.935 399 S HN 1.841 nan 8.310 nan 0.000 0.564 400 V N 2.767 122.681 119.914 -0.001 0.000 2.903 400 V HA 0.422 4.542 4.120 -0.000 0.000 0.289 400 V C -1.831 174.263 176.094 0.001 0.000 1.355 400 V CA -0.681 61.620 62.300 0.002 0.000 0.953 400 V CB 2.064 33.889 31.823 0.002 0.000 1.102 400 V HN 1.029 nan 8.190 nan 0.000 0.435 401 D N 4.311 124.713 120.400 0.003 0.000 2.340 401 D HA 0.583 5.222 4.640 -0.000 0.000 0.243 401 D C -0.249 176.053 176.300 0.004 0.000 0.988 401 D CA -0.336 53.666 54.000 0.003 0.000 0.959 401 D CB 2.337 43.140 40.800 0.005 0.000 1.226 401 D HN 0.795 nan 8.370 nan 0.000 0.509 402 K N -0.541 119.861 120.400 0.003 0.000 2.684 402 K HA 0.219 4.539 4.320 -0.000 0.000 0.189 402 K C -0.596 176.005 176.600 0.001 0.000 1.154 402 K CA -0.307 55.982 56.287 0.003 0.000 1.109 402 K CB 0.426 32.928 32.500 0.003 0.000 0.826 402 K HN 0.056 nan 8.250 nan 0.000 0.501 403 D N 1.816 122.217 120.400 0.001 0.000 2.891 403 D HA 0.116 4.755 4.640 -0.000 0.000 0.332 403 D C -0.724 175.577 176.300 0.001 0.000 1.369 403 D CA -0.358 53.642 54.000 0.001 0.000 0.827 403 D CB 1.096 41.897 40.800 0.002 0.000 1.141 403 D HN 0.227 nan 8.370 nan 0.000 0.464 404 V N -1.799 118.113 119.914 -0.003 0.000 3.141 404 V HA 0.803 4.923 4.120 -0.000 0.000 0.312 404 V C 0.025 176.106 176.094 -0.021 0.000 1.157 404 V CA -1.116 61.181 62.300 -0.005 0.000 1.041 404 V CB 1.222 33.047 31.823 0.003 0.000 1.071 404 V HN 0.331 nan 8.190 nan 0.000 0.441 405 C N -0.261 119.018 119.300 -0.034 0.000 3.171 405 C HA 0.942 5.402 4.460 -0.000 0.000 0.308 405 C C -0.495 174.432 174.990 -0.105 0.000 1.334 405 C CA -0.707 58.268 59.018 -0.071 0.000 1.473 405 C CB 0.937 28.630 27.740 -0.079 0.000 1.866 405 C HN 0.959 nan 8.230 nan 0.000 0.465 406 V N 1.851 121.672 119.914 -0.154 0.000 2.435 406 V HA 0.569 4.689 4.120 -0.000 0.000 0.290 406 V C -0.411 175.493 176.094 -0.317 0.000 1.030 406 V CA -0.105 62.069 62.300 -0.210 0.000 0.881 406 V CB 1.216 32.942 31.823 -0.161 0.000 0.983 406 V HN 0.735 nan 8.190 nan 0.000 0.445 407 I N 4.079 124.325 120.570 -0.539 0.000 2.406 407 I HA 0.543 4.713 4.170 -0.000 0.000 0.290 407 I C 0.054 175.808 176.117 -0.604 0.000 0.999 407 I CA 0.213 61.133 61.300 -0.634 0.000 1.124 407 I CB 2.247 39.743 38.000 -0.841 0.000 1.289 407 I HN 0.714 nan 8.210 nan 0.000 0.441 408 S N 5.148 120.700 115.700 -0.247 0.000 2.605 408 S HA 0.704 5.173 4.470 -0.000 0.000 0.308 408 S C -0.722 173.886 174.600 0.014 0.000 1.113 408 S CA -0.814 57.347 58.200 -0.065 0.000 1.049 408 S CB 1.405 64.597 63.200 -0.013 0.000 1.001 408 S HN 0.210 nan 8.310 nan 0.000 0.480 409 V N 3.676 123.632 119.914 0.070 0.000 2.364 409 V HA 0.431 4.551 4.120 -0.000 0.000 0.272 409 V C -0.206 175.895 176.094 0.012 0.000 1.036 409 V CA -0.481 61.845 62.300 0.043 0.000 0.880 409 V CB 1.133 32.964 31.823 0.012 0.000 0.991 409 V HN 0.821 nan 8.190 nan 0.000 0.460 410 V N 3.900 123.823 119.914 0.015 0.000 2.513 410 V HA 0.978 5.098 4.120 -0.000 0.000 0.299 410 V C 0.454 176.544 176.094 -0.007 0.000 1.035 410 V CA -0.103 62.204 62.300 0.010 0.000 0.889 410 V CB 1.791 33.632 31.823 0.030 0.000 0.988 410 V HN 1.048 nan 8.190 nan 0.000 0.440 411 G N 2.068 110.859 108.800 -0.015 0.000 2.657 411 G HA2 0.546 4.506 3.960 -0.000 0.000 0.303 411 G HA3 0.546 4.506 3.960 -0.000 0.000 0.303 411 G C 0.167 175.056 174.900 -0.018 0.000 1.457 411 G CA 0.202 45.290 45.100 -0.021 0.000 0.982 411 G HN 0.923 nan 8.290 nan 0.000 0.583 412 A N 1.044 123.857 122.820 -0.011 0.000 1.930 412 A HA 0.263 4.582 4.320 -0.000 0.000 0.217 412 A C 2.449 180.026 177.584 -0.011 0.000 1.175 412 A CA 2.442 54.475 52.037 -0.007 0.000 0.627 412 A CB -0.488 18.510 19.000 -0.003 0.000 0.815 412 A HN 1.714 nan 8.150 nan 0.000 0.443 413 G N -1.155 107.635 108.800 -0.016 0.000 2.882 413 G HA2 0.055 4.014 3.960 -0.000 0.000 0.206 413 G HA3 0.055 4.014 3.960 -0.000 0.000 0.206 413 G C 1.265 176.148 174.900 -0.028 0.000 1.155 413 G CA 0.536 45.625 45.100 -0.018 0.000 0.800 413 G HN 0.475 nan 8.290 nan 0.000 0.524 414 M N -0.479 119.099 119.600 -0.037 0.000 2.288 414 M HA 0.097 4.576 4.480 -0.000 0.000 0.266 414 M C 1.588 177.866 176.300 -0.036 0.000 1.072 414 M CA 0.216 55.484 55.300 -0.052 0.000 1.132 414 M CB 0.032 32.592 32.600 -0.068 0.000 1.386 414 M HN 0.045 nan 8.290 nan 0.000 0.432 415 R N 1.064 121.551 120.500 -0.021 0.000 2.538 415 R HA 0.032 4.371 4.340 -0.000 0.000 0.282 415 R C 0.812 177.106 176.300 -0.011 0.000 1.009 415 R CA 1.049 57.142 56.100 -0.011 0.000 1.063 415 R CB 0.040 30.338 30.300 -0.003 0.000 0.945 415 R HN 0.549 nan 8.270 nan 0.000 0.414 416 G N 2.337 111.132 108.800 -0.009 0.000 2.175 416 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.265 416 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.265 416 G C 0.125 175.019 174.900 -0.010 0.000 0.979 416 G CA 0.450 45.546 45.100 -0.006 0.000 0.663 416 G HN 0.846 nan 8.290 nan 0.000 0.533 417 A N 0.655 123.465 122.820 -0.018 0.000 2.923 417 A HA 0.574 4.894 4.320 -0.000 0.000 0.306 417 A C 0.829 178.399 177.584 -0.024 0.000 1.542 417 A CA -0.075 51.949 52.037 -0.022 0.000 1.225 417 A CB 0.024 19.004 19.000 -0.033 0.000 1.147 417 A HN 0.447 nan 8.150 nan 0.000 0.542 418 K N 0.670 121.062 120.400 -0.013 0.000 2.491 418 K HA 0.239 4.558 4.320 -0.000 0.000 0.279 418 K C 1.258 177.852 176.600 -0.010 0.000 1.026 418 K CA 1.190 57.472 56.287 -0.009 0.000 1.070 418 K CB 0.248 32.747 32.500 -0.001 0.000 0.887 418 K HN 1.178 nan 8.250 nan 0.000 0.481 419 G N 2.566 111.359 108.800 -0.012 0.000 2.213 419 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.226 419 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.226 419 G C 0.703 175.586 174.900 -0.028 0.000 0.992 419 G CA 0.155 45.251 45.100 -0.007 0.000 0.632 419 G HN 0.594 nan 8.290 nan 0.000 0.511 420 I N 1.864 122.393 120.570 -0.067 0.000 2.252 420 I HA 0.298 4.468 4.170 -0.000 0.000 0.245 420 I C 2.877 178.857 176.117 -0.227 0.000 1.102 420 I CA 2.576 63.787 61.300 -0.147 0.000 1.385 420 I CB -0.407 37.483 38.000 -0.184 0.000 1.064 420 I HN 0.473 nan 8.210 nan 0.000 0.414 421 A N 0.113 122.820 122.820 -0.188 0.000 1.902 421 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 421 A C 2.427 179.898 177.584 -0.188 0.000 1.181 421 A CA 1.600 53.474 52.037 -0.271 0.000 0.623 421 A CB -1.693 17.260 19.000 -0.078 0.000 0.818 421 A HN 0.489 nan 8.150 nan 0.000 0.443 422 G N -0.334 108.450 108.800 -0.028 0.000 2.421 422 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 422 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 422 G C 1.681 176.599 174.900 0.031 0.000 1.171 422 G CA 1.091 46.218 45.100 0.045 0.000 0.775 422 G HN 0.559 nan 8.290 nan 0.000 0.543 423 K N -0.261 120.149 120.400 0.016 0.000 2.097 423 K HA -0.032 4.288 4.320 -0.000 0.000 0.206 423 K C 2.628 179.334 176.600 0.178 0.000 1.049 423 K CA 1.105 57.465 56.287 0.121 0.000 0.933 423 K CB -0.255 32.369 32.500 0.207 0.000 0.717 423 K HN 0.288 nan 8.250 nan 0.000 0.442 424 I N 0.389 120.906 120.570 -0.089 0.000 2.163 424 I HA -0.164 4.006 4.170 -0.000 0.000 0.240 424 I C 2.014 178.012 176.117 -0.199 0.000 1.081 424 I CA 1.363 62.530 61.300 -0.221 0.000 1.353 424 I CB -0.821 36.781 38.000 -0.663 0.000 1.054 424 I HN 0.183 nan 8.210 nan 0.000 0.407 425 F N 0.459 120.344 119.950 -0.108 0.000 2.407 425 F HA -0.133 4.394 4.527 -0.000 0.000 0.299 425 F C 2.527 178.284 175.800 -0.072 0.000 1.097 425 F CA 1.234 59.133 58.000 -0.169 0.000 1.422 425 F CB -0.728 38.157 39.000 -0.191 0.000 1.067 425 F HN 0.104 nan 8.300 nan 0.000 0.539 426 T N -0.134 114.498 114.554 0.131 0.000 2.777 426 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 426 T C 2.316 177.064 174.700 0.080 0.000 1.040 426 T CA 1.102 63.256 62.100 0.091 0.000 1.141 426 T CB -0.433 68.479 68.868 0.073 0.000 0.868 426 T HN 0.310 nan 8.240 nan 0.000 0.444 427 A N 1.261 124.140 122.820 0.098 0.000 1.877 427 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 427 A C 2.581 180.223 177.584 0.097 0.000 1.186 427 A CA 1.462 53.553 52.037 0.090 0.000 0.620 427 A CB -1.146 17.942 19.000 0.147 0.000 0.822 427 A HN 0.331 nan 8.150 nan 0.000 0.443 428 V N -0.196 119.788 119.914 0.116 0.000 2.252 428 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 428 V C 2.834 178.988 176.094 0.099 0.000 1.056 428 V CA 2.498 64.877 62.300 0.131 0.000 1.022 428 V CB -1.048 30.843 31.823 0.114 0.000 0.641 428 V HN 0.688 nan 8.190 nan 0.000 0.445 429 S N -0.713 115.035 115.700 0.080 0.000 2.370 429 S HA -0.277 4.192 4.470 -0.000 0.000 0.226 429 S C 1.963 176.591 174.600 0.047 0.000 1.033 429 S CA 2.166 60.400 58.200 0.056 0.000 1.011 429 S CB -0.312 62.916 63.200 0.047 0.000 0.852 429 S HN 0.737 nan 8.310 nan 0.000 0.457 430 E N 0.467 120.694 120.200 0.046 0.000 2.152 430 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 430 E C 2.316 178.936 176.600 0.033 0.000 0.983 430 E CA 1.114 57.533 56.400 0.032 0.000 0.818 430 E CB -0.150 29.564 29.700 0.023 0.000 0.758 430 E HN 0.749 nan 8.360 nan 0.000 0.467 431 S N -0.430 115.299 115.700 0.047 0.000 2.447 431 S HA -0.019 4.451 4.470 -0.000 0.000 0.233 431 S C 1.496 176.122 174.600 0.043 0.000 1.006 431 S CA 0.792 59.020 58.200 0.048 0.000 0.957 431 S CB 0.159 63.401 63.200 0.069 0.000 0.773 431 S HN 0.328 nan 8.310 nan 0.000 0.507 432 G N -0.014 108.813 108.800 0.045 0.000 2.237 432 G HA2 0.259 4.218 3.960 -0.000 0.000 0.153 432 G HA3 0.259 4.218 3.960 -0.000 0.000 0.153 432 G C -0.161 174.767 174.900 0.046 0.000 1.039 432 G CA -0.279 44.844 45.100 0.038 0.000 0.719 432 G HN 1.288 nan 8.290 nan 0.000 0.491 433 A N -0.223 122.634 122.820 0.061 0.000 2.356 433 A HA 0.818 5.137 4.320 -0.000 0.000 0.310 433 A C -0.311 177.312 177.584 0.066 0.000 1.075 433 A CA -0.286 51.795 52.037 0.074 0.000 0.746 433 A CB 1.258 20.327 19.000 0.115 0.000 1.221 433 A HN 0.909 nan 8.150 nan 0.000 0.443 434 N N 1.323 120.055 118.700 0.053 0.000 2.455 434 N HA 0.440 5.180 4.740 -0.000 0.000 0.280 434 N C -0.814 174.725 175.510 0.048 0.000 1.055 434 N CA -0.196 52.875 53.050 0.034 0.000 0.961 434 N CB 0.818 39.316 38.487 0.019 0.000 1.121 434 N HN 0.367 nan 8.380 nan 0.000 0.476 435 I N 3.787 124.367 120.570 0.016 0.000 2.396 435 I HA 0.136 4.306 4.170 -0.000 0.000 0.289 435 I C 1.398 177.517 176.117 0.003 0.000 1.056 435 I CA -0.429 60.883 61.300 0.020 0.000 1.365 435 I CB 0.438 38.366 38.000 -0.121 0.000 1.407 435 I HN 0.747 nan 8.210 nan 0.000 0.509 436 K N 4.097 124.524 120.400 0.044 0.000 2.323 436 K HA 0.324 4.644 4.320 -0.000 0.000 0.197 436 K C 0.489 177.102 176.600 0.022 0.000 1.043 436 K CA 0.654 56.956 56.287 0.026 0.000 0.997 436 K CB 0.581 33.101 32.500 0.034 0.000 0.807 436 K HN 0.703 nan 8.250 nan 0.000 0.497 437 M N 0.856 120.483 119.600 0.044 0.000 2.373 437 M HA 0.333 4.812 4.480 -0.000 0.000 0.290 437 M C -2.122 174.227 176.300 0.083 0.000 1.143 437 M CA -0.481 54.845 55.300 0.042 0.000 0.949 437 M CB 1.716 34.348 32.600 0.053 0.000 1.756 437 M HN -0.136 nan 8.290 nan 0.000 0.494 438 I N 3.192 123.786 120.570 0.040 0.000 2.569 438 I HA 0.889 5.059 4.170 -0.000 0.000 0.296 438 I C -0.547 175.636 176.117 0.110 0.000 1.028 438 I CA -0.854 60.502 61.300 0.095 0.000 1.082 438 I CB 2.198 40.168 38.000 -0.050 0.000 1.264 438 I HN 0.784 nan 8.210 nan 0.000 0.429 439 A N 5.276 128.193 122.820 0.163 0.000 2.442 439 A HA 0.577 4.896 4.320 -0.000 0.000 0.284 439 A C -1.119 176.547 177.584 0.137 0.000 1.058 439 A CA -0.465 51.647 52.037 0.124 0.000 0.738 439 A CB 1.581 20.643 19.000 0.103 0.000 1.242 439 A HN 0.707 nan 8.150 nan 0.000 0.421 440 Q N 2.177 122.044 119.800 0.112 0.000 2.337 440 Q HA 0.594 4.934 4.340 -0.000 0.000 0.270 440 Q C 0.082 176.121 176.000 0.065 0.000 1.043 440 Q CA -0.483 55.378 55.803 0.096 0.000 0.794 440 Q CB 2.042 30.842 28.738 0.103 0.000 1.281 440 Q HN 0.965 nan 8.270 nan 0.000 0.446 441 G N 1.159 109.991 108.800 0.053 0.000 2.547 441 G HA2 0.219 4.179 3.960 -0.000 0.000 0.291 441 G HA3 0.219 4.179 3.960 -0.000 0.000 0.291 441 G C 0.515 175.433 174.900 0.030 0.000 1.211 441 G CA -0.212 44.911 45.100 0.038 0.000 0.950 441 G HN 0.714 nan 8.290 nan 0.000 0.504 442 S N -0.127 115.586 115.700 0.022 0.000 2.353 442 S HA -0.127 4.343 4.470 -0.000 0.000 0.222 442 S C 1.886 176.496 174.600 0.016 0.000 1.035 442 S CA 1.454 59.665 58.200 0.017 0.000 1.025 442 S CB -0.416 62.792 63.200 0.012 0.000 0.902 442 S HN 0.932 nan 8.310 nan 0.000 0.440 443 S N 2.330 118.040 115.700 0.017 0.000 2.465 443 S HA 0.131 4.600 4.470 -0.000 0.000 0.307 443 S C -0.016 174.595 174.600 0.018 0.000 1.187 443 S CA -0.364 57.846 58.200 0.017 0.000 1.141 443 S CB -0.026 63.185 63.200 0.019 0.000 1.108 443 S HN 0.377 nan 8.310 nan 0.000 0.525 444 E N 2.387 122.594 120.200 0.012 0.000 2.352 444 E HA 0.017 4.367 4.350 -0.000 0.000 0.197 444 E C 0.643 177.244 176.600 0.002 0.000 1.224 444 E CA -0.122 56.283 56.400 0.008 0.000 1.118 444 E CB -0.307 29.393 29.700 0.000 0.000 1.198 444 E HN 0.687 nan 8.360 nan 0.000 0.454 445 V N 0.404 120.323 119.914 0.010 0.000 3.129 445 V HA -0.061 4.059 4.120 -0.000 0.000 0.259 445 V C 0.608 176.709 176.094 0.011 0.000 1.116 445 V CA 0.517 62.821 62.300 0.007 0.000 1.127 445 V CB -0.523 31.310 31.823 0.016 0.000 0.742 445 V HN 0.293 nan 8.190 nan 0.000 0.474 446 N N 0.048 118.761 118.700 0.023 0.000 2.371 446 N HA 0.440 5.180 4.740 -0.000 0.000 0.291 446 N C -1.388 174.155 175.510 0.056 0.000 1.053 446 N CA -0.482 52.590 53.050 0.037 0.000 0.870 446 N CB 1.607 40.124 38.487 0.050 0.000 1.503 446 N HN 0.138 nan 8.380 nan 0.000 0.485 447 I N 1.957 122.569 120.570 0.070 0.000 2.354 447 I HA 0.322 4.491 4.170 -0.000 0.000 0.286 447 I C -0.185 176.073 176.117 0.234 0.000 1.007 447 I CA -0.530 60.855 61.300 0.142 0.000 1.167 447 I CB 1.507 39.560 38.000 0.089 0.000 1.320 447 I HN 0.344 nan 8.210 nan 0.000 0.458 448 S N 6.514 122.351 115.700 0.228 0.000 2.525 448 S HA 0.792 5.261 4.470 -0.000 0.000 0.290 448 S C -0.567 174.240 174.600 0.345 0.000 1.152 448 S CA -0.523 57.786 58.200 0.181 0.000 1.072 448 S CB 1.126 64.380 63.200 0.090 0.000 1.027 448 S HN 0.485 nan 8.310 nan 0.000 0.500 449 F N -0.139 119.880 119.950 0.116 0.000 2.711 449 F HA 0.823 5.350 4.527 -0.000 0.000 0.313 449 F C -1.088 174.755 175.800 0.072 0.000 1.141 449 F CA -1.513 56.558 58.000 0.117 0.000 0.941 449 F CB 0.762 39.896 39.000 0.223 0.000 1.349 449 F HN 0.404 nan 8.300 nan 0.000 0.464 450 V N 0.912 120.947 119.914 0.201 0.000 2.656 450 V HA 0.899 5.019 4.120 -0.000 0.000 0.307 450 V C -0.594 175.593 176.094 0.155 0.000 1.051 450 V CA -0.842 61.502 62.300 0.074 0.000 0.893 450 V CB 1.235 33.083 31.823 0.040 0.000 0.999 450 V HN 1.171 nan 8.190 nan 0.000 0.426 451 I N -0.937 119.691 120.570 0.097 0.000 3.174 451 I HA 0.690 4.859 4.170 -0.000 0.000 0.313 451 I C -0.764 175.383 176.117 0.051 0.000 1.155 451 I CA -0.898 60.466 61.300 0.108 0.000 0.977 451 I CB 2.007 40.108 38.000 0.167 0.000 1.248 451 I HN 0.420 nan 8.210 nan 0.000 0.453 452 D N 2.285 122.713 120.400 0.046 0.000 2.525 452 D HA -0.027 4.613 4.640 -0.000 0.000 0.235 452 D C 0.869 177.181 176.300 0.019 0.000 1.137 452 D CA 0.571 54.587 54.000 0.026 0.000 0.868 452 D CB 1.260 42.075 40.800 0.025 0.000 1.180 452 D HN 0.758 nan 8.370 nan 0.000 0.465 453 E N 3.054 123.258 120.200 0.006 0.000 2.070 453 E HA -0.271 4.079 4.350 -0.000 0.000 0.197 453 E C 1.656 178.257 176.600 0.002 0.000 1.004 453 E CA 2.038 58.437 56.400 -0.003 0.000 0.805 453 E CB -0.001 29.694 29.700 -0.007 0.000 0.744 453 E HN 0.565 nan 8.360 nan 0.000 0.451 454 K N -0.270 120.134 120.400 0.006 0.000 2.286 454 K HA -0.188 4.132 4.320 -0.000 0.000 0.203 454 K C 0.758 177.366 176.600 0.013 0.000 1.045 454 K CA 1.710 58.001 56.287 0.007 0.000 0.935 454 K CB -0.105 32.400 32.500 0.008 0.000 0.737 454 K HN 0.136 nan 8.250 nan 0.000 0.460 455 D N 1.064 121.477 120.400 0.022 0.000 2.354 455 D HA -0.001 4.638 4.640 -0.000 0.000 0.209 455 D C 1.771 178.094 176.300 0.038 0.000 1.015 455 D CA 0.108 54.129 54.000 0.036 0.000 0.867 455 D CB 0.052 40.883 40.800 0.053 0.000 0.933 455 D HN 0.187 nan 8.370 nan 0.000 0.520 456 L N 0.760 121.996 121.223 0.021 0.000 2.013 456 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 456 L C 2.117 178.995 176.870 0.014 0.000 1.073 456 L CA 1.183 56.030 54.840 0.011 0.000 0.753 456 L CB -0.123 41.927 42.059 -0.015 0.000 0.890 456 L HN 0.057 nan 8.230 nan 0.000 0.432 457 L N 0.464 121.692 121.223 0.007 0.000 1.944 457 L HA -0.306 4.033 4.340 -0.000 0.000 0.218 457 L C 2.295 179.175 176.870 0.017 0.000 1.075 457 L CA 2.337 57.179 54.840 0.003 0.000 0.767 457 L CB -1.442 40.616 42.059 -0.002 0.000 0.890 457 L HN 0.505 nan 8.230 nan 0.000 0.434 458 N N -0.893 117.821 118.700 0.024 0.000 2.364 458 N HA -0.168 4.572 4.740 -0.000 0.000 0.183 458 N C 1.854 177.397 175.510 0.054 0.000 1.022 458 N CA 1.299 54.369 53.050 0.033 0.000 0.883 458 N CB -0.549 37.956 38.487 0.030 0.000 0.965 458 N HN 0.472 nan 8.380 nan 0.000 0.438 459 C N 0.214 119.557 119.300 0.071 0.000 2.543 459 C HA 0.059 4.518 4.460 -0.000 0.000 0.281 459 C C 2.767 177.831 174.990 0.124 0.000 1.276 459 C CA 0.183 59.270 59.018 0.114 0.000 1.700 459 C CB -0.836 26.994 27.740 0.150 0.000 2.093 459 C HN 0.171 nan 8.230 nan 0.000 0.488 460 V N 1.749 121.719 119.914 0.093 0.000 2.332 460 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 460 V C 2.785 178.941 176.094 0.102 0.000 1.055 460 V CA 2.277 64.632 62.300 0.092 0.000 1.038 460 V CB -0.970 30.874 31.823 0.035 0.000 0.651 460 V HN 0.518 nan 8.190 nan 0.000 0.450 461 R N 0.290 120.827 120.500 0.062 0.000 2.091 461 R HA -0.245 4.095 4.340 -0.000 0.000 0.238 461 R C 2.382 178.735 176.300 0.089 0.000 1.136 461 R CA 2.134 58.269 56.100 0.058 0.000 0.959 461 R CB -0.192 30.123 30.300 0.024 0.000 0.856 461 R HN 0.411 nan 8.270 nan 0.000 0.437 462 K N 0.414 120.860 120.400 0.078 0.000 2.025 462 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 462 K C 2.015 178.652 176.600 0.061 0.000 1.049 462 K CA 1.010 57.329 56.287 0.054 0.000 0.933 462 K CB -0.341 32.192 32.500 0.055 0.000 0.714 462 K HN 0.061 nan 8.250 nan 0.000 0.438 463 L N 0.960 122.274 121.223 0.151 0.000 2.046 463 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 463 L C 2.544 179.556 176.870 0.236 0.000 1.077 463 L CA 1.921 56.916 54.840 0.258 0.000 0.747 463 L CB -1.504 40.744 42.059 0.316 0.000 0.896 463 L HN 0.504 nan 8.230 nan 0.000 0.432 464 H N 0.088 119.218 119.070 0.101 0.000 2.389 464 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 464 H C 2.018 177.356 175.328 0.017 0.000 1.081 464 H CA 1.569 57.661 56.048 0.073 0.000 1.345 464 H CB 0.514 30.304 29.762 0.047 0.000 1.393 464 H HN 0.440 nan 8.280 nan 0.000 0.520 465 E N 0.411 120.644 120.200 0.055 0.000 2.058 465 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 465 E C 2.194 178.693 176.600 -0.168 0.000 0.997 465 E CA 0.936 57.313 56.400 -0.040 0.000 0.801 465 E CB 0.094 29.777 29.700 -0.030 0.000 0.746 465 E HN 0.306 nan 8.360 nan 0.000 0.450 466 K N -0.693 119.518 120.400 -0.315 0.000 2.361 466 K HA -0.006 4.314 4.320 -0.000 0.000 0.196 466 K C 0.534 176.731 176.600 -0.672 0.000 1.039 466 K CA 0.424 56.352 56.287 -0.598 0.000 1.001 466 K CB 0.380 32.314 32.500 -0.944 0.000 0.795 466 K HN 0.029 nan 8.250 nan 0.000 0.495 467 F N -0.620 119.289 119.950 -0.069 0.000 2.746 467 F HA 0.210 4.736 4.527 -0.000 0.000 0.320 467 F C 1.194 176.930 175.800 -0.108 0.000 1.097 467 F CA -0.423 57.533 58.000 -0.073 0.000 1.195 467 F CB 0.486 39.456 39.000 -0.051 0.000 1.056 467 F HN -0.108 nan 8.300 nan 0.000 0.562 468 I N -0.505 120.029 120.570 -0.060 0.000 3.098 468 I HA 0.077 4.247 4.170 -0.000 0.000 0.241 468 I C 1.193 177.255 176.117 -0.091 0.000 1.081 468 I CA 0.833 62.047 61.300 -0.143 0.000 1.487 468 I CB -0.571 37.151 38.000 -0.463 0.000 1.366 468 I HN 0.005 nan 8.210 nan 0.000 0.463 469 E N 0.000 120.136 120.200 -0.107 0.000 2.725 469 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 469 E CA 0.000 56.368 56.400 -0.053 0.000 0.976 469 E CB 0.000 29.680 29.700 -0.034 0.000 0.812 469 E HN 0.000 nan 8.360 nan 0.000 0.440