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 2e94_1_B DATA FIRST_RESID 3 DATA SEQUENCE KNKMEAKIDE LINNDPVWSS QNESLISKPY NHILLKPGKN FRLNLIVQIN DATA SEQUENCE RVMNLPKDQL AIVSQIVELL HNSSLLIDDI EDNAPLRRGQ TTSHLIFGVP DATA SEQUENCE STINTANYMY FRAMQLVSQL TTKEPLYHNL ITIFNEELIN LHRGQGLDIY DATA SEQUENCE WRDFLPEIIP TQEMYLNMVM NKTGGLFRLT LRLMEALSPS XXXXHSLVPF DATA SEQUENCE INLLGIIYQI RDDYLNLKDF QMSSXXGFAE DITEGKLSFP IVHALNFTKT DATA SEQUENCE KGQTEQHNEI LRILLLRTSD KDIKLKLIQI LEFDTNSLAY TKNFINQLVN DATA SEQUENCE MIKNDNENKY LP 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.600 176.600 -0.000 0.000 0.988 3 K CA 0.000 56.287 56.287 -0.000 0.000 0.838 3 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 4 N N 1.455 120.155 118.700 -0.000 0.000 2.395 4 N HA 0.023 4.763 4.740 0.001 0.000 0.175 4 N C 1.376 176.886 175.510 -0.000 0.000 1.029 4 N CA 0.830 53.880 53.050 -0.000 0.000 0.897 4 N CB 0.332 38.819 38.487 -0.000 0.000 0.991 4 N HN 0.163 nan 8.380 nan 0.000 0.441 5 K N -0.163 120.237 120.400 -0.000 0.000 2.155 5 K HA -0.044 4.276 4.320 0.001 0.000 0.203 5 K C 1.785 178.385 176.600 0.000 0.000 1.052 5 K CA 0.703 56.990 56.287 -0.000 0.000 0.948 5 K CB -0.023 32.477 32.500 -0.000 0.000 0.728 5 K HN 0.176 nan 8.250 nan 0.000 0.448 6 M N 0.970 120.570 119.600 0.000 0.000 2.193 6 M HA -0.094 4.386 4.480 0.001 0.000 0.265 6 M C 1.376 177.676 176.300 0.001 0.000 1.071 6 M CA 1.592 56.892 55.300 0.000 0.000 1.140 6 M CB -0.170 32.430 32.600 0.000 0.000 1.369 6 M HN 0.145 nan 8.290 nan 0.000 0.423 7 E N 0.331 120.532 120.200 0.000 0.000 2.077 7 E HA -0.162 4.189 4.350 0.001 0.000 0.193 7 E C 1.985 178.586 176.600 0.000 0.000 0.989 7 E CA 1.343 57.744 56.400 0.000 0.000 0.800 7 E CB -0.114 29.586 29.700 -0.000 0.000 0.746 7 E HN 0.618 nan 8.360 nan 0.000 0.452 8 A N 1.801 124.622 122.820 0.000 0.000 1.865 8 A HA -0.254 4.066 4.320 0.001 0.000 0.217 8 A C 1.983 179.568 177.584 0.001 0.000 1.191 8 A CA 1.714 53.751 52.037 0.000 0.000 0.623 8 A CB -0.391 18.609 19.000 0.000 0.000 0.826 8 A HN 0.064 nan 8.150 nan 0.000 0.444 9 K N -0.721 119.680 120.400 0.001 0.000 2.147 9 K HA -0.048 4.273 4.320 0.001 0.000 0.205 9 K C 1.782 178.383 176.600 0.003 0.000 1.049 9 K CA 1.074 57.362 56.287 0.002 0.000 0.936 9 K CB -0.230 32.271 32.500 0.002 0.000 0.722 9 K HN 0.404 nan 8.250 nan 0.000 0.446 10 I N 1.416 121.987 120.570 0.002 0.000 2.233 10 I HA -0.226 3.944 4.170 0.001 0.000 0.243 10 I C 2.156 178.274 176.117 0.002 0.000 1.093 10 I CA 1.533 62.835 61.300 0.002 0.000 1.380 10 I CB -0.941 37.060 38.000 0.002 0.000 1.067 10 I HN 0.228 nan 8.210 nan 0.000 0.413 11 D N 0.843 121.244 120.400 0.001 0.000 2.123 11 D HA -0.287 4.354 4.640 0.001 0.000 0.196 11 D C 2.175 178.476 176.300 0.002 0.000 0.992 11 D CA 1.617 55.617 54.000 0.001 0.000 0.833 11 D CB 0.044 40.844 40.800 0.000 0.000 0.954 11 D HN 0.361 nan 8.370 nan 0.000 0.455 12 E N -0.827 119.374 120.200 0.002 0.000 2.077 12 E HA -0.181 4.169 4.350 0.001 0.000 0.193 12 E C 2.031 178.634 176.600 0.005 0.000 0.989 12 E CA 0.512 56.914 56.400 0.003 0.000 0.800 12 E CB -0.099 29.603 29.700 0.003 0.000 0.746 12 E HN 0.250 nan 8.360 nan 0.000 0.452 13 L N 1.694 122.920 121.223 0.006 0.000 1.994 13 L HA -0.171 4.169 4.340 0.001 0.000 0.208 13 L C 2.489 179.363 176.870 0.007 0.000 1.071 13 L CA 1.816 56.661 54.840 0.008 0.000 0.745 13 L CB -1.071 40.993 42.059 0.008 0.000 0.892 13 L HN 0.422 nan 8.230 nan 0.000 0.431 14 I N -3.622 116.950 120.570 0.004 0.000 2.830 14 I HA -0.123 4.047 4.170 0.001 0.000 0.263 14 I C 1.462 177.579 176.117 0.000 0.000 1.230 14 I CA 1.069 62.370 61.300 0.001 0.000 1.480 14 I CB -0.470 37.529 38.000 -0.000 0.000 1.095 14 I HN 0.233 nan 8.210 nan 0.000 0.455 15 N N 1.413 120.113 118.700 0.001 0.000 2.280 15 N HA 0.144 4.884 4.740 0.001 0.000 0.192 15 N C -0.157 175.355 175.510 0.002 0.000 1.109 15 N CA 0.104 53.154 53.050 0.001 0.000 0.855 15 N CB 0.204 38.692 38.487 0.000 0.000 0.974 15 N HN 0.475 nan 8.380 nan 0.000 0.482 16 N N 0.673 119.376 118.700 0.005 0.000 2.402 16 N HA 0.170 4.911 4.740 0.001 0.000 0.294 16 N C -0.904 174.612 175.510 0.010 0.000 1.203 16 N CA -0.416 52.639 53.050 0.008 0.000 0.838 16 N CB 1.490 39.985 38.487 0.012 0.000 1.306 16 N HN -0.097 nan 8.380 nan 0.000 0.510 17 D N 1.222 121.629 120.400 0.013 0.000 2.382 17 D HA 0.164 4.805 4.640 0.001 0.000 0.240 17 D C -1.816 174.500 176.300 0.027 0.000 1.146 17 D CA -0.476 53.532 54.000 0.014 0.000 0.897 17 D CB 0.158 40.969 40.800 0.018 0.000 1.197 17 D HN 0.260 nan 8.370 nan 0.000 0.432 18 P HA -0.006 nan 4.420 nan 0.000 0.265 18 P C -0.430 176.927 177.300 0.095 0.000 1.193 18 P CA -0.245 62.882 63.100 0.045 0.000 0.765 18 P CB 0.458 32.169 31.700 0.018 0.000 0.823 19 V N 4.977 124.955 119.914 0.108 0.000 2.521 19 V HA 0.093 4.213 4.120 0.001 0.000 0.286 19 V C 0.188 176.441 176.094 0.265 0.000 1.034 19 V CA 0.247 62.627 62.300 0.133 0.000 1.045 19 V CB -0.103 31.765 31.823 0.075 0.000 0.974 19 V HN 0.674 nan 8.190 nan 0.000 0.480 20 W N 5.704 126.997 121.300 -0.012 0.000 3.216 20 W HA 0.468 5.128 4.660 0.000 0.000 0.335 20 W C -0.182 176.332 176.519 -0.008 0.000 1.077 20 W CA -0.631 56.705 57.345 -0.015 0.000 1.252 20 W CB 2.228 31.681 29.460 -0.013 0.000 1.312 20 W HN 0.679 nan 8.180 nan 0.000 0.446 21 S N 1.604 117.010 115.700 -0.489 0.000 2.713 21 S HA 0.342 4.812 4.470 0.001 0.000 0.283 21 S C 1.103 175.432 174.600 -0.451 0.000 1.161 21 S CA 0.114 58.100 58.200 -0.357 0.000 0.999 21 S CB 1.701 64.737 63.200 -0.273 0.000 1.039 21 S HN 0.504 nan 8.310 nan 0.000 0.548 22 S N -0.080 115.486 115.700 -0.223 0.000 2.481 22 S HA -0.092 4.378 4.470 0.001 0.000 0.231 22 S C 1.549 176.038 174.600 -0.185 0.000 0.996 22 S CA 0.468 58.577 58.200 -0.153 0.000 0.942 22 S CB -0.630 62.532 63.200 -0.063 0.000 0.768 22 S HN 0.739 nan 8.310 nan 0.000 0.520 23 Q N 1.075 120.738 119.800 -0.228 0.000 2.083 23 Q HA 0.011 4.351 4.340 0.001 0.000 0.198 23 Q C 1.675 177.495 176.000 -0.299 0.000 0.969 23 Q CA 1.030 56.712 55.803 -0.201 0.000 0.838 23 Q CB -0.234 28.403 28.738 -0.169 0.000 0.900 23 Q HN 0.554 nan 8.270 nan 0.000 0.436 24 N N 0.957 119.324 118.700 -0.554 0.000 2.120 24 N HA -0.179 4.562 4.740 0.001 0.000 0.188 24 N C 1.632 176.766 175.510 -0.627 0.000 1.024 24 N CA 1.110 53.640 53.050 -0.868 0.000 0.852 24 N CB -0.171 37.194 38.487 -1.869 0.000 1.003 24 N HN 0.197 nan 8.380 nan 0.000 0.424 25 E N 0.745 120.652 120.200 -0.488 0.000 2.153 25 E HA -0.005 4.345 4.350 0.001 0.000 0.194 25 E C 1.722 178.350 176.600 0.046 0.000 0.988 25 E CA 0.989 57.426 56.400 0.061 0.000 0.811 25 E CB -0.132 29.657 29.700 0.148 0.000 0.746 25 E HN 0.148 nan 8.360 nan 0.000 0.466 26 S N -0.258 115.413 115.700 -0.048 0.000 2.387 26 S HA -0.001 4.469 4.470 0.001 0.000 0.226 26 S C 1.825 176.413 174.600 -0.020 0.000 1.026 26 S CA 0.575 58.766 58.200 -0.015 0.000 0.972 26 S CB -0.178 63.004 63.200 -0.031 0.000 0.814 26 S HN 0.250 nan 8.310 nan 0.000 0.477 27 L N 1.226 122.416 121.223 -0.054 0.000 1.989 27 L HA -0.114 4.226 4.340 0.001 0.000 0.211 27 L C 2.092 178.948 176.870 -0.023 0.000 1.071 27 L CA 1.095 55.912 54.840 -0.038 0.000 0.749 27 L CB -0.498 41.529 42.059 -0.054 0.000 0.890 27 L HN 0.314 nan 8.230 nan 0.000 0.431 28 I N -0.656 119.923 120.570 0.015 0.000 2.614 28 I HA -0.193 3.977 4.170 0.001 0.000 0.258 28 I C 2.346 178.476 176.117 0.022 0.000 1.189 28 I CA 1.250 62.563 61.300 0.022 0.000 1.462 28 I CB -0.915 37.122 38.000 0.061 0.000 1.092 28 I HN 0.179 nan 8.210 nan 0.000 0.442 29 S N 0.083 115.812 115.700 0.048 0.000 2.528 29 S HA 0.019 4.489 4.470 0.001 0.000 0.219 29 S C 1.770 176.374 174.600 0.007 0.000 0.985 29 S CA 0.042 58.294 58.200 0.085 0.000 0.914 29 S CB 0.127 63.401 63.200 0.124 0.000 0.776 29 S HN 0.397 nan 8.310 nan 0.000 0.526 30 K N 1.554 121.873 120.400 -0.135 0.000 2.089 30 K HA -0.145 4.176 4.320 0.001 0.000 0.210 30 K C -1.037 175.160 176.600 -0.672 0.000 1.048 30 K CA 1.592 57.669 56.287 -0.350 0.000 0.926 30 K CB -1.029 31.190 32.500 -0.468 0.000 0.714 30 K HN 0.304 nan 8.250 nan 0.000 0.448 31 P HA -0.127 nan 4.420 nan 0.000 0.222 31 P C 0.868 178.141 177.300 -0.045 0.000 1.153 31 P CA 0.833 63.619 63.100 -0.523 0.000 0.798 31 P CB 0.036 31.577 31.700 -0.265 0.000 0.796 32 Y N 0.677 120.926 120.300 -0.086 0.000 2.220 32 Y HA -0.092 4.459 4.550 0.001 0.000 0.291 32 Y C 1.921 177.839 175.900 0.030 0.000 1.129 32 Y CA 1.441 59.542 58.100 0.001 0.000 1.161 32 Y CB -0.690 37.779 38.460 0.015 0.000 0.997 32 Y HN -0.159 nan 8.280 nan 0.000 0.522 33 N N -0.531 118.241 118.700 0.120 0.000 2.223 33 N HA -0.227 4.513 4.740 0.001 0.000 0.185 33 N C 1.938 177.466 175.510 0.029 0.000 1.016 33 N CA 1.473 54.565 53.050 0.070 0.000 0.863 33 N CB -0.786 37.766 38.487 0.109 0.000 0.983 33 N HN 0.560 nan 8.380 nan 0.000 0.429 34 H N 0.591 119.658 119.070 -0.004 0.000 2.387 34 H HA -0.010 4.546 4.556 0.000 0.000 0.299 34 H C 1.846 177.183 175.328 0.014 0.000 1.090 34 H CA 0.892 56.989 56.048 0.081 0.000 1.332 34 H CB -0.074 29.859 29.762 0.285 0.000 1.386 34 H HN 0.193 nan 8.280 nan 0.000 0.516 35 I N 0.618 121.149 120.570 -0.066 0.000 3.428 35 I HA -0.112 4.058 4.170 0.001 0.000 0.286 35 I C 1.831 177.829 176.117 -0.197 0.000 1.287 35 I CA 0.092 61.309 61.300 -0.138 0.000 1.396 35 I CB 0.002 37.946 38.000 -0.093 0.000 1.062 35 I HN 0.202 nan 8.210 nan 0.000 0.471 36 L N 0.283 121.375 121.223 -0.219 0.000 2.141 36 L HA -0.132 4.209 4.340 0.001 0.000 0.209 36 L C 1.847 178.660 176.870 -0.096 0.000 1.094 36 L CA 0.903 55.646 54.840 -0.162 0.000 0.763 36 L CB -0.416 41.574 42.059 -0.115 0.000 0.908 36 L HN 0.278 nan 8.230 nan 0.000 0.437 37 L N 0.092 121.244 121.223 -0.117 0.000 2.834 37 L HA -0.075 4.266 4.340 0.001 0.000 0.252 37 L C 0.887 177.711 176.870 -0.077 0.000 1.152 37 L CA 0.555 55.340 54.840 -0.092 0.000 0.898 37 L CB -0.986 40.995 42.059 -0.131 0.000 1.078 37 L HN 0.142 nan 8.230 nan 0.000 0.439 38 K N 2.587 122.947 120.400 -0.067 0.000 2.240 38 K HA 0.365 4.686 4.320 0.001 0.000 0.271 38 K C -2.131 174.473 176.600 0.006 0.000 1.018 38 K CA -1.706 54.562 56.287 -0.032 0.000 0.874 38 K CB 1.602 34.082 32.500 -0.033 0.000 1.098 38 K HN -0.131 nan 8.250 nan 0.000 0.458 39 P HA 0.192 nan 4.420 nan 0.000 0.274 39 P C 0.398 177.739 177.300 0.068 0.000 1.256 39 P CA 0.158 63.287 63.100 0.049 0.000 0.795 39 P CB 0.919 32.649 31.700 0.051 0.000 1.038 40 G N 0.176 109.043 108.800 0.112 0.000 2.316 40 G HA2 -0.233 3.728 3.960 0.001 0.000 0.203 40 G HA3 -0.233 3.728 3.960 0.001 0.000 0.203 40 G C 1.108 176.101 174.900 0.155 0.000 0.999 40 G CA 0.412 45.594 45.100 0.135 0.000 0.649 40 G HN 0.673 nan 8.290 nan 0.000 0.489 41 K N 0.835 121.295 120.400 0.101 0.000 2.160 41 K HA -0.149 4.171 4.320 0.001 0.000 0.206 41 K C 2.087 178.725 176.600 0.062 0.000 1.047 41 K CA 1.846 58.168 56.287 0.060 0.000 0.930 41 K CB -0.246 32.283 32.500 0.048 0.000 0.720 41 K HN 0.419 nan 8.250 nan 0.000 0.450 42 N N -0.078 118.683 118.700 0.102 0.000 2.270 42 N HA -0.104 4.637 4.740 0.001 0.000 0.181 42 N C 1.429 176.926 175.510 -0.022 0.000 1.016 42 N CA 1.031 54.098 53.050 0.027 0.000 0.870 42 N CB -0.219 38.264 38.487 -0.006 0.000 0.979 42 N HN 0.182 nan 8.380 nan 0.000 0.431 43 F N 1.119 121.062 119.950 -0.012 0.000 2.456 43 F HA 0.107 4.634 4.527 0.001 0.000 0.298 43 F C 2.492 178.269 175.800 -0.037 0.000 1.104 43 F CA 0.431 58.427 58.000 -0.006 0.000 1.435 43 F CB -0.024 38.984 39.000 0.014 0.000 1.078 43 F HN -0.044 nan 8.300 nan 0.000 0.546 44 R N -0.067 120.484 120.500 0.086 0.000 2.127 44 R HA -0.056 4.284 4.340 0.001 0.000 0.217 44 R C 2.012 178.283 176.300 -0.049 0.000 1.074 44 R CA 0.731 56.797 56.100 -0.056 0.000 0.991 44 R CB -0.258 29.934 30.300 -0.179 0.000 0.895 44 R HN 0.281 nan 8.270 nan 0.000 0.450 45 L N 1.107 122.313 121.223 -0.028 0.000 2.270 45 L HA 0.049 4.390 4.340 0.001 0.000 0.210 45 L C 1.635 178.485 176.870 -0.034 0.000 1.104 45 L CA 1.586 56.408 54.840 -0.030 0.000 0.804 45 L CB -0.598 41.447 42.059 -0.022 0.000 0.937 45 L HN 0.175 nan 8.230 nan 0.000 0.450 46 N N -0.349 118.320 118.700 -0.051 0.000 2.058 46 N HA -0.251 4.489 4.740 0.001 0.000 0.191 46 N C 1.865 177.365 175.510 -0.017 0.000 1.037 46 N CA 1.933 54.941 53.050 -0.071 0.000 0.848 46 N CB -0.441 37.950 38.487 -0.160 0.000 1.021 46 N HN 0.322 nan 8.380 nan 0.000 0.422 47 L N 0.533 121.767 121.223 0.018 0.000 2.079 47 L HA -0.037 4.304 4.340 0.001 0.000 0.210 47 L C 2.008 178.902 176.870 0.040 0.000 1.081 47 L CA 1.464 56.339 54.840 0.059 0.000 0.752 47 L CB -0.518 41.591 42.059 0.083 0.000 0.896 47 L HN 0.363 nan 8.230 nan 0.000 0.433 48 I N -1.888 118.687 120.570 0.009 0.000 2.179 48 I HA -0.284 3.886 4.170 0.001 0.000 0.242 48 I C 2.268 178.388 176.117 0.006 0.000 1.088 48 I CA 1.304 62.606 61.300 0.005 0.000 1.357 48 I CB -0.321 37.672 38.000 -0.011 0.000 1.051 48 I HN 0.077 nan 8.210 nan 0.000 0.409 49 V N 0.200 120.111 119.914 -0.005 0.000 2.295 49 V HA -0.260 3.860 4.120 0.001 0.000 0.246 49 V C 2.496 178.588 176.094 -0.004 0.000 1.049 49 V CA 1.552 63.847 62.300 -0.009 0.000 1.024 49 V CB -0.730 31.080 31.823 -0.021 0.000 0.648 49 V HN 0.423 nan 8.190 nan 0.000 0.447 50 Q N -0.249 119.552 119.800 0.001 0.000 2.061 50 Q HA -0.133 4.208 4.340 0.001 0.000 0.204 50 Q C 2.245 178.252 176.000 0.011 0.000 0.984 50 Q CA 1.854 57.661 55.803 0.006 0.000 0.846 50 Q CB -0.493 28.257 28.738 0.020 0.000 0.902 50 Q HN 0.598 nan 8.270 nan 0.000 0.421 51 I N 0.967 121.555 120.570 0.029 0.000 2.361 51 I HA -0.256 3.915 4.170 0.001 0.000 0.251 51 I C 2.057 178.180 176.117 0.010 0.000 1.133 51 I CA 0.753 62.072 61.300 0.032 0.000 1.413 51 I CB -0.364 37.675 38.000 0.065 0.000 1.073 51 I HN 0.314 nan 8.210 nan 0.000 0.424 52 N N 1.042 119.746 118.700 0.007 0.000 2.585 52 N HA -0.147 4.593 4.740 0.001 0.000 0.188 52 N C 1.710 177.216 175.510 -0.008 0.000 1.102 52 N CA 0.292 53.342 53.050 0.000 0.000 0.920 52 N CB 0.128 38.615 38.487 0.000 0.000 0.963 52 N HN 0.357 nan 8.380 nan 0.000 0.447 53 R N -0.509 119.984 120.500 -0.012 0.000 2.189 53 R HA 0.007 4.347 4.340 0.001 0.000 0.218 53 R C 1.591 177.876 176.300 -0.026 0.000 1.074 53 R CA 0.602 56.691 56.100 -0.019 0.000 0.991 53 R CB 0.297 30.584 30.300 -0.022 0.000 0.883 53 R HN 0.127 nan 8.270 nan 0.000 0.457 54 V N -0.137 119.759 119.914 -0.029 0.000 3.431 54 V HA -0.002 4.118 4.120 0.001 0.000 0.253 54 V C 1.636 177.711 176.094 -0.031 0.000 1.184 54 V CA 0.750 63.025 62.300 -0.041 0.000 1.104 54 V CB 0.283 32.069 31.823 -0.062 0.000 0.799 54 V HN 0.180 nan 8.190 nan 0.000 0.462 55 M N -0.884 118.706 119.600 -0.017 0.000 2.556 55 M HA 0.268 4.748 4.480 0.001 0.000 0.264 55 M C 0.650 176.946 176.300 -0.007 0.000 1.163 55 M CA 0.388 55.683 55.300 -0.009 0.000 1.186 55 M CB -0.888 31.713 32.600 0.001 0.000 1.321 55 M HN 0.349 nan 8.290 nan 0.000 0.485 56 N N 2.309 121.005 118.700 -0.007 0.000 2.696 56 N HA -0.156 4.584 4.740 0.001 0.000 0.256 56 N C -0.889 174.620 175.510 -0.001 0.000 1.031 56 N CA 0.422 53.469 53.050 -0.005 0.000 0.730 56 N CB -1.724 36.758 38.487 -0.008 0.000 0.894 56 N HN 0.393 nan 8.380 nan 0.000 0.544 57 L N 0.839 122.063 121.223 0.002 0.000 2.395 57 L HA 0.395 4.735 4.340 0.001 0.000 0.269 57 L C -1.375 175.497 176.870 0.004 0.000 1.133 57 L CA -1.598 53.245 54.840 0.005 0.000 0.812 57 L CB 0.350 42.414 42.059 0.009 0.000 1.125 57 L HN -0.044 nan 8.230 nan 0.000 0.452 58 P HA 0.069 nan 4.420 nan 0.000 0.271 58 P C -0.010 177.292 177.300 0.004 0.000 1.226 58 P CA -0.211 62.891 63.100 0.004 0.000 0.765 58 P CB 0.909 32.612 31.700 0.005 0.000 0.835 59 K N 2.241 122.643 120.400 0.003 0.000 2.169 59 K HA -0.274 4.047 4.320 0.001 0.000 0.213 59 K C 1.591 178.194 176.600 0.005 0.000 1.050 59 K CA 2.487 58.776 56.287 0.003 0.000 0.935 59 K CB -0.300 32.201 32.500 0.001 0.000 0.722 59 K HN 0.643 nan 8.250 nan 0.000 0.468 60 D N -0.052 120.351 120.400 0.005 0.000 2.178 60 D HA -0.224 4.416 4.640 0.001 0.000 0.202 60 D C 1.790 178.096 176.300 0.009 0.000 0.974 60 D CA 1.359 55.363 54.000 0.007 0.000 0.841 60 D CB -0.236 40.567 40.800 0.006 0.000 0.953 60 D HN 0.367 nan 8.370 nan 0.000 0.478 61 Q N -0.762 119.044 119.800 0.010 0.000 2.212 61 Q HA 0.035 4.375 4.340 0.001 0.000 0.199 61 Q C 2.187 178.195 176.000 0.014 0.000 0.950 61 Q CA 0.111 55.922 55.803 0.013 0.000 0.863 61 Q CB 0.027 28.773 28.738 0.014 0.000 0.944 61 Q HN 0.181 nan 8.270 nan 0.000 0.465 62 L N 0.183 121.412 121.223 0.011 0.000 2.141 62 L HA -0.052 4.288 4.340 0.001 0.000 0.209 62 L C 2.000 178.876 176.870 0.010 0.000 1.094 62 L CA 1.786 56.632 54.840 0.010 0.000 0.763 62 L CB -0.522 41.541 42.059 0.006 0.000 0.908 62 L HN 0.173 nan 8.230 nan 0.000 0.437 63 A N -0.398 122.429 122.820 0.011 0.000 1.898 63 A HA -0.139 4.181 4.320 0.001 0.000 0.216 63 A C 2.243 179.836 177.584 0.016 0.000 1.181 63 A CA 1.850 53.894 52.037 0.013 0.000 0.620 63 A CB -0.710 18.297 19.000 0.012 0.000 0.819 63 A HN 0.451 nan 8.150 nan 0.000 0.442 64 I N -0.480 120.099 120.570 0.016 0.000 2.226 64 I HA -0.201 3.970 4.170 0.001 0.000 0.245 64 I C 2.343 178.474 176.117 0.023 0.000 1.100 64 I CA 1.059 62.369 61.300 0.018 0.000 1.374 64 I CB -0.377 37.632 38.000 0.015 0.000 1.057 64 I HN 0.141 nan 8.210 nan 0.000 0.413 65 V N 0.005 119.933 119.914 0.024 0.000 2.343 65 V HA -0.307 3.813 4.120 0.001 0.000 0.247 65 V C 2.630 178.739 176.094 0.025 0.000 1.051 65 V CA 2.253 64.570 62.300 0.029 0.000 1.036 65 V CB -0.523 31.314 31.823 0.024 0.000 0.654 65 V HN 0.443 nan 8.190 nan 0.000 0.451 66 S N -0.954 114.756 115.700 0.018 0.000 2.383 66 S HA -0.280 4.190 4.470 0.001 0.000 0.229 66 S C 2.023 176.640 174.600 0.029 0.000 1.030 66 S CA 1.981 60.190 58.200 0.014 0.000 1.002 66 S CB -0.185 63.021 63.200 0.010 0.000 0.829 66 S HN 0.718 nan 8.310 nan 0.000 0.467 67 Q N 0.087 119.908 119.800 0.035 0.000 2.079 67 Q HA 0.006 4.346 4.340 0.001 0.000 0.200 67 Q C 2.193 178.229 176.000 0.059 0.000 0.974 67 Q CA 1.574 57.406 55.803 0.047 0.000 0.840 67 Q CB -0.258 28.501 28.738 0.034 0.000 0.898 67 Q HN 0.571 nan 8.270 nan 0.000 0.430 68 I N -0.000 120.604 120.570 0.057 0.000 2.163 68 I HA -0.293 3.878 4.170 0.001 0.000 0.243 68 I C 2.199 178.376 176.117 0.100 0.000 1.085 68 I CA 0.931 62.283 61.300 0.087 0.000 1.347 68 I CB -0.277 37.783 38.000 0.100 0.000 1.044 68 I HN 0.052 nan 8.210 nan 0.000 0.408 69 V N 0.464 120.416 119.914 0.064 0.000 2.295 69 V HA -0.262 3.858 4.120 0.001 0.000 0.246 69 V C 2.544 178.682 176.094 0.073 0.000 1.049 69 V CA 1.798 64.118 62.300 0.034 0.000 1.024 69 V CB -0.593 31.216 31.823 -0.023 0.000 0.648 69 V HN 0.392 nan 8.190 nan 0.000 0.447 70 E N -0.007 120.246 120.200 0.088 0.000 2.058 70 E HA -0.190 4.161 4.350 0.001 0.000 0.194 70 E C 2.227 178.976 176.600 0.247 0.000 0.997 70 E CA 1.282 57.772 56.400 0.149 0.000 0.801 70 E CB -0.453 29.333 29.700 0.143 0.000 0.746 70 E HN 0.514 nan 8.360 nan 0.000 0.450 71 L N 0.357 121.715 121.223 0.224 0.000 2.012 71 L HA -0.217 4.123 4.340 0.001 0.000 0.210 71 L C 2.648 179.671 176.870 0.255 0.000 1.073 71 L CA 1.064 56.045 54.840 0.235 0.000 0.748 71 L CB -0.470 41.633 42.059 0.073 0.000 0.891 71 L HN 0.125 nan 8.230 nan 0.000 0.431 72 L N -1.385 119.967 121.223 0.213 0.000 2.056 72 L HA -0.241 4.099 4.340 0.001 0.000 0.207 72 L C 2.653 179.649 176.870 0.210 0.000 1.078 72 L CA 1.192 56.166 54.840 0.223 0.000 0.749 72 L CB -0.657 41.461 42.059 0.098 0.000 0.901 72 L HN 0.332 nan 8.230 nan 0.000 0.433 73 H N 0.404 119.514 119.070 0.067 0.000 2.299 73 H HA -0.120 4.436 4.556 0.001 0.000 0.302 73 H C 2.176 177.537 175.328 0.055 0.000 1.078 73 H CA 1.887 57.946 56.048 0.019 0.000 1.323 73 H CB 0.106 29.845 29.762 -0.037 0.000 1.381 73 H HN 0.190 nan 8.280 nan 0.000 0.498 74 N N -0.062 118.682 118.700 0.074 0.000 2.120 74 N HA -0.124 4.616 4.740 0.001 0.000 0.188 74 N C 2.071 177.589 175.510 0.012 0.000 1.024 74 N CA 1.382 54.405 53.050 -0.044 0.000 0.852 74 N CB -0.343 38.077 38.487 -0.112 0.000 1.003 74 N HN 0.310 nan 8.380 nan 0.000 0.424 75 S N 0.665 116.456 115.700 0.152 0.000 2.368 75 S HA -0.131 4.339 4.470 0.001 0.000 0.225 75 S C 2.221 176.825 174.600 0.008 0.000 1.030 75 S CA 1.449 59.678 58.200 0.048 0.000 0.999 75 S CB -0.338 62.805 63.200 -0.096 0.000 0.844 75 S HN 0.588 nan 8.310 nan 0.000 0.459 76 S N 1.856 117.620 115.700 0.106 0.000 2.399 76 S HA 0.015 4.485 4.470 0.001 0.000 0.231 76 S C 1.815 176.403 174.600 -0.019 0.000 1.022 76 S CA 0.773 59.029 58.200 0.094 0.000 0.983 76 S CB -0.604 62.633 63.200 0.063 0.000 0.803 76 S HN 0.465 nan 8.310 nan 0.000 0.480 77 L N 0.451 121.613 121.223 -0.102 0.000 2.109 77 L HA 0.039 4.379 4.340 0.001 0.000 0.207 77 L C 2.598 179.458 176.870 -0.018 0.000 1.086 77 L CA 0.897 55.678 54.840 -0.098 0.000 0.760 77 L CB -0.620 41.328 42.059 -0.184 0.000 0.910 77 L HN 0.328 nan 8.230 nan 0.000 0.437 78 L N -0.343 120.879 121.223 -0.002 0.000 2.046 78 L HA -0.216 4.124 4.340 0.001 0.000 0.208 78 L C 2.462 179.354 176.870 0.036 0.000 1.077 78 L CA 1.344 56.213 54.840 0.049 0.000 0.747 78 L CB -0.326 41.766 42.059 0.054 0.000 0.896 78 L HN 0.182 nan 8.230 nan 0.000 0.432 79 I N -0.519 120.057 120.570 0.009 0.000 2.252 79 I HA -0.288 3.883 4.170 0.001 0.000 0.245 79 I C 2.423 178.537 176.117 -0.005 0.000 1.102 79 I CA 1.289 62.593 61.300 0.007 0.000 1.385 79 I CB -0.386 37.643 38.000 0.047 0.000 1.064 79 I HN 0.341 nan 8.210 nan 0.000 0.414 80 D N 1.027 121.428 120.400 0.002 0.000 2.123 80 D HA -0.240 4.400 4.640 0.001 0.000 0.196 80 D C 1.495 177.796 176.300 0.000 0.000 0.992 80 D CA 1.583 55.583 54.000 -0.000 0.000 0.833 80 D CB -0.008 40.793 40.800 0.002 0.000 0.954 80 D HN 0.302 nan 8.370 nan 0.000 0.455 81 D N 0.286 120.699 120.400 0.022 0.000 2.144 81 D HA -0.091 4.549 4.640 0.001 0.000 0.200 81 D C 2.323 178.574 176.300 -0.082 0.000 0.978 81 D CA 0.393 54.431 54.000 0.063 0.000 0.833 81 D CB -0.194 40.715 40.800 0.183 0.000 0.961 81 D HN 0.407 nan 8.370 nan 0.000 0.470 82 I N 1.181 121.595 120.570 -0.260 0.000 2.202 82 I HA -0.220 3.950 4.170 0.001 0.000 0.242 82 I C 2.229 178.207 176.117 -0.231 0.000 1.091 82 I CA 1.088 62.080 61.300 -0.513 0.000 1.368 82 I CB -0.164 37.638 38.000 -0.329 0.000 1.058 82 I HN -0.060 nan 8.210 nan 0.000 0.410 83 E N 0.531 120.664 120.200 -0.113 0.000 2.153 83 E HA -0.219 4.131 4.350 0.001 0.000 0.194 83 E C 0.886 177.462 176.600 -0.039 0.000 0.988 83 E CA 1.169 57.536 56.400 -0.056 0.000 0.811 83 E CB -0.025 29.661 29.700 -0.023 0.000 0.746 83 E HN 0.502 nan 8.360 nan 0.000 0.466 84 D N -0.219 120.163 120.400 -0.030 0.000 2.369 84 D HA -0.007 4.634 4.640 0.001 0.000 0.211 84 D C -0.045 176.254 176.300 -0.001 0.000 1.077 84 D CA -0.002 53.995 54.000 -0.004 0.000 0.842 84 D CB 0.070 40.882 40.800 0.020 0.000 0.947 84 D HN -0.024 nan 8.370 nan 0.000 0.509 85 N N 0.680 119.366 118.700 -0.025 0.000 2.727 85 N HA -0.218 4.523 4.740 0.001 0.000 0.249 85 N C -0.711 174.849 175.510 0.084 0.000 1.048 85 N CA 0.656 53.719 53.050 0.021 0.000 0.714 85 N CB -1.075 37.416 38.487 0.006 0.000 0.959 85 N HN 0.248 nan 8.380 nan 0.000 0.544 86 A N 0.658 123.554 122.820 0.127 0.000 2.366 86 A HA 0.478 4.798 4.320 0.001 0.000 0.272 86 A C -0.781 176.864 177.584 0.102 0.000 1.135 86 A CA -0.699 51.398 52.037 0.099 0.000 0.804 86 A CB 0.717 19.772 19.000 0.092 0.000 1.064 86 A HN 0.295 nan 8.150 nan 0.000 0.499 87 P HA 0.147 nan 4.420 nan 0.000 0.239 87 P C -0.133 177.120 177.300 -0.078 0.000 1.188 87 P CA 0.612 63.669 63.100 -0.070 0.000 0.794 87 P CB 0.289 31.928 31.700 -0.102 0.000 0.937 88 L N -0.530 120.665 121.223 -0.048 0.000 2.393 88 L HA 0.632 4.973 4.340 0.001 0.000 0.260 88 L C -0.220 176.665 176.870 0.026 0.000 1.002 88 L CA -1.117 53.709 54.840 -0.023 0.000 0.818 88 L CB 2.661 44.688 42.059 -0.054 0.000 1.369 88 L HN -0.288 nan 8.230 nan 0.000 0.412 89 R N 1.830 122.355 120.500 0.042 0.000 2.569 89 R HA 0.487 4.828 4.340 0.001 0.000 0.293 89 R C -0.873 175.455 176.300 0.047 0.000 1.186 89 R CA -0.685 55.447 56.100 0.053 0.000 0.956 89 R CB 0.726 31.061 30.300 0.058 0.000 1.196 89 R HN 0.467 nan 8.270 nan 0.000 0.444 90 R N 3.493 124.027 120.500 0.057 0.000 3.332 90 R HA -0.140 4.201 4.340 0.001 0.000 0.263 90 R C 0.897 177.227 176.300 0.049 0.000 1.053 90 R CA 1.394 57.524 56.100 0.050 0.000 0.705 90 R CB -2.041 28.276 30.300 0.030 0.000 1.166 90 R HN 1.384 nan 8.270 nan 0.000 0.427 91 G N -1.483 107.361 108.800 0.072 0.000 2.196 91 G HA2 -0.421 3.539 3.960 0.001 0.000 0.268 91 G HA3 -0.421 3.539 3.960 0.001 0.000 0.268 91 G C 0.139 175.068 174.900 0.048 0.000 0.975 91 G CA 0.799 45.945 45.100 0.077 0.000 0.648 91 G HN 0.629 nan 8.290 nan 0.000 0.538 92 Q N 0.214 120.036 119.800 0.036 0.000 2.257 92 Q HA 0.591 4.931 4.340 0.001 0.000 0.262 92 Q C -0.042 175.989 176.000 0.051 0.000 0.997 92 Q CA -0.384 55.441 55.803 0.037 0.000 0.873 92 Q CB 1.077 29.822 28.738 0.011 0.000 1.312 92 Q HN 0.170 nan 8.270 nan 0.000 0.450 93 T N 2.689 117.278 114.554 0.058 0.000 2.902 93 T HA 0.068 4.418 4.350 0.001 0.000 0.301 93 T C -0.160 174.580 174.700 0.066 0.000 1.012 93 T CA 0.096 62.201 62.100 0.008 0.000 1.151 93 T CB 0.208 69.048 68.868 -0.045 0.000 0.946 93 T HN 0.703 nan 8.240 nan 0.000 0.542 94 T N 1.854 116.380 114.554 -0.046 0.000 2.926 94 T HA 0.112 4.462 4.350 0.001 0.000 0.307 94 T C 1.647 176.260 174.700 -0.145 0.000 1.059 94 T CA -0.782 61.297 62.100 -0.035 0.000 1.122 94 T CB 0.723 69.539 68.868 -0.088 0.000 0.972 94 T HN 0.412 nan 8.240 nan 0.000 0.545 95 S N 1.768 117.487 115.700 0.032 0.000 2.380 95 S HA -0.236 4.234 4.470 0.001 0.000 0.229 95 S C 1.798 176.432 174.600 0.057 0.000 1.043 95 S CA 2.047 60.279 58.200 0.053 0.000 1.038 95 S CB -0.774 62.595 63.200 0.283 0.000 0.872 95 S HN 1.080 nan 8.310 nan 0.000 0.456 96 H N 0.550 119.660 119.070 0.067 0.000 2.457 96 H HA 0.159 4.715 4.556 0.001 0.000 0.294 96 H C 1.696 177.015 175.328 -0.015 0.000 1.064 96 H CA 1.014 57.093 56.048 0.050 0.000 1.330 96 H CB -0.477 29.309 29.762 0.039 0.000 1.395 96 H HN 0.306 nan 8.280 nan 0.000 0.541 97 L N -0.139 120.785 121.223 -0.498 0.000 2.240 97 L HA 0.015 4.356 4.340 0.001 0.000 0.211 97 L C 1.966 178.667 176.870 -0.282 0.000 1.106 97 L CA 0.751 55.392 54.840 -0.332 0.000 0.793 97 L CB -0.142 41.698 42.059 -0.365 0.000 0.927 97 L HN 0.360 nan 8.230 nan 0.000 0.446 98 I N -1.410 118.922 120.570 -0.397 0.000 2.385 98 I HA -0.146 4.024 4.170 0.001 0.000 0.244 98 I C 1.545 177.272 176.117 -0.649 0.000 1.089 98 I CA 1.148 62.072 61.300 -0.627 0.000 1.410 98 I CB -0.040 37.315 38.000 -1.076 0.000 1.117 98 I HN 0.033 nan 8.210 nan 0.000 0.429 99 F N 1.157 121.044 119.950 -0.106 0.000 2.727 99 F HA 0.449 4.977 4.527 0.002 0.000 0.302 99 F C 1.195 176.989 175.800 -0.011 0.000 1.097 99 F CA 0.100 58.072 58.000 -0.047 0.000 1.330 99 F CB -0.269 38.712 39.000 -0.032 0.000 1.084 99 F HN 0.109 nan 8.300 nan 0.000 0.578 100 G N 0.259 109.119 108.800 0.100 0.000 2.730 100 G HA2 -0.170 3.790 3.960 0.001 0.000 0.686 100 G HA3 -0.170 3.790 3.960 0.001 0.000 0.686 100 G C 0.385 175.377 174.900 0.154 0.000 1.343 100 G CA -0.595 44.567 45.100 0.103 0.000 0.826 100 G HN -0.081 nan 8.290 nan 0.000 0.582 101 V N 2.152 122.143 119.914 0.128 0.000 2.261 101 V HA -0.101 4.020 4.120 0.001 0.000 0.246 101 V C 0.664 176.803 176.094 0.074 0.000 1.047 101 V CA 2.966 65.325 62.300 0.099 0.000 1.015 101 V CB -1.185 30.665 31.823 0.045 0.000 0.642 101 V HN 0.667 nan 8.190 nan 0.000 0.446 102 P HA -0.155 nan 4.420 nan 0.000 0.214 102 P C 2.018 179.352 177.300 0.058 0.000 1.169 102 P CA 2.136 65.266 63.100 0.051 0.000 0.908 102 P CB -0.129 31.599 31.700 0.045 0.000 0.791 103 S N -1.331 114.415 115.700 0.076 0.000 2.383 103 S HA -0.117 4.353 4.470 0.001 0.000 0.227 103 S C 1.916 176.556 174.600 0.066 0.000 1.026 103 S CA 1.797 60.039 58.200 0.070 0.000 0.981 103 S CB -1.371 61.886 63.200 0.095 0.000 0.818 103 S HN 0.287 nan 8.310 nan 0.000 0.472 104 T N 2.551 117.166 114.554 0.102 0.000 2.777 104 T HA 0.067 4.417 4.350 0.001 0.000 0.266 104 T C 1.739 176.475 174.700 0.059 0.000 1.040 104 T CA 0.940 63.100 62.100 0.100 0.000 1.141 104 T CB -0.354 68.616 68.868 0.170 0.000 0.868 104 T HN 0.305 nan 8.240 nan 0.000 0.444 105 I N 1.691 122.290 120.570 0.048 0.000 2.179 105 I HA -0.194 3.977 4.170 0.001 0.000 0.242 105 I C 2.747 178.880 176.117 0.027 0.000 1.088 105 I CA 1.091 62.407 61.300 0.027 0.000 1.357 105 I CB -0.409 37.610 38.000 0.032 0.000 1.051 105 I HN 0.300 nan 8.210 nan 0.000 0.409 106 N N 0.446 119.170 118.700 0.040 0.000 2.120 106 N HA -0.170 4.570 4.740 0.001 0.000 0.188 106 N C 1.760 177.309 175.510 0.065 0.000 1.024 106 N CA 2.038 55.116 53.050 0.047 0.000 0.852 106 N CB 0.047 38.550 38.487 0.027 0.000 1.003 106 N HN 0.273 nan 8.380 nan 0.000 0.424 107 T N 0.829 115.416 114.554 0.055 0.000 2.737 107 T HA 0.000 4.351 4.350 0.001 0.000 0.265 107 T C 1.974 176.723 174.700 0.082 0.000 1.038 107 T CA 1.283 63.441 62.100 0.096 0.000 1.144 107 T CB -0.400 68.508 68.868 0.066 0.000 0.866 107 T HN 0.424 nan 8.240 nan 0.000 0.434 108 A N 2.100 124.919 122.820 -0.002 0.000 1.883 108 A HA -0.186 4.134 4.320 0.001 0.000 0.217 108 A C 2.146 179.493 177.584 -0.394 0.000 1.186 108 A CA 1.986 53.929 52.037 -0.156 0.000 0.624 108 A CB -0.936 17.962 19.000 -0.169 0.000 0.822 108 A HN 0.625 nan 8.150 nan 0.000 0.444 109 N N -1.991 116.570 118.700 -0.232 0.000 2.120 109 N HA -0.201 4.540 4.740 0.001 0.000 0.188 109 N C 1.784 177.357 175.510 0.104 0.000 1.024 109 N CA 1.478 54.442 53.050 -0.144 0.000 0.852 109 N CB -0.315 38.248 38.487 0.126 0.000 1.003 109 N HN 0.618 nan 8.380 nan 0.000 0.424 110 Y N 1.768 122.091 120.300 0.039 0.000 2.165 110 Y HA -0.161 4.389 4.550 0.000 0.000 0.286 110 Y C 2.135 178.064 175.900 0.048 0.000 1.155 110 Y CA 1.416 59.577 58.100 0.101 0.000 1.164 110 Y CB -0.167 38.298 38.460 0.008 0.000 0.978 110 Y HN 0.029 nan 8.280 nan 0.000 0.513 111 M N -1.024 118.489 119.600 -0.146 0.000 2.374 111 M HA -0.222 4.258 4.480 0.001 0.000 0.264 111 M C 1.943 178.175 176.300 -0.113 0.000 1.067 111 M CA 1.217 56.348 55.300 -0.281 0.000 1.103 111 M CB -1.581 30.844 32.600 -0.292 0.000 1.402 111 M HN 0.471 nan 8.290 nan 0.000 0.444 112 Y N -0.987 119.222 120.300 -0.151 0.000 2.200 112 Y HA -0.224 4.327 4.550 0.001 0.000 0.290 112 Y C 2.192 177.926 175.900 -0.276 0.000 1.137 112 Y CA 0.768 58.731 58.100 -0.228 0.000 1.163 112 Y CB -0.386 37.810 38.460 -0.441 0.000 0.988 112 Y HN 0.052 nan 8.280 nan 0.000 0.518 113 F N -0.558 119.472 119.950 0.133 0.000 2.325 113 F HA -0.135 4.392 4.527 0.000 0.000 0.299 113 F C 2.229 177.948 175.800 -0.133 0.000 1.090 113 F CA 0.549 58.554 58.000 0.009 0.000 1.392 113 F CB -0.131 38.866 39.000 -0.006 0.000 1.053 113 F HN -0.113 nan 8.300 nan 0.000 0.521 114 R N 0.399 120.814 120.500 -0.143 0.000 2.090 114 R HA -0.007 4.333 4.340 0.001 0.000 0.228 114 R C 2.374 178.605 176.300 -0.114 0.000 1.110 114 R CA 1.079 57.040 56.100 -0.231 0.000 0.973 114 R CB -1.130 28.920 30.300 -0.416 0.000 0.869 114 R HN 0.298 nan 8.270 nan 0.000 0.440 115 A N 1.419 124.212 122.820 -0.045 0.000 1.877 115 A HA -0.178 4.143 4.320 0.001 0.000 0.216 115 A C 2.250 179.779 177.584 -0.092 0.000 1.186 115 A CA 1.624 53.680 52.037 0.033 0.000 0.620 115 A CB -0.520 18.608 19.000 0.213 0.000 0.822 115 A HN 0.315 nan 8.150 nan 0.000 0.443 116 M N -0.939 118.545 119.600 -0.193 0.000 2.149 116 M HA -0.268 4.212 4.480 0.001 0.000 0.261 116 M C 2.304 178.406 176.300 -0.330 0.000 1.064 116 M CA 2.335 57.259 55.300 -0.627 0.000 1.102 116 M CB -0.233 32.165 32.600 -0.337 0.000 1.369 116 M HN 0.589 nan 8.290 nan 0.000 0.408 117 Q N 0.228 119.942 119.800 -0.143 0.000 2.170 117 Q HA -0.137 4.203 4.340 0.001 0.000 0.203 117 Q C 1.955 177.910 176.000 -0.074 0.000 0.976 117 Q CA 1.370 57.123 55.803 -0.083 0.000 0.858 117 Q CB -0.116 28.586 28.738 -0.059 0.000 0.907 117 Q HN 0.619 nan 8.270 nan 0.000 0.433 118 L N -0.483 120.691 121.223 -0.082 0.000 2.201 118 L HA -0.157 4.183 4.340 0.001 0.000 0.212 118 L C 2.192 179.038 176.870 -0.040 0.000 1.105 118 L CA 0.402 55.213 54.840 -0.048 0.000 0.775 118 L CB -0.229 41.810 42.059 -0.032 0.000 0.913 118 L HN 0.139 nan 8.230 nan 0.000 0.440 119 V N -0.230 119.625 119.914 -0.098 0.000 2.343 119 V HA -0.278 3.843 4.120 0.001 0.000 0.247 119 V C 2.466 178.601 176.094 0.067 0.000 1.051 119 V CA 2.112 64.367 62.300 -0.075 0.000 1.036 119 V CB -0.582 31.080 31.823 -0.270 0.000 0.654 119 V HN 0.569 nan 8.190 nan 0.000 0.451 120 S N -0.237 115.535 115.700 0.120 0.000 2.500 120 S HA -0.206 4.265 4.470 0.001 0.000 0.239 120 S C 1.578 176.202 174.600 0.040 0.000 0.989 120 S CA 0.942 59.261 58.200 0.199 0.000 0.951 120 S CB -0.343 62.896 63.200 0.064 0.000 0.759 120 S HN 0.745 nan 8.310 nan 0.000 0.523 121 Q N 0.091 119.905 119.800 0.023 0.000 2.319 121 Q HA 0.364 4.705 4.340 0.001 0.000 0.202 121 Q C 1.439 177.450 176.000 0.019 0.000 0.896 121 Q CA -0.104 55.701 55.803 0.003 0.000 0.942 121 Q CB -0.101 28.633 28.738 -0.007 0.000 1.083 121 Q HN 0.499 nan 8.270 nan 0.000 0.510 122 L N -0.468 120.781 121.223 0.043 0.000 2.156 122 L HA 0.034 4.374 4.340 0.001 0.000 0.208 122 L C 1.075 177.973 176.870 0.046 0.000 1.095 122 L CA 0.818 55.684 54.840 0.044 0.000 0.770 122 L CB 0.375 42.465 42.059 0.053 0.000 0.914 122 L HN 0.058 nan 8.230 nan 0.000 0.439 123 T N -2.594 111.998 114.554 0.063 0.000 2.830 123 T HA 0.229 4.579 4.350 0.001 0.000 0.322 123 T C 0.402 175.117 174.700 0.025 0.000 1.501 123 T CA 0.023 62.154 62.100 0.051 0.000 1.036 123 T CB 1.559 70.472 68.868 0.076 0.000 1.379 123 T HN 0.103 nan 8.240 nan 0.000 0.493 124 T N -0.450 114.103 114.554 -0.002 0.000 3.001 124 T HA 0.352 4.703 4.350 0.001 0.000 0.251 124 T C 0.404 175.093 174.700 -0.018 0.000 1.040 124 T CA -0.220 61.851 62.100 -0.048 0.000 0.985 124 T CB -0.040 68.798 68.868 -0.050 0.000 1.011 124 T HN 0.478 nan 8.240 nan 0.000 0.509 125 K N 2.644 123.060 120.400 0.026 0.000 2.419 125 K HA 0.089 4.409 4.320 0.001 0.000 0.282 125 K C 0.755 177.406 176.600 0.085 0.000 1.056 125 K CA -0.129 56.184 56.287 0.044 0.000 1.035 125 K CB 0.735 33.264 32.500 0.048 0.000 0.921 125 K HN 0.244 nan 8.250 nan 0.000 0.472 126 E N 2.829 123.070 120.200 0.068 0.000 2.160 126 E HA -0.149 4.202 4.350 0.001 0.000 0.195 126 E C -0.939 175.768 176.600 0.178 0.000 0.991 126 E CA 1.431 57.899 56.400 0.113 0.000 0.810 126 E CB -0.757 28.983 29.700 0.065 0.000 0.742 126 E HN 0.536 nan 8.360 nan 0.000 0.466 127 P HA -0.091 nan 4.420 nan 0.000 0.213 127 P C 1.757 179.135 177.300 0.130 0.000 1.169 127 P CA 0.472 63.644 63.100 0.120 0.000 0.885 127 P CB -0.081 31.660 31.700 0.069 0.000 0.779 128 L N -1.035 120.253 121.223 0.109 0.000 2.043 128 L HA -0.207 4.133 4.340 0.001 0.000 0.212 128 L C 2.406 179.353 176.870 0.127 0.000 1.075 128 L CA 1.827 56.724 54.840 0.094 0.000 0.752 128 L CB -1.659 40.449 42.059 0.080 0.000 0.891 128 L HN -0.063 nan 8.230 nan 0.000 0.432 129 Y N -0.287 120.043 120.300 0.050 0.000 2.114 129 Y HA -0.359 4.191 4.550 0.001 0.000 0.282 129 Y C 2.760 178.712 175.900 0.087 0.000 1.165 129 Y CA 2.359 60.483 58.100 0.040 0.000 1.148 129 Y CB -0.814 37.653 38.460 0.011 0.000 0.972 129 Y HN 0.523 nan 8.280 nan 0.000 0.504 130 H N -0.505 118.499 119.070 -0.109 0.000 2.387 130 H HA -0.165 4.391 4.556 0.001 0.000 0.299 130 H C 1.811 177.039 175.328 -0.167 0.000 1.099 130 H CA 1.175 57.108 56.048 -0.192 0.000 1.315 130 H CB 0.073 29.827 29.762 -0.014 0.000 1.380 130 H HN 0.370 nan 8.280 nan 0.000 0.513 131 N N 0.487 119.212 118.700 0.041 0.000 2.120 131 N HA -0.135 4.606 4.740 0.001 0.000 0.188 131 N C 2.082 177.582 175.510 -0.018 0.000 1.024 131 N CA 0.939 53.982 53.050 -0.013 0.000 0.852 131 N CB -0.273 38.212 38.487 -0.004 0.000 1.003 131 N HN 0.394 nan 8.380 nan 0.000 0.424 132 L N 0.422 121.616 121.223 -0.049 0.000 2.017 132 L HA -0.107 4.233 4.340 0.001 0.000 0.208 132 L C 2.033 178.858 176.870 -0.074 0.000 1.073 132 L CA 0.705 55.515 54.840 -0.051 0.000 0.745 132 L CB -0.397 41.631 42.059 -0.051 0.000 0.894 132 L HN 0.095 nan 8.230 nan 0.000 0.432 133 I N 0.062 120.491 120.570 -0.235 0.000 2.163 133 I HA -0.265 3.905 4.170 0.001 0.000 0.243 133 I C 2.614 178.750 176.117 0.033 0.000 1.085 133 I CA 1.756 62.942 61.300 -0.190 0.000 1.347 133 I CB -1.483 36.290 38.000 -0.379 0.000 1.044 133 I HN 0.267 nan 8.210 nan 0.000 0.408 134 T N 1.512 116.097 114.554 0.051 0.000 2.699 134 T HA -0.167 4.184 4.350 0.001 0.000 0.268 134 T C 2.085 176.817 174.700 0.054 0.000 1.036 134 T CA 1.435 63.575 62.100 0.067 0.000 1.147 134 T CB -0.301 68.584 68.868 0.028 0.000 0.862 134 T HN 0.227 nan 8.240 nan 0.000 0.446 135 I N 0.092 120.692 120.570 0.050 0.000 2.179 135 I HA -0.153 4.018 4.170 0.001 0.000 0.242 135 I C 2.099 178.253 176.117 0.061 0.000 1.088 135 I CA 1.405 62.731 61.300 0.044 0.000 1.357 135 I CB -0.395 37.632 38.000 0.045 0.000 1.051 135 I HN 0.163 nan 8.210 nan 0.000 0.409 136 F N 1.974 121.892 119.950 -0.053 0.000 2.065 136 F HA -0.338 4.190 4.527 0.001 0.000 0.298 136 F C 2.451 178.211 175.800 -0.068 0.000 1.112 136 F CA 2.111 60.073 58.000 -0.063 0.000 1.212 136 F CB -0.455 38.502 39.000 -0.072 0.000 0.975 136 F HN 0.076 nan 8.300 nan 0.000 0.476 137 N N 0.720 119.520 118.700 0.167 0.000 2.043 137 N HA -0.216 4.524 4.740 0.001 0.000 0.193 137 N C 1.829 177.307 175.510 -0.054 0.000 1.037 137 N CA 2.088 55.175 53.050 0.060 0.000 0.851 137 N CB -0.418 38.130 38.487 0.102 0.000 1.027 137 N HN 0.513 nan 8.380 nan 0.000 0.422 138 E N -0.024 120.159 120.200 -0.030 0.000 2.058 138 E HA -0.160 4.191 4.350 0.001 0.000 0.194 138 E C 1.600 178.155 176.600 -0.076 0.000 0.997 138 E CA 0.972 57.347 56.400 -0.041 0.000 0.801 138 E CB -0.007 29.680 29.700 -0.021 0.000 0.746 138 E HN 0.381 nan 8.360 nan 0.000 0.450 139 E N 0.383 120.516 120.200 -0.111 0.000 2.208 139 E HA -0.094 4.256 4.350 0.001 0.000 0.193 139 E C 2.152 178.643 176.600 -0.181 0.000 0.988 139 E CA 0.449 56.771 56.400 -0.130 0.000 0.828 139 E CB -0.033 29.593 29.700 -0.123 0.000 0.763 139 E HN 0.278 nan 8.360 nan 0.000 0.478 140 L N 0.341 121.403 121.223 -0.268 0.000 2.109 140 L HA -0.065 4.276 4.340 0.001 0.000 0.207 140 L C 2.404 179.262 176.870 -0.020 0.000 1.086 140 L CA 0.637 55.330 54.840 -0.246 0.000 0.760 140 L CB -0.179 41.603 42.059 -0.462 0.000 0.910 140 L HN 0.068 nan 8.230 nan 0.000 0.437 141 I N -0.123 120.403 120.570 -0.072 0.000 2.226 141 I HA -0.317 3.853 4.170 0.001 0.000 0.245 141 I C 2.088 178.198 176.117 -0.010 0.000 1.100 141 I CA 1.116 62.398 61.300 -0.030 0.000 1.374 141 I CB -0.261 37.712 38.000 -0.046 0.000 1.057 141 I HN 0.373 nan 8.210 nan 0.000 0.413 142 N N 0.626 119.299 118.700 -0.045 0.000 2.142 142 N HA -0.176 4.564 4.740 0.001 0.000 0.186 142 N C 1.744 177.210 175.510 -0.073 0.000 1.023 142 N CA 1.065 54.084 53.050 -0.052 0.000 0.852 142 N CB -0.524 37.931 38.487 -0.053 0.000 0.998 142 N HN 0.218 nan 8.380 nan 0.000 0.424 143 L N 1.160 122.320 121.223 -0.105 0.000 2.042 143 L HA -0.147 4.193 4.340 0.001 0.000 0.210 143 L C 2.021 178.730 176.870 -0.267 0.000 1.076 143 L CA 1.847 56.573 54.840 -0.189 0.000 0.749 143 L CB -0.742 41.157 42.059 -0.266 0.000 0.893 143 L HN 0.292 nan 8.230 nan 0.000 0.432 144 H N -0.395 118.603 119.070 -0.121 0.000 2.395 144 H HA -0.027 4.529 4.556 0.001 0.000 0.299 144 H C 2.354 177.629 175.328 -0.088 0.000 1.070 144 H CA 1.452 57.443 56.048 -0.095 0.000 1.356 144 H CB 0.077 29.780 29.762 -0.097 0.000 1.401 144 H HN 0.414 nan 8.280 nan 0.000 0.524 145 R N 0.099 120.596 120.500 -0.005 0.000 2.073 145 R HA -0.083 4.258 4.340 0.001 0.000 0.234 145 R C 2.693 178.924 176.300 -0.114 0.000 1.134 145 R CA 1.037 57.105 56.100 -0.054 0.000 0.952 145 R CB -0.421 29.845 30.300 -0.056 0.000 0.850 145 R HN 0.259 nan 8.270 nan 0.000 0.433 146 G N 0.620 109.347 108.800 -0.122 0.000 2.404 146 G HA2 -0.334 3.627 3.960 0.001 0.000 0.215 146 G HA3 -0.334 3.627 3.960 0.001 0.000 0.215 146 G C 1.388 176.181 174.900 -0.179 0.000 1.174 146 G CA 0.671 45.677 45.100 -0.157 0.000 0.780 146 G HN 0.246 nan 8.290 nan 0.000 0.537 147 Q N 0.735 120.446 119.800 -0.149 0.000 2.124 147 Q HA 0.052 4.393 4.340 0.001 0.000 0.202 147 Q C 2.502 178.438 176.000 -0.107 0.000 0.977 147 Q CA 2.069 57.796 55.803 -0.126 0.000 0.850 147 Q CB -0.928 27.724 28.738 -0.144 0.000 0.901 147 Q HN 0.316 nan 8.270 nan 0.000 0.429 148 G N 0.393 109.136 108.800 -0.095 0.000 2.418 148 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 148 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 148 G C 1.302 176.124 174.900 -0.130 0.000 1.158 148 G CA 0.906 45.969 45.100 -0.061 0.000 0.771 148 G HN 0.407 nan 8.290 nan 0.000 0.545 149 L N 0.653 121.701 121.223 -0.292 0.000 2.109 149 L HA 0.081 4.421 4.340 0.001 0.000 0.207 149 L C 2.213 178.609 176.870 -0.790 0.000 1.086 149 L CA 2.068 56.544 54.840 -0.608 0.000 0.760 149 L CB -0.458 41.165 42.059 -0.726 0.000 0.910 149 L HN 0.173 nan 8.230 nan 0.000 0.437 150 D N -0.531 119.583 120.400 -0.477 0.000 2.097 150 D HA -0.200 4.440 4.640 0.001 0.000 0.195 150 D C 2.225 178.502 176.300 -0.038 0.000 0.989 150 D CA 1.633 55.495 54.000 -0.229 0.000 0.827 150 D CB -0.070 40.675 40.800 -0.092 0.000 0.966 150 D HN 0.421 nan 8.370 nan 0.000 0.456 151 I N -0.450 120.103 120.570 -0.029 0.000 2.179 151 I HA -0.275 3.895 4.170 0.001 0.000 0.242 151 I C 2.138 178.318 176.117 0.105 0.000 1.088 151 I CA 0.963 62.288 61.300 0.042 0.000 1.357 151 I CB -0.396 37.624 38.000 0.033 0.000 1.051 151 I HN 0.118 nan 8.210 nan 0.000 0.409 152 Y N 1.036 121.332 120.300 -0.005 0.000 2.097 152 Y HA -0.318 4.233 4.550 0.001 0.000 0.282 152 Y C 2.363 178.439 175.900 0.294 0.000 1.152 152 Y CA 1.868 60.046 58.100 0.131 0.000 1.136 152 Y CB -0.258 38.154 38.460 -0.079 0.000 0.975 152 Y HN 0.114 nan 8.280 nan 0.000 0.498 153 W N 0.768 122.300 121.300 0.386 0.000 2.342 153 W HA -0.180 4.480 4.660 0.000 0.000 0.297 153 W C 2.719 179.327 176.519 0.148 0.000 1.213 153 W CA 1.622 59.132 57.345 0.274 0.000 1.251 153 W CB -1.197 28.383 29.460 0.201 0.000 1.136 153 W HN 0.177 nan 8.180 nan 0.000 0.526 154 R N 0.570 121.264 120.500 0.324 0.000 2.070 154 R HA -0.149 4.192 4.340 0.001 0.000 0.233 154 R C 1.548 177.894 176.300 0.077 0.000 1.137 154 R CA 2.097 58.301 56.100 0.174 0.000 0.945 154 R CB -0.492 29.882 30.300 0.124 0.000 0.845 154 R HN -0.075 nan 8.270 nan 0.000 0.430 155 D N -0.702 119.712 120.400 0.023 0.000 2.317 155 D HA -0.084 4.556 4.640 0.001 0.000 0.211 155 D C 0.985 177.095 176.300 -0.316 0.000 0.966 155 D CA 0.908 54.823 54.000 -0.143 0.000 0.876 155 D CB 0.074 40.765 40.800 -0.183 0.000 0.927 155 D HN 0.252 nan 8.370 nan 0.000 0.519 156 F N -0.040 119.795 119.950 -0.193 0.000 2.695 156 F HA 0.191 4.719 4.527 0.001 0.000 0.303 156 F C 0.745 176.524 175.800 -0.036 0.000 1.091 156 F CA -0.688 57.203 58.000 -0.182 0.000 1.300 156 F CB 0.284 39.057 39.000 -0.377 0.000 1.071 156 F HN -0.164 nan 8.300 nan 0.000 0.578 157 L N 3.690 124.998 121.223 0.141 0.000 2.543 157 L HA 0.024 4.365 4.340 0.001 0.000 0.285 157 L C -1.515 175.389 176.870 0.056 0.000 1.236 157 L CA -0.692 54.212 54.840 0.107 0.000 0.871 157 L CB 0.203 42.306 42.059 0.073 0.000 1.121 157 L HN -0.127 nan 8.230 nan 0.000 0.501 158 P HA 0.043 nan 4.420 nan 0.000 0.243 158 P C 0.428 177.787 177.300 0.099 0.000 1.672 158 P CA -0.069 63.071 63.100 0.066 0.000 1.000 158 P CB 0.306 32.030 31.700 0.039 0.000 1.562 159 E N 0.698 120.990 120.200 0.153 0.000 2.077 159 E HA -0.068 4.282 4.350 0.001 0.000 0.193 159 E C 0.126 176.812 176.600 0.144 0.000 0.989 159 E CA 0.914 57.417 56.400 0.171 0.000 0.800 159 E CB 0.084 29.941 29.700 0.263 0.000 0.746 159 E HN 0.322 nan 8.360 nan 0.000 0.452 160 I N 1.466 122.136 120.570 0.166 0.000 2.499 160 I HA 0.301 4.471 4.170 0.001 0.000 0.288 160 I C -0.661 175.422 176.117 -0.057 0.000 1.048 160 I CA -0.599 60.747 61.300 0.077 0.000 1.062 160 I CB 2.099 40.199 38.000 0.166 0.000 1.238 160 I HN -0.034 nan 8.210 nan 0.000 0.426 161 I N 8.162 128.661 120.570 -0.118 0.000 2.328 161 I HA 0.311 4.482 4.170 0.001 0.000 0.287 161 I C -1.981 173.933 176.117 -0.338 0.000 1.012 161 I CA -1.746 59.444 61.300 -0.184 0.000 1.195 161 I CB 1.429 39.387 38.000 -0.070 0.000 1.350 161 I HN 0.279 nan 8.210 nan 0.000 0.464 162 P HA 0.150 nan 4.420 nan 0.000 0.274 162 P C -0.247 176.824 177.300 -0.382 0.000 1.237 162 P CA -0.189 62.486 63.100 -0.708 0.000 0.793 162 P CB 0.711 31.527 31.700 -1.474 0.000 0.977 163 T N -2.570 111.820 114.554 -0.272 0.000 2.881 163 T HA 0.137 4.487 4.350 0.001 0.000 0.278 163 T C 1.293 175.912 174.700 -0.134 0.000 0.982 163 T CA -0.487 61.508 62.100 -0.175 0.000 0.989 163 T CB 0.908 69.715 68.868 -0.101 0.000 1.058 163 T HN 0.486 nan 8.240 nan 0.000 0.529 164 Q N -0.106 119.611 119.800 -0.137 0.000 2.135 164 Q HA -0.212 4.128 4.340 0.001 0.000 0.204 164 Q C 2.134 178.195 176.000 0.101 0.000 0.981 164 Q CA 1.963 57.698 55.803 -0.114 0.000 0.856 164 Q CB -0.129 28.522 28.738 -0.145 0.000 0.902 164 Q HN 0.914 nan 8.270 nan 0.000 0.425 165 E N -0.130 120.119 120.200 0.082 0.000 2.051 165 E HA -0.216 4.134 4.350 0.001 0.000 0.192 165 E C 2.015 178.707 176.600 0.154 0.000 0.991 165 E CA 1.291 57.767 56.400 0.127 0.000 0.799 165 E CB -0.099 29.651 29.700 0.084 0.000 0.748 165 E HN 0.429 nan 8.360 nan 0.000 0.449 166 M N -0.234 119.433 119.600 0.113 0.000 2.117 166 M HA -0.175 4.305 4.480 0.001 0.000 0.262 166 M C 2.276 178.786 176.300 0.350 0.000 1.065 166 M CA 1.682 57.092 55.300 0.183 0.000 1.114 166 M CB -0.468 32.155 32.600 0.038 0.000 1.361 166 M HN 0.263 nan 8.290 nan 0.000 0.408 167 Y N 1.128 121.512 120.300 0.139 0.000 2.165 167 Y HA -0.236 4.314 4.550 0.000 0.000 0.286 167 Y C 1.879 177.939 175.900 0.267 0.000 1.155 167 Y CA 1.647 59.906 58.100 0.266 0.000 1.164 167 Y CB -0.183 38.344 38.460 0.112 0.000 0.978 167 Y HN 0.087 nan 8.280 nan 0.000 0.513 168 L N 0.247 121.697 121.223 0.377 0.000 2.093 168 L HA -0.242 4.098 4.340 0.001 0.000 0.208 168 L C 2.087 179.021 176.870 0.107 0.000 1.085 168 L CA 1.223 56.222 54.840 0.265 0.000 0.755 168 L CB -0.598 41.650 42.059 0.315 0.000 0.904 168 L HN 0.301 nan 8.230 nan 0.000 0.435 169 N N -0.342 118.433 118.700 0.126 0.000 2.188 169 N HA -0.183 4.557 4.740 0.001 0.000 0.184 169 N C 1.828 177.352 175.510 0.024 0.000 1.018 169 N CA 1.084 54.180 53.050 0.077 0.000 0.858 169 N CB -0.245 38.300 38.487 0.096 0.000 0.989 169 N HN 0.251 nan 8.380 nan 0.000 0.426 170 M N 0.942 120.562 119.600 0.033 0.000 2.117 170 M HA -0.080 4.400 4.480 0.001 0.000 0.262 170 M C 1.582 177.798 176.300 -0.140 0.000 1.065 170 M CA 1.212 56.459 55.300 -0.088 0.000 1.114 170 M CB -0.410 32.123 32.600 -0.111 0.000 1.361 170 M HN -0.125 nan 8.290 nan 0.000 0.408 171 V N 0.760 120.559 119.914 -0.192 0.000 2.427 171 V HA -0.290 3.831 4.120 0.001 0.000 0.248 171 V C 2.704 178.757 176.094 -0.068 0.000 1.051 171 V CA 1.310 63.513 62.300 -0.161 0.000 1.048 171 V CB -0.651 31.048 31.823 -0.206 0.000 0.666 171 V HN 0.458 nan 8.190 nan 0.000 0.456 172 M N -0.216 119.357 119.600 -0.044 0.000 2.108 172 M HA -0.158 4.323 4.480 0.001 0.000 0.261 172 M C 2.072 178.353 176.300 -0.032 0.000 1.066 172 M CA 1.676 56.958 55.300 -0.029 0.000 1.107 172 M CB -1.302 31.291 32.600 -0.011 0.000 1.356 172 M HN 0.471 nan 8.290 nan 0.000 0.406 173 N N -0.069 118.605 118.700 -0.045 0.000 2.092 173 N HA -0.133 4.608 4.740 0.001 0.000 0.189 173 N C 1.759 177.233 175.510 -0.060 0.000 1.040 173 N CA 1.055 54.072 53.050 -0.054 0.000 0.845 173 N CB -0.180 38.265 38.487 -0.070 0.000 1.017 173 N HN 0.370 nan 8.380 nan 0.000 0.426 174 K N 0.727 121.083 120.400 -0.074 0.000 1.963 174 K HA -0.071 4.250 4.320 0.001 0.000 0.216 174 K C 1.846 178.441 176.600 -0.008 0.000 1.045 174 K CA 1.816 58.063 56.287 -0.067 0.000 0.954 174 K CB -0.189 32.265 32.500 -0.077 0.000 0.732 174 K HN 0.038 nan 8.250 nan 0.000 0.442 175 T N -0.286 114.290 114.554 0.036 0.000 2.951 175 T HA -0.022 4.328 4.350 0.001 0.000 0.268 175 T C 1.697 176.517 174.700 0.200 0.000 1.073 175 T CA 1.026 63.212 62.100 0.142 0.000 1.134 175 T CB -0.187 68.786 68.868 0.175 0.000 0.884 175 T HN 0.536 nan 8.240 nan 0.000 0.479 176 G N 1.020 109.869 108.800 0.080 0.000 2.421 176 G HA2 0.076 4.036 3.960 0.001 0.000 0.217 176 G HA3 0.076 4.036 3.960 0.001 0.000 0.217 176 G C 1.689 176.650 174.900 0.103 0.000 1.143 176 G CA 0.717 45.864 45.100 0.079 0.000 0.784 176 G HN 0.528 nan 8.290 nan 0.000 0.541 177 G N 1.409 110.232 108.800 0.037 0.000 2.599 177 G HA2 -0.287 3.674 3.960 0.001 0.000 0.219 177 G HA3 -0.287 3.674 3.960 0.001 0.000 0.219 177 G C 1.723 176.612 174.900 -0.019 0.000 1.193 177 G CA 0.989 46.079 45.100 -0.016 0.000 0.778 177 G HN 0.415 nan 8.290 nan 0.000 0.589 178 L N -0.980 120.228 121.223 -0.025 0.000 2.217 178 L HA 0.122 4.463 4.340 0.001 0.000 0.211 178 L C 2.726 179.534 176.870 -0.103 0.000 1.107 178 L CA 0.261 55.044 54.840 -0.095 0.000 0.783 178 L CB -0.302 41.671 42.059 -0.143 0.000 0.919 178 L HN 0.154 nan 8.230 nan 0.000 0.442 179 F N 0.222 120.128 119.950 -0.075 0.000 2.084 179 F HA -0.150 4.378 4.527 0.000 0.000 0.296 179 F C 2.781 178.554 175.800 -0.045 0.000 1.111 179 F CA 1.323 59.281 58.000 -0.070 0.000 1.224 179 F CB -0.281 38.667 39.000 -0.087 0.000 0.991 179 F HN -0.126 nan 8.300 nan 0.000 0.471 180 R N -0.261 120.333 120.500 0.157 0.000 2.096 180 R HA -0.165 4.175 4.340 0.001 0.000 0.235 180 R C 2.100 178.422 176.300 0.037 0.000 1.127 180 R CA 1.160 57.306 56.100 0.076 0.000 0.968 180 R CB -0.761 29.564 30.300 0.043 0.000 0.861 180 R HN 0.224 nan 8.270 nan 0.000 0.440 181 L N 0.891 122.115 121.223 0.003 0.000 2.017 181 L HA -0.155 4.185 4.340 0.001 0.000 0.208 181 L C 1.831 178.706 176.870 0.008 0.000 1.073 181 L CA 2.036 56.866 54.840 -0.017 0.000 0.745 181 L CB -1.074 40.939 42.059 -0.077 0.000 0.894 181 L HN 0.061 nan 8.230 nan 0.000 0.432 182 T N 0.130 114.681 114.554 -0.005 0.000 2.652 182 T HA -0.222 4.128 4.350 0.001 0.000 0.267 182 T C 1.861 176.579 174.700 0.029 0.000 1.039 182 T CA 1.958 64.058 62.100 -0.000 0.000 1.153 182 T CB -0.510 68.333 68.868 -0.041 0.000 0.863 182 T HN 0.325 nan 8.240 nan 0.000 0.428 183 L N 1.006 122.260 121.223 0.051 0.000 1.994 183 L HA -0.013 4.328 4.340 0.001 0.000 0.208 183 L C 2.584 179.485 176.870 0.053 0.000 1.071 183 L CA 1.712 56.593 54.840 0.068 0.000 0.745 183 L CB -0.386 41.733 42.059 0.101 0.000 0.892 183 L HN 0.075 nan 8.230 nan 0.000 0.431 184 R N -0.827 119.701 120.500 0.047 0.000 2.105 184 R HA -0.154 4.186 4.340 0.001 0.000 0.239 184 R C 2.271 178.592 176.300 0.035 0.000 1.135 184 R CA 1.643 57.766 56.100 0.038 0.000 0.967 184 R CB -0.575 29.743 30.300 0.032 0.000 0.861 184 R HN 0.394 nan 8.270 nan 0.000 0.442 185 L N 0.207 121.453 121.223 0.038 0.000 1.994 185 L HA -0.211 4.129 4.340 0.001 0.000 0.208 185 L C 2.605 179.496 176.870 0.034 0.000 1.071 185 L CA 1.534 56.398 54.840 0.040 0.000 0.745 185 L CB -0.362 41.727 42.059 0.050 0.000 0.892 185 L HN 0.253 nan 8.230 nan 0.000 0.431 186 M N -0.770 118.849 119.600 0.032 0.000 2.108 186 M HA -0.246 4.235 4.480 0.001 0.000 0.261 186 M C 2.106 178.420 176.300 0.023 0.000 1.066 186 M CA 1.753 57.069 55.300 0.027 0.000 1.107 186 M CB -0.404 32.213 32.600 0.028 0.000 1.356 186 M HN 0.232 nan 8.290 nan 0.000 0.406 187 E N 0.092 120.307 120.200 0.026 0.000 2.106 187 E HA -0.132 4.219 4.350 0.001 0.000 0.192 187 E C 2.062 178.673 176.600 0.018 0.000 0.984 187 E CA 1.129 57.541 56.400 0.020 0.000 0.806 187 E CB -0.082 29.633 29.700 0.024 0.000 0.750 187 E HN 0.513 nan 8.360 nan 0.000 0.458 188 A N 0.792 123.625 122.820 0.022 0.000 1.968 188 A HA -0.076 4.244 4.320 0.001 0.000 0.217 188 A C 2.048 179.645 177.584 0.022 0.000 1.169 188 A CA 0.798 52.848 52.037 0.021 0.000 0.638 188 A CB -0.281 18.733 19.000 0.023 0.000 0.812 188 A HN 0.127 nan 8.150 nan 0.000 0.446 189 L N -0.453 120.784 121.223 0.023 0.000 2.446 189 L HA 0.061 4.401 4.340 0.001 0.000 0.219 189 L C 1.283 178.162 176.870 0.016 0.000 1.116 189 L CA -0.037 54.816 54.840 0.023 0.000 0.844 189 L CB -0.150 41.924 42.059 0.025 0.000 0.970 189 L HN 0.283 nan 8.230 nan 0.000 0.457 190 S N 1.420 117.127 115.700 0.012 0.000 2.673 190 S HA 0.016 4.486 4.470 0.001 0.000 0.308 190 S C -1.082 173.521 174.600 0.005 0.000 1.246 190 S CA -0.965 57.239 58.200 0.006 0.000 1.077 190 S CB 0.519 63.720 63.200 0.001 0.000 0.814 190 S HN 0.118 nan 8.310 nan 0.000 0.503 191 P HA 0.124 nan 4.420 nan 0.000 0.255 191 P C -0.004 177.296 177.300 -0.001 0.000 1.248 191 P CA -0.039 63.062 63.100 0.003 0.000 0.807 191 P CB 0.178 31.879 31.700 0.003 0.000 1.150 198 S N 0.994 116.787 115.700 0.154 0.000 2.560 198 S HA 0.132 4.602 4.470 0.001 0.000 0.284 198 S C 1.079 175.789 174.600 0.184 0.000 1.327 198 S CA -0.609 57.658 58.200 0.112 0.000 1.055 198 S CB 0.051 63.318 63.200 0.110 0.000 0.868 198 S HN 0.494 nan 8.310 nan 0.000 0.506 199 L N 5.281 126.580 121.223 0.127 0.000 2.653 199 L HA 0.121 4.462 4.340 0.001 0.000 0.232 199 L C 1.617 178.625 176.870 0.230 0.000 1.169 199 L CA -0.152 54.812 54.840 0.206 0.000 0.951 199 L CB -0.150 41.999 42.059 0.150 0.000 1.181 199 L HN 0.567 nan 8.230 nan 0.000 0.460 200 V N 0.840 120.850 119.914 0.159 0.000 2.358 200 V HA -0.138 3.983 4.120 0.001 0.000 0.246 200 V C -0.172 175.966 176.094 0.074 0.000 1.047 200 V CA 1.827 64.190 62.300 0.106 0.000 1.035 200 V CB -1.040 30.828 31.823 0.074 0.000 0.658 200 V HN 0.384 nan 8.190 nan 0.000 0.452 201 P HA -0.184 nan 4.420 nan 0.000 0.216 201 P C 1.736 178.996 177.300 -0.066 0.000 1.153 201 P CA 1.403 64.514 63.100 0.017 0.000 0.848 201 P CB -0.132 31.630 31.700 0.103 0.000 0.787 202 F N -0.089 119.830 119.950 -0.052 0.000 2.134 202 F HA -0.153 4.374 4.527 0.001 0.000 0.299 202 F C 1.933 177.681 175.800 -0.087 0.000 1.097 202 F CA 1.236 59.193 58.000 -0.073 0.000 1.264 202 F CB -0.871 38.162 39.000 0.056 0.000 1.001 202 F HN -0.241 nan 8.300 nan 0.000 0.479 203 I N 0.812 121.254 120.570 -0.213 0.000 2.439 203 I HA -0.234 3.936 4.170 0.001 0.000 0.251 203 I C 1.938 177.839 176.117 -0.360 0.000 1.139 203 I CA 1.383 62.510 61.300 -0.288 0.000 1.438 203 I CB -0.801 37.222 38.000 0.038 0.000 1.085 203 I HN 0.193 nan 8.210 nan 0.000 0.427 204 N N -0.290 118.263 118.700 -0.246 0.000 2.106 204 N HA -0.204 4.536 4.740 0.001 0.000 0.188 204 N C 1.774 177.097 175.510 -0.311 0.000 1.029 204 N CA 1.116 54.030 53.050 -0.227 0.000 0.848 204 N CB -0.191 38.214 38.487 -0.136 0.000 1.007 204 N HN 0.201 nan 8.380 nan 0.000 0.423 205 L N 1.051 122.056 121.223 -0.362 0.000 2.046 205 L HA -0.058 4.282 4.340 0.001 0.000 0.208 205 L C 1.933 178.553 176.870 -0.417 0.000 1.077 205 L CA 1.242 55.866 54.840 -0.360 0.000 0.747 205 L CB -0.668 41.146 42.059 -0.409 0.000 0.896 205 L HN 0.177 nan 8.230 nan 0.000 0.432 206 L N -0.175 120.679 121.223 -0.616 0.000 2.042 206 L HA -0.062 4.278 4.340 0.001 0.000 0.210 206 L C 2.337 178.827 176.870 -0.632 0.000 1.076 206 L CA 2.143 56.609 54.840 -0.623 0.000 0.749 206 L CB -1.435 40.154 42.059 -0.783 0.000 0.893 206 L HN 0.324 nan 8.230 nan 0.000 0.432 207 G N -0.463 107.833 108.800 -0.841 0.000 2.418 207 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 207 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 207 G C 1.638 176.386 174.900 -0.252 0.000 1.158 207 G CA 1.144 45.766 45.100 -0.796 0.000 0.771 207 G HN 0.479 nan 8.290 nan 0.000 0.545 208 I N 0.399 120.852 120.570 -0.195 0.000 2.252 208 I HA -0.105 4.065 4.170 0.001 0.000 0.245 208 I C 2.638 178.726 176.117 -0.048 0.000 1.102 208 I CA 0.694 61.959 61.300 -0.059 0.000 1.385 208 I CB -0.173 37.806 38.000 -0.034 0.000 1.064 208 I HN 0.146 nan 8.210 nan 0.000 0.414 209 I N -0.200 120.301 120.570 -0.115 0.000 2.179 209 I HA -0.348 3.822 4.170 0.001 0.000 0.242 209 I C 2.639 178.709 176.117 -0.078 0.000 1.088 209 I CA 1.656 62.892 61.300 -0.107 0.000 1.357 209 I CB -0.466 37.457 38.000 -0.128 0.000 1.051 209 I HN 0.213 nan 8.210 nan 0.000 0.409 210 Y N 1.519 121.745 120.300 -0.123 0.000 2.145 210 Y HA -0.356 4.195 4.550 0.001 0.000 0.286 210 Y C 2.678 178.597 175.900 0.031 0.000 1.145 210 Y CA 2.079 60.161 58.100 -0.030 0.000 1.148 210 Y CB -0.231 38.230 38.460 0.001 0.000 0.981 210 Y HN 0.120 nan 8.280 nan 0.000 0.507 211 Q N 0.581 120.402 119.800 0.035 0.000 2.079 211 Q HA -0.105 4.235 4.340 0.001 0.000 0.200 211 Q C 2.050 178.071 176.000 0.036 0.000 0.974 211 Q CA 2.184 58.019 55.803 0.053 0.000 0.840 211 Q CB -0.442 28.395 28.738 0.165 0.000 0.898 211 Q HN 0.691 nan 8.270 nan 0.000 0.430 212 I N -0.217 120.363 120.570 0.017 0.000 2.315 212 I HA -0.232 3.938 4.170 0.001 0.000 0.248 212 I C 2.528 178.606 176.117 -0.065 0.000 1.117 212 I CA 1.223 62.491 61.300 -0.054 0.000 1.404 212 I CB -0.343 37.477 38.000 -0.301 0.000 1.071 212 I HN 0.208 nan 8.210 nan 0.000 0.419 213 R N 1.107 121.536 120.500 -0.118 0.000 2.092 213 R HA -0.230 4.110 4.340 0.001 0.000 0.231 213 R C 1.909 178.174 176.300 -0.059 0.000 1.119 213 R CA 2.115 58.163 56.100 -0.087 0.000 0.970 213 R CB -0.225 29.992 30.300 -0.138 0.000 0.864 213 R HN 0.289 nan 8.270 nan 0.000 0.440 214 D N 0.285 120.567 120.400 -0.197 0.000 2.097 214 D HA -0.172 4.469 4.640 0.001 0.000 0.195 214 D C 1.229 177.527 176.300 -0.003 0.000 0.989 214 D CA 1.768 55.668 54.000 -0.166 0.000 0.827 214 D CB -0.108 40.527 40.800 -0.274 0.000 0.966 214 D HN 0.215 nan 8.370 nan 0.000 0.456 215 D N -0.989 119.447 120.400 0.060 0.000 2.123 215 D HA -0.197 4.444 4.640 0.001 0.000 0.196 215 D C 1.710 178.076 176.300 0.109 0.000 0.992 215 D CA 0.845 54.914 54.000 0.116 0.000 0.833 215 D CB -0.572 40.347 40.800 0.198 0.000 0.954 215 D HN 0.381 nan 8.370 nan 0.000 0.455 216 Y N 1.199 121.498 120.300 -0.002 0.000 2.114 216 Y HA -0.125 4.426 4.550 0.001 0.000 0.284 216 Y C 2.133 178.028 175.900 -0.008 0.000 1.143 216 Y CA 1.365 59.462 58.100 -0.005 0.000 1.135 216 Y CB -0.344 38.094 38.460 -0.036 0.000 0.980 216 Y HN -0.088 nan 8.280 nan 0.000 0.499 217 L N 0.420 121.666 121.223 0.038 0.000 2.141 217 L HA -0.243 4.097 4.340 0.001 0.000 0.209 217 L C 2.477 179.304 176.870 -0.072 0.000 1.094 217 L CA 1.467 56.278 54.840 -0.048 0.000 0.763 217 L CB -0.803 41.274 42.059 0.031 0.000 0.908 217 L HN 0.396 nan 8.230 nan 0.000 0.437 218 N N 0.763 119.445 118.700 -0.030 0.000 2.205 218 N HA -0.188 4.552 4.740 0.001 0.000 0.186 218 N C 1.807 177.304 175.510 -0.022 0.000 1.015 218 N CA 1.320 54.367 53.050 -0.005 0.000 0.862 218 N CB 0.133 38.630 38.487 0.016 0.000 0.986 218 N HN 0.370 nan 8.380 nan 0.000 0.429 219 L N -0.073 121.101 121.223 -0.082 0.000 2.253 219 L HA 0.020 4.361 4.340 0.001 0.000 0.205 219 L C 2.386 179.209 176.870 -0.079 0.000 1.078 219 L CA 0.403 55.203 54.840 -0.067 0.000 0.805 219 L CB -0.223 41.775 42.059 -0.102 0.000 0.963 219 L HN -0.032 nan 8.230 nan 0.000 0.459 220 K N 0.705 120.954 120.400 -0.252 0.000 2.057 220 K HA -0.145 4.176 4.320 0.001 0.000 0.206 220 K C 1.616 178.141 176.600 -0.125 0.000 1.050 220 K CA 1.389 57.512 56.287 -0.273 0.000 0.935 220 K CB -0.168 32.035 32.500 -0.496 0.000 0.715 220 K HN 0.108 nan 8.250 nan 0.000 0.439 221 D N -0.681 119.671 120.400 -0.080 0.000 2.218 221 D HA -0.152 4.488 4.640 0.001 0.000 0.204 221 D C 1.574 177.854 176.300 -0.032 0.000 0.976 221 D CA 0.770 54.741 54.000 -0.049 0.000 0.853 221 D CB -0.127 40.656 40.800 -0.029 0.000 0.939 221 D HN 0.192 nan 8.370 nan 0.000 0.481 222 F N 1.238 121.110 119.950 -0.130 0.000 2.118 222 F HA -0.056 4.471 4.527 -0.001 0.000 0.293 222 F C 2.423 178.159 175.800 -0.108 0.000 1.102 222 F CA 1.176 59.102 58.000 -0.123 0.000 1.247 222 F CB -0.357 38.591 39.000 -0.085 0.000 1.017 222 F HN -0.172 nan 8.300 nan 0.000 0.475 223 Q N 0.222 119.961 119.800 -0.103 0.000 2.077 223 Q HA -0.256 4.084 4.340 0.001 0.000 0.206 223 Q C 1.992 177.864 176.000 -0.214 0.000 0.989 223 Q CA 2.425 58.122 55.803 -0.176 0.000 0.853 223 Q CB -0.279 28.410 28.738 -0.082 0.000 0.907 223 Q HN 0.507 nan 8.270 nan 0.000 0.418 224 M N -0.421 119.081 119.600 -0.164 0.000 2.659 224 M HA 0.056 4.536 4.480 0.001 0.000 0.243 224 M C -0.096 176.106 176.300 -0.163 0.000 1.111 224 M CA 0.171 55.389 55.300 -0.137 0.000 1.070 224 M CB 0.724 33.266 32.600 -0.096 0.000 1.525 224 M HN 0.008 nan 8.290 nan 0.000 0.517 225 S N -0.783 114.772 115.700 -0.242 0.000 2.523 225 S HA 0.116 4.586 4.470 0.001 0.000 0.335 225 S C -0.607 173.782 174.600 -0.352 0.000 0.817 225 S CA -0.695 57.354 58.200 -0.251 0.000 0.800 225 S CB 0.624 63.722 63.200 -0.169 0.000 1.106 225 S HN 0.227 nan 8.310 nan 0.000 0.490 230 F N 2.063 122.107 119.950 0.156 0.000 2.721 230 F HA 0.457 4.984 4.527 -0.000 0.000 0.301 230 F C 1.845 177.528 175.800 -0.196 0.000 1.096 230 F CA 0.593 58.660 58.000 0.111 0.000 1.308 230 F CB 0.912 39.935 39.000 0.038 0.000 1.086 230 F HN 1.046 nan 8.300 nan 0.000 0.587 231 A N 0.806 123.617 122.820 -0.015 0.000 2.739 231 A HA -0.259 4.061 4.320 0.001 0.000 0.296 231 A C 1.633 179.140 177.584 -0.127 0.000 1.488 231 A CA 0.665 52.591 52.037 -0.186 0.000 0.746 231 A CB -1.989 16.645 19.000 -0.611 0.000 1.047 231 A HN 0.375 nan 8.150 nan 0.000 0.477 232 E N -0.057 120.144 120.200 0.002 0.000 2.209 232 E HA -0.188 4.162 4.350 0.001 0.000 0.196 232 E C 1.223 177.815 176.600 -0.013 0.000 0.993 232 E CA 1.417 57.818 56.400 0.001 0.000 0.819 232 E CB -0.078 29.645 29.700 0.038 0.000 0.745 232 E HN 0.802 nan 8.360 nan 0.000 0.477 233 D N 0.157 120.554 120.400 -0.006 0.000 2.182 233 D HA -0.131 4.509 4.640 0.001 0.000 0.201 233 D C 1.954 178.247 176.300 -0.013 0.000 0.986 233 D CA 0.624 54.629 54.000 0.008 0.000 0.847 233 D CB -0.136 40.679 40.800 0.026 0.000 0.942 233 D HN 0.287 nan 8.370 nan 0.000 0.467 234 I N 0.360 120.896 120.570 -0.057 0.000 2.233 234 I HA -0.197 3.973 4.170 0.001 0.000 0.243 234 I C 2.179 178.262 176.117 -0.056 0.000 1.093 234 I CA 0.955 62.214 61.300 -0.068 0.000 1.380 234 I CB -0.285 37.640 38.000 -0.125 0.000 1.067 234 I HN -0.055 nan 8.210 nan 0.000 0.413 235 T N -0.096 114.419 114.554 -0.065 0.000 2.759 235 T HA -0.244 4.106 4.350 0.001 0.000 0.269 235 T C 1.770 176.453 174.700 -0.028 0.000 1.042 235 T CA 1.383 63.454 62.100 -0.048 0.000 1.140 235 T CB -0.242 68.597 68.868 -0.049 0.000 0.864 235 T HN 0.388 nan 8.240 nan 0.000 0.455 236 E N 0.335 120.525 120.200 -0.016 0.000 2.358 236 E HA 0.037 4.387 4.350 0.001 0.000 0.195 236 E C 1.446 178.050 176.600 0.007 0.000 1.010 236 E CA 0.443 56.842 56.400 -0.001 0.000 0.856 236 E CB -0.215 29.493 29.700 0.014 0.000 0.795 236 E HN 0.551 nan 8.360 nan 0.000 0.504 237 G N 2.409 111.211 108.800 0.003 0.000 2.160 237 G HA2 -0.335 3.625 3.960 0.001 0.000 0.251 237 G HA3 -0.335 3.625 3.960 0.001 0.000 0.251 237 G C 0.132 175.058 174.900 0.044 0.000 1.008 237 G CA 0.640 45.747 45.100 0.012 0.000 0.724 237 G HN 0.285 nan 8.290 nan 0.000 0.514 238 K N 0.096 120.531 120.400 0.057 0.000 2.448 238 K HA 0.261 4.581 4.320 0.001 0.000 0.278 238 K C 0.969 177.645 176.600 0.127 0.000 1.009 238 K CA -0.615 55.734 56.287 0.104 0.000 0.995 238 K CB 0.060 32.622 32.500 0.102 0.000 0.917 238 K HN 0.025 nan 8.250 nan 0.000 0.481 239 L N 5.185 126.530 121.223 0.202 0.000 2.533 239 L HA 0.029 4.369 4.340 0.001 0.000 0.239 239 L C 0.528 177.557 176.870 0.264 0.000 1.376 239 L CA 0.472 55.436 54.840 0.207 0.000 1.240 239 L CB -1.562 40.678 42.059 0.300 0.000 1.487 239 L HN 0.691 nan 8.230 nan 0.000 0.419 240 S N -0.985 114.826 115.700 0.185 0.000 2.587 240 S HA 0.031 4.502 4.470 0.001 0.000 0.260 240 S C 1.244 175.857 174.600 0.022 0.000 1.353 240 S CA -0.305 58.021 58.200 0.210 0.000 0.995 240 S CB 0.586 63.871 63.200 0.142 0.000 0.912 240 S HN 0.360 nan 8.310 nan 0.000 0.568 241 F N 2.195 122.001 119.950 -0.239 0.000 2.126 241 F HA 0.102 4.629 4.527 0.000 0.000 0.299 241 F C -1.088 174.559 175.800 -0.256 0.000 1.096 241 F CA 1.224 58.881 58.000 -0.572 0.000 1.255 241 F CB -1.277 37.433 39.000 -0.482 0.000 0.997 241 F HN 0.470 nan 8.300 nan 0.000 0.479 242 P HA -0.162 nan 4.420 nan 0.000 0.216 242 P C 2.030 179.309 177.300 -0.034 0.000 1.153 242 P CA 1.329 64.474 63.100 0.073 0.000 0.844 242 P CB -0.014 31.756 31.700 0.117 0.000 0.787 243 I N -0.938 119.600 120.570 -0.052 0.000 2.226 243 I HA -0.155 4.015 4.170 0.001 0.000 0.245 243 I C 2.211 178.242 176.117 -0.144 0.000 1.100 243 I CA 1.529 62.785 61.300 -0.075 0.000 1.374 243 I CB -1.322 36.654 38.000 -0.039 0.000 1.057 243 I HN -0.138 nan 8.210 nan 0.000 0.413 244 V N 0.606 120.387 119.914 -0.220 0.000 2.343 244 V HA -0.289 3.831 4.120 0.001 0.000 0.247 244 V C 2.615 178.502 176.094 -0.345 0.000 1.051 244 V CA 1.931 64.051 62.300 -0.300 0.000 1.036 244 V CB -0.973 30.593 31.823 -0.428 0.000 0.654 244 V HN 0.500 nan 8.190 nan 0.000 0.451 245 H N 0.646 119.428 119.070 -0.480 0.000 2.326 245 H HA -0.126 4.431 4.556 0.000 0.000 0.301 245 H C 2.264 177.442 175.328 -0.250 0.000 1.081 245 H CA 1.931 57.697 56.048 -0.470 0.000 1.334 245 H CB 0.043 29.447 29.762 -0.596 0.000 1.385 245 H HN 0.375 nan 8.280 nan 0.000 0.504 246 A N 1.447 124.145 122.820 -0.203 0.000 1.908 246 A HA -0.116 4.205 4.320 0.001 0.000 0.218 246 A C 2.890 180.414 177.584 -0.100 0.000 1.181 246 A CA 1.340 53.289 52.037 -0.147 0.000 0.627 246 A CB -0.902 18.056 19.000 -0.070 0.000 0.818 246 A HN 0.432 nan 8.150 nan 0.000 0.445 247 L N -0.258 120.889 121.223 -0.126 0.000 2.017 247 L HA -0.206 4.135 4.340 0.001 0.000 0.208 247 L C 2.286 179.176 176.870 0.032 0.000 1.073 247 L CA 1.415 56.215 54.840 -0.066 0.000 0.745 247 L CB -0.581 41.403 42.059 -0.126 0.000 0.894 247 L HN 0.425 nan 8.230 nan 0.000 0.432 248 N N -0.517 118.116 118.700 -0.112 0.000 2.331 248 N HA -0.178 4.562 4.740 0.001 0.000 0.180 248 N C 1.733 177.142 175.510 -0.169 0.000 1.019 248 N CA 1.134 54.099 53.050 -0.142 0.000 0.881 248 N CB -0.169 38.192 38.487 -0.209 0.000 0.972 248 N HN 0.253 nan 8.380 nan 0.000 0.435 249 F N 2.461 122.192 119.950 -0.365 0.000 2.060 249 F HA -0.192 4.336 4.527 0.001 0.000 0.295 249 F C 2.684 178.384 175.800 -0.167 0.000 1.120 249 F CA 1.914 59.709 58.000 -0.343 0.000 1.205 249 F CB -0.723 37.975 39.000 -0.503 0.000 0.986 249 F HN 0.027 nan 8.300 nan 0.000 0.470 250 T N -1.415 113.251 114.554 0.185 0.000 2.803 250 T HA -0.268 4.082 4.350 0.001 0.000 0.269 250 T C 2.023 176.694 174.700 -0.048 0.000 1.052 250 T CA 1.674 63.849 62.100 0.126 0.000 1.136 250 T CB -0.665 68.338 68.868 0.224 0.000 0.864 250 T HN 0.425 nan 8.240 nan 0.000 0.467 251 K N 0.893 121.247 120.400 -0.078 0.000 2.025 251 K HA -0.101 4.220 4.320 0.001 0.000 0.207 251 K C 2.382 178.846 176.600 -0.228 0.000 1.049 251 K CA 1.666 57.802 56.287 -0.251 0.000 0.933 251 K CB -0.526 31.803 32.500 -0.285 0.000 0.714 251 K HN 0.342 nan 8.250 nan 0.000 0.438 252 T N 1.360 115.766 114.554 -0.246 0.000 2.746 252 T HA -0.046 4.304 4.350 0.001 0.000 0.267 252 T C 1.509 176.038 174.700 -0.286 0.000 1.039 252 T CA 1.030 62.974 62.100 -0.260 0.000 1.142 252 T CB 0.004 68.695 68.868 -0.296 0.000 0.866 252 T HN 0.158 nan 8.240 nan 0.000 0.444 253 K N 0.583 120.749 120.400 -0.390 0.000 2.525 253 K HA 0.126 4.446 4.320 0.001 0.000 0.192 253 K C 1.547 178.039 176.600 -0.179 0.000 1.029 253 K CA 0.468 56.557 56.287 -0.329 0.000 1.029 253 K CB -0.296 31.920 32.500 -0.473 0.000 0.814 253 K HN 0.514 nan 8.250 nan 0.000 0.503 254 G N 2.017 110.720 108.800 -0.162 0.000 2.168 254 G HA2 -0.311 3.649 3.960 0.001 0.000 0.257 254 G HA3 -0.311 3.649 3.960 0.001 0.000 0.257 254 G C -0.061 174.796 174.900 -0.072 0.000 0.997 254 G CA 0.148 45.179 45.100 -0.114 0.000 0.708 254 G HN 0.465 nan 8.290 nan 0.000 0.520 255 Q N 0.609 120.380 119.800 -0.048 0.000 3.184 255 Q HA 0.301 4.641 4.340 0.001 0.000 0.288 255 Q C 1.785 177.807 176.000 0.037 0.000 1.412 255 Q CA 0.321 56.133 55.803 0.014 0.000 0.991 255 Q CB -0.040 28.739 28.738 0.068 0.000 1.688 255 Q HN 0.423 nan 8.270 nan 0.000 0.554 256 T N 0.846 115.404 114.554 0.007 0.000 2.620 256 T HA -0.266 4.084 4.350 0.001 0.000 0.267 256 T C 1.612 176.357 174.700 0.074 0.000 1.044 256 T CA 1.963 64.077 62.100 0.023 0.000 1.161 256 T CB 0.022 68.887 68.868 -0.005 0.000 0.862 256 T HN 0.494 nan 8.240 nan 0.000 0.438 257 E N 0.748 120.979 120.200 0.052 0.000 2.150 257 E HA -0.097 4.254 4.350 0.001 0.000 0.193 257 E C 2.206 178.842 176.600 0.059 0.000 0.985 257 E CA 1.137 57.567 56.400 0.050 0.000 0.814 257 E CB -0.178 29.541 29.700 0.032 0.000 0.752 257 E HN 0.474 nan 8.360 nan 0.000 0.466 258 Q N -1.358 118.487 119.800 0.074 0.000 2.123 258 Q HA -0.077 4.264 4.340 0.001 0.000 0.199 258 Q C 1.831 177.873 176.000 0.070 0.000 0.966 258 Q CA 1.519 57.365 55.803 0.072 0.000 0.845 258 Q CB -0.317 28.475 28.738 0.091 0.000 0.907 258 Q HN 0.475 nan 8.270 nan 0.000 0.439 259 H N 0.658 119.733 119.070 0.009 0.000 2.290 259 H HA -0.097 4.460 4.556 0.001 0.000 0.298 259 H C 1.423 176.745 175.328 -0.009 0.000 1.087 259 H CA 1.989 58.032 56.048 -0.007 0.000 1.291 259 H CB 0.074 29.824 29.762 -0.020 0.000 1.369 259 H HN 0.184 nan 8.280 nan 0.000 0.492 260 N N 0.191 118.933 118.700 0.070 0.000 2.166 260 N HA -0.137 4.604 4.740 0.001 0.000 0.186 260 N C 1.896 177.390 175.510 -0.027 0.000 1.019 260 N CA 1.287 54.346 53.050 0.016 0.000 0.856 260 N CB -0.342 38.178 38.487 0.055 0.000 0.993 260 N HN 0.472 nan 8.380 nan 0.000 0.426 261 E N 0.941 121.133 120.200 -0.012 0.000 2.106 261 E HA 0.011 4.362 4.350 0.001 0.000 0.192 261 E C 1.857 178.435 176.600 -0.036 0.000 0.984 261 E CA 0.708 57.100 56.400 -0.013 0.000 0.806 261 E CB -0.248 29.456 29.700 0.006 0.000 0.750 261 E HN 0.370 nan 8.360 nan 0.000 0.458 262 I N -0.033 120.497 120.570 -0.066 0.000 2.202 262 I HA -0.246 3.925 4.170 0.001 0.000 0.242 262 I C 2.237 178.295 176.117 -0.099 0.000 1.091 262 I CA 0.797 62.047 61.300 -0.084 0.000 1.368 262 I CB -0.231 37.696 38.000 -0.121 0.000 1.058 262 I HN 0.141 nan 8.210 nan 0.000 0.410 263 L N 0.201 121.340 121.223 -0.141 0.000 2.083 263 L HA -0.204 4.136 4.340 0.001 0.000 0.209 263 L C 2.763 179.598 176.870 -0.060 0.000 1.083 263 L CA 1.394 56.165 54.840 -0.113 0.000 0.752 263 L CB -0.593 41.388 42.059 -0.130 0.000 0.899 263 L HN 0.197 nan 8.230 nan 0.000 0.433 264 R N -0.016 120.456 120.500 -0.046 0.000 2.096 264 R HA -0.108 4.232 4.340 0.001 0.000 0.235 264 R C 2.255 178.540 176.300 -0.026 0.000 1.127 264 R CA 1.266 57.350 56.100 -0.027 0.000 0.968 264 R CB -0.299 29.991 30.300 -0.017 0.000 0.861 264 R HN 0.358 nan 8.270 nan 0.000 0.440 265 I N 0.721 121.274 120.570 -0.029 0.000 2.286 265 I HA -0.245 3.925 4.170 0.001 0.000 0.245 265 I C 2.170 178.269 176.117 -0.030 0.000 1.104 265 I CA 1.070 62.355 61.300 -0.026 0.000 1.397 265 I CB -0.163 37.823 38.000 -0.024 0.000 1.072 265 I HN 0.127 nan 8.210 nan 0.000 0.417 266 L N 0.214 121.416 121.223 -0.035 0.000 2.046 266 L HA -0.213 4.127 4.340 0.001 0.000 0.208 266 L C 2.441 179.296 176.870 -0.025 0.000 1.077 266 L CA 1.313 56.135 54.840 -0.030 0.000 0.747 266 L CB -0.451 41.590 42.059 -0.030 0.000 0.896 266 L HN 0.271 nan 8.230 nan 0.000 0.432 267 L N -0.576 120.632 121.223 -0.026 0.000 2.275 267 L HA -0.180 4.160 4.340 0.001 0.000 0.215 267 L C 2.332 179.187 176.870 -0.025 0.000 1.119 267 L CA 0.678 55.503 54.840 -0.025 0.000 0.790 267 L CB -0.258 41.786 42.059 -0.024 0.000 0.919 267 L HN 0.315 nan 8.230 nan 0.000 0.443 268 L N -0.660 120.549 121.223 -0.024 0.000 2.291 268 L HA -0.063 4.277 4.340 0.001 0.000 0.214 268 L C 0.698 177.554 176.870 -0.024 0.000 1.120 268 L CA 0.083 54.910 54.840 -0.022 0.000 0.799 268 L CB -0.181 41.867 42.059 -0.019 0.000 0.925 268 L HN 0.258 nan 8.230 nan 0.000 0.446 269 R N 0.434 120.919 120.500 -0.026 0.000 3.264 269 R HA -0.159 4.181 4.340 0.001 0.000 0.251 269 R C 0.237 176.520 176.300 -0.028 0.000 0.971 269 R CA 0.709 56.793 56.100 -0.027 0.000 0.658 269 R CB -2.995 27.289 30.300 -0.027 0.000 1.095 269 R HN 0.222 nan 8.270 nan 0.000 0.443 270 T N -1.341 113.195 114.554 -0.030 0.000 2.909 270 T HA 0.371 4.721 4.350 0.001 0.000 0.289 270 T C 1.038 175.717 174.700 -0.035 0.000 1.005 270 T CA -0.041 62.042 62.100 -0.027 0.000 1.084 270 T CB 1.047 69.902 68.868 -0.022 0.000 0.975 270 T HN 0.261 nan 8.240 nan 0.000 0.509 271 S N 2.361 118.047 115.700 -0.023 0.000 2.539 271 S HA 0.132 4.602 4.470 0.001 0.000 0.221 271 S C 0.277 174.883 174.600 0.010 0.000 0.987 271 S CA -0.409 57.781 58.200 -0.017 0.000 0.929 271 S CB 0.090 63.280 63.200 -0.016 0.000 0.832 271 S HN 0.793 nan 8.310 nan 0.000 0.492 272 D N 2.743 123.149 120.400 0.011 0.000 2.363 272 D HA 0.029 4.669 4.640 0.001 0.000 0.263 272 D C 1.102 177.442 176.300 0.067 0.000 1.258 272 D CA 0.172 54.195 54.000 0.038 0.000 0.907 272 D CB 0.706 41.523 40.800 0.028 0.000 1.107 272 D HN 0.150 nan 8.370 nan 0.000 0.495 273 K N 3.585 124.063 120.400 0.130 0.000 2.059 273 K HA -0.230 4.091 4.320 0.001 0.000 0.212 273 K C 0.746 177.481 176.600 0.225 0.000 1.050 273 K CA 1.671 58.111 56.287 0.256 0.000 0.927 273 K CB 0.193 32.855 32.500 0.269 0.000 0.714 273 K HN 0.354 nan 8.250 nan 0.000 0.447 274 D N 0.579 121.058 120.400 0.132 0.000 2.144 274 D HA -0.143 4.497 4.640 0.001 0.000 0.199 274 D C 1.963 178.316 176.300 0.088 0.000 0.984 274 D CA 1.242 55.303 54.000 0.101 0.000 0.834 274 D CB -0.134 40.705 40.800 0.065 0.000 0.955 274 D HN 0.365 nan 8.370 nan 0.000 0.465 275 I N 0.523 121.132 120.570 0.064 0.000 2.286 275 I HA -0.202 3.968 4.170 0.001 0.000 0.245 275 I C 2.115 178.252 176.117 0.035 0.000 1.104 275 I CA 0.943 62.267 61.300 0.039 0.000 1.397 275 I CB -0.072 37.938 38.000 0.018 0.000 1.072 275 I HN -0.115 nan 8.210 nan 0.000 0.417 276 K N 0.859 121.272 120.400 0.021 0.000 2.097 276 K HA -0.121 4.199 4.320 0.001 0.000 0.206 276 K C 2.029 178.679 176.600 0.084 0.000 1.049 276 K CA 1.236 57.495 56.287 -0.046 0.000 0.933 276 K CB -0.178 32.148 32.500 -0.290 0.000 0.717 276 K HN 0.254 nan 8.250 nan 0.000 0.442 277 L N 0.961 122.317 121.223 0.222 0.000 2.056 277 L HA -0.175 4.165 4.340 0.001 0.000 0.207 277 L C 2.544 179.494 176.870 0.133 0.000 1.078 277 L CA 1.217 56.202 54.840 0.242 0.000 0.749 277 L CB -0.386 41.792 42.059 0.198 0.000 0.901 277 L HN 0.151 nan 8.230 nan 0.000 0.433 278 K N 0.380 120.839 120.400 0.099 0.000 2.074 278 K HA -0.256 4.064 4.320 0.001 0.000 0.209 278 K C 2.165 178.803 176.600 0.064 0.000 1.048 278 K CA 1.607 57.941 56.287 0.078 0.000 0.926 278 K CB -0.132 32.401 32.500 0.056 0.000 0.713 278 K HN 0.089 nan 8.250 nan 0.000 0.444 279 L N 1.329 122.577 121.223 0.042 0.000 2.056 279 L HA -0.081 4.260 4.340 0.001 0.000 0.207 279 L C 1.928 178.811 176.870 0.021 0.000 1.078 279 L CA 1.469 56.321 54.840 0.018 0.000 0.749 279 L CB -0.253 41.800 42.059 -0.010 0.000 0.901 279 L HN 0.224 nan 8.230 nan 0.000 0.433 280 I N -0.309 120.284 120.570 0.038 0.000 2.315 280 I HA -0.316 3.854 4.170 0.001 0.000 0.248 280 I C 2.622 178.738 176.117 -0.003 0.000 1.117 280 I CA 1.551 62.864 61.300 0.021 0.000 1.404 280 I CB -0.309 37.733 38.000 0.070 0.000 1.071 280 I HN 0.525 nan 8.210 nan 0.000 0.419 281 Q N 1.106 120.938 119.800 0.055 0.000 2.224 281 Q HA -0.180 4.160 4.340 0.001 0.000 0.203 281 Q C 2.141 178.229 176.000 0.147 0.000 0.970 281 Q CA 1.596 57.468 55.803 0.116 0.000 0.865 281 Q CB -0.359 28.545 28.738 0.276 0.000 0.922 281 Q HN 0.504 nan 8.270 nan 0.000 0.445 282 I N 0.233 120.858 120.570 0.091 0.000 2.252 282 I HA -0.234 3.936 4.170 0.001 0.000 0.245 282 I C 1.815 177.941 176.117 0.016 0.000 1.102 282 I CA 0.616 61.959 61.300 0.072 0.000 1.385 282 I CB -0.052 37.972 38.000 0.040 0.000 1.064 282 I HN 0.215 nan 8.210 nan 0.000 0.414 283 L N 0.316 121.526 121.223 -0.021 0.000 2.141 283 L HA -0.180 4.161 4.340 0.001 0.000 0.209 283 L C 2.365 179.175 176.870 -0.100 0.000 1.094 283 L CA 1.659 56.467 54.840 -0.055 0.000 0.763 283 L CB -0.572 41.462 42.059 -0.041 0.000 0.908 283 L HN 0.158 nan 8.230 nan 0.000 0.437 284 E N -1.012 119.089 120.200 -0.165 0.000 2.060 284 E HA -0.071 4.279 4.350 0.001 0.000 0.189 284 E C 2.061 178.484 176.600 -0.295 0.000 0.974 284 E CA 1.309 57.525 56.400 -0.307 0.000 0.808 284 E CB -0.188 29.188 29.700 -0.540 0.000 0.768 284 E HN 0.417 nan 8.360 nan 0.000 0.453 285 F N -0.008 119.929 119.950 -0.023 0.000 2.335 285 F HA 0.057 4.584 4.527 0.000 0.000 0.296 285 F C 2.180 177.962 175.800 -0.030 0.000 1.091 285 F CA 0.821 58.809 58.000 -0.019 0.000 1.399 285 F CB 0.231 39.227 39.000 -0.006 0.000 1.067 285 F HN 0.108 nan 8.300 nan 0.000 0.520 286 D N -0.154 120.318 120.400 0.121 0.000 2.290 286 D HA -0.095 4.546 4.640 0.001 0.000 0.224 286 D C 2.076 178.297 176.300 -0.131 0.000 0.967 286 D CA 1.936 55.965 54.000 0.049 0.000 0.893 286 D CB 0.051 40.892 40.800 0.068 0.000 1.037 286 D HN 0.269 nan 8.370 nan 0.000 0.477 287 T N -2.432 111.959 114.554 -0.273 0.000 3.014 287 T HA 0.069 4.420 4.350 0.001 0.000 0.250 287 T C 0.998 175.384 174.700 -0.523 0.000 1.060 287 T CA 0.563 62.217 62.100 -0.743 0.000 1.040 287 T CB -0.179 68.380 68.868 -0.515 0.000 0.971 287 T HN 0.308 nan 8.240 nan 0.000 0.497 288 N N 0.238 118.798 118.700 -0.233 0.000 2.747 288 N HA -0.235 4.506 4.740 0.001 0.000 0.249 288 N C 0.597 176.049 175.510 -0.096 0.000 1.107 288 N CA 0.398 53.370 53.050 -0.130 0.000 0.707 288 N CB -1.131 37.299 38.487 -0.095 0.000 1.054 288 N HN 0.416 nan 8.380 nan 0.000 0.555 289 S N -0.052 115.599 115.700 -0.081 0.000 2.382 289 S HA -0.072 4.399 4.470 0.001 0.000 0.228 289 S C 1.861 176.489 174.600 0.047 0.000 1.027 289 S CA 0.973 59.152 58.200 -0.035 0.000 0.991 289 S CB 0.083 63.336 63.200 0.089 0.000 0.823 289 S HN 0.358 nan 8.310 nan 0.000 0.469 290 L N 0.948 122.208 121.223 0.063 0.000 2.027 290 L HA -0.074 4.266 4.340 0.001 0.000 0.206 290 L C 2.829 179.840 176.870 0.236 0.000 1.074 290 L CA 1.201 56.149 54.840 0.180 0.000 0.745 290 L CB -0.760 41.334 42.059 0.057 0.000 0.898 290 L HN 0.307 nan 8.230 nan 0.000 0.433 291 A N -0.557 122.324 122.820 0.102 0.000 1.902 291 A HA -0.293 4.027 4.320 0.001 0.000 0.217 291 A C 2.223 179.833 177.584 0.044 0.000 1.181 291 A CA 1.606 53.680 52.037 0.062 0.000 0.623 291 A CB -0.947 18.067 19.000 0.022 0.000 0.818 291 A HN 0.496 nan 8.150 nan 0.000 0.443 292 Y N 1.246 121.486 120.300 -0.099 0.000 2.224 292 Y HA -0.188 4.362 4.550 0.000 0.000 0.289 292 Y C 2.546 178.428 175.900 -0.029 0.000 1.146 292 Y CA 2.292 60.306 58.100 -0.144 0.000 1.182 292 Y CB -0.505 37.658 38.460 -0.495 0.000 0.983 292 Y HN 0.308 nan 8.280 nan 0.000 0.524 293 T N 0.411 115.067 114.554 0.170 0.000 2.812 293 T HA -0.151 4.199 4.350 0.001 0.000 0.264 293 T C 1.853 176.425 174.700 -0.213 0.000 1.042 293 T CA 1.450 63.615 62.100 0.109 0.000 1.140 293 T CB -0.218 68.836 68.868 0.310 0.000 0.870 293 T HN 0.264 nan 8.240 nan 0.000 0.445 294 K N 1.441 121.652 120.400 -0.316 0.000 2.032 294 K HA -0.184 4.136 4.320 0.001 0.000 0.209 294 K C 2.360 178.789 176.600 -0.284 0.000 1.048 294 K CA 1.496 57.492 56.287 -0.486 0.000 0.927 294 K CB -0.263 32.067 32.500 -0.283 0.000 0.712 294 K HN 0.305 nan 8.250 nan 0.000 0.441 295 N N -0.112 118.467 118.700 -0.201 0.000 2.120 295 N HA -0.201 4.540 4.740 0.001 0.000 0.188 295 N C 1.939 177.323 175.510 -0.209 0.000 1.024 295 N CA 1.176 54.113 53.050 -0.188 0.000 0.852 295 N CB -0.170 38.210 38.487 -0.179 0.000 1.003 295 N HN 0.185 nan 8.380 nan 0.000 0.424 296 F N 1.734 121.442 119.950 -0.404 0.000 2.171 296 F HA -0.018 4.509 4.527 0.001 0.000 0.300 296 F C 2.206 177.815 175.800 -0.319 0.000 1.090 296 F CA 0.989 58.763 58.000 -0.377 0.000 1.293 296 F CB -0.103 38.649 39.000 -0.414 0.000 1.013 296 F HN 0.020 nan 8.300 nan 0.000 0.486 297 I N 0.132 120.595 120.570 -0.179 0.000 2.202 297 I HA -0.343 3.827 4.170 0.001 0.000 0.242 297 I C 1.975 177.957 176.117 -0.224 0.000 1.091 297 I CA 1.826 62.992 61.300 -0.223 0.000 1.368 297 I CB -0.788 37.048 38.000 -0.274 0.000 1.058 297 I HN 0.174 nan 8.210 nan 0.000 0.410 298 N N 0.380 118.952 118.700 -0.213 0.000 2.094 298 N HA -0.266 4.475 4.740 0.001 0.000 0.191 298 N C 1.880 177.286 175.510 -0.174 0.000 1.023 298 N CA 1.240 54.189 53.050 -0.168 0.000 0.857 298 N CB -0.136 38.263 38.487 -0.146 0.000 1.013 298 N HN 0.420 nan 8.380 nan 0.000 0.426 299 Q N 0.578 120.238 119.800 -0.234 0.000 2.084 299 Q HA -0.105 4.236 4.340 0.001 0.000 0.202 299 Q C 2.182 178.038 176.000 -0.240 0.000 0.978 299 Q CA 1.001 56.657 55.803 -0.246 0.000 0.844 299 Q CB -0.079 28.451 28.738 -0.345 0.000 0.898 299 Q HN 0.440 nan 8.270 nan 0.000 0.426 300 L N -0.280 120.761 121.223 -0.304 0.000 2.046 300 L HA -0.183 4.158 4.340 0.001 0.000 0.208 300 L C 2.324 179.110 176.870 -0.140 0.000 1.077 300 L CA 0.784 55.478 54.840 -0.243 0.000 0.747 300 L CB -0.463 41.443 42.059 -0.254 0.000 0.896 300 L HN 0.112 nan 8.230 nan 0.000 0.432 301 V N 0.007 119.847 119.914 -0.122 0.000 2.427 301 V HA -0.233 3.887 4.120 0.001 0.000 0.248 301 V C 2.156 178.233 176.094 -0.029 0.000 1.051 301 V CA 1.598 63.861 62.300 -0.062 0.000 1.048 301 V CB -0.696 31.091 31.823 -0.061 0.000 0.666 301 V HN 0.482 nan 8.190 nan 0.000 0.456 302 N N -0.020 118.649 118.700 -0.053 0.000 2.223 302 N HA -0.128 4.613 4.740 0.001 0.000 0.185 302 N C 1.732 177.246 175.510 0.006 0.000 1.016 302 N CA 1.364 54.397 53.050 -0.028 0.000 0.863 302 N CB -0.384 38.073 38.487 -0.050 0.000 0.983 302 N HN 0.437 nan 8.380 nan 0.000 0.429 303 M N -0.126 119.480 119.600 0.011 0.000 2.267 303 M HA -0.076 4.404 4.480 0.001 0.000 0.263 303 M C 1.571 177.984 176.300 0.190 0.000 1.063 303 M CA 1.140 56.497 55.300 0.096 0.000 1.090 303 M CB -0.070 32.581 32.600 0.084 0.000 1.392 303 M HN 0.117 nan 8.290 nan 0.000 0.422 304 I N -0.913 119.744 120.570 0.146 0.000 2.556 304 I HA -0.170 4.000 4.170 0.001 0.000 0.251 304 I C 2.145 178.333 176.117 0.118 0.000 1.105 304 I CA 0.751 62.172 61.300 0.203 0.000 1.436 304 I CB -0.227 37.908 38.000 0.225 0.000 1.139 304 I HN 0.136 nan 8.210 nan 0.000 0.438 305 K N 1.032 121.475 120.400 0.071 0.000 2.063 305 K HA -0.111 4.209 4.320 0.001 0.000 0.208 305 K C 0.897 177.511 176.600 0.023 0.000 1.048 305 K CA 1.254 57.564 56.287 0.039 0.000 0.928 305 K CB -0.098 32.414 32.500 0.020 0.000 0.713 305 K HN 0.222 nan 8.250 nan 0.000 0.442 306 N N 1.729 120.440 118.700 0.020 0.000 2.389 306 N HA -0.045 4.695 4.740 0.001 0.000 0.237 306 N C -0.755 174.750 175.510 -0.009 0.000 1.148 306 N CA 0.346 53.397 53.050 0.001 0.000 0.854 306 N CB 0.294 38.777 38.487 -0.006 0.000 1.115 306 N HN 0.139 nan 8.380 nan 0.000 0.492 307 D N 0.245 120.646 120.400 0.001 0.000 2.639 307 D HA 0.166 4.807 4.640 0.001 0.000 0.233 307 D C 0.801 177.071 176.300 -0.051 0.000 1.161 307 D CA -0.261 53.715 54.000 -0.041 0.000 1.003 307 D CB -0.045 40.759 40.800 0.007 0.000 1.034 307 D HN -0.045 nan 8.370 nan 0.000 0.514 308 N N 1.529 120.195 118.700 -0.056 0.000 2.135 308 N HA -0.111 4.630 4.740 0.001 0.000 0.186 308 N C 0.719 176.194 175.510 -0.058 0.000 1.027 308 N CA 0.800 53.822 53.050 -0.047 0.000 0.849 308 N CB 0.102 38.565 38.487 -0.040 0.000 1.002 308 N HN 0.586 nan 8.380 nan 0.000 0.425 309 E N 1.359 121.510 120.200 -0.082 0.000 2.512 309 E HA 0.038 4.388 4.350 0.001 0.000 0.195 309 E C -0.417 176.119 176.600 -0.107 0.000 1.083 309 E CA -0.173 56.173 56.400 -0.089 0.000 0.873 309 E CB -0.336 29.301 29.700 -0.104 0.000 0.897 309 E HN 0.194 nan 8.360 nan 0.000 0.514 310 N N 1.586 120.224 118.700 -0.102 0.000 2.688 310 N HA -0.225 4.515 4.740 0.001 0.000 0.258 310 N C 0.611 176.008 175.510 -0.188 0.000 1.016 310 N CA 0.806 53.801 53.050 -0.091 0.000 0.747 310 N CB -0.551 37.925 38.487 -0.019 0.000 0.895 310 N HN 0.372 nan 8.380 nan 0.000 0.543 311 K N -0.538 119.666 120.400 -0.326 0.000 2.076 311 K HA -0.062 4.258 4.320 0.001 0.000 0.204 311 K C 1.411 177.762 176.600 -0.415 0.000 1.051 311 K CA 1.012 57.005 56.287 -0.489 0.000 0.949 311 K CB 0.103 32.183 32.500 -0.701 0.000 0.726 311 K HN 0.451 nan 8.250 nan 0.000 0.443 312 Y N 0.192 120.463 120.300 -0.049 0.000 2.301 312 Y HA 0.123 4.673 4.550 0.001 0.000 0.295 312 Y C 1.162 177.133 175.900 0.119 0.000 1.126 312 Y CA -0.578 57.567 58.100 0.075 0.000 1.154 312 Y CB 0.378 38.938 38.460 0.166 0.000 1.075 312 Y HN -0.103 nan 8.280 nan 0.000 0.534 313 L N 1.440 122.751 121.223 0.147 0.000 2.448 313 L HA 0.267 4.607 4.340 0.001 0.000 0.258 313 L C -1.962 174.987 176.870 0.132 0.000 1.104 313 L CA -2.150 52.666 54.840 -0.039 0.000 0.800 313 L CB 0.783 42.737 42.059 -0.174 0.000 1.241 313 L HN -0.127 nan 8.230 nan 0.000 0.472 314 P HA 0.000 nan 4.420 nan 0.000 0.216 314 P CA 0.000 63.098 63.100 -0.004 0.000 0.800 314 P CB 0.000 31.626 31.700 -0.123 0.000 0.726