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 1zmr_1_A DATA FIRST_RESID 2 DATA SEQUENCE SVIKMTDLDL AGKRVFIRAD LNVPVKDGKV TSDARIRASL PTIELALKQG DATA SEQUENCE AKVMVTSHLG RPTEGEYNEE FSLLPVVNYL KDKLSNPVRL VKDYLDGVDV DATA SEQUENCE AEGELVVLEN VRFNKGEKKD DETLSKKYAA LCDVFVMDAF GTAHRAQAST DATA SEQUENCE HGIGKFADVA CAGPLLAAEL DALGKALKEP ARPMVAIVGG SKVSTKLTVL DATA SEQUENCE DSLSKIADQL IVGGGIANTF IAAQGHDVGK SLYEADLVDE AKRLLTTCNI DATA SEQUENCE PVPSDVRVAT EFSETAPATL KSVNDVKADE QILDIGDASA QELAEILKNA DATA SEQUENCE KTILWNGPVG VFEFPNFRKG TEIVANAIAD SEAFSIAGGG DTLAAIDLFG DATA SEQUENCE IADKISYIST GGGAFLEFVE GKVLPAVAML EERAKK 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.613 174.600 0.022 0.000 1.055 2 S CA 0.000 58.212 58.200 0.021 0.000 1.107 2 S CB 0.000 63.207 63.200 0.012 0.000 0.593 3 V N 2.723 122.647 119.914 0.016 0.000 2.914 3 V HA 0.756 4.875 4.120 -0.000 0.000 0.314 3 V C -0.163 175.933 176.094 0.003 0.000 1.084 3 V CA -1.079 61.229 62.300 0.015 0.000 0.963 3 V CB 1.530 33.365 31.823 0.020 0.000 1.025 3 V HN 0.875 nan 8.190 nan 0.000 0.432 4 I N 3.338 123.909 120.570 0.002 0.000 2.634 4 I HA 0.296 4.465 4.170 -0.000 0.000 0.284 4 I C 0.390 176.499 176.117 -0.014 0.000 1.124 4 I CA 0.062 61.360 61.300 -0.004 0.000 1.417 4 I CB 0.602 38.602 38.000 0.000 0.000 1.396 4 I HN 0.585 nan 8.210 nan 0.000 0.571 5 K N 6.972 127.363 120.400 -0.015 0.000 2.206 5 K HA 0.267 4.586 4.320 -0.000 0.000 0.264 5 K C 0.499 177.087 176.600 -0.021 0.000 0.967 5 K CA -0.668 55.606 56.287 -0.021 0.000 0.844 5 K CB 1.901 34.391 32.500 -0.018 0.000 1.099 5 K HN 0.690 nan 8.250 nan 0.000 0.441 6 M N 2.020 121.602 119.600 -0.030 0.000 2.144 6 M HA -0.213 4.267 4.480 -0.000 0.000 0.260 6 M C 1.410 177.702 176.300 -0.013 0.000 1.067 6 M CA 2.361 57.646 55.300 -0.025 0.000 1.095 6 M CB -0.220 32.359 32.600 -0.035 0.000 1.365 6 M HN 0.741 nan 8.290 nan 0.000 0.406 7 T N -2.982 111.564 114.554 -0.013 0.000 3.072 7 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 7 T C 0.934 175.630 174.700 -0.006 0.000 1.127 7 T CA 1.126 63.221 62.100 -0.008 0.000 1.107 7 T CB -0.391 68.472 68.868 -0.008 0.000 0.910 7 T HN 0.371 nan 8.240 nan 0.000 0.513 8 D N 0.637 121.033 120.400 -0.006 0.000 2.349 8 D HA 0.303 4.943 4.640 -0.000 0.000 0.214 8 D C 0.292 176.592 176.300 0.000 0.000 1.063 8 D CA 0.076 54.074 54.000 -0.003 0.000 0.847 8 D CB 0.288 41.086 40.800 -0.004 0.000 0.933 8 D HN 0.440 nan 8.370 nan 0.000 0.513 9 L N 0.412 121.636 121.223 0.001 0.000 2.334 9 L HA 0.341 4.681 4.340 -0.000 0.000 0.272 9 L C 0.036 176.911 176.870 0.007 0.000 1.020 9 L CA -1.023 53.820 54.840 0.006 0.000 0.812 9 L CB 1.717 43.781 42.059 0.007 0.000 1.264 9 L HN -0.305 nan 8.230 nan 0.000 0.439 10 D N 1.848 122.255 120.400 0.010 0.000 2.317 10 D HA 0.309 4.949 4.640 -0.000 0.000 0.234 10 D C 0.123 176.433 176.300 0.016 0.000 1.112 10 D CA -0.092 53.915 54.000 0.011 0.000 0.840 10 D CB 1.101 41.907 40.800 0.011 0.000 1.078 10 D HN 0.362 nan 8.370 nan 0.000 0.486 11 L N 2.577 123.809 121.223 0.016 0.000 2.769 11 L HA 0.398 4.738 4.340 -0.000 0.000 0.240 11 L C 0.948 177.831 176.870 0.021 0.000 1.163 11 L CA -0.588 54.264 54.840 0.021 0.000 0.962 11 L CB 0.046 42.116 42.059 0.020 0.000 1.258 11 L HN 0.371 nan 8.230 nan 0.000 0.513 12 A N 0.732 123.563 122.820 0.018 0.000 2.561 12 A HA 0.350 4.670 4.320 -0.000 0.000 0.251 12 A C 1.558 179.154 177.584 0.020 0.000 1.062 12 A CA 0.775 52.822 52.037 0.017 0.000 0.761 12 A CB -0.472 18.536 19.000 0.014 0.000 0.986 12 A HN 0.659 nan 8.150 nan 0.000 0.510 13 G N 2.260 111.072 108.800 0.021 0.000 2.187 13 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.261 13 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.261 13 G C 0.243 175.161 174.900 0.030 0.000 1.000 13 G CA 1.047 46.161 45.100 0.023 0.000 0.718 13 G HN 0.847 nan 8.290 nan 0.000 0.519 14 K N -0.068 120.352 120.400 0.033 0.000 2.138 14 K HA 0.450 4.770 4.320 -0.000 0.000 0.263 14 K C 0.484 177.115 176.600 0.053 0.000 0.965 14 K CA -0.880 55.433 56.287 0.043 0.000 0.868 14 K CB 1.262 33.789 32.500 0.044 0.000 1.083 14 K HN 0.184 nan 8.250 nan 0.000 0.443 15 R N 1.536 122.076 120.500 0.067 0.000 2.248 15 R HA 0.183 4.523 4.340 -0.000 0.000 0.328 15 R C -0.555 175.812 176.300 0.113 0.000 1.067 15 R CA -0.328 55.823 56.100 0.085 0.000 0.924 15 R CB 0.483 30.842 30.300 0.097 0.000 1.013 15 R HN 0.215 nan 8.270 nan 0.000 0.454 16 V N 5.085 125.062 119.914 0.104 0.000 2.384 16 V HA 0.252 4.372 4.120 -0.000 0.000 0.287 16 V C -0.709 175.483 176.094 0.164 0.000 1.020 16 V CA -0.720 61.655 62.300 0.126 0.000 0.850 16 V CB 1.260 33.124 31.823 0.069 0.000 0.987 16 V HN 0.532 nan 8.190 nan 0.000 0.436 17 F N 6.545 126.553 119.950 0.097 0.000 2.334 17 F HA 0.616 5.143 4.527 -0.001 0.000 0.367 17 F C -0.103 175.774 175.800 0.128 0.000 1.115 17 F CA -0.824 57.251 58.000 0.125 0.000 1.116 17 F CB 0.637 39.755 39.000 0.196 0.000 1.230 17 F HN 0.343 nan 8.300 nan 0.000 0.484 18 I N 6.080 126.676 120.570 0.043 0.000 2.321 18 I HA 0.312 4.481 4.170 -0.000 0.000 0.291 18 I C -0.226 175.923 176.117 0.054 0.000 0.998 18 I CA -0.965 60.366 61.300 0.051 0.000 1.227 18 I CB 1.197 39.180 38.000 -0.029 0.000 1.368 18 I HN 0.378 nan 8.210 nan 0.000 0.466 19 R N 6.117 126.754 120.500 0.229 0.000 2.205 19 R HA 0.633 4.973 4.340 -0.000 0.000 0.342 19 R C -0.812 175.557 176.300 0.116 0.000 1.058 19 R CA -0.166 56.075 56.100 0.235 0.000 0.904 19 R CB 0.510 31.073 30.300 0.440 0.000 1.089 19 R HN 0.726 nan 8.270 nan 0.000 0.471 20 A N 2.778 125.637 122.820 0.065 0.000 2.313 20 A HA 0.424 4.744 4.320 -0.000 0.000 0.323 20 A C -0.980 176.645 177.584 0.067 0.000 1.133 20 A CA -0.737 51.328 52.037 0.046 0.000 0.847 20 A CB 1.045 20.044 19.000 -0.001 0.000 1.308 20 A HN 0.676 nan 8.150 nan 0.000 0.475 21 D N 1.105 121.540 120.400 0.059 0.000 2.456 21 D HA 0.416 5.056 4.640 -0.000 0.000 0.219 21 D C -0.332 175.928 176.300 -0.066 0.000 1.126 21 D CA 0.054 54.080 54.000 0.044 0.000 0.890 21 D CB 0.125 40.991 40.800 0.111 0.000 1.025 21 D HN 0.350 nan 8.370 nan 0.000 0.511 22 L N 3.179 124.313 121.223 -0.149 0.000 3.110 22 L HA 0.250 4.589 4.340 -0.000 0.000 0.266 22 L C 0.767 177.505 176.870 -0.219 0.000 1.257 22 L CA -0.386 54.358 54.840 -0.159 0.000 1.038 22 L CB -0.165 41.821 42.059 -0.121 0.000 1.395 22 L HN 0.128 nan 8.230 nan 0.000 0.566 23 N N 2.058 120.568 118.700 -0.317 0.000 2.971 23 N HA 0.118 4.857 4.740 -0.000 0.000 0.294 23 N C -0.326 175.091 175.510 -0.155 0.000 1.210 23 N CA -0.114 52.748 53.050 -0.313 0.000 1.157 23 N CB 0.117 38.311 38.487 -0.488 0.000 1.450 23 N HN 0.178 nan 8.380 nan 0.000 0.527 24 V N 0.407 120.242 119.914 -0.132 0.000 2.716 24 V HA 0.713 4.832 4.120 -0.000 0.000 0.304 24 V C -2.203 173.850 176.094 -0.069 0.000 1.053 24 V CA -2.366 59.870 62.300 -0.106 0.000 0.984 24 V CB 0.970 32.706 31.823 -0.145 0.000 1.021 24 V HN 0.247 nan 8.190 nan 0.000 0.467 25 P HA 0.325 nan 4.420 nan 0.000 0.267 25 P C -0.753 176.528 177.300 -0.032 0.000 1.209 25 P CA 0.112 63.194 63.100 -0.031 0.000 0.763 25 P CB 0.800 32.483 31.700 -0.028 0.000 0.816 26 V N 4.573 124.474 119.914 -0.021 0.000 2.604 26 V HA 0.483 4.602 4.120 -0.000 0.000 0.305 26 V C 0.046 176.126 176.094 -0.023 0.000 1.043 26 V CA -0.446 61.841 62.300 -0.023 0.000 0.888 26 V CB 1.915 33.723 31.823 -0.025 0.000 0.995 26 V HN 0.437 nan 8.190 nan 0.000 0.429 27 K N 2.989 123.378 120.400 -0.018 0.000 2.541 27 K HA 0.344 4.663 4.320 -0.000 0.000 0.250 27 K C -0.871 175.720 176.600 -0.015 0.000 0.950 27 K CA -0.483 55.793 56.287 -0.018 0.000 0.805 27 K CB 1.165 33.658 32.500 -0.012 0.000 1.166 27 K HN 0.783 nan 8.250 nan 0.000 0.430 28 D N 3.391 123.778 120.400 -0.022 0.000 2.689 28 D HA -0.184 4.456 4.640 -0.000 0.000 0.237 28 D C 0.525 176.819 176.300 -0.010 0.000 1.148 28 D CA 1.671 55.661 54.000 -0.017 0.000 0.656 28 D CB -1.076 39.718 40.800 -0.010 0.000 1.050 28 D HN 1.130 nan 8.370 nan 0.000 0.426 29 G N -0.227 108.565 108.800 -0.015 0.000 2.153 29 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.252 29 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.252 29 G C 0.170 175.077 174.900 0.012 0.000 0.994 29 G CA 0.984 46.083 45.100 -0.002 0.000 0.698 29 G HN 0.513 nan 8.290 nan 0.000 0.521 30 K N -0.601 119.804 120.400 0.009 0.000 2.422 30 K HA 0.587 4.906 4.320 -0.000 0.000 0.251 30 K C 0.049 176.658 176.600 0.015 0.000 0.933 30 K CA -1.049 55.252 56.287 0.024 0.000 0.798 30 K CB 2.903 35.419 32.500 0.026 0.000 1.238 30 K HN 0.018 nan 8.250 nan 0.000 0.428 31 V N 2.384 122.315 119.914 0.027 0.000 2.572 31 V HA -0.013 4.106 4.120 -0.000 0.000 0.291 31 V C 1.283 177.378 176.094 0.001 0.000 1.039 31 V CA 0.434 62.728 62.300 -0.010 0.000 1.055 31 V CB 0.876 32.664 31.823 -0.059 0.000 0.969 31 V HN 1.071 nan 8.190 nan 0.000 0.482 32 T N -0.313 114.229 114.554 -0.020 0.000 2.990 32 T HA 0.168 4.518 4.350 -0.000 0.000 0.250 32 T C 0.581 175.267 174.700 -0.022 0.000 1.041 32 T CA -0.000 62.093 62.100 -0.011 0.000 1.010 32 T CB 0.339 69.200 68.868 -0.011 0.000 1.003 32 T HN 0.479 nan 8.240 nan 0.000 0.499 33 S N 2.692 118.362 115.700 -0.051 0.000 2.733 33 S HA 0.377 4.847 4.470 -0.000 0.000 0.294 33 S C -0.522 174.006 174.600 -0.119 0.000 1.149 33 S CA -0.794 57.368 58.200 -0.063 0.000 1.034 33 S CB 1.635 64.802 63.200 -0.055 0.000 1.015 33 S HN 0.527 nan 8.310 nan 0.000 0.486 34 D N 2.067 122.390 120.400 -0.129 0.000 2.363 34 D HA 0.190 4.830 4.640 -0.000 0.000 0.214 34 D C 1.479 177.671 176.300 -0.179 0.000 1.093 34 D CA -0.036 53.809 54.000 -0.259 0.000 0.837 34 D CB -0.089 40.539 40.800 -0.286 0.000 0.948 34 D HN 0.432 nan 8.370 nan 0.000 0.507 35 A N 1.633 124.389 122.820 -0.107 0.000 1.927 35 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 35 A C 2.287 179.819 177.584 -0.086 0.000 1.185 35 A CA 1.592 53.581 52.037 -0.079 0.000 0.639 35 A CB -0.598 18.360 19.000 -0.071 0.000 0.820 35 A HN 0.224 nan 8.150 nan 0.000 0.451 36 R N -0.762 119.675 120.500 -0.105 0.000 2.092 36 R HA -0.012 4.328 4.340 -0.000 0.000 0.231 36 R C 2.019 178.260 176.300 -0.098 0.000 1.119 36 R CA 1.509 57.555 56.100 -0.091 0.000 0.970 36 R CB -0.441 29.803 30.300 -0.094 0.000 0.864 36 R HN 0.654 nan 8.270 nan 0.000 0.440 37 I N 0.184 120.657 120.570 -0.163 0.000 2.286 37 I HA -0.213 3.956 4.170 -0.000 0.000 0.245 37 I C 2.340 178.433 176.117 -0.039 0.000 1.104 37 I CA 1.184 62.393 61.300 -0.151 0.000 1.397 37 I CB -0.321 37.450 38.000 -0.381 0.000 1.072 37 I HN 0.069 nan 8.210 nan 0.000 0.417 38 R N 1.093 121.577 120.500 -0.026 0.000 2.105 38 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 38 R C 2.479 178.784 176.300 0.009 0.000 1.135 38 R CA 1.532 57.652 56.100 0.034 0.000 0.967 38 R CB -0.464 29.858 30.300 0.035 0.000 0.861 38 R HN 0.397 nan 8.270 nan 0.000 0.442 39 A N 0.152 122.962 122.820 -0.016 0.000 1.930 39 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 39 A C 2.152 179.734 177.584 -0.003 0.000 1.175 39 A CA 1.755 53.784 52.037 -0.015 0.000 0.627 39 A CB -0.416 18.567 19.000 -0.028 0.000 0.815 39 A HN 0.310 nan 8.150 nan 0.000 0.443 40 S N -0.798 114.898 115.700 -0.006 0.000 2.436 40 S HA 0.006 4.476 4.470 -0.000 0.000 0.228 40 S C 1.905 176.510 174.600 0.007 0.000 1.014 40 S CA 0.825 59.024 58.200 -0.001 0.000 0.950 40 S CB -0.511 62.681 63.200 -0.013 0.000 0.784 40 S HN 0.476 nan 8.310 nan 0.000 0.504 41 L N 1.588 122.823 121.223 0.020 0.000 2.021 41 L HA -0.090 4.250 4.340 -0.000 0.000 0.215 41 L C -0.823 176.057 176.870 0.018 0.000 1.074 41 L CA 1.709 56.568 54.840 0.030 0.000 0.760 41 L CB -1.418 40.674 42.059 0.055 0.000 0.889 41 L HN 0.301 nan 8.230 nan 0.000 0.433 42 P HA -0.130 nan 4.420 nan 0.000 0.219 42 P C 1.476 178.779 177.300 0.005 0.000 1.146 42 P CA 1.333 64.438 63.100 0.010 0.000 0.808 42 P CB -0.075 31.631 31.700 0.010 0.000 0.779 43 T N -0.495 114.061 114.554 0.004 0.000 2.701 43 T HA -0.081 4.269 4.350 -0.000 0.000 0.263 43 T C 1.759 176.456 174.700 -0.004 0.000 1.040 43 T CA 1.100 63.199 62.100 -0.002 0.000 1.147 43 T CB -0.862 68.003 68.868 -0.005 0.000 0.865 43 T HN 0.073 nan 8.240 nan 0.000 0.426 44 I N 1.135 121.703 120.570 -0.003 0.000 2.163 44 I HA -0.175 3.995 4.170 -0.000 0.000 0.243 44 I C 2.679 178.795 176.117 -0.002 0.000 1.085 44 I CA 1.470 62.767 61.300 -0.006 0.000 1.347 44 I CB -0.455 37.543 38.000 -0.004 0.000 1.044 44 I HN 0.304 nan 8.210 nan 0.000 0.408 45 E N 0.546 120.748 120.200 0.003 0.000 2.150 45 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 45 E C 2.159 178.760 176.600 0.002 0.000 0.985 45 E CA 0.944 57.345 56.400 0.003 0.000 0.814 45 E CB -0.184 29.519 29.700 0.005 0.000 0.752 45 E HN 0.325 nan 8.360 nan 0.000 0.466 46 L N 1.216 122.440 121.223 0.002 0.000 2.043 46 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 46 L C 2.215 179.086 176.870 0.002 0.000 1.075 46 L CA 2.146 56.987 54.840 0.001 0.000 0.752 46 L CB -0.494 41.565 42.059 -0.000 0.000 0.891 46 L HN 0.023 nan 8.230 nan 0.000 0.432 47 A N -0.778 122.043 122.820 0.001 0.000 1.872 47 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 47 A C 2.235 179.822 177.584 0.005 0.000 1.187 47 A CA 1.656 53.695 52.037 0.004 0.000 0.614 47 A CB -0.835 18.167 19.000 0.003 0.000 0.826 47 A HN 0.480 nan 8.150 nan 0.000 0.442 48 L N -0.529 120.696 121.223 0.002 0.000 2.042 48 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 48 L C 2.509 179.381 176.870 0.003 0.000 1.076 48 L CA 1.773 56.614 54.840 0.002 0.000 0.749 48 L CB -0.409 41.650 42.059 0.000 0.000 0.893 48 L HN 0.333 nan 8.230 nan 0.000 0.432 49 K N -0.326 120.076 120.400 0.003 0.000 2.209 49 K HA -0.177 4.143 4.320 -0.000 0.000 0.204 49 K C 1.920 178.523 176.600 0.004 0.000 1.048 49 K CA 1.006 57.294 56.287 0.003 0.000 0.940 49 K CB -0.061 32.440 32.500 0.002 0.000 0.729 49 K HN 0.421 nan 8.250 nan 0.000 0.451 50 Q N -0.407 119.396 119.800 0.006 0.000 2.444 50 Q HA 0.036 4.376 4.340 -0.000 0.000 0.206 50 Q C 0.484 176.489 176.000 0.009 0.000 0.948 50 Q CA 0.412 56.220 55.803 0.007 0.000 0.946 50 Q CB 0.616 29.359 28.738 0.008 0.000 1.027 50 Q HN 0.479 nan 8.270 nan 0.000 0.513 51 G N 0.907 109.712 108.800 0.009 0.000 2.225 51 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.264 51 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.264 51 G C 0.034 174.942 174.900 0.013 0.000 1.060 51 G CA 0.103 45.209 45.100 0.010 0.000 0.833 51 G HN 0.480 nan 8.290 nan 0.000 0.498 52 A N -0.478 122.350 122.820 0.014 0.000 2.286 52 A HA 0.750 5.070 4.320 -0.000 0.000 0.286 52 A C 0.614 178.209 177.584 0.019 0.000 1.097 52 A CA -0.273 51.775 52.037 0.019 0.000 0.821 52 A CB 0.582 19.594 19.000 0.020 0.000 1.076 52 A HN 0.416 nan 8.150 nan 0.000 0.490 53 K N 1.299 121.714 120.400 0.026 0.000 2.206 53 K HA 0.397 4.717 4.320 -0.000 0.000 0.268 53 K C -1.140 175.473 176.600 0.023 0.000 1.111 53 K CA -0.158 56.144 56.287 0.025 0.000 0.955 53 K CB 0.741 33.261 32.500 0.034 0.000 1.406 53 K HN 0.379 nan 8.250 nan 0.000 0.427 54 V N 4.613 124.530 119.914 0.005 0.000 2.432 54 V HA 0.316 4.436 4.120 -0.000 0.000 0.275 54 V C 0.020 176.086 176.094 -0.046 0.000 1.043 54 V CA -0.510 61.783 62.300 -0.011 0.000 0.925 54 V CB 0.937 32.751 31.823 -0.015 0.000 0.985 54 V HN 0.685 nan 8.190 nan 0.000 0.466 55 M N 5.380 124.930 119.600 -0.084 0.000 2.181 55 M HA 0.564 5.044 4.480 -0.000 0.000 0.323 55 M C -0.913 175.210 176.300 -0.295 0.000 1.004 55 M CA -0.472 54.709 55.300 -0.199 0.000 0.941 55 M CB 2.170 34.621 32.600 -0.248 0.000 1.579 55 M HN 0.476 nan 8.290 nan 0.000 0.427 56 V N 2.606 122.358 119.914 -0.271 0.000 2.628 56 V HA 0.831 4.951 4.120 -0.000 0.000 0.306 56 V C -0.718 175.195 176.094 -0.301 0.000 1.045 56 V CA 0.057 62.204 62.300 -0.255 0.000 0.905 56 V CB 2.303 34.049 31.823 -0.128 0.000 0.997 56 V HN 0.929 nan 8.190 nan 0.000 0.436 57 T N 3.635 118.017 114.554 -0.288 0.000 2.816 57 T HA 0.726 5.075 4.350 -0.000 0.000 0.299 57 T C -1.196 173.460 174.700 -0.073 0.000 1.230 57 T CA 0.147 62.123 62.100 -0.206 0.000 1.007 57 T CB 1.867 70.556 68.868 -0.298 0.000 1.289 57 T HN 1.088 nan 8.240 nan 0.000 0.508 58 S N 0.227 115.913 115.700 -0.024 0.000 2.611 58 S HA 0.487 4.957 4.470 -0.000 0.000 0.268 58 S C -1.694 172.929 174.600 0.037 0.000 1.156 58 S CA -0.783 57.425 58.200 0.013 0.000 0.817 58 S CB 0.863 64.008 63.200 -0.091 0.000 1.122 58 S HN 0.944 nan 8.310 nan 0.000 0.466 59 H N 1.607 120.664 119.070 -0.022 0.000 2.505 59 H HA 0.800 5.356 4.556 -0.000 0.000 0.351 59 H C -0.899 174.390 175.328 -0.066 0.000 1.151 59 H CA -0.720 55.294 56.048 -0.057 0.000 1.339 59 H CB 1.007 30.740 29.762 -0.048 0.000 1.483 59 H HN 0.559 nan 8.280 nan 0.000 0.558 60 L N 1.723 122.863 121.223 -0.137 0.000 2.505 60 L HA 0.447 4.787 4.340 -0.000 0.000 0.266 60 L C 0.535 177.373 176.870 -0.053 0.000 0.954 60 L CA 0.555 55.316 54.840 -0.130 0.000 0.852 60 L CB 1.606 43.615 42.059 -0.084 0.000 1.282 60 L HN 1.172 nan 8.230 nan 0.000 0.403 61 G N 3.959 112.763 108.800 0.008 0.000 2.574 61 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.282 61 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.282 61 G C -0.165 174.578 174.900 -0.261 0.000 1.257 61 G CA 0.260 45.379 45.100 0.032 0.000 0.956 61 G HN 0.717 nan 8.290 nan 0.000 0.560 62 R N 1.338 121.424 120.500 -0.689 0.000 2.587 62 R HA 0.419 4.759 4.340 -0.000 0.000 0.283 62 R C -2.504 173.101 176.300 -1.159 0.000 1.472 62 R CA -1.225 54.467 56.100 -0.681 0.000 1.578 62 R CB 1.875 31.989 30.300 -0.310 0.000 1.130 62 R HN 0.403 nan 8.270 nan 0.000 0.602 63 P HA 0.279 nan 4.420 nan 0.000 0.283 63 P C -0.607 176.595 177.300 -0.163 0.000 1.271 63 P CA -0.536 62.243 63.100 -0.536 0.000 0.841 63 P CB 1.381 32.843 31.700 -0.396 0.000 1.122 64 T N 0.689 115.258 114.554 0.024 0.000 2.799 64 T HA 0.220 4.570 4.350 -0.000 0.000 0.286 64 T C -0.039 174.746 174.700 0.141 0.000 0.973 64 T CA -0.537 61.598 62.100 0.059 0.000 1.035 64 T CB 0.322 69.229 68.868 0.065 0.000 0.932 64 T HN 0.312 nan 8.240 nan 0.000 0.469 65 E N 1.329 121.590 120.200 0.103 0.000 2.417 65 E HA 0.312 4.662 4.350 -0.000 0.000 0.261 65 E C 1.263 177.934 176.600 0.118 0.000 1.000 65 E CA 0.606 57.084 56.400 0.130 0.000 0.919 65 E CB 0.283 30.032 29.700 0.081 0.000 0.955 65 E HN 0.998 nan 8.360 nan 0.000 0.455 66 G N 3.634 112.518 108.800 0.141 0.000 2.268 66 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.240 66 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.240 66 G C 0.270 175.215 174.900 0.075 0.000 1.010 66 G CA 0.240 45.390 45.100 0.085 0.000 0.618 66 G HN 0.574 nan 8.290 nan 0.000 0.516 67 E N 0.543 120.811 120.200 0.113 0.000 2.028 67 E HA 0.483 4.833 4.350 -0.000 0.000 0.266 67 E C -0.347 176.284 176.600 0.053 0.000 0.962 67 E CA -1.056 55.399 56.400 0.092 0.000 0.784 67 E CB 0.176 29.940 29.700 0.106 0.000 1.114 67 E HN 0.345 nan 8.360 nan 0.000 0.414 68 Y N 4.388 124.533 120.300 -0.258 0.000 2.480 68 Y HA 0.116 4.666 4.550 -0.000 0.000 0.338 68 Y C -0.604 175.145 175.900 -0.253 0.000 1.220 68 Y CA 0.549 58.249 58.100 -0.666 0.000 1.430 68 Y CB 0.635 38.761 38.460 -0.557 0.000 1.311 68 Y HN 0.554 nan 8.280 nan 0.000 0.575 69 N N 4.082 122.142 118.700 -1.067 0.000 2.542 69 N HA 0.063 4.802 4.740 -0.000 0.000 0.288 69 N C -0.062 175.071 175.510 -0.628 0.000 1.115 69 N CA -0.422 52.337 53.050 -0.486 0.000 0.924 69 N CB 1.122 39.695 38.487 0.143 0.000 1.526 69 N HN 0.754 nan 8.380 nan 0.000 0.515 70 E N 1.874 121.769 120.200 -0.508 0.000 2.209 70 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 70 E C 1.271 177.767 176.600 -0.174 0.000 0.993 70 E CA 1.545 57.820 56.400 -0.210 0.000 0.819 70 E CB 0.178 29.862 29.700 -0.027 0.000 0.745 70 E HN 0.703 nan 8.360 nan 0.000 0.477 71 E N -1.289 118.721 120.200 -0.316 0.000 2.110 71 E HA -0.167 4.182 4.350 -0.000 0.000 0.193 71 E C 0.372 176.642 176.600 -0.551 0.000 0.988 71 E CA 1.019 57.107 56.400 -0.519 0.000 0.804 71 E CB -0.053 29.138 29.700 -0.848 0.000 0.745 71 E HN 0.355 nan 8.360 nan 0.000 0.458 72 F N 0.149 120.110 119.950 0.018 0.000 2.647 72 F HA 0.266 4.793 4.527 -0.000 0.000 0.300 72 F C 0.662 176.468 175.800 0.010 0.000 1.106 72 F CA -0.389 57.601 58.000 -0.018 0.000 1.313 72 F CB 0.414 39.360 39.000 -0.090 0.000 1.007 72 F HN -0.194 nan 8.300 nan 0.000 0.536 73 S N 0.596 116.414 115.700 0.198 0.000 2.585 73 S HA 0.264 4.733 4.470 -0.000 0.000 0.273 73 S C 1.062 175.752 174.600 0.149 0.000 1.339 73 S CA -0.449 57.908 58.200 0.262 0.000 1.028 73 S CB 0.709 64.055 63.200 0.243 0.000 0.906 73 S HN 0.394 nan 8.310 nan 0.000 0.528 74 L N 4.267 125.584 121.223 0.157 0.000 2.612 74 L HA 0.093 4.433 4.340 -0.000 0.000 0.230 74 L C 1.833 178.749 176.870 0.077 0.000 1.140 74 L CA -0.034 54.855 54.840 0.081 0.000 0.896 74 L CB -0.352 41.743 42.059 0.061 0.000 1.065 74 L HN 0.670 nan 8.230 nan 0.000 0.447 75 L N 1.843 123.127 121.223 0.103 0.000 2.013 75 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 75 L C -0.374 176.535 176.870 0.064 0.000 1.073 75 L CA 2.261 57.153 54.840 0.086 0.000 0.753 75 L CB -1.347 40.771 42.059 0.097 0.000 0.890 75 L HN 0.129 nan 8.230 nan 0.000 0.432 76 P HA -0.129 nan 4.420 nan 0.000 0.218 76 P C 1.940 179.276 177.300 0.061 0.000 1.148 76 P CA 1.463 64.592 63.100 0.047 0.000 0.822 76 P CB -0.052 31.662 31.700 0.024 0.000 0.784 77 V N -0.015 119.922 119.914 0.038 0.000 2.453 77 V HA -0.153 3.967 4.120 -0.000 0.000 0.247 77 V C 2.819 178.965 176.094 0.087 0.000 1.048 77 V CA 1.364 63.683 62.300 0.032 0.000 1.049 77 V CB -1.107 30.703 31.823 -0.021 0.000 0.672 77 V HN -0.063 nan 8.190 nan 0.000 0.457 78 V N 0.880 120.834 119.914 0.067 0.000 2.287 78 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 78 V C 2.386 178.524 176.094 0.073 0.000 1.053 78 V CA 2.257 64.595 62.300 0.063 0.000 1.027 78 V CB -0.897 30.956 31.823 0.051 0.000 0.646 78 V HN 0.558 nan 8.190 nan 0.000 0.447 79 N N -0.616 118.131 118.700 0.077 0.000 2.069 79 N HA -0.212 4.528 4.740 -0.000 0.000 0.191 79 N C 1.744 177.300 175.510 0.076 0.000 1.031 79 N CA 1.932 55.020 53.050 0.064 0.000 0.852 79 N CB -0.609 37.914 38.487 0.059 0.000 1.018 79 N HN 0.663 nan 8.380 nan 0.000 0.423 80 Y N 1.663 121.961 120.300 -0.004 0.000 2.081 80 Y HA -0.156 4.394 4.550 -0.001 0.000 0.280 80 Y C 2.242 178.137 175.900 -0.009 0.000 1.163 80 Y CA 1.513 59.608 58.100 -0.008 0.000 1.135 80 Y CB -0.430 38.023 38.460 -0.011 0.000 0.970 80 Y HN -0.013 nan 8.280 nan 0.000 0.498 81 L N 0.133 121.481 121.223 0.209 0.000 2.079 81 L HA -0.263 4.076 4.340 -0.000 0.000 0.210 81 L C 2.439 179.308 176.870 -0.001 0.000 1.081 81 L CA 1.641 56.545 54.840 0.107 0.000 0.752 81 L CB -0.520 41.601 42.059 0.103 0.000 0.896 81 L HN 0.217 nan 8.230 nan 0.000 0.433 82 K N -0.184 120.214 120.400 -0.004 0.000 2.057 82 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 82 K C 1.670 178.234 176.600 -0.061 0.000 1.049 82 K CA 1.496 57.769 56.287 -0.023 0.000 0.931 82 K CB -0.153 32.342 32.500 -0.008 0.000 0.714 82 K HN 0.302 nan 8.250 nan 0.000 0.440 83 D N 0.599 120.935 120.400 -0.107 0.000 2.178 83 D HA -0.100 4.540 4.640 -0.000 0.000 0.202 83 D C 1.465 177.662 176.300 -0.173 0.000 0.974 83 D CA 1.057 54.969 54.000 -0.145 0.000 0.841 83 D CB 0.131 40.813 40.800 -0.196 0.000 0.953 83 D HN 0.063 nan 8.370 nan 0.000 0.478 84 K N -0.271 119.999 120.400 -0.216 0.000 2.367 84 K HA 0.136 4.455 4.320 -0.000 0.000 0.194 84 K C 0.172 176.722 176.600 -0.083 0.000 1.027 84 K CA -0.144 56.033 56.287 -0.184 0.000 1.075 84 K CB 0.983 33.327 32.500 -0.260 0.000 0.845 84 K HN 0.069 nan 8.250 nan 0.000 0.529 85 L N 0.043 121.230 121.223 -0.060 0.000 2.386 85 L HA 0.257 4.597 4.340 -0.000 0.000 0.271 85 L C 1.096 177.950 176.870 -0.027 0.000 0.993 85 L CA 0.012 54.834 54.840 -0.031 0.000 0.819 85 L CB 2.108 44.159 42.059 -0.014 0.000 1.294 85 L HN -0.188 nan 8.230 nan 0.000 0.414 86 S N 0.799 116.486 115.700 -0.021 0.000 2.406 86 S HA 0.085 4.555 4.470 -0.000 0.000 0.228 86 S C 0.668 175.261 174.600 -0.011 0.000 1.020 86 S CA 0.247 58.437 58.200 -0.017 0.000 0.965 86 S CB -0.237 62.955 63.200 -0.014 0.000 0.798 86 S HN 0.668 nan 8.310 nan 0.000 0.488 87 N N 3.087 121.782 118.700 -0.009 0.000 2.407 87 N HA 0.073 4.813 4.740 -0.000 0.000 0.250 87 N C -2.788 172.719 175.510 -0.005 0.000 1.236 87 N CA -0.428 52.619 53.050 -0.005 0.000 0.879 87 N CB -0.023 38.462 38.487 -0.004 0.000 1.088 87 N HN 0.193 nan 8.380 nan 0.000 0.450 88 P HA 0.082 nan 4.420 nan 0.000 0.271 88 P C -0.586 176.714 177.300 0.000 0.000 1.226 88 P CA 0.024 63.124 63.100 -0.000 0.000 0.765 88 P CB 0.677 32.378 31.700 0.002 0.000 0.835 89 V N 5.376 125.291 119.914 0.002 0.000 2.555 89 V HA 0.627 4.747 4.120 -0.000 0.000 0.302 89 V C 0.506 176.605 176.094 0.009 0.000 1.038 89 V CA -0.585 61.717 62.300 0.004 0.000 0.887 89 V CB 1.712 33.539 31.823 0.007 0.000 0.991 89 V HN 0.681 nan 8.190 nan 0.000 0.434 90 R N 3.549 124.054 120.500 0.008 0.000 2.668 90 R HA 0.768 5.107 4.340 -0.000 0.000 0.272 90 R C -1.921 174.390 176.300 0.018 0.000 1.019 90 R CA -0.934 55.176 56.100 0.016 0.000 0.894 90 R CB 1.886 32.197 30.300 0.017 0.000 1.228 90 R HN 0.528 nan 8.270 nan 0.000 0.460 91 L N 2.277 123.521 121.223 0.035 0.000 2.292 91 L HA 0.481 4.821 4.340 -0.000 0.000 0.284 91 L C -1.148 175.762 176.870 0.067 0.000 1.065 91 L CA -0.318 54.553 54.840 0.051 0.000 0.806 91 L CB 1.777 43.883 42.059 0.077 0.000 1.175 91 L HN 0.548 nan 8.230 nan 0.000 0.431 92 V N 6.255 126.218 119.914 0.082 0.000 2.487 92 V HA 0.385 4.505 4.120 -0.000 0.000 0.298 92 V C 0.536 176.794 176.094 0.274 0.000 1.028 92 V CA -0.579 61.804 62.300 0.139 0.000 0.860 92 V CB 1.394 33.292 31.823 0.125 0.000 0.991 92 V HN 0.837 nan 8.190 nan 0.000 0.427 93 K N 1.674 122.212 120.400 0.230 0.000 2.276 93 K HA 0.115 4.434 4.320 -0.000 0.000 0.198 93 K C 0.115 176.800 176.600 0.143 0.000 1.052 93 K CA 0.405 56.826 56.287 0.222 0.000 0.984 93 K CB 0.382 32.907 32.500 0.041 0.000 0.836 93 K HN 0.857 nan 8.250 nan 0.000 0.490 94 D N 0.162 120.623 120.400 0.102 0.000 2.453 94 D HA 0.050 4.689 4.640 -0.000 0.000 0.238 94 D C -0.167 176.181 176.300 0.079 0.000 1.088 94 D CA -0.702 53.281 54.000 -0.028 0.000 0.854 94 D CB 0.744 41.518 40.800 -0.043 0.000 1.076 94 D HN 0.234 nan 8.370 nan 0.000 0.533 95 Y N -0.252 120.091 120.300 0.072 0.000 2.563 95 Y HA 0.234 4.784 4.550 -0.000 0.000 0.273 95 Y C 1.122 177.079 175.900 0.095 0.000 1.034 95 Y CA -0.613 57.541 58.100 0.091 0.000 1.217 95 Y CB -0.211 38.324 38.460 0.126 0.000 1.380 95 Y HN 0.174 nan 8.280 nan 0.000 0.568 96 L N 1.682 122.804 121.223 -0.168 0.000 2.187 96 L HA -0.096 4.243 4.340 -0.000 0.000 0.213 96 L C 0.243 177.104 176.870 -0.016 0.000 1.100 96 L CA 1.416 56.201 54.840 -0.092 0.000 0.765 96 L CB -0.471 41.450 42.059 -0.230 0.000 0.904 96 L HN 0.315 nan 8.230 nan 0.000 0.437 97 D N 0.153 120.551 120.400 -0.004 0.000 3.068 97 D HA 0.477 5.116 4.640 -0.000 0.000 0.327 97 D C 0.454 176.781 176.300 0.046 0.000 1.361 97 D CA 0.573 54.578 54.000 0.009 0.000 0.877 97 D CB 0.299 41.088 40.800 -0.018 0.000 1.088 97 D HN 0.187 nan 8.370 nan 0.000 0.489 98 G N -0.194 108.662 108.800 0.092 0.000 2.907 98 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.686 98 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.686 98 G C -0.742 174.237 174.900 0.131 0.000 1.115 98 G CA -0.902 44.260 45.100 0.102 0.000 0.760 98 G HN 0.167 nan 8.290 nan 0.000 0.620 99 V N 1.036 121.029 119.914 0.133 0.000 2.709 99 V HA 0.593 4.713 4.120 -0.000 0.000 0.308 99 V C -0.600 175.544 176.094 0.084 0.000 1.062 99 V CA -1.339 61.035 62.300 0.124 0.000 0.901 99 V CB 2.204 34.109 31.823 0.138 0.000 1.003 99 V HN 0.737 nan 8.190 nan 0.000 0.425 100 D N 3.057 123.497 120.400 0.066 0.000 2.339 100 D HA 0.455 5.095 4.640 -0.000 0.000 0.241 100 D C -0.609 175.715 176.300 0.040 0.000 1.183 100 D CA 0.283 54.312 54.000 0.049 0.000 0.859 100 D CB 1.822 42.646 40.800 0.040 0.000 1.067 100 D HN 0.372 nan 8.370 nan 0.000 0.484 101 V N 1.743 121.680 119.914 0.038 0.000 2.531 101 V HA 0.627 4.747 4.120 -0.000 0.000 0.301 101 V C 0.363 176.473 176.094 0.026 0.000 1.034 101 V CA -1.016 61.301 62.300 0.029 0.000 0.865 101 V CB 1.618 33.459 31.823 0.029 0.000 0.995 101 V HN 0.562 nan 8.190 nan 0.000 0.424 102 A N 3.377 126.209 122.820 0.020 0.000 2.264 102 A HA 0.696 5.016 4.320 -0.000 0.000 0.304 102 A C 0.083 177.677 177.584 0.016 0.000 1.100 102 A CA -0.627 51.420 52.037 0.018 0.000 0.839 102 A CB 0.422 19.430 19.000 0.015 0.000 1.121 102 A HN 0.848 nan 8.150 nan 0.000 0.496 103 E N -0.322 119.887 120.200 0.015 0.000 2.384 103 E HA 0.371 4.721 4.350 -0.000 0.000 0.266 103 E C 1.017 177.623 176.600 0.010 0.000 1.012 103 E CA 0.947 57.356 56.400 0.014 0.000 0.901 103 E CB 0.414 30.122 29.700 0.014 0.000 0.967 103 E HN 1.250 nan 8.360 nan 0.000 0.435 104 G N 2.864 111.669 108.800 0.008 0.000 2.205 104 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.261 104 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.261 104 G C 0.164 175.066 174.900 0.003 0.000 0.980 104 G CA 0.784 45.887 45.100 0.005 0.000 0.632 104 G HN 0.643 nan 8.290 nan 0.000 0.533 105 E N -0.297 119.905 120.200 0.004 0.000 2.250 105 E HA 0.734 5.084 4.350 -0.000 0.000 0.269 105 E C -0.506 176.092 176.600 -0.004 0.000 1.018 105 E CA -1.230 55.171 56.400 0.001 0.000 0.873 105 E CB 1.753 31.455 29.700 0.004 0.000 1.134 105 E HN 0.498 nan 8.360 nan 0.000 0.403 106 L N 3.057 124.275 121.223 -0.008 0.000 2.325 106 L HA 0.400 4.740 4.340 -0.000 0.000 0.281 106 L C -1.484 175.372 176.870 -0.024 0.000 1.004 106 L CA -0.801 54.028 54.840 -0.018 0.000 0.823 106 L CB 1.764 43.813 42.059 -0.016 0.000 1.236 106 L HN 0.551 nan 8.230 nan 0.000 0.415 107 V N 6.018 125.907 119.914 -0.043 0.000 2.398 107 V HA 0.415 4.535 4.120 -0.000 0.000 0.286 107 V C -0.289 175.745 176.094 -0.100 0.000 1.026 107 V CA -0.669 61.598 62.300 -0.055 0.000 0.868 107 V CB 1.778 33.570 31.823 -0.052 0.000 0.982 107 V HN 0.513 nan 8.190 nan 0.000 0.443 108 V N 6.979 126.845 119.914 -0.079 0.000 2.348 108 V HA 0.335 4.455 4.120 -0.000 0.000 0.270 108 V C 0.142 176.155 176.094 -0.134 0.000 1.037 108 V CA -0.420 61.819 62.300 -0.102 0.000 0.872 108 V CB 1.069 32.868 31.823 -0.040 0.000 1.002 108 V HN 0.614 nan 8.190 nan 0.000 0.464 109 L N 3.691 124.743 121.223 -0.285 0.000 2.360 109 L HA 0.339 4.678 4.340 -0.000 0.000 0.276 109 L C 0.708 177.496 176.870 -0.135 0.000 1.121 109 L CA -0.289 54.256 54.840 -0.492 0.000 0.845 109 L CB 0.505 41.946 42.059 -1.031 0.000 1.143 109 L HN 0.592 nan 8.230 nan 0.000 0.452 110 E N 3.940 124.254 120.200 0.190 0.000 2.467 110 E HA -0.149 4.200 4.350 -0.000 0.000 0.264 110 E C 0.274 177.104 176.600 0.384 0.000 1.020 110 E CA 0.335 56.958 56.400 0.372 0.000 0.945 110 E CB 0.281 30.299 29.700 0.531 0.000 0.942 110 E HN 0.510 nan 8.360 nan 0.000 0.449 111 N N 2.673 121.524 118.700 0.252 0.000 1.660 111 N HA -0.199 4.541 4.740 -0.000 0.000 0.338 111 N C 1.162 176.759 175.510 0.145 0.000 1.283 111 N CA 0.360 53.432 53.050 0.036 0.000 0.804 111 N CB 0.355 38.597 38.487 -0.407 0.000 1.049 111 N HN 0.454 nan 8.380 nan 0.000 0.511 112 V N 2.170 122.191 119.914 0.179 0.000 2.720 112 V HA -0.155 3.965 4.120 -0.000 0.000 0.256 112 V C 1.986 178.209 176.094 0.215 0.000 1.082 112 V CA 1.183 63.661 62.300 0.298 0.000 1.101 112 V CB -0.344 31.633 31.823 0.257 0.000 0.693 112 V HN 0.649 nan 8.190 nan 0.000 0.479 113 R N -0.824 119.704 120.500 0.046 0.000 2.307 113 R HA 0.126 4.466 4.340 -0.000 0.000 0.199 113 R C 1.796 178.117 176.300 0.035 0.000 1.000 113 R CA 0.669 56.764 56.100 -0.008 0.000 1.023 113 R CB -0.541 29.693 30.300 -0.109 0.000 0.908 113 R HN 0.560 nan 8.270 nan 0.000 0.473 114 F N 1.158 121.190 119.950 0.137 0.000 2.456 114 F HA 0.007 4.534 4.527 -0.000 0.000 0.298 114 F C 0.712 176.575 175.800 0.105 0.000 1.104 114 F CA -0.148 57.931 58.000 0.132 0.000 1.435 114 F CB -0.346 38.774 39.000 0.200 0.000 1.078 114 F HN -0.127 nan 8.300 nan 0.000 0.546 115 N N 1.470 120.344 118.700 0.290 0.000 2.488 115 N HA 0.051 4.791 4.740 -0.000 0.000 0.274 115 N C -0.076 175.500 175.510 0.110 0.000 1.111 115 N CA -0.116 53.036 53.050 0.169 0.000 0.974 115 N CB 0.625 39.211 38.487 0.165 0.000 1.089 115 N HN 0.097 nan 8.380 nan 0.000 0.465 116 K N 0.683 121.118 120.400 0.059 0.000 2.416 116 K HA 0.207 4.526 4.320 -0.000 0.000 0.283 116 K C 0.936 177.546 176.600 0.016 0.000 1.037 116 K CA 0.305 56.612 56.287 0.034 0.000 0.995 116 K CB 0.396 32.904 32.500 0.013 0.000 0.938 116 K HN 0.848 nan 8.250 nan 0.000 0.475 117 G N 2.504 111.320 108.800 0.025 0.000 2.195 117 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.224 117 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.224 117 G C 0.883 175.813 174.900 0.050 0.000 0.990 117 G CA 0.353 45.466 45.100 0.021 0.000 0.639 117 G HN 0.640 nan 8.290 nan 0.000 0.514 118 E N 1.023 121.270 120.200 0.078 0.000 2.031 118 E HA -0.011 4.338 4.350 -0.000 0.000 0.193 118 E C 2.293 178.936 176.600 0.071 0.000 0.994 118 E CA 2.066 58.538 56.400 0.120 0.000 0.800 118 E CB -0.297 29.492 29.700 0.149 0.000 0.752 118 E HN 0.576 nan 8.360 nan 0.000 0.447 119 K N -0.139 120.281 120.400 0.033 0.000 2.147 119 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 119 K C 1.839 178.436 176.600 -0.005 0.000 1.049 119 K CA 1.264 57.550 56.287 -0.003 0.000 0.936 119 K CB 0.005 32.494 32.500 -0.018 0.000 0.722 119 K HN 0.021 nan 8.250 nan 0.000 0.446 120 K N 0.579 120.985 120.400 0.011 0.000 2.404 120 K HA -0.038 4.281 4.320 -0.000 0.000 0.194 120 K C -0.402 176.214 176.600 0.027 0.000 1.023 120 K CA 0.170 56.462 56.287 0.008 0.000 1.094 120 K CB 0.320 32.825 32.500 0.008 0.000 0.841 120 K HN 0.021 nan 8.250 nan 0.000 0.523 121 D N 2.219 122.649 120.400 0.050 0.000 2.716 121 D HA -0.176 4.464 4.640 -0.000 0.000 0.239 121 D C -0.820 175.537 176.300 0.096 0.000 1.125 121 D CA 0.561 54.616 54.000 0.091 0.000 0.681 121 D CB -1.238 39.621 40.800 0.098 0.000 1.070 121 D HN 0.300 nan 8.370 nan 0.000 0.432 122 D N 0.078 120.519 120.400 0.067 0.000 2.493 122 D HA -0.001 4.639 4.640 -0.000 0.000 0.240 122 D C 1.458 177.784 176.300 0.044 0.000 1.142 122 D CA 0.298 54.321 54.000 0.038 0.000 0.872 122 D CB 0.733 41.534 40.800 0.002 0.000 1.173 122 D HN 0.168 nan 8.370 nan 0.000 0.467 123 E N 1.915 122.139 120.200 0.039 0.000 2.051 123 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 123 E C 1.780 178.288 176.600 -0.154 0.000 0.991 123 E CA 1.463 57.876 56.400 0.021 0.000 0.799 123 E CB -0.127 29.587 29.700 0.023 0.000 0.748 123 E HN 0.610 nan 8.360 nan 0.000 0.449 124 T N 2.064 116.534 114.554 -0.140 0.000 2.746 124 T HA -0.155 4.194 4.350 -0.000 0.000 0.267 124 T C 1.931 176.508 174.700 -0.205 0.000 1.039 124 T CA 0.948 62.938 62.100 -0.182 0.000 1.142 124 T CB -0.288 68.502 68.868 -0.129 0.000 0.866 124 T HN 0.030 nan 8.240 nan 0.000 0.444 125 L N 1.265 122.379 121.223 -0.182 0.000 2.056 125 L HA -0.005 4.335 4.340 -0.000 0.000 0.207 125 L C 2.449 179.110 176.870 -0.348 0.000 1.078 125 L CA 1.656 56.322 54.840 -0.290 0.000 0.749 125 L CB -0.910 41.010 42.059 -0.230 0.000 0.901 125 L HN 0.090 nan 8.230 nan 0.000 0.433 126 S N -0.327 115.308 115.700 -0.108 0.000 2.368 126 S HA -0.198 4.272 4.470 -0.000 0.000 0.225 126 S C 1.887 176.487 174.600 -0.001 0.000 1.030 126 S CA 1.557 59.806 58.200 0.082 0.000 0.999 126 S CB -0.279 63.080 63.200 0.265 0.000 0.844 126 S HN 0.471 nan 8.310 nan 0.000 0.459 127 K N 1.113 121.349 120.400 -0.272 0.000 2.097 127 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 127 K C 2.158 178.653 176.600 -0.175 0.000 1.049 127 K CA 1.043 57.101 56.287 -0.382 0.000 0.933 127 K CB -0.097 32.050 32.500 -0.588 0.000 0.717 127 K HN 0.252 nan 8.250 nan 0.000 0.442 128 K N -0.194 120.095 120.400 -0.184 0.000 2.057 128 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 128 K C 2.047 178.641 176.600 -0.011 0.000 1.050 128 K CA 1.319 57.531 56.287 -0.125 0.000 0.935 128 K CB -0.155 32.229 32.500 -0.193 0.000 0.715 128 K HN 0.083 nan 8.250 nan 0.000 0.439 129 Y N 0.827 121.106 120.300 -0.035 0.000 2.128 129 Y HA -0.217 4.333 4.550 -0.000 0.000 0.284 129 Y C 2.481 178.261 175.900 -0.200 0.000 1.154 129 Y CA 1.021 59.053 58.100 -0.113 0.000 1.149 129 Y CB -0.918 37.345 38.460 -0.328 0.000 0.976 129 Y HN 0.075 nan 8.280 nan 0.000 0.505 130 A N -0.169 122.651 122.820 -0.001 0.000 1.930 130 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 130 A C 2.442 180.056 177.584 0.050 0.000 1.175 130 A CA 1.657 53.687 52.037 -0.013 0.000 0.627 130 A CB -1.183 17.854 19.000 0.062 0.000 0.815 130 A HN 0.373 nan 8.150 nan 0.000 0.443 131 A N -0.364 122.485 122.820 0.048 0.000 2.070 131 A HA 0.033 4.353 4.320 -0.000 0.000 0.220 131 A C 1.956 179.598 177.584 0.097 0.000 1.159 131 A CA 1.228 53.298 52.037 0.056 0.000 0.656 131 A CB -0.542 18.471 19.000 0.023 0.000 0.800 131 A HN 0.491 nan 8.150 nan 0.000 0.453 132 L N -0.723 120.590 121.223 0.149 0.000 2.395 132 L HA -0.007 4.332 4.340 -0.000 0.000 0.218 132 L C 1.127 178.121 176.870 0.207 0.000 1.130 132 L CA 0.286 55.251 54.840 0.209 0.000 0.826 132 L CB -0.644 41.618 42.059 0.339 0.000 0.941 132 L HN 0.764 nan 8.230 nan 0.000 0.451 133 C N -4.017 115.394 119.300 0.186 0.000 2.971 133 C HA 0.453 4.913 4.460 -0.000 0.000 0.310 133 C C 0.971 176.042 174.990 0.136 0.000 1.285 133 C CA -0.837 58.295 59.018 0.189 0.000 1.593 133 C CB 2.046 29.955 27.740 0.282 0.000 2.076 133 C HN 0.133 nan 8.230 nan 0.000 0.472 134 D N 0.232 120.707 120.400 0.126 0.000 2.323 134 D HA 0.143 4.783 4.640 -0.000 0.000 0.218 134 D C 0.188 176.554 176.300 0.110 0.000 0.973 134 D CA 1.297 55.356 54.000 0.099 0.000 0.890 134 D CB 0.685 41.532 40.800 0.078 0.000 1.011 134 D HN 0.468 nan 8.370 nan 0.000 0.499 135 V N 1.833 121.828 119.914 0.134 0.000 2.531 135 V HA 0.261 4.381 4.120 -0.000 0.000 0.301 135 V C -0.868 175.359 176.094 0.223 0.000 1.034 135 V CA -1.011 61.372 62.300 0.138 0.000 0.865 135 V CB 2.180 34.055 31.823 0.086 0.000 0.995 135 V HN -0.053 nan 8.190 nan 0.000 0.424 136 F N 6.113 126.102 119.950 0.066 0.000 2.410 136 F HA 0.743 5.270 4.527 0.000 0.000 0.349 136 F C -0.425 175.425 175.800 0.082 0.000 1.117 136 F CA -0.775 57.273 58.000 0.079 0.000 1.104 136 F CB 1.446 40.435 39.000 -0.019 0.000 1.122 136 F HN 0.253 nan 8.300 nan 0.000 0.483 137 V N 8.311 127.933 119.914 -0.487 0.000 2.357 137 V HA 0.284 4.404 4.120 -0.000 0.000 0.284 137 V C -0.177 175.455 176.094 -0.770 0.000 1.018 137 V CA -0.709 61.270 62.300 -0.535 0.000 0.841 137 V CB 1.089 32.809 31.823 -0.171 0.000 0.991 137 V HN 0.814 nan 8.190 nan 0.000 0.437 138 M N 4.316 123.422 119.600 -0.824 0.000 2.084 138 M HA 0.443 4.923 4.480 -0.000 0.000 0.351 138 M C -0.171 176.057 176.300 -0.120 0.000 1.240 138 M CA 0.001 55.069 55.300 -0.385 0.000 1.083 138 M CB 0.299 32.774 32.600 -0.208 0.000 1.593 138 M HN 0.555 nan 8.290 nan 0.000 0.463 139 D N 3.484 123.873 120.400 -0.018 0.000 2.620 139 D HA 0.449 5.089 4.640 -0.000 0.000 0.260 139 D C -1.025 175.327 176.300 0.087 0.000 1.367 139 D CA 0.146 54.162 54.000 0.026 0.000 0.805 139 D CB 0.568 41.368 40.800 0.001 0.000 1.096 139 D HN 0.631 nan 8.370 nan 0.000 0.488 140 A N 0.558 123.454 122.820 0.126 0.000 2.978 140 A HA 0.253 4.573 4.320 -0.000 0.000 0.341 140 A C 0.532 178.229 177.584 0.188 0.000 1.105 140 A CA -0.593 51.539 52.037 0.158 0.000 0.819 140 A CB -0.653 18.445 19.000 0.162 0.000 1.080 140 A HN 0.213 nan 8.150 nan 0.000 0.476 141 F N 2.014 122.008 119.950 0.073 0.000 2.154 141 F HA -0.118 4.409 4.527 0.000 0.000 0.301 141 F C 1.944 177.799 175.800 0.091 0.000 1.087 141 F CA 2.438 60.483 58.000 0.074 0.000 1.274 141 F CB -0.078 38.954 39.000 0.053 0.000 1.009 141 F HN 0.454 nan 8.300 nan 0.000 0.485 142 G N -1.516 107.313 108.800 0.049 0.000 2.586 142 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.215 142 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.215 142 G C 1.237 176.144 174.900 0.012 0.000 1.128 142 G CA 1.226 46.304 45.100 -0.037 0.000 0.774 142 G HN 0.506 nan 8.290 nan 0.000 0.543 143 T N -4.404 110.175 114.554 0.042 0.000 3.058 143 T HA 0.530 4.879 4.350 -0.000 0.000 0.278 143 T C 2.101 176.842 174.700 0.069 0.000 0.974 143 T CA 0.941 63.074 62.100 0.054 0.000 0.893 143 T CB 0.582 69.413 68.868 -0.061 0.000 1.138 143 T HN 0.162 nan 8.240 nan 0.000 0.529 144 A N 2.669 125.516 122.820 0.044 0.000 2.070 144 A HA -0.094 4.225 4.320 -0.000 0.000 0.220 144 A C 2.118 179.738 177.584 0.060 0.000 1.159 144 A CA 1.460 53.521 52.037 0.041 0.000 0.656 144 A CB -0.955 18.047 19.000 0.005 0.000 0.800 144 A HN 0.857 nan 8.150 nan 0.000 0.453 145 H N -0.904 118.071 119.070 -0.158 0.000 2.547 145 H HA 0.204 4.759 4.556 -0.000 0.000 0.266 145 H C 0.118 175.389 175.328 -0.094 0.000 0.988 145 H CA 0.220 56.200 56.048 -0.113 0.000 1.147 145 H CB -0.250 29.436 29.762 -0.127 0.000 1.365 145 H HN 0.346 nan 8.280 nan 0.000 0.589 146 R N 0.814 121.093 120.500 -0.369 0.000 2.437 146 R HA 0.590 4.930 4.340 -0.000 0.000 0.310 146 R C -0.778 175.405 176.300 -0.194 0.000 0.955 146 R CA -0.635 55.251 56.100 -0.357 0.000 0.851 146 R CB 2.031 32.060 30.300 -0.452 0.000 1.161 146 R HN 0.195 nan 8.270 nan 0.000 0.446 147 A N 3.902 126.598 122.820 -0.207 0.000 2.437 147 A HA 0.204 4.524 4.320 -0.000 0.000 0.303 147 A C -0.275 177.265 177.584 -0.074 0.000 1.324 147 A CA -0.011 51.896 52.037 -0.216 0.000 0.983 147 A CB 0.209 18.983 19.000 -0.376 0.000 1.142 147 A HN 0.694 nan 8.150 nan 0.000 0.541 148 Q N 0.929 120.740 119.800 0.018 0.000 2.456 148 Q HA 0.579 4.919 4.340 -0.000 0.000 0.283 148 Q C 0.954 177.021 176.000 0.111 0.000 1.084 148 Q CA -0.345 55.486 55.803 0.047 0.000 0.801 148 Q CB 2.101 30.843 28.738 0.006 0.000 1.434 148 Q HN 0.701 nan 8.270 nan 0.000 0.419 149 A N 0.697 123.607 122.820 0.149 0.000 1.940 149 A HA -0.200 4.119 4.320 -0.000 0.000 0.219 149 A C 1.813 179.495 177.584 0.163 0.000 1.176 149 A CA 2.456 54.629 52.037 0.227 0.000 0.631 149 A CB -0.579 18.619 19.000 0.331 0.000 0.814 149 A HN 0.723 nan 8.150 nan 0.000 0.446 150 S N -1.576 114.147 115.700 0.038 0.000 2.548 150 S HA 0.000 4.470 4.470 -0.000 0.000 0.215 150 S C 1.449 176.009 174.600 -0.067 0.000 0.976 150 S CA 1.160 59.197 58.200 -0.273 0.000 0.908 150 S CB -0.441 62.579 63.200 -0.300 0.000 0.781 150 S HN 0.768 nan 8.310 nan 0.000 0.519 151 T N -2.656 111.923 114.554 0.042 0.000 2.990 151 T HA 0.249 4.598 4.350 -0.000 0.000 0.249 151 T C 1.294 176.116 174.700 0.204 0.000 1.039 151 T CA 0.244 62.443 62.100 0.165 0.000 1.036 151 T CB -0.191 68.748 68.868 0.118 0.000 0.994 151 T HN 0.568 nan 8.240 nan 0.000 0.489 152 H N 0.028 119.092 119.070 -0.010 0.000 1.920 152 H HA 0.316 4.871 4.556 -0.000 0.000 0.186 152 H C 2.294 177.572 175.328 -0.083 0.000 0.924 152 H CA 0.733 56.773 56.048 -0.012 0.000 1.039 152 H CB 0.124 29.884 29.762 -0.004 0.000 1.126 152 H HN 0.327 nan 8.280 nan 0.000 0.379 153 G N 2.292 111.061 108.800 -0.052 0.000 2.442 153 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 153 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 153 G C 1.707 176.532 174.900 -0.125 0.000 1.141 153 G CA 0.911 45.969 45.100 -0.071 0.000 0.763 153 G HN 0.489 nan 8.290 nan 0.000 0.554 154 I N 0.982 121.424 120.570 -0.214 0.000 2.264 154 I HA -0.101 4.069 4.170 -0.000 0.000 0.248 154 I C 2.607 178.431 176.117 -0.489 0.000 1.111 154 I CA 1.516 62.585 61.300 -0.385 0.000 1.382 154 I CB -0.243 37.240 38.000 -0.862 0.000 1.060 154 I HN 0.189 nan 8.210 nan 0.000 0.418 155 G N 0.216 108.693 108.800 -0.538 0.000 2.598 155 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 155 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 155 G C 1.645 176.388 174.900 -0.263 0.000 1.131 155 G CA 0.234 45.206 45.100 -0.214 0.000 0.785 155 G HN 0.367 nan 8.290 nan 0.000 0.539 156 K N -0.700 119.397 120.400 -0.506 0.000 2.155 156 K HA 0.077 4.397 4.320 -0.000 0.000 0.203 156 K C 1.277 177.430 176.600 -0.745 0.000 1.052 156 K CA 0.784 56.607 56.287 -0.773 0.000 0.948 156 K CB -0.049 31.668 32.500 -1.305 0.000 0.728 156 K HN 0.442 nan 8.250 nan 0.000 0.448 157 F N -0.183 119.709 119.950 -0.097 0.000 2.746 157 F HA 0.322 4.849 4.527 -0.000 0.000 0.313 157 F C 0.672 176.443 175.800 -0.049 0.000 1.095 157 F CA -0.825 57.135 58.000 -0.067 0.000 1.224 157 F CB 0.092 39.048 39.000 -0.072 0.000 1.060 157 F HN -0.224 nan 8.300 nan 0.000 0.584 158 A N 0.727 123.585 122.820 0.064 0.000 2.440 158 A HA 0.168 4.487 4.320 -0.000 0.000 0.251 158 A C 1.033 178.662 177.584 0.075 0.000 1.089 158 A CA -0.273 51.806 52.037 0.071 0.000 0.779 158 A CB 0.091 19.143 19.000 0.086 0.000 1.022 158 A HN 0.194 nan 8.150 nan 0.000 0.492 159 D N 0.644 121.092 120.400 0.080 0.000 2.116 159 D HA -0.089 4.551 4.640 -0.000 0.000 0.193 159 D C 0.399 176.736 176.300 0.060 0.000 0.998 159 D CA 1.795 55.834 54.000 0.065 0.000 0.836 159 D CB -0.158 40.680 40.800 0.063 0.000 0.951 159 D HN 0.245 nan 8.370 nan 0.000 0.449 160 V N -0.027 119.934 119.914 0.078 0.000 2.531 160 V HA 0.656 4.776 4.120 -0.000 0.000 0.301 160 V C -0.457 175.704 176.094 0.112 0.000 1.034 160 V CA -1.010 61.334 62.300 0.072 0.000 0.865 160 V CB 1.849 33.705 31.823 0.056 0.000 0.995 160 V HN 0.137 nan 8.190 nan 0.000 0.424 161 A N 4.167 127.049 122.820 0.104 0.000 2.318 161 A HA 0.884 5.203 4.320 -0.000 0.000 0.317 161 A C -0.236 177.368 177.584 0.033 0.000 1.159 161 A CA -0.352 51.777 52.037 0.153 0.000 0.799 161 A CB 0.988 20.120 19.000 0.220 0.000 1.194 161 A HN 1.424 nan 8.150 nan 0.000 0.479 162 C N 0.256 119.511 119.300 -0.076 0.000 3.285 162 C HA 0.962 5.422 4.460 -0.000 0.000 0.320 162 C C 0.131 175.025 174.990 -0.159 0.000 1.411 162 C CA -0.235 58.730 59.018 -0.087 0.000 1.429 162 C CB 1.081 28.786 27.740 -0.059 0.000 1.812 162 C HN 1.668 nan 8.230 nan 0.000 0.454 163 A N 0.882 123.647 122.820 -0.093 0.000 2.292 163 A HA 0.791 5.110 4.320 -0.000 0.000 0.319 163 A C 0.532 178.071 177.584 -0.074 0.000 1.206 163 A CA 0.474 52.461 52.037 -0.083 0.000 0.835 163 A CB 0.179 19.159 19.000 -0.033 0.000 1.164 163 A HN 2.057 nan 8.150 nan 0.000 0.505 164 G N 1.665 110.419 108.800 -0.076 0.000 2.651 164 G HA2 0.430 4.390 3.960 -0.000 0.000 0.260 164 G HA3 0.430 4.390 3.960 -0.000 0.000 0.260 164 G C -1.596 173.290 174.900 -0.024 0.000 1.216 164 G CA -1.036 44.035 45.100 -0.048 0.000 0.913 164 G HN 0.435 nan 8.290 nan 0.000 0.535 165 P HA -0.100 nan 4.420 nan 0.000 0.216 165 P C 2.124 179.430 177.300 0.009 0.000 1.153 165 P CA 0.861 63.959 63.100 -0.003 0.000 0.858 165 P CB 0.124 31.826 31.700 0.003 0.000 0.789 166 L N -1.693 119.542 121.223 0.020 0.000 2.027 166 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 166 L C 2.403 179.295 176.870 0.037 0.000 1.074 166 L CA 1.092 55.958 54.840 0.044 0.000 0.745 166 L CB -1.026 41.063 42.059 0.051 0.000 0.898 166 L HN 0.003 nan 8.230 nan 0.000 0.433 167 L N 0.200 121.443 121.223 0.033 0.000 2.046 167 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 167 L C 2.603 179.441 176.870 -0.053 0.000 1.077 167 L CA 2.010 56.868 54.840 0.030 0.000 0.747 167 L CB -0.694 41.405 42.059 0.067 0.000 0.896 167 L HN 0.144 nan 8.230 nan 0.000 0.432 168 A N -0.536 122.257 122.820 -0.044 0.000 1.902 168 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 168 A C 2.439 179.956 177.584 -0.113 0.000 1.181 168 A CA 1.724 53.720 52.037 -0.068 0.000 0.623 168 A CB -1.143 17.831 19.000 -0.044 0.000 0.818 168 A HN 0.563 nan 8.150 nan 0.000 0.443 169 A N -0.414 122.355 122.820 -0.086 0.000 1.930 169 A HA -0.113 4.206 4.320 -0.000 0.000 0.217 169 A C 1.943 179.318 177.584 -0.350 0.000 1.175 169 A CA 2.033 54.002 52.037 -0.114 0.000 0.627 169 A CB -0.428 18.605 19.000 0.055 0.000 0.815 169 A HN 0.570 nan 8.150 nan 0.000 0.443 170 E N -0.338 119.676 120.200 -0.309 0.000 2.051 170 E HA -0.154 4.195 4.350 -0.000 0.000 0.192 170 E C 1.696 177.903 176.600 -0.654 0.000 0.991 170 E CA 1.111 57.180 56.400 -0.552 0.000 0.799 170 E CB -0.273 29.060 29.700 -0.611 0.000 0.748 170 E HN 0.341 nan 8.360 nan 0.000 0.449 171 L N 1.269 122.201 121.223 -0.486 0.000 2.083 171 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 171 L C 1.755 178.448 176.870 -0.294 0.000 1.083 171 L CA 1.700 56.298 54.840 -0.403 0.000 0.752 171 L CB -0.840 41.093 42.059 -0.209 0.000 0.899 171 L HN 0.196 nan 8.230 nan 0.000 0.433 172 D N -0.544 119.696 120.400 -0.266 0.000 2.117 172 D HA -0.122 4.517 4.640 -0.000 0.000 0.198 172 D C 2.215 178.370 176.300 -0.242 0.000 0.982 172 D CA 1.465 55.337 54.000 -0.213 0.000 0.828 172 D CB -0.010 40.681 40.800 -0.181 0.000 0.967 172 D HN 0.300 nan 8.370 nan 0.000 0.464 173 A N 0.799 123.400 122.820 -0.364 0.000 1.877 173 A HA -0.111 4.208 4.320 -0.000 0.000 0.216 173 A C 2.422 179.975 177.584 -0.053 0.000 1.186 173 A CA 0.912 52.807 52.037 -0.235 0.000 0.620 173 A CB -0.842 17.677 19.000 -0.801 0.000 0.822 173 A HN 0.181 nan 8.150 nan 0.000 0.443 174 L N -0.604 120.501 121.223 -0.197 0.000 2.083 174 L HA -0.126 4.213 4.340 -0.000 0.000 0.209 174 L C 2.820 179.726 176.870 0.060 0.000 1.083 174 L CA 1.099 55.888 54.840 -0.085 0.000 0.752 174 L CB -0.715 41.057 42.059 -0.477 0.000 0.899 174 L HN 0.496 nan 8.230 nan 0.000 0.433 175 G N -0.323 108.471 108.800 -0.009 0.000 2.421 175 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 175 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 175 G C 1.657 176.551 174.900 -0.009 0.000 1.171 175 G CA 0.717 45.837 45.100 0.032 0.000 0.775 175 G HN 0.264 nan 8.290 nan 0.000 0.543 176 K N 0.463 120.808 120.400 -0.091 0.000 2.152 176 K HA 0.021 4.341 4.320 -0.000 0.000 0.206 176 K C 2.577 179.138 176.600 -0.065 0.000 1.048 176 K CA 1.277 57.447 56.287 -0.195 0.000 0.933 176 K CB -0.196 31.978 32.500 -0.543 0.000 0.721 176 K HN 0.266 nan 8.250 nan 0.000 0.447 177 A N -0.024 122.863 122.820 0.112 0.000 2.030 177 A HA 0.114 4.434 4.320 -0.000 0.000 0.215 177 A C 1.710 179.375 177.584 0.134 0.000 1.164 177 A CA 0.501 52.668 52.037 0.217 0.000 0.697 177 A CB 0.105 19.308 19.000 0.339 0.000 0.827 177 A HN 0.264 nan 8.150 nan 0.000 0.457 178 L N -1.475 119.815 121.223 0.111 0.000 2.672 178 L HA 0.214 4.553 4.340 -0.000 0.000 0.236 178 L C -0.022 176.879 176.870 0.052 0.000 1.092 178 L CA 0.213 55.106 54.840 0.088 0.000 0.887 178 L CB 0.304 42.435 42.059 0.120 0.000 1.168 178 L HN 0.059 nan 8.230 nan 0.000 0.502 179 K N 1.546 121.972 120.400 0.043 0.000 2.404 179 K HA 0.306 4.625 4.320 -0.000 0.000 0.257 179 K C -0.704 175.898 176.600 0.004 0.000 1.026 179 K CA -0.371 55.928 56.287 0.020 0.000 0.951 179 K CB 1.221 33.734 32.500 0.022 0.000 1.203 179 K HN 0.009 nan 8.250 nan 0.000 0.446 180 E N 1.565 121.768 120.200 0.004 0.000 2.240 180 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 180 E C -2.218 174.381 176.600 -0.002 0.000 1.385 180 E CA -0.222 56.178 56.400 -0.001 0.000 0.686 180 E CB -1.195 28.500 29.700 -0.008 0.000 1.125 180 E HN 0.482 nan 8.360 nan 0.000 0.359 181 P HA -0.036 nan 4.420 nan 0.000 0.270 181 P C 0.763 178.071 177.300 0.014 0.000 1.223 181 P CA 0.457 63.570 63.100 0.021 0.000 0.785 181 P CB 0.795 32.526 31.700 0.052 0.000 0.923 182 A N 1.883 124.712 122.820 0.016 0.000 2.084 182 A HA -0.163 4.157 4.320 -0.000 0.000 0.221 182 A C 0.447 178.042 177.584 0.018 0.000 1.161 182 A CA 0.914 52.958 52.037 0.011 0.000 0.653 182 A CB -0.628 18.384 19.000 0.019 0.000 0.802 182 A HN 0.572 nan 8.150 nan 0.000 0.457 183 R N -2.785 117.731 120.500 0.026 0.000 1.385 183 R HA -0.097 4.243 4.340 -0.000 0.000 0.414 183 R C -2.915 173.399 176.300 0.023 0.000 1.295 183 R CA 0.740 56.854 56.100 0.023 0.000 0.975 183 R CB -2.300 28.009 30.300 0.014 0.000 3.046 183 R HN 0.358 nan 8.270 nan 0.000 0.499 184 P HA -0.126 nan 4.420 nan 0.000 0.014 184 P C -0.486 176.833 177.300 0.032 0.000 0.691 184 P CA 0.328 63.441 63.100 0.022 0.000 1.035 184 P CB -0.202 31.507 31.700 0.015 0.000 1.909 185 M N 2.906 122.529 119.600 0.038 0.000 2.220 185 M HA 0.238 4.717 4.480 -0.000 0.000 0.343 185 M C -0.644 175.682 176.300 0.042 0.000 1.470 185 M CA 0.111 55.442 55.300 0.052 0.000 1.161 185 M CB 0.456 33.090 32.600 0.057 0.000 1.737 185 M HN -0.097 nan 8.290 nan 0.000 0.464 186 V N 5.297 125.236 119.914 0.042 0.000 2.417 186 V HA 0.707 4.827 4.120 -0.000 0.000 0.291 186 V C 0.060 176.183 176.094 0.048 0.000 1.024 186 V CA -0.860 61.458 62.300 0.029 0.000 0.861 186 V CB 1.344 33.169 31.823 0.004 0.000 0.985 186 V HN 0.934 nan 8.190 nan 0.000 0.436 187 A N 5.970 128.819 122.820 0.048 0.000 2.337 187 A HA 0.912 5.232 4.320 -0.000 0.000 0.329 187 A C -0.779 176.846 177.584 0.068 0.000 1.146 187 A CA -0.579 51.504 52.037 0.077 0.000 0.800 187 A CB 0.863 19.909 19.000 0.076 0.000 1.220 187 A HN 0.770 nan 8.150 nan 0.000 0.472 188 I N 2.180 122.826 120.570 0.126 0.000 2.389 188 I HA 0.388 4.557 4.170 -0.000 0.000 0.288 188 I C -0.931 175.300 176.117 0.190 0.000 0.999 188 I CA -0.725 60.659 61.300 0.141 0.000 1.129 188 I CB 2.028 40.131 38.000 0.172 0.000 1.288 188 I HN 0.272 nan 8.210 nan 0.000 0.444 189 V N 5.597 125.579 119.914 0.113 0.000 2.325 189 V HA 0.559 4.679 4.120 -0.000 0.000 0.280 189 V C 0.475 176.628 176.094 0.099 0.000 1.016 189 V CA -0.472 61.894 62.300 0.110 0.000 0.818 189 V CB 1.175 33.039 31.823 0.069 0.000 1.019 189 V HN 0.878 nan 8.190 nan 0.000 0.434 190 G N 2.245 111.134 108.800 0.147 0.000 2.400 190 G HA2 0.851 4.811 3.960 -0.000 0.000 0.333 190 G HA3 0.851 4.811 3.960 -0.000 0.000 0.333 190 G C -0.150 174.824 174.900 0.124 0.000 1.143 190 G CA -0.208 44.979 45.100 0.144 0.000 0.914 190 G HN 1.142 nan 8.290 nan 0.000 0.480 191 G N -0.811 108.056 108.800 0.111 0.000 2.328 191 G HA2 0.492 4.452 3.960 -0.000 0.000 0.295 191 G HA3 0.492 4.452 3.960 -0.000 0.000 0.295 191 G C 0.612 175.561 174.900 0.082 0.000 1.413 191 G CA 0.662 45.816 45.100 0.091 0.000 0.817 191 G HN 1.315 nan 8.290 nan 0.000 0.546 192 S N -1.237 114.498 115.700 0.058 0.000 2.478 192 S HA 0.277 4.746 4.470 -0.000 0.000 0.222 192 S C 0.694 175.322 174.600 0.047 0.000 1.008 192 S CA 0.741 58.966 58.200 0.042 0.000 0.928 192 S CB 0.047 63.252 63.200 0.008 0.000 0.781 192 S HN 0.498 nan 8.310 nan 0.000 0.518 193 K N 0.711 121.143 120.400 0.053 0.000 2.482 193 K HA 0.406 4.726 4.320 -0.000 0.000 0.251 193 K C 0.407 177.052 176.600 0.076 0.000 0.936 193 K CA -0.188 56.129 56.287 0.051 0.000 0.791 193 K CB 2.397 34.909 32.500 0.020 0.000 1.213 193 K HN -0.030 nan 8.250 nan 0.000 0.428 194 V N 0.265 120.237 119.914 0.098 0.000 2.719 194 V HA -0.189 3.930 4.120 -0.000 0.000 0.252 194 V C 1.805 177.947 176.094 0.080 0.000 1.065 194 V CA 2.185 64.560 62.300 0.126 0.000 1.086 194 V CB -0.182 31.757 31.823 0.193 0.000 0.700 194 V HN 0.850 nan 8.190 nan 0.000 0.467 195 S N 2.245 117.973 115.700 0.045 0.000 2.370 195 S HA -0.266 4.204 4.470 -0.000 0.000 0.226 195 S C 2.099 176.716 174.600 0.028 0.000 1.033 195 S CA 2.188 60.403 58.200 0.025 0.000 1.011 195 S CB -1.712 61.490 63.200 0.003 0.000 0.852 195 S HN 0.940 nan 8.310 nan 0.000 0.457 196 T N -1.005 113.567 114.554 0.031 0.000 3.035 196 T HA 0.179 4.529 4.350 -0.000 0.000 0.268 196 T C 1.211 175.936 174.700 0.042 0.000 1.109 196 T CA 0.615 62.733 62.100 0.031 0.000 1.119 196 T CB -0.290 68.594 68.868 0.027 0.000 0.900 196 T HN 0.481 nan 8.240 nan 0.000 0.503 197 K N -0.120 120.314 120.400 0.056 0.000 2.564 197 K HA 0.365 4.684 4.320 -0.000 0.000 0.205 197 K C 0.909 177.552 176.600 0.072 0.000 1.053 197 K CA -0.255 56.071 56.287 0.064 0.000 1.072 197 K CB 0.537 33.083 32.500 0.077 0.000 0.822 197 K HN 0.089 nan 8.250 nan 0.000 0.497 198 L N 1.069 122.331 121.223 0.064 0.000 2.046 198 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 198 L C 1.802 178.704 176.870 0.054 0.000 1.077 198 L CA 2.109 56.989 54.840 0.068 0.000 0.747 198 L CB -0.427 41.662 42.059 0.049 0.000 0.896 198 L HN 0.086 nan 8.230 nan 0.000 0.432 199 T N -1.299 113.276 114.554 0.036 0.000 2.821 199 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 199 T C 1.991 176.704 174.700 0.021 0.000 1.046 199 T CA 1.427 63.540 62.100 0.022 0.000 1.139 199 T CB -0.375 68.499 68.868 0.010 0.000 0.871 199 T HN 0.193 nan 8.240 nan 0.000 0.454 200 V N 1.592 121.524 119.914 0.030 0.000 2.295 200 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 200 V C 2.489 178.607 176.094 0.041 0.000 1.049 200 V CA 1.529 63.847 62.300 0.030 0.000 1.024 200 V CB -0.721 31.129 31.823 0.046 0.000 0.648 200 V HN 0.430 nan 8.190 nan 0.000 0.447 201 L N -0.280 120.980 121.223 0.062 0.000 2.017 201 L HA -0.197 4.142 4.340 -0.000 0.000 0.208 201 L C 2.436 179.347 176.870 0.068 0.000 1.073 201 L CA 1.689 56.576 54.840 0.078 0.000 0.745 201 L CB -0.782 41.355 42.059 0.132 0.000 0.894 201 L HN 0.338 nan 8.230 nan 0.000 0.432 202 D N -0.770 119.665 120.400 0.058 0.000 2.097 202 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 202 D C 2.361 178.675 176.300 0.024 0.000 0.989 202 D CA 1.687 55.712 54.000 0.042 0.000 0.827 202 D CB -0.162 40.657 40.800 0.030 0.000 0.966 202 D HN 0.149 nan 8.370 nan 0.000 0.456 203 S N -0.153 115.554 115.700 0.011 0.000 2.359 203 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 203 S C 2.140 176.741 174.600 0.002 0.000 1.035 203 S CA 0.760 58.955 58.200 -0.008 0.000 1.018 203 S CB -0.295 62.887 63.200 -0.029 0.000 0.876 203 S HN 0.176 nan 8.310 nan 0.000 0.448 204 L N 1.717 122.949 121.223 0.015 0.000 2.217 204 L HA -0.029 4.311 4.340 -0.000 0.000 0.211 204 L C 2.753 179.640 176.870 0.028 0.000 1.107 204 L CA 1.235 56.090 54.840 0.025 0.000 0.783 204 L CB -0.592 41.489 42.059 0.036 0.000 0.919 204 L HN 0.504 nan 8.230 nan 0.000 0.442 205 S N -0.763 114.957 115.700 0.033 0.000 2.474 205 S HA -0.112 4.357 4.470 -0.000 0.000 0.235 205 S C 1.803 176.420 174.600 0.028 0.000 0.997 205 S CA 0.602 58.824 58.200 0.037 0.000 0.949 205 S CB -0.146 63.085 63.200 0.053 0.000 0.766 205 S HN 0.315 nan 8.310 nan 0.000 0.517 206 K N 0.414 120.826 120.400 0.020 0.000 2.361 206 K HA 0.283 4.603 4.320 -0.000 0.000 0.196 206 K C 1.411 178.019 176.600 0.012 0.000 1.039 206 K CA 0.272 56.567 56.287 0.013 0.000 1.001 206 K CB -0.057 32.445 32.500 0.004 0.000 0.795 206 K HN 0.431 nan 8.250 nan 0.000 0.495 207 I N 0.408 120.988 120.570 0.016 0.000 3.194 207 I HA 0.104 4.274 4.170 -0.000 0.000 0.271 207 I C 1.079 177.211 176.117 0.026 0.000 1.150 207 I CA 0.026 61.337 61.300 0.019 0.000 1.440 207 I CB -1.196 36.816 38.000 0.021 0.000 1.276 207 I HN -0.209 nan 8.210 nan 0.000 0.457 208 A N 1.671 124.508 122.820 0.029 0.000 2.445 208 A HA 0.062 4.382 4.320 -0.000 0.000 0.242 208 A C 1.017 178.616 177.584 0.025 0.000 1.075 208 A CA -0.027 52.029 52.037 0.031 0.000 0.777 208 A CB 0.118 19.137 19.000 0.033 0.000 1.013 208 A HN 0.308 nan 8.150 nan 0.000 0.493 209 D N 0.298 120.712 120.400 0.023 0.000 2.183 209 D HA -0.033 4.606 4.640 -0.000 0.000 0.203 209 D C 0.220 176.529 176.300 0.015 0.000 0.969 209 D CA 1.403 55.413 54.000 0.018 0.000 0.842 209 D CB 0.336 41.146 40.800 0.016 0.000 0.957 209 D HN 0.667 nan 8.370 nan 0.000 0.484 210 Q N 0.057 119.865 119.800 0.013 0.000 2.315 210 Q HA 0.423 4.762 4.340 -0.000 0.000 0.273 210 Q C -1.542 174.460 176.000 0.002 0.000 1.053 210 Q CA -0.706 55.101 55.803 0.005 0.000 0.817 210 Q CB 2.994 31.731 28.738 -0.002 0.000 1.326 210 Q HN -0.060 nan 8.270 nan 0.000 0.423 211 L N 3.878 125.096 121.223 -0.008 0.000 2.318 211 L HA 0.517 4.856 4.340 -0.000 0.000 0.277 211 L C -1.396 175.434 176.870 -0.065 0.000 1.008 211 L CA -0.140 54.687 54.840 -0.022 0.000 0.846 211 L CB 0.929 42.979 42.059 -0.015 0.000 1.220 211 L HN 0.588 nan 8.230 nan 0.000 0.423 212 I N 5.890 126.427 120.570 -0.054 0.000 2.371 212 I HA 0.330 4.500 4.170 -0.000 0.000 0.290 212 I C 0.019 176.075 176.117 -0.102 0.000 1.028 212 I CA -0.733 60.521 61.300 -0.076 0.000 1.345 212 I CB 1.420 39.390 38.000 -0.050 0.000 1.407 212 I HN 0.471 nan 8.210 nan 0.000 0.501 213 V N 3.207 123.012 119.914 -0.183 0.000 2.612 213 V HA 0.989 5.108 4.120 -0.000 0.000 0.301 213 V C 0.209 176.257 176.094 -0.076 0.000 1.046 213 V CA -0.330 61.842 62.300 -0.214 0.000 0.946 213 V CB 1.219 32.706 31.823 -0.560 0.000 1.003 213 V HN 0.837 nan 8.190 nan 0.000 0.459 214 G N 0.708 109.507 108.800 -0.002 0.000 2.660 214 G HA2 0.763 4.723 3.960 -0.000 0.000 0.294 214 G HA3 0.763 4.723 3.960 -0.000 0.000 0.294 214 G C 0.085 175.041 174.900 0.095 0.000 1.369 214 G CA 0.163 45.301 45.100 0.063 0.000 0.912 214 G HN 1.904 nan 8.290 nan 0.000 0.479 215 G N 0.071 108.937 108.800 0.110 0.000 2.566 215 G HA2 0.121 4.080 3.960 -0.000 0.000 0.280 215 G HA3 0.121 4.080 3.960 -0.000 0.000 0.280 215 G C 1.519 176.484 174.900 0.108 0.000 1.225 215 G CA 0.939 46.106 45.100 0.112 0.000 0.966 215 G HN 1.994 nan 8.290 nan 0.000 0.560 216 G N -0.367 108.494 108.800 0.102 0.000 2.448 216 G HA2 0.054 4.014 3.960 -0.000 0.000 0.219 216 G HA3 0.054 4.014 3.960 -0.000 0.000 0.219 216 G C 1.881 176.873 174.900 0.153 0.000 1.127 216 G CA 1.527 46.695 45.100 0.113 0.000 0.766 216 G HN 0.777 nan 8.290 nan 0.000 0.552 217 I N 1.253 121.913 120.570 0.151 0.000 2.179 217 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 217 I C 3.284 179.569 176.117 0.279 0.000 1.088 217 I CA 1.036 62.461 61.300 0.210 0.000 1.357 217 I CB -0.245 37.843 38.000 0.147 0.000 1.051 217 I HN 0.245 nan 8.210 nan 0.000 0.409 218 A N 0.961 123.876 122.820 0.157 0.000 1.933 218 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 218 A C 2.032 179.744 177.584 0.214 0.000 1.175 218 A CA 1.933 54.056 52.037 0.143 0.000 0.628 218 A CB -0.689 18.353 19.000 0.070 0.000 0.814 218 A HN 0.412 nan 8.150 nan 0.000 0.444 219 N N -0.042 118.767 118.700 0.181 0.000 2.069 219 N HA -0.118 4.622 4.740 -0.000 0.000 0.191 219 N C 1.710 177.327 175.510 0.179 0.000 1.031 219 N CA 2.044 55.186 53.050 0.154 0.000 0.852 219 N CB -0.964 37.614 38.487 0.152 0.000 1.018 219 N HN 0.490 nan 8.380 nan 0.000 0.423 220 T N 0.446 115.162 114.554 0.270 0.000 2.788 220 T HA -0.037 4.313 4.350 -0.000 0.000 0.268 220 T C 1.631 176.417 174.700 0.144 0.000 1.044 220 T CA 0.750 63.007 62.100 0.261 0.000 1.139 220 T CB -0.331 68.673 68.868 0.227 0.000 0.867 220 T HN 0.128 nan 8.240 nan 0.000 0.454 221 F N 0.769 120.772 119.950 0.089 0.000 2.234 221 F HA 0.134 4.661 4.527 -0.000 0.000 0.299 221 F C 2.051 177.893 175.800 0.071 0.000 1.087 221 F CA 0.471 58.514 58.000 0.071 0.000 1.340 221 F CB -0.483 38.557 39.000 0.066 0.000 1.031 221 F HN 0.135 nan 8.300 nan 0.000 0.500 222 I N -0.523 120.190 120.570 0.240 0.000 2.252 222 I HA -0.281 3.888 4.170 -0.000 0.000 0.245 222 I C 2.597 178.792 176.117 0.130 0.000 1.102 222 I CA 1.166 62.581 61.300 0.192 0.000 1.385 222 I CB -0.714 37.359 38.000 0.122 0.000 1.064 222 I HN 0.068 nan 8.210 nan 0.000 0.414 223 A N 0.685 123.513 122.820 0.014 0.000 1.972 223 A HA -0.138 4.181 4.320 -0.000 0.000 0.219 223 A C 2.492 180.049 177.584 -0.044 0.000 1.169 223 A CA 1.748 53.733 52.037 -0.088 0.000 0.635 223 A CB -0.712 18.128 19.000 -0.266 0.000 0.810 223 A HN 0.437 nan 8.150 nan 0.000 0.446 224 A N -0.950 121.857 122.820 -0.023 0.000 2.015 224 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 224 A C 2.008 179.562 177.584 -0.049 0.000 1.163 224 A CA 1.368 53.371 52.037 -0.057 0.000 0.646 224 A CB -0.412 18.505 19.000 -0.139 0.000 0.806 224 A HN 0.633 nan 8.150 nan 0.000 0.448 225 Q N -1.769 118.020 119.800 -0.018 0.000 2.436 225 Q HA 0.147 4.487 4.340 -0.000 0.000 0.209 225 Q C 1.163 176.993 176.000 -0.283 0.000 0.965 225 Q CA 0.551 56.308 55.803 -0.076 0.000 0.910 225 Q CB 0.027 28.803 28.738 0.063 0.000 0.980 225 Q HN 0.889 nan 8.270 nan 0.000 0.491 226 G N 0.369 109.022 108.800 -0.245 0.000 2.179 226 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.220 226 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.220 226 G C -0.218 174.512 174.900 -0.283 0.000 0.990 226 G CA -0.465 44.481 45.100 -0.256 0.000 0.646 226 G HN 0.352 nan 8.290 nan 0.000 0.517 227 H N 1.132 120.182 119.070 -0.032 0.000 2.580 227 H HA 0.348 4.903 4.556 -0.000 0.000 0.322 227 H C -0.395 174.887 175.328 -0.077 0.000 1.082 227 H CA -0.348 55.677 56.048 -0.039 0.000 1.383 227 H CB 1.310 31.057 29.762 -0.025 0.000 1.450 227 H HN 0.294 nan 8.280 nan 0.000 0.505 228 D N 2.596 123.024 120.400 0.047 0.000 2.351 228 D HA 0.032 4.672 4.640 -0.000 0.000 0.251 228 D C 1.001 177.274 176.300 -0.045 0.000 1.137 228 D CA -0.157 53.825 54.000 -0.029 0.000 0.879 228 D CB 1.292 42.086 40.800 -0.011 0.000 1.181 228 D HN 0.426 nan 8.370 nan 0.000 0.448 229 V N 1.440 121.273 119.914 -0.135 0.000 3.578 229 V HA 0.356 4.476 4.120 -0.000 0.000 0.290 229 V C 1.282 177.337 176.094 -0.064 0.000 1.376 229 V CA 0.627 62.853 62.300 -0.124 0.000 1.083 229 V CB -0.305 31.374 31.823 -0.240 0.000 0.911 229 V HN 0.822 nan 8.190 nan 0.000 0.433 230 G N 1.989 110.764 108.800 -0.042 0.000 2.596 230 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.304 230 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.304 230 G C 0.633 175.556 174.900 0.038 0.000 1.189 230 G CA 0.779 45.883 45.100 0.006 0.000 0.986 230 G HN 0.499 nan 8.290 nan 0.000 0.548 231 K N 1.220 121.650 120.400 0.049 0.000 2.469 231 K HA 0.348 4.667 4.320 -0.000 0.000 0.201 231 K C 0.818 177.465 176.600 0.079 0.000 1.028 231 K CA 0.295 56.623 56.287 0.068 0.000 1.170 231 K CB 0.144 32.675 32.500 0.052 0.000 0.874 231 K HN 0.344 nan 8.250 nan 0.000 0.507 232 S N 1.442 117.190 115.700 0.080 0.000 2.573 232 S HA -0.007 4.463 4.470 -0.000 0.000 0.277 232 S C -0.051 174.647 174.600 0.163 0.000 1.346 232 S CA -0.530 57.724 58.200 0.090 0.000 1.034 232 S CB 0.521 63.755 63.200 0.057 0.000 0.879 232 S HN 0.218 nan 8.310 nan 0.000 0.528 233 L N 4.961 126.250 121.223 0.109 0.000 2.456 233 L HA 0.372 4.711 4.340 -0.000 0.000 0.277 233 L C -0.597 176.396 176.870 0.205 0.000 1.124 233 L CA 0.452 55.351 54.840 0.098 0.000 0.880 233 L CB -1.093 40.972 42.059 0.009 0.000 1.192 233 L HN 0.636 nan 8.230 nan 0.000 0.463 234 Y N 2.019 122.322 120.300 0.006 0.000 2.670 234 Y HA 0.684 5.234 4.550 -0.000 0.000 0.334 234 Y C -1.332 174.572 175.900 0.007 0.000 1.185 234 Y CA -1.217 56.895 58.100 0.021 0.000 1.053 234 Y CB 1.172 39.651 38.460 0.031 0.000 1.298 234 Y HN 0.515 nan 8.280 nan 0.000 0.459 235 E N 1.267 121.310 120.200 -0.261 0.000 2.182 235 E HA 0.510 4.860 4.350 -0.000 0.000 0.258 235 E C -0.088 176.316 176.600 -0.327 0.000 0.879 235 E CA -0.450 55.737 56.400 -0.356 0.000 0.754 235 E CB 1.933 31.556 29.700 -0.130 0.000 1.162 235 E HN 0.841 nan 8.360 nan 0.000 0.419 236 A N 3.312 125.838 122.820 -0.491 0.000 1.972 236 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 236 A C 1.237 178.786 177.584 -0.058 0.000 1.169 236 A CA 1.222 53.167 52.037 -0.153 0.000 0.635 236 A CB -0.037 18.884 19.000 -0.130 0.000 0.810 236 A HN 0.492 nan 8.150 nan 0.000 0.446 237 D N -0.971 119.374 120.400 -0.091 0.000 2.352 237 D HA 0.156 4.796 4.640 -0.000 0.000 0.232 237 D C 0.622 176.894 176.300 -0.046 0.000 1.055 237 D CA 0.555 54.521 54.000 -0.057 0.000 0.891 237 D CB 0.302 41.067 40.800 -0.059 0.000 0.897 237 D HN 0.401 nan 8.370 nan 0.000 0.529 238 L N -0.770 120.425 121.223 -0.046 0.000 3.259 238 L HA 0.095 4.434 4.340 -0.000 0.000 0.292 238 L C 1.784 178.608 176.870 -0.076 0.000 1.219 238 L CA 0.087 54.898 54.840 -0.048 0.000 1.035 238 L CB 1.152 43.191 42.059 -0.033 0.000 1.424 238 L HN -0.206 nan 8.230 nan 0.000 0.603 239 V N 1.138 121.026 119.914 -0.043 0.000 2.332 239 V HA -0.302 3.817 4.120 -0.000 0.000 0.248 239 V C 2.374 178.399 176.094 -0.114 0.000 1.055 239 V CA 2.367 64.629 62.300 -0.063 0.000 1.038 239 V CB -0.468 31.365 31.823 0.016 0.000 0.651 239 V HN 0.688 nan 8.190 nan 0.000 0.450 240 D N -0.240 120.114 120.400 -0.076 0.000 2.144 240 D HA -0.213 4.427 4.640 -0.000 0.000 0.199 240 D C 1.814 178.060 176.300 -0.089 0.000 0.984 240 D CA 1.301 55.258 54.000 -0.070 0.000 0.834 240 D CB -0.406 40.368 40.800 -0.043 0.000 0.955 240 D HN 0.424 nan 8.370 nan 0.000 0.465 241 E N 1.017 121.157 120.200 -0.099 0.000 2.072 241 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 241 E C 2.295 178.786 176.600 -0.183 0.000 0.985 241 E CA 1.151 57.495 56.400 -0.093 0.000 0.801 241 E CB -0.502 29.165 29.700 -0.056 0.000 0.750 241 E HN 0.461 nan 8.360 nan 0.000 0.452 242 A N 1.955 124.542 122.820 -0.389 0.000 1.902 242 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 242 A C 2.181 179.449 177.584 -0.527 0.000 1.181 242 A CA 1.897 53.361 52.037 -0.955 0.000 0.623 242 A CB -0.442 17.768 19.000 -1.316 0.000 0.818 242 A HN 0.182 nan 8.150 nan 0.000 0.443 243 K N -0.262 119.973 120.400 -0.276 0.000 2.057 243 K HA -0.197 4.122 4.320 -0.000 0.000 0.207 243 K C 2.329 178.895 176.600 -0.057 0.000 1.049 243 K CA 1.527 57.740 56.287 -0.123 0.000 0.931 243 K CB -0.250 32.198 32.500 -0.087 0.000 0.714 243 K HN 0.448 nan 8.250 nan 0.000 0.440 244 R N 0.708 121.174 120.500 -0.056 0.000 2.083 244 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 244 R C 2.319 178.633 176.300 0.024 0.000 1.137 244 R CA 1.666 57.758 56.100 -0.014 0.000 0.951 244 R CB -0.304 29.987 30.300 -0.015 0.000 0.851 244 R HN 0.236 nan 8.270 nan 0.000 0.434 245 L N 0.498 121.750 121.223 0.049 0.000 2.109 245 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 245 L C 2.527 179.502 176.870 0.176 0.000 1.086 245 L CA 0.820 55.743 54.840 0.139 0.000 0.760 245 L CB -0.337 41.877 42.059 0.258 0.000 0.910 245 L HN 0.248 nan 8.230 nan 0.000 0.437 246 L N -0.212 121.127 121.223 0.194 0.000 2.042 246 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 246 L C 2.644 179.575 176.870 0.103 0.000 1.076 246 L CA 2.084 57.037 54.840 0.188 0.000 0.749 246 L CB -0.586 41.572 42.059 0.165 0.000 0.893 246 L HN 0.484 nan 8.230 nan 0.000 0.432 247 T N -5.878 108.714 114.554 0.065 0.000 3.113 247 T HA -0.034 4.316 4.350 -0.000 0.000 0.256 247 T C 1.310 176.034 174.700 0.039 0.000 1.131 247 T CA 0.879 63.004 62.100 0.042 0.000 1.074 247 T CB -0.233 68.649 68.868 0.023 0.000 0.944 247 T HN 0.447 nan 8.240 nan 0.000 0.516 248 T N -2.205 112.378 114.554 0.048 0.000 3.004 248 T HA 0.432 4.782 4.350 -0.000 0.000 0.266 248 T C 0.433 175.159 174.700 0.044 0.000 0.986 248 T CA -0.450 61.674 62.100 0.040 0.000 0.902 248 T CB -0.357 68.532 68.868 0.035 0.000 1.118 248 T HN 0.434 nan 8.240 nan 0.000 0.522 249 C N 1.536 120.871 119.300 0.058 0.000 3.090 249 C HA 0.594 5.053 4.460 -0.000 0.000 0.305 249 C C -0.276 174.746 174.990 0.053 0.000 1.292 249 C CA -1.371 57.680 59.018 0.054 0.000 1.482 249 C CB 1.501 29.279 27.740 0.064 0.000 1.897 249 C HN 0.435 nan 8.230 nan 0.000 0.469 250 N N 2.023 120.745 118.700 0.037 0.000 2.466 250 N HA 0.314 5.053 4.740 -0.000 0.000 0.263 250 N C -1.138 174.385 175.510 0.021 0.000 1.178 250 N CA 0.339 53.406 53.050 0.029 0.000 0.983 250 N CB -0.019 38.480 38.487 0.019 0.000 1.331 250 N HN 0.601 nan 8.380 nan 0.000 0.500 251 I N 4.804 125.392 120.570 0.030 0.000 2.437 251 I HA 0.275 4.445 4.170 -0.000 0.000 0.279 251 I C -2.136 173.978 176.117 -0.005 0.000 1.028 251 I CA -2.038 59.259 61.300 -0.005 0.000 1.142 251 I CB 1.821 39.822 38.000 0.002 0.000 1.266 251 I HN 0.158 nan 8.210 nan 0.000 0.461 252 P HA 0.079 nan 4.420 nan 0.000 0.264 252 P C -0.743 176.543 177.300 -0.023 0.000 1.193 252 P CA 0.035 63.125 63.100 -0.016 0.000 0.763 252 P CB 0.706 32.390 31.700 -0.028 0.000 0.810 253 V N 6.201 126.125 119.914 0.017 0.000 2.540 253 V HA 0.331 4.450 4.120 -0.000 0.000 0.302 253 V C -2.147 173.963 176.094 0.027 0.000 1.035 253 V CA -2.083 60.240 62.300 0.039 0.000 0.873 253 V CB 1.607 33.499 31.823 0.114 0.000 0.992 253 V HN 0.471 nan 8.190 nan 0.000 0.428 254 P HA 0.026 nan 4.420 nan 0.000 0.260 254 P C 0.805 178.093 177.300 -0.020 0.000 1.172 254 P CA 0.417 63.519 63.100 0.003 0.000 0.760 254 P CB 0.587 32.295 31.700 0.014 0.000 0.773 255 S N 1.412 117.096 115.700 -0.026 0.000 2.439 255 S HA -0.007 4.463 4.470 -0.000 0.000 0.224 255 S C 0.582 175.143 174.600 -0.066 0.000 1.029 255 S CA 0.213 58.383 58.200 -0.050 0.000 0.946 255 S CB -0.277 62.908 63.200 -0.025 0.000 0.797 255 S HN 0.557 nan 8.310 nan 0.000 0.504 256 D N -0.176 120.202 120.400 -0.036 0.000 2.423 256 D HA 0.701 5.341 4.640 -0.000 0.000 0.235 256 D C -0.960 175.338 176.300 -0.003 0.000 1.011 256 D CA -0.941 53.044 54.000 -0.025 0.000 0.963 256 D CB 1.861 42.653 40.800 -0.013 0.000 1.349 256 D HN 0.096 nan 8.370 nan 0.000 0.508 257 V N -0.607 119.316 119.914 0.014 0.000 3.216 257 V HA 0.503 4.622 4.120 -0.000 0.000 0.302 257 V C -1.335 174.808 176.094 0.082 0.000 1.286 257 V CA -0.893 61.434 62.300 0.046 0.000 1.048 257 V CB 2.494 34.336 31.823 0.032 0.000 1.081 257 V HN 0.563 nan 8.190 nan 0.000 0.442 258 R N 1.833 122.418 120.500 0.142 0.000 2.343 258 R HA 0.705 5.045 4.340 -0.000 0.000 0.320 258 R C -0.891 175.586 176.300 0.295 0.000 0.956 258 R CA -0.419 55.817 56.100 0.227 0.000 0.836 258 R CB 1.859 32.337 30.300 0.298 0.000 1.151 258 R HN 0.640 nan 8.270 nan 0.000 0.450 259 V N -0.422 119.649 119.914 0.262 0.000 2.994 259 V HA 0.990 5.110 4.120 -0.000 0.000 0.318 259 V C -0.213 176.059 176.094 0.296 0.000 1.085 259 V CA -0.854 61.569 62.300 0.204 0.000 0.998 259 V CB 1.788 33.679 31.823 0.114 0.000 1.063 259 V HN 0.828 nan 8.190 nan 0.000 0.447 260 A N 1.134 124.062 122.820 0.179 0.000 2.479 260 A HA 0.753 5.073 4.320 -0.000 0.000 0.296 260 A C 0.594 178.247 177.584 0.115 0.000 1.121 260 A CA 0.148 52.309 52.037 0.206 0.000 0.743 260 A CB 1.653 20.751 19.000 0.162 0.000 1.323 260 A HN 1.184 nan 8.150 nan 0.000 0.415 261 T N -0.759 113.857 114.554 0.103 0.000 3.044 261 T HA 0.202 4.552 4.350 -0.000 0.000 0.255 261 T C 0.427 175.169 174.700 0.069 0.000 1.073 261 T CA 1.493 63.636 62.100 0.072 0.000 1.125 261 T CB -0.379 68.522 68.868 0.055 0.000 0.908 261 T HN 0.821 nan 8.240 nan 0.000 0.480 262 E N -0.854 119.391 120.200 0.075 0.000 2.449 262 E HA 0.395 4.745 4.350 -0.000 0.000 0.278 262 E C -1.540 175.132 176.600 0.120 0.000 0.992 262 E CA -1.114 55.340 56.400 0.089 0.000 0.807 262 E CB 0.516 30.248 29.700 0.053 0.000 1.350 262 E HN 0.054 nan 8.360 nan 0.000 0.462 263 F N 2.475 122.427 119.950 0.004 0.000 2.384 263 F HA 0.400 4.927 4.527 -0.000 0.000 0.359 263 F C -0.828 174.967 175.800 -0.008 0.000 1.143 263 F CA 0.076 58.106 58.000 0.049 0.000 1.216 263 F CB 0.260 39.313 39.000 0.088 0.000 1.512 263 F HN 0.613 nan 8.300 nan 0.000 0.573 264 S N 2.029 117.411 115.700 -0.530 0.000 2.596 264 S HA 0.270 4.740 4.470 -0.000 0.000 0.270 264 S C 0.216 173.933 174.600 -1.470 0.000 1.155 264 S CA -0.710 57.048 58.200 -0.736 0.000 0.827 264 S CB 1.384 64.403 63.200 -0.302 0.000 1.130 264 S HN 0.566 nan 8.310 nan 0.000 0.467 265 E N -0.028 119.493 120.200 -1.132 0.000 2.482 265 E HA -0.042 4.307 4.350 -0.000 0.000 0.196 265 E C 1.130 177.509 176.600 -0.367 0.000 1.047 265 E CA 1.204 57.138 56.400 -0.777 0.000 0.869 265 E CB -0.531 29.034 29.700 -0.225 0.000 0.836 265 E HN 0.785 nan 8.360 nan 0.000 0.520 266 T N -1.835 112.532 114.554 -0.311 0.000 3.037 266 T HA 0.351 4.701 4.350 -0.000 0.000 0.252 266 T C 1.076 175.695 174.700 -0.134 0.000 1.073 266 T CA 0.095 62.095 62.100 -0.167 0.000 1.091 266 T CB 0.186 68.985 68.868 -0.115 0.000 0.935 266 T HN 0.254 nan 8.240 nan 0.000 0.488 267 A N 4.375 127.100 122.820 -0.159 0.000 2.520 267 A HA 0.492 4.812 4.320 -0.000 0.000 0.245 267 A C -1.909 175.681 177.584 0.011 0.000 1.072 267 A CA -1.152 50.861 52.037 -0.041 0.000 0.761 267 A CB -0.232 18.765 19.000 -0.005 0.000 1.004 267 A HN 0.403 nan 8.150 nan 0.000 0.499 268 P HA 0.421 nan 4.420 nan 0.000 0.274 268 P C -0.537 176.762 177.300 -0.003 0.000 1.246 268 P CA -0.143 62.936 63.100 -0.035 0.000 0.795 268 P CB 1.146 32.835 31.700 -0.019 0.000 1.006 269 A N 1.248 123.978 122.820 -0.151 0.000 2.330 269 A HA 0.671 4.990 4.320 -0.000 0.000 0.327 269 A C -0.364 177.204 177.584 -0.027 0.000 1.155 269 A CA -0.374 51.570 52.037 -0.156 0.000 0.803 269 A CB 0.601 19.238 19.000 -0.605 0.000 1.208 269 A HN 0.462 nan 8.150 nan 0.000 0.477 270 T N 2.457 117.053 114.554 0.070 0.000 2.812 270 T HA 0.439 4.789 4.350 -0.000 0.000 0.282 270 T C -0.688 174.049 174.700 0.062 0.000 0.990 270 T CA -0.301 61.829 62.100 0.050 0.000 0.960 270 T CB 1.092 69.995 68.868 0.057 0.000 0.948 270 T HN 0.581 nan 8.240 nan 0.000 0.438 271 L N 4.223 125.465 121.223 0.032 0.000 2.278 271 L HA 0.553 4.892 4.340 -0.000 0.000 0.287 271 L C -0.283 176.602 176.870 0.025 0.000 1.072 271 L CA 0.535 55.394 54.840 0.031 0.000 0.819 271 L CB -0.241 41.826 42.059 0.013 0.000 1.176 271 L HN 0.514 nan 8.230 nan 0.000 0.435 272 K N 2.852 123.268 120.400 0.028 0.000 2.512 272 K HA 0.398 4.718 4.320 -0.000 0.000 0.263 272 K C -0.928 175.672 176.600 -0.001 0.000 0.966 272 K CA -0.893 55.402 56.287 0.014 0.000 0.851 272 K CB 2.111 34.623 32.500 0.019 0.000 1.395 272 K HN 0.553 nan 8.250 nan 0.000 0.440 273 S N 0.235 115.926 115.700 -0.015 0.000 2.584 273 S HA 0.025 4.494 4.470 -0.000 0.000 0.270 273 S C 1.372 175.931 174.600 -0.069 0.000 1.346 273 S CA -0.441 57.734 58.200 -0.042 0.000 1.018 273 S CB 0.723 63.900 63.200 -0.038 0.000 0.899 273 S HN 0.449 nan 8.310 nan 0.000 0.542 274 V N 2.035 121.863 119.914 -0.143 0.000 3.078 274 V HA -0.014 4.106 4.120 -0.000 0.000 0.265 274 V C 1.506 177.477 176.094 -0.206 0.000 1.122 274 V CA 1.446 63.615 62.300 -0.219 0.000 1.141 274 V CB -0.957 30.628 31.823 -0.396 0.000 0.735 274 V HN 0.770 nan 8.190 nan 0.000 0.498 275 N N 1.034 119.653 118.700 -0.135 0.000 2.494 275 N HA -0.025 4.714 4.740 -0.000 0.000 0.182 275 N C 0.466 175.989 175.510 0.021 0.000 1.076 275 N CA 1.112 54.164 53.050 0.005 0.000 0.908 275 N CB -0.019 38.486 38.487 0.029 0.000 0.967 275 N HN 0.637 nan 8.380 nan 0.000 0.449 276 D N 0.590 120.989 120.400 -0.002 0.000 2.891 276 D HA 0.132 4.772 4.640 -0.000 0.000 0.332 276 D C -0.514 175.793 176.300 0.011 0.000 1.369 276 D CA -0.057 53.949 54.000 0.009 0.000 0.827 276 D CB 1.300 42.105 40.800 0.008 0.000 1.141 276 D HN -0.162 nan 8.370 nan 0.000 0.464 277 V N 1.379 121.299 119.914 0.010 0.000 2.432 277 V HA 0.118 4.238 4.120 -0.000 0.000 0.271 277 V C 0.840 176.944 176.094 0.017 0.000 1.046 277 V CA -0.466 61.842 62.300 0.014 0.000 0.945 277 V CB 1.236 33.063 31.823 0.007 0.000 0.992 277 V HN -0.089 nan 8.190 nan 0.000 0.471 278 K N 3.131 123.544 120.400 0.022 0.000 2.258 278 K HA 0.400 4.719 4.320 -0.000 0.000 0.264 278 K C 1.372 177.986 176.600 0.022 0.000 1.007 278 K CA 0.160 56.461 56.287 0.022 0.000 0.941 278 K CB 0.810 33.325 32.500 0.025 0.000 0.966 278 K HN 0.738 nan 8.250 nan 0.000 0.480 279 A N 1.936 124.769 122.820 0.021 0.000 2.131 279 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 279 A C 1.088 178.689 177.584 0.029 0.000 1.158 279 A CA 1.946 53.997 52.037 0.023 0.000 0.665 279 A CB -0.367 18.646 19.000 0.022 0.000 0.795 279 A HN 0.857 nan 8.150 nan 0.000 0.460 280 D N -0.852 119.567 120.400 0.030 0.000 2.440 280 D HA 0.102 4.742 4.640 -0.000 0.000 0.216 280 D C -0.165 176.160 176.300 0.042 0.000 1.150 280 D CA -0.117 53.904 54.000 0.035 0.000 0.832 280 D CB -0.198 40.621 40.800 0.032 0.000 0.992 280 D HN 0.465 nan 8.370 nan 0.000 0.502 281 E N 1.002 121.226 120.200 0.041 0.000 2.151 281 E HA 0.240 4.589 4.350 -0.000 0.000 0.275 281 E C -0.342 176.286 176.600 0.047 0.000 0.936 281 E CA -0.609 55.820 56.400 0.049 0.000 0.777 281 E CB 1.490 31.219 29.700 0.048 0.000 1.108 281 E HN 0.267 nan 8.360 nan 0.000 0.401 282 Q N 2.845 122.676 119.800 0.053 0.000 2.293 282 Q HA 0.462 4.802 4.340 -0.000 0.000 0.261 282 Q C -0.504 175.512 176.000 0.027 0.000 0.960 282 Q CA -0.665 55.166 55.803 0.046 0.000 0.882 282 Q CB 1.328 30.102 28.738 0.060 0.000 1.275 282 Q HN 0.474 nan 8.270 nan 0.000 0.445 283 I N 3.836 124.424 120.570 0.030 0.000 2.517 283 I HA -0.038 4.132 4.170 -0.000 0.000 0.285 283 I C 0.471 176.579 176.117 -0.014 0.000 1.106 283 I CA 0.097 61.413 61.300 0.027 0.000 1.402 283 I CB 0.504 38.531 38.000 0.044 0.000 1.399 283 I HN 0.725 nan 8.210 nan 0.000 0.535 284 L N 4.718 125.880 121.223 -0.102 0.000 2.966 284 L HA 0.398 4.738 4.340 -0.000 0.000 0.262 284 L C -0.392 176.475 176.870 -0.005 0.000 1.165 284 L CA 0.111 54.812 54.840 -0.231 0.000 0.978 284 L CB 0.343 41.857 42.059 -0.909 0.000 1.337 284 L HN 0.599 nan 8.230 nan 0.000 0.563 285 D N 0.121 120.616 120.400 0.158 0.000 2.685 285 D HA 0.230 4.869 4.640 -0.000 0.000 0.236 285 D C -0.881 175.523 176.300 0.173 0.000 1.233 285 D CA -0.532 53.608 54.000 0.235 0.000 0.760 285 D CB 1.856 42.895 40.800 0.400 0.000 1.410 285 D HN -0.071 nan 8.370 nan 0.000 0.439 286 I N -0.024 120.622 120.570 0.128 0.000 2.945 286 I HA 0.705 4.875 4.170 -0.000 0.000 0.292 286 I C 0.639 176.802 176.117 0.076 0.000 1.093 286 I CA -0.073 61.276 61.300 0.082 0.000 1.336 286 I CB 0.242 38.272 38.000 0.050 0.000 1.435 286 I HN 0.361 nan 8.210 nan 0.000 0.593 287 G N 2.630 111.458 108.800 0.047 0.000 2.588 287 G HA2 0.124 4.084 3.960 -0.000 0.000 0.281 287 G HA3 0.124 4.084 3.960 -0.000 0.000 0.281 287 G C 0.407 175.315 174.900 0.013 0.000 1.236 287 G CA -0.247 44.873 45.100 0.033 0.000 0.969 287 G HN 0.787 nan 8.290 nan 0.000 0.504 288 D N -0.052 120.350 120.400 0.004 0.000 2.097 288 D HA -0.133 4.506 4.640 -0.000 0.000 0.195 288 D C 2.719 179.010 176.300 -0.015 0.000 0.989 288 D CA 1.569 55.563 54.000 -0.009 0.000 0.827 288 D CB -0.241 40.552 40.800 -0.012 0.000 0.966 288 D HN 0.345 nan 8.370 nan 0.000 0.456 289 A N 0.664 123.477 122.820 -0.012 0.000 1.933 289 A HA -0.138 4.181 4.320 -0.000 0.000 0.218 289 A C 2.477 180.050 177.584 -0.018 0.000 1.175 289 A CA 1.743 53.771 52.037 -0.015 0.000 0.628 289 A CB -0.404 18.589 19.000 -0.013 0.000 0.814 289 A HN 0.143 nan 8.150 nan 0.000 0.444 290 S N -0.141 115.551 115.700 -0.015 0.000 2.371 290 S HA 0.039 4.509 4.470 -0.000 0.000 0.224 290 S C 2.326 176.910 174.600 -0.027 0.000 1.029 290 S CA 1.013 59.203 58.200 -0.016 0.000 0.978 290 S CB -0.450 62.746 63.200 -0.008 0.000 0.833 290 S HN 0.787 nan 8.310 nan 0.000 0.466 291 A N 1.669 124.472 122.820 -0.028 0.000 1.902 291 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 291 A C 2.136 179.683 177.584 -0.061 0.000 1.181 291 A CA 1.206 53.215 52.037 -0.047 0.000 0.623 291 A CB -0.492 18.481 19.000 -0.045 0.000 0.818 291 A HN 0.365 nan 8.150 nan 0.000 0.443 292 Q N -0.624 119.147 119.800 -0.048 0.000 2.167 292 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 292 Q C 1.878 177.850 176.000 -0.047 0.000 0.970 292 Q CA 1.618 57.391 55.803 -0.049 0.000 0.855 292 Q CB -0.368 28.347 28.738 -0.038 0.000 0.911 292 Q HN 0.798 nan 8.270 nan 0.000 0.438 293 E N 1.097 121.273 120.200 -0.040 0.000 2.072 293 E HA -0.081 4.268 4.350 -0.000 0.000 0.191 293 E C 1.982 178.555 176.600 -0.045 0.000 0.985 293 E CA 0.844 57.223 56.400 -0.035 0.000 0.801 293 E CB -0.256 29.428 29.700 -0.026 0.000 0.750 293 E HN 0.313 nan 8.360 nan 0.000 0.452 294 L N -0.129 121.060 121.223 -0.056 0.000 2.093 294 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 294 L C 2.523 179.339 176.870 -0.091 0.000 1.085 294 L CA 1.002 55.798 54.840 -0.073 0.000 0.755 294 L CB -0.656 41.352 42.059 -0.085 0.000 0.904 294 L HN 0.187 nan 8.230 nan 0.000 0.435 295 A N 0.117 122.880 122.820 -0.095 0.000 1.933 295 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 295 A C 2.182 179.718 177.584 -0.080 0.000 1.175 295 A CA 1.641 53.615 52.037 -0.104 0.000 0.628 295 A CB -0.367 18.572 19.000 -0.101 0.000 0.814 295 A HN 0.457 nan 8.150 nan 0.000 0.444 296 E N -0.361 119.802 120.200 -0.061 0.000 2.047 296 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 296 E C 1.887 178.461 176.600 -0.043 0.000 0.987 296 E CA 1.183 57.555 56.400 -0.047 0.000 0.799 296 E CB -0.287 29.391 29.700 -0.036 0.000 0.752 296 E HN 0.691 nan 8.360 nan 0.000 0.449 297 I N 1.036 121.579 120.570 -0.045 0.000 2.163 297 I HA -0.304 3.865 4.170 -0.000 0.000 0.243 297 I C 2.290 178.380 176.117 -0.044 0.000 1.085 297 I CA 1.153 62.430 61.300 -0.039 0.000 1.347 297 I CB -0.193 37.784 38.000 -0.039 0.000 1.044 297 I HN 0.103 nan 8.210 nan 0.000 0.408 298 L N 0.305 121.488 121.223 -0.066 0.000 2.201 298 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 298 L C 2.556 179.389 176.870 -0.062 0.000 1.105 298 L CA 1.107 55.901 54.840 -0.077 0.000 0.775 298 L CB -0.518 41.464 42.059 -0.129 0.000 0.913 298 L HN 0.203 nan 8.230 nan 0.000 0.440 299 K N 0.224 120.589 120.400 -0.058 0.000 2.097 299 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 299 K C 1.535 178.119 176.600 -0.027 0.000 1.050 299 K CA 1.187 57.447 56.287 -0.045 0.000 0.938 299 K CB 0.113 32.587 32.500 -0.044 0.000 0.718 299 K HN 0.323 nan 8.250 nan 0.000 0.442 300 N N 0.553 119.239 118.700 -0.023 0.000 2.422 300 N HA 0.018 4.758 4.740 -0.000 0.000 0.181 300 N C 0.009 175.517 175.510 -0.003 0.000 1.080 300 N CA 0.329 53.372 53.050 -0.012 0.000 0.893 300 N CB 0.218 38.698 38.487 -0.012 0.000 0.973 300 N HN 0.152 nan 8.380 nan 0.000 0.456 301 A N 0.989 123.806 122.820 -0.005 0.000 2.445 301 A HA 0.123 4.443 4.320 -0.000 0.000 0.242 301 A C 1.118 178.717 177.584 0.025 0.000 1.075 301 A CA 0.099 52.141 52.037 0.009 0.000 0.777 301 A CB 0.633 19.636 19.000 0.005 0.000 1.013 301 A HN 0.097 nan 8.150 nan 0.000 0.493 302 K N -0.124 120.300 120.400 0.040 0.000 2.348 302 K HA 0.103 4.423 4.320 -0.000 0.000 0.194 302 K C -0.409 176.253 176.600 0.105 0.000 1.052 302 K CA 0.803 57.126 56.287 0.059 0.000 1.004 302 K CB 0.521 33.049 32.500 0.046 0.000 0.873 302 K HN 0.714 nan 8.250 nan 0.000 0.523 303 T N 1.173 115.790 114.554 0.105 0.000 2.921 303 T HA 0.500 4.850 4.350 -0.000 0.000 0.297 303 T C -0.695 174.072 174.700 0.112 0.000 1.013 303 T CA -0.550 61.647 62.100 0.162 0.000 0.990 303 T CB 1.868 70.842 68.868 0.177 0.000 1.023 303 T HN -0.056 nan 8.240 nan 0.000 0.447 304 I N 3.189 123.819 120.570 0.101 0.000 2.466 304 I HA 0.489 4.659 4.170 -0.000 0.000 0.289 304 I C -0.907 175.275 176.117 0.109 0.000 1.026 304 I CA -0.907 60.435 61.300 0.071 0.000 1.078 304 I CB 2.126 40.135 38.000 0.015 0.000 1.249 304 I HN 0.374 nan 8.210 nan 0.000 0.429 305 L N 6.345 127.658 121.223 0.150 0.000 2.305 305 L HA 0.520 4.860 4.340 -0.000 0.000 0.284 305 L C -1.587 175.460 176.870 0.295 0.000 1.013 305 L CA -0.281 54.691 54.840 0.220 0.000 0.819 305 L CB 1.319 43.501 42.059 0.206 0.000 1.227 305 L HN 0.644 nan 8.230 nan 0.000 0.417 306 W N 7.197 128.553 121.300 0.093 0.000 2.471 306 W HA 0.428 5.087 4.660 -0.001 0.000 0.318 306 W C -1.200 175.384 176.519 0.107 0.000 1.034 306 W CA -1.191 56.193 57.345 0.064 0.000 1.224 306 W CB 1.077 30.540 29.460 0.006 0.000 1.335 306 W HN 0.527 nan 8.180 nan 0.000 0.452 307 N N 5.190 124.043 118.700 0.255 0.000 2.581 307 N HA 0.481 5.221 4.740 -0.000 0.000 0.279 307 N C -0.360 175.194 175.510 0.075 0.000 1.124 307 N CA 0.442 53.524 53.050 0.053 0.000 0.833 307 N CB 0.921 39.529 38.487 0.202 0.000 1.338 307 N HN 0.816 nan 8.380 nan 0.000 0.533 308 G N 3.132 111.879 108.800 -0.088 0.000 2.570 308 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.686 308 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.686 308 G C -3.459 171.627 174.900 0.310 0.000 1.257 308 G CA -0.979 44.178 45.100 0.094 0.000 0.846 308 G HN 0.405 nan 8.290 nan 0.000 0.627 309 P HA 0.508 nan 4.420 nan 0.000 0.283 309 P C 0.960 178.442 177.300 0.304 0.000 1.271 309 P CA 0.298 63.649 63.100 0.418 0.000 0.841 309 P CB 1.577 33.626 31.700 0.581 0.000 1.122 310 V N -3.173 116.899 119.914 0.264 0.000 3.621 310 V HA 0.597 4.717 4.120 -0.000 0.000 0.285 310 V C 0.608 176.808 176.094 0.176 0.000 1.346 310 V CA 0.578 62.980 62.300 0.171 0.000 1.104 310 V CB -0.490 31.393 31.823 0.099 0.000 0.913 310 V HN 0.763 nan 8.190 nan 0.000 0.432 311 G N -0.743 108.199 108.800 0.237 0.000 2.550 311 G HA2 0.466 4.426 3.960 -0.000 0.000 0.293 311 G HA3 0.466 4.426 3.960 -0.000 0.000 0.293 311 G C -1.275 173.754 174.900 0.217 0.000 1.402 311 G CA -0.192 45.039 45.100 0.218 0.000 0.784 311 G HN 0.181 nan 8.290 nan 0.000 0.482 312 V N 2.340 122.325 119.914 0.117 0.000 2.223 312 V HA 0.162 4.281 4.120 -0.000 0.000 0.249 312 V C 1.283 177.351 176.094 -0.043 0.000 1.233 312 V CA 0.022 62.265 62.300 -0.095 0.000 1.131 312 V CB -1.257 30.415 31.823 -0.252 0.000 1.298 312 V HN 0.644 nan 8.190 nan 0.000 0.498 313 F N 1.012 120.999 119.950 0.063 0.000 2.546 313 F HA 0.039 4.566 4.527 -0.000 0.000 0.298 313 F C 1.593 177.408 175.800 0.026 0.000 1.120 313 F CA 0.531 58.605 58.000 0.123 0.000 1.456 313 F CB -0.470 38.657 39.000 0.211 0.000 1.088 313 F HN 0.348 nan 8.300 nan 0.000 0.572 314 E N 0.681 120.546 120.200 -0.559 0.000 2.153 314 E HA -0.087 4.262 4.350 -0.000 0.000 0.194 314 E C 0.042 176.585 176.600 -0.095 0.000 0.988 314 E CA 0.861 57.004 56.400 -0.429 0.000 0.811 314 E CB -0.312 28.985 29.700 -0.672 0.000 0.746 314 E HN 0.322 nan 8.360 nan 0.000 0.466 315 F N 0.161 120.104 119.950 -0.012 0.000 2.405 315 F HA 0.262 4.789 4.527 -0.000 0.000 0.355 315 F C -1.526 174.342 175.800 0.113 0.000 1.121 315 F CA -3.447 54.589 58.000 0.060 0.000 1.112 315 F CB 0.805 39.894 39.000 0.148 0.000 1.126 315 F HN -0.141 nan 8.300 nan 0.000 0.481 316 P HA -0.182 nan 4.420 nan 0.000 0.216 316 P C 1.133 178.476 177.300 0.071 0.000 1.153 316 P CA 1.471 64.658 63.100 0.145 0.000 0.858 316 P CB 0.295 32.044 31.700 0.081 0.000 0.789 317 N N -1.661 117.024 118.700 -0.026 0.000 2.520 317 N HA -0.058 4.682 4.740 -0.000 0.000 0.185 317 N C 0.210 175.339 175.510 -0.635 0.000 1.068 317 N CA 0.868 53.708 53.050 -0.350 0.000 0.911 317 N CB -0.377 37.796 38.487 -0.522 0.000 0.961 317 N HN 0.258 nan 8.380 nan 0.000 0.446 318 F N -1.099 118.948 119.950 0.162 0.000 2.790 318 F HA 0.377 4.904 4.527 -0.000 0.000 0.371 318 F C 1.540 177.454 175.800 0.191 0.000 1.293 318 F CA -0.514 57.583 58.000 0.162 0.000 1.205 318 F CB 0.424 39.532 39.000 0.180 0.000 1.047 318 F HN -0.162 nan 8.300 nan 0.000 0.510 319 R N 0.211 120.884 120.500 0.288 0.000 2.250 319 R HA 0.069 4.409 4.340 -0.000 0.000 0.194 319 R C 2.196 178.649 176.300 0.256 0.000 0.927 319 R CA 0.444 56.757 56.100 0.354 0.000 1.052 319 R CB 0.275 30.788 30.300 0.354 0.000 1.055 319 R HN 0.085 nan 8.270 nan 0.000 0.537 320 K N 0.422 120.907 120.400 0.142 0.000 2.059 320 K HA -0.100 4.219 4.320 -0.000 0.000 0.212 320 K C 1.718 178.323 176.600 0.008 0.000 1.050 320 K CA 2.172 58.490 56.287 0.051 0.000 0.927 320 K CB -0.824 31.689 32.500 0.021 0.000 0.714 320 K HN 0.272 nan 8.250 nan 0.000 0.447 321 G N -1.063 107.773 108.800 0.060 0.000 2.421 321 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 321 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 321 G C 1.456 176.344 174.900 -0.019 0.000 1.171 321 G CA 1.418 46.536 45.100 0.031 0.000 0.775 321 G HN 0.441 nan 8.290 nan 0.000 0.543 322 T N 0.139 114.723 114.554 0.050 0.000 2.951 322 T HA 0.004 4.354 4.350 -0.000 0.000 0.268 322 T C 2.032 176.493 174.700 -0.399 0.000 1.073 322 T CA 1.241 63.343 62.100 0.003 0.000 1.134 322 T CB 0.017 69.048 68.868 0.273 0.000 0.884 322 T HN 0.513 nan 8.240 nan 0.000 0.479 323 E N 0.861 120.712 120.200 -0.581 0.000 2.051 323 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 323 E C 2.081 178.301 176.600 -0.633 0.000 0.991 323 E CA 0.978 56.701 56.400 -1.129 0.000 0.799 323 E CB -0.205 29.136 29.700 -0.598 0.000 0.748 323 E HN 0.460 nan 8.360 nan 0.000 0.449 324 I N 0.411 120.769 120.570 -0.354 0.000 2.163 324 I HA -0.281 3.889 4.170 -0.000 0.000 0.243 324 I C 2.406 178.350 176.117 -0.288 0.000 1.085 324 I CA 0.820 61.967 61.300 -0.254 0.000 1.347 324 I CB -0.150 37.755 38.000 -0.159 0.000 1.044 324 I HN 0.074 nan 8.210 nan 0.000 0.408 325 V N 0.846 120.572 119.914 -0.313 0.000 2.307 325 V HA -0.289 3.831 4.120 -0.000 0.000 0.245 325 V C 2.699 178.463 176.094 -0.550 0.000 1.045 325 V CA 1.978 64.051 62.300 -0.378 0.000 1.024 325 V CB -1.057 30.561 31.823 -0.343 0.000 0.651 325 V HN 0.499 nan 8.190 nan 0.000 0.449 326 A N 0.457 122.912 122.820 -0.609 0.000 1.883 326 A HA -0.258 4.061 4.320 -0.000 0.000 0.217 326 A C 2.068 179.422 177.584 -0.383 0.000 1.186 326 A CA 2.203 53.874 52.037 -0.609 0.000 0.624 326 A CB -0.705 18.112 19.000 -0.304 0.000 0.822 326 A HN 0.598 nan 8.150 nan 0.000 0.444 327 N N 0.167 118.661 118.700 -0.342 0.000 2.244 327 N HA -0.058 4.681 4.740 -0.000 0.000 0.183 327 N C 1.870 177.266 175.510 -0.190 0.000 1.016 327 N CA 1.346 54.265 53.050 -0.218 0.000 0.866 327 N CB -0.489 37.877 38.487 -0.202 0.000 0.980 327 N HN 0.486 nan 8.380 nan 0.000 0.430 328 A N 1.217 123.900 122.820 -0.229 0.000 1.902 328 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 328 A C 2.285 179.759 177.584 -0.183 0.000 1.181 328 A CA 0.864 52.789 52.037 -0.188 0.000 0.623 328 A CB -0.575 18.307 19.000 -0.196 0.000 0.818 328 A HN 0.193 nan 8.150 nan 0.000 0.443 329 I N -0.235 120.181 120.570 -0.256 0.000 2.252 329 I HA -0.236 3.933 4.170 -0.000 0.000 0.245 329 I C 2.934 178.975 176.117 -0.127 0.000 1.102 329 I CA 0.969 62.139 61.300 -0.217 0.000 1.385 329 I CB -0.332 37.464 38.000 -0.340 0.000 1.064 329 I HN 0.336 nan 8.210 nan 0.000 0.414 330 A N 0.611 123.359 122.820 -0.119 0.000 1.877 330 A HA -0.215 4.104 4.320 -0.000 0.000 0.216 330 A C 1.884 179.437 177.584 -0.052 0.000 1.186 330 A CA 2.036 54.037 52.037 -0.061 0.000 0.620 330 A CB -0.531 18.441 19.000 -0.047 0.000 0.822 330 A HN 0.350 nan 8.150 nan 0.000 0.443 331 D N -0.195 120.166 120.400 -0.065 0.000 2.347 331 D HA 0.064 4.704 4.640 -0.000 0.000 0.213 331 D C 0.815 177.090 176.300 -0.042 0.000 0.985 331 D CA 0.493 54.464 54.000 -0.049 0.000 0.879 331 D CB -0.178 40.588 40.800 -0.055 0.000 0.919 331 D HN 0.290 nan 8.370 nan 0.000 0.526 332 S N 0.358 116.028 115.700 -0.050 0.000 2.564 332 S HA 0.005 4.475 4.470 -0.000 0.000 0.278 332 S C 1.080 175.672 174.600 -0.014 0.000 1.333 332 S CA -0.286 57.892 58.200 -0.037 0.000 1.048 332 S CB 1.065 64.236 63.200 -0.048 0.000 0.900 332 S HN 0.008 nan 8.310 nan 0.000 0.505 333 E N 1.996 122.196 120.200 -0.000 0.000 2.511 333 E HA 0.116 4.466 4.350 -0.000 0.000 0.196 333 E C 0.697 177.322 176.600 0.042 0.000 1.066 333 E CA -0.017 56.394 56.400 0.018 0.000 0.871 333 E CB 0.085 29.795 29.700 0.017 0.000 0.863 333 E HN 0.687 nan 8.360 nan 0.000 0.520 334 A N 1.067 123.909 122.820 0.038 0.000 2.425 334 A HA 0.077 4.397 4.320 -0.000 0.000 0.242 334 A C -0.266 177.387 177.584 0.114 0.000 1.077 334 A CA -0.282 51.799 52.037 0.074 0.000 0.781 334 A CB -0.012 19.016 19.000 0.047 0.000 1.020 334 A HN 0.265 nan 8.150 nan 0.000 0.494 335 F N 3.152 123.119 119.950 0.028 0.000 2.494 335 F HA 0.373 4.900 4.527 -0.000 0.000 0.369 335 F C 0.688 176.526 175.800 0.064 0.000 1.098 335 F CA 0.160 58.185 58.000 0.043 0.000 1.154 335 F CB 0.313 39.335 39.000 0.036 0.000 1.103 335 F HN 0.444 nan 8.300 nan 0.000 0.549 336 S N 7.783 123.186 115.700 -0.494 0.000 2.433 336 S HA 0.572 5.042 4.470 -0.000 0.000 0.310 336 S C -0.629 173.686 174.600 -0.475 0.000 1.097 336 S CA -0.853 57.146 58.200 -0.334 0.000 1.103 336 S CB 1.437 64.564 63.200 -0.122 0.000 0.992 336 S HN 0.768 nan 8.310 nan 0.000 0.469 337 I N 2.906 123.327 120.570 -0.248 0.000 2.404 337 I HA 0.755 4.925 4.170 -0.000 0.000 0.293 337 I C -0.441 175.735 176.117 0.099 0.000 0.992 337 I CA -0.745 60.525 61.300 -0.049 0.000 1.149 337 I CB 1.393 39.468 38.000 0.125 0.000 1.315 337 I HN 0.924 nan 8.210 nan 0.000 0.446 338 A N 5.044 127.858 122.820 -0.009 0.000 2.386 338 A HA 0.943 5.263 4.320 -0.000 0.000 0.311 338 A C -0.565 176.714 177.584 -0.509 0.000 1.068 338 A CA -0.348 51.605 52.037 -0.141 0.000 0.743 338 A CB 1.614 20.517 19.000 -0.161 0.000 1.258 338 A HN 0.894 nan 8.150 nan 0.000 0.429 339 G N -0.701 107.694 108.800 -0.675 0.000 2.698 339 G HA2 0.840 4.800 3.960 -0.000 0.000 0.293 339 G HA3 0.840 4.800 3.960 -0.000 0.000 0.293 339 G C -0.231 174.388 174.900 -0.469 0.000 1.437 339 G CA 0.102 44.542 45.100 -1.100 0.000 0.852 339 G HN 2.392 nan 8.290 nan 0.000 0.499 340 G N -1.341 107.267 108.800 -0.320 0.000 2.885 340 G HA2 0.419 4.378 3.960 -0.000 0.000 0.685 340 G HA3 0.419 4.378 3.960 -0.000 0.000 0.685 340 G C 0.992 175.795 174.900 -0.161 0.000 1.216 340 G CA 0.316 45.333 45.100 -0.138 0.000 0.790 340 G HN 1.843 nan 8.290 nan 0.000 0.631 341 G N 1.293 110.040 108.800 -0.087 0.000 2.476 341 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 341 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 341 G C 1.550 176.416 174.900 -0.057 0.000 1.164 341 G CA 2.164 47.222 45.100 -0.070 0.000 0.768 341 G HN 1.248 nan 8.290 nan 0.000 0.560 342 D N 0.415 120.803 120.400 -0.021 0.000 2.117 342 D HA -0.101 4.539 4.640 -0.000 0.000 0.197 342 D C 2.224 178.511 176.300 -0.022 0.000 0.987 342 D CA 1.769 55.814 54.000 0.075 0.000 0.829 342 D CB -1.315 39.556 40.800 0.118 0.000 0.961 342 D HN 0.298 nan 8.370 nan 0.000 0.460 343 T N 1.134 115.538 114.554 -0.250 0.000 2.746 343 T HA -0.028 4.321 4.350 -0.000 0.000 0.267 343 T C 2.086 176.443 174.700 -0.571 0.000 1.039 343 T CA 0.913 62.630 62.100 -0.639 0.000 1.142 343 T CB -0.279 68.076 68.868 -0.854 0.000 0.866 343 T HN 0.173 nan 8.240 nan 0.000 0.444 344 L N 0.733 121.740 121.223 -0.359 0.000 2.156 344 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 344 L C 3.100 179.858 176.870 -0.187 0.000 1.095 344 L CA 1.087 55.766 54.840 -0.268 0.000 0.770 344 L CB -0.893 41.039 42.059 -0.212 0.000 0.914 344 L HN 0.263 nan 8.230 nan 0.000 0.439 345 A N 0.446 123.192 122.820 -0.122 0.000 1.930 345 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 345 A C 2.571 180.057 177.584 -0.165 0.000 1.175 345 A CA 1.590 53.601 52.037 -0.043 0.000 0.627 345 A CB -0.471 18.606 19.000 0.129 0.000 0.815 345 A HN 0.381 nan 8.150 nan 0.000 0.443 346 A N 0.023 122.621 122.820 -0.371 0.000 1.898 346 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 346 A C 2.098 179.582 177.584 -0.166 0.000 1.181 346 A CA 1.442 53.132 52.037 -0.579 0.000 0.620 346 A CB -0.591 18.100 19.000 -0.516 0.000 0.819 346 A HN 0.487 nan 8.150 nan 0.000 0.442 347 I N -0.249 120.258 120.570 -0.105 0.000 2.163 347 I HA -0.277 3.892 4.170 -0.000 0.000 0.243 347 I C 2.299 178.398 176.117 -0.029 0.000 1.085 347 I CA 2.048 63.358 61.300 0.016 0.000 1.347 347 I CB -0.373 37.588 38.000 -0.064 0.000 1.044 347 I HN 0.443 nan 8.210 nan 0.000 0.408 348 D N 0.701 121.040 120.400 -0.102 0.000 2.144 348 D HA -0.203 4.436 4.640 -0.000 0.000 0.200 348 D C 2.064 178.281 176.300 -0.138 0.000 0.978 348 D CA 0.842 54.785 54.000 -0.095 0.000 0.833 348 D CB 0.061 40.808 40.800 -0.088 0.000 0.961 348 D HN 0.139 nan 8.370 nan 0.000 0.470 349 L N -0.619 120.439 121.223 -0.276 0.000 2.046 349 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 349 L C 1.258 177.841 176.870 -0.478 0.000 1.077 349 L CA 1.619 56.185 54.840 -0.458 0.000 0.747 349 L CB -0.465 41.138 42.059 -0.759 0.000 0.896 349 L HN 0.068 nan 8.230 nan 0.000 0.432 350 F N 0.096 120.033 119.950 -0.021 0.000 2.727 350 F HA 0.439 4.966 4.527 -0.000 0.000 0.302 350 F C 1.698 177.492 175.800 -0.009 0.000 1.097 350 F CA 0.013 58.005 58.000 -0.012 0.000 1.330 350 F CB -0.812 38.178 39.000 -0.017 0.000 1.084 350 F HN 0.102 nan 8.300 nan 0.000 0.578 351 G N 2.469 111.322 108.800 0.089 0.000 2.333 351 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.296 351 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.296 351 G C 0.561 175.498 174.900 0.061 0.000 1.059 351 G CA 0.619 45.750 45.100 0.051 0.000 1.050 351 G HN 0.531 nan 8.290 nan 0.000 0.508 352 I N -3.091 117.524 120.570 0.075 0.000 3.947 352 I HA 0.607 4.777 4.170 -0.000 0.000 0.327 352 I C 1.535 177.673 176.117 0.036 0.000 1.519 352 I CA 0.604 61.941 61.300 0.061 0.000 1.122 352 I CB -0.454 37.597 38.000 0.085 0.000 1.146 352 I HN 0.262 nan 8.210 nan 0.000 0.442 353 A N 2.849 125.675 122.820 0.011 0.000 1.917 353 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 353 A C 1.879 179.446 177.584 -0.028 0.000 1.182 353 A CA 2.421 54.445 52.037 -0.023 0.000 0.633 353 A CB -0.751 18.223 19.000 -0.044 0.000 0.819 353 A HN 0.701 nan 8.150 nan 0.000 0.448 354 D N -0.802 119.589 120.400 -0.016 0.000 2.363 354 D HA -0.062 4.578 4.640 -0.000 0.000 0.226 354 D C 1.312 177.608 176.300 -0.007 0.000 1.020 354 D CA 0.878 54.870 54.000 -0.014 0.000 0.892 354 D CB -0.174 40.621 40.800 -0.008 0.000 0.900 354 D HN 0.516 nan 8.370 nan 0.000 0.531 355 K N -0.426 119.972 120.400 -0.003 0.000 2.354 355 K HA 0.219 4.539 4.320 -0.000 0.000 0.194 355 K C 0.277 176.871 176.600 -0.010 0.000 1.045 355 K CA -0.216 56.069 56.287 -0.003 0.000 1.026 355 K CB 0.890 33.390 32.500 -0.000 0.000 0.866 355 K HN 0.050 nan 8.250 nan 0.000 0.530 356 I N 1.141 121.703 120.570 -0.013 0.000 2.371 356 I HA -0.011 4.159 4.170 -0.000 0.000 0.290 356 I C 1.131 177.208 176.117 -0.067 0.000 1.028 356 I CA 0.188 61.468 61.300 -0.035 0.000 1.345 356 I CB 1.871 39.864 38.000 -0.011 0.000 1.407 356 I HN -0.018 nan 8.210 nan 0.000 0.501 357 S N 4.399 120.027 115.700 -0.120 0.000 2.370 357 S HA -0.169 4.301 4.470 -0.000 0.000 0.226 357 S C 0.044 174.647 174.600 0.005 0.000 1.033 357 S CA 1.400 59.546 58.200 -0.089 0.000 1.011 357 S CB -0.161 62.877 63.200 -0.269 0.000 0.852 357 S HN 0.598 nan 8.310 nan 0.000 0.457 358 Y N -0.104 120.053 120.300 -0.237 0.000 2.396 358 Y HA 0.531 5.080 4.550 -0.001 0.000 0.332 358 Y C -1.573 174.238 175.900 -0.149 0.000 1.034 358 Y CA -1.018 57.003 58.100 -0.131 0.000 1.057 358 Y CB 0.953 39.385 38.460 -0.047 0.000 1.220 358 Y HN -0.049 nan 8.280 nan 0.000 0.440 359 I N 5.130 125.300 120.570 -0.666 0.000 2.328 359 I HA 0.272 4.442 4.170 -0.000 0.000 0.287 359 I C -0.114 175.608 176.117 -0.658 0.000 1.012 359 I CA -0.502 60.491 61.300 -0.512 0.000 1.195 359 I CB 1.469 39.252 38.000 -0.362 0.000 1.350 359 I HN 0.542 nan 8.210 nan 0.000 0.464 360 S N 3.400 118.836 115.700 -0.441 0.000 2.513 360 S HA 0.240 4.710 4.470 -0.000 0.000 0.276 360 S C 0.966 175.389 174.600 -0.296 0.000 1.254 360 S CA -0.438 57.579 58.200 -0.304 0.000 1.053 360 S CB 0.674 63.626 63.200 -0.413 0.000 0.958 360 S HN 0.752 nan 8.310 nan 0.000 0.491 361 T N 1.541 116.023 114.554 -0.120 0.000 3.134 361 T HA 0.264 4.614 4.350 -0.000 0.000 0.260 361 T C 1.606 176.330 174.700 0.041 0.000 1.027 361 T CA 0.208 62.265 62.100 -0.072 0.000 0.913 361 T CB 0.018 68.853 68.868 -0.055 0.000 1.046 361 T HN 0.627 nan 8.240 nan 0.000 0.553 362 G N 1.155 110.063 108.800 0.179 0.000 2.470 362 G HA2 0.318 4.278 3.960 -0.000 0.000 0.220 362 G HA3 0.318 4.278 3.960 -0.000 0.000 0.220 362 G C 1.310 176.245 174.900 0.060 0.000 1.121 362 G CA 0.271 45.547 45.100 0.293 0.000 0.766 362 G HN 0.987 nan 8.290 nan 0.000 0.553 363 G N 0.091 108.922 108.800 0.051 0.000 2.634 363 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.318 363 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.318 363 G C 1.590 176.495 174.900 0.008 0.000 1.207 363 G CA 1.126 46.231 45.100 0.009 0.000 0.987 363 G HN 1.236 nan 8.290 nan 0.000 0.547 364 G N 0.216 108.948 108.800 -0.112 0.000 2.422 364 G HA2 0.206 4.166 3.960 -0.000 0.000 0.218 364 G HA3 0.206 4.166 3.960 -0.000 0.000 0.218 364 G C 2.119 176.770 174.900 -0.414 0.000 1.146 364 G CA 2.943 47.933 45.100 -0.184 0.000 0.769 364 G HN 1.808 nan 8.290 nan 0.000 0.547 365 A N 0.201 122.548 122.820 -0.787 0.000 1.969 365 A HA 0.135 4.455 4.320 -0.000 0.000 0.218 365 A C 2.106 179.573 177.584 -0.196 0.000 1.169 365 A CA 1.376 52.947 52.037 -0.777 0.000 0.635 365 A CB -0.455 17.896 19.000 -1.082 0.000 0.810 365 A HN 0.380 nan 8.150 nan 0.000 0.445 366 F N 0.597 120.529 119.950 -0.031 0.000 2.075 366 F HA -0.120 4.407 4.527 -0.001 0.000 0.297 366 F C 1.909 177.831 175.800 0.204 0.000 1.113 366 F CA 1.723 59.897 58.000 0.290 0.000 1.218 366 F CB -0.309 38.832 39.000 0.234 0.000 0.984 366 F HN 0.136 nan 8.300 nan 0.000 0.472 367 L N 0.042 121.361 121.223 0.159 0.000 2.046 367 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 367 L C 2.405 179.280 176.870 0.009 0.000 1.077 367 L CA 1.772 56.644 54.840 0.052 0.000 0.747 367 L CB -0.769 41.346 42.059 0.092 0.000 0.896 367 L HN 0.183 nan 8.230 nan 0.000 0.432 368 E N -0.666 119.547 120.200 0.022 0.000 2.150 368 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 368 E C 1.992 178.622 176.600 0.050 0.000 0.985 368 E CA 1.070 57.488 56.400 0.031 0.000 0.814 368 E CB -0.062 29.666 29.700 0.048 0.000 0.752 368 E HN 0.384 nan 8.360 nan 0.000 0.466 369 F N 0.719 120.648 119.950 -0.036 0.000 2.146 369 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 369 F C 2.067 177.820 175.800 -0.078 0.000 1.096 369 F CA 0.939 58.935 58.000 -0.006 0.000 1.275 369 F CB -0.039 39.029 39.000 0.114 0.000 1.008 369 F HN -0.206 nan 8.300 nan 0.000 0.480 370 V N 0.369 120.280 119.914 -0.005 0.000 2.490 370 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 370 V C 2.040 178.071 176.094 -0.106 0.000 1.061 370 V CA 2.152 64.394 62.300 -0.097 0.000 1.064 370 V CB -0.723 30.995 31.823 -0.174 0.000 0.670 370 V HN 0.348 nan 8.190 nan 0.000 0.461 371 E N -0.038 120.112 120.200 -0.083 0.000 2.333 371 E HA -0.001 4.348 4.350 -0.000 0.000 0.198 371 E C 1.733 178.272 176.600 -0.102 0.000 1.007 371 E CA 0.666 57.026 56.400 -0.066 0.000 0.845 371 E CB -0.174 29.506 29.700 -0.034 0.000 0.766 371 E HN 0.692 nan 8.360 nan 0.000 0.507 372 G N 1.891 110.579 108.800 -0.186 0.000 2.132 372 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.234 372 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.234 372 G C 0.143 174.945 174.900 -0.164 0.000 0.989 372 G CA 0.318 45.286 45.100 -0.219 0.000 0.676 372 G HN 0.193 nan 8.290 nan 0.000 0.522 373 K N 0.133 120.457 120.400 -0.126 0.000 2.202 373 K HA 0.523 4.843 4.320 -0.000 0.000 0.264 373 K C 0.665 177.231 176.600 -0.058 0.000 1.010 373 K CA -0.565 55.683 56.287 -0.066 0.000 0.940 373 K CB 0.825 33.310 32.500 -0.025 0.000 0.983 373 K HN 0.001 nan 8.250 nan 0.000 0.475 374 V N 5.725 125.623 119.914 -0.027 0.000 2.427 374 V HA 0.100 4.220 4.120 -0.000 0.000 0.268 374 V C 0.158 176.273 176.094 0.036 0.000 1.046 374 V CA -0.360 61.941 62.300 0.002 0.000 0.970 374 V CB 0.447 32.269 31.823 -0.001 0.000 1.001 374 V HN 0.573 nan 8.190 nan 0.000 0.476 375 L N 8.045 129.322 121.223 0.090 0.000 2.278 375 L HA 0.266 4.606 4.340 -0.000 0.000 0.287 375 L C -1.371 175.555 176.870 0.093 0.000 1.072 375 L CA -1.567 53.338 54.840 0.108 0.000 0.819 375 L CB 1.170 43.338 42.059 0.180 0.000 1.176 375 L HN 0.411 nan 8.230 nan 0.000 0.435 376 P HA -0.225 nan 4.420 nan 0.000 0.215 376 P C 1.480 178.921 177.300 0.236 0.000 1.157 376 P CA 1.626 64.726 63.100 0.000 0.000 0.874 376 P CB 0.363 31.897 31.700 -0.277 0.000 0.790 377 A N -0.802 122.145 122.820 0.211 0.000 1.902 377 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 377 A C 2.347 180.056 177.584 0.209 0.000 1.181 377 A CA 1.985 54.175 52.037 0.256 0.000 0.623 377 A CB -1.704 17.419 19.000 0.205 0.000 0.818 377 A HN 0.051 nan 8.150 nan 0.000 0.443 378 V N -0.195 119.832 119.914 0.189 0.000 2.358 378 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 378 V C 3.044 179.227 176.094 0.147 0.000 1.047 378 V CA 1.808 64.215 62.300 0.178 0.000 1.035 378 V CB -1.295 30.667 31.823 0.232 0.000 0.658 378 V HN 0.612 nan 8.190 nan 0.000 0.452 379 A N -0.104 122.804 122.820 0.146 0.000 1.908 379 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 379 A C 2.205 179.850 177.584 0.102 0.000 1.181 379 A CA 2.539 54.645 52.037 0.115 0.000 0.627 379 A CB -0.575 18.489 19.000 0.108 0.000 0.818 379 A HN 0.506 nan 8.150 nan 0.000 0.445 380 M N -0.112 119.565 119.600 0.129 0.000 2.080 380 M HA -0.112 4.367 4.480 -0.000 0.000 0.260 380 M C 1.847 178.167 176.300 0.034 0.000 1.068 380 M CA 1.820 57.143 55.300 0.039 0.000 1.109 380 M CB -0.550 32.022 32.600 -0.046 0.000 1.342 380 M HN 0.352 nan 8.290 nan 0.000 0.405 381 L N -0.606 120.662 121.223 0.074 0.000 2.093 381 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 381 L C 2.305 179.202 176.870 0.045 0.000 1.085 381 L CA 1.411 56.288 54.840 0.061 0.000 0.755 381 L CB -0.844 41.256 42.059 0.068 0.000 0.904 381 L HN 0.402 nan 8.230 nan 0.000 0.435 382 E N -0.334 119.899 120.200 0.055 0.000 2.110 382 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 382 E C 2.147 178.764 176.600 0.029 0.000 0.988 382 E CA 0.819 57.246 56.400 0.045 0.000 0.804 382 E CB 0.108 29.842 29.700 0.057 0.000 0.745 382 E HN 0.353 nan 8.360 nan 0.000 0.458 383 E N 0.475 120.689 120.200 0.024 0.000 2.046 383 E HA -0.103 4.246 4.350 -0.000 0.000 0.190 383 E C 2.085 178.684 176.600 -0.002 0.000 0.982 383 E CA 0.670 57.074 56.400 0.008 0.000 0.800 383 E CB -0.001 29.698 29.700 -0.001 0.000 0.756 383 E HN 0.097 nan 8.360 nan 0.000 0.449 384 R N 0.475 120.972 120.500 -0.005 0.000 2.096 384 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 384 R C 2.037 178.339 176.300 0.004 0.000 1.127 384 R CA 1.113 57.210 56.100 -0.006 0.000 0.968 384 R CB -0.797 29.502 30.300 -0.001 0.000 0.861 384 R HN 0.106 nan 8.270 nan 0.000 0.440 385 A N 0.968 123.795 122.820 0.010 0.000 2.209 385 A HA -0.058 4.262 4.320 -0.000 0.000 0.212 385 A C 1.029 178.618 177.584 0.009 0.000 1.158 385 A CA 0.303 52.346 52.037 0.011 0.000 0.742 385 A CB -0.153 18.855 19.000 0.013 0.000 0.790 385 A HN 0.081 nan 8.150 nan 0.000 0.472 386 K N 1.167 121.571 120.400 0.007 0.000 2.299 386 K HA 0.342 4.662 4.320 -0.000 0.000 0.268 386 K C -0.552 176.050 176.600 0.003 0.000 1.075 386 K CA -0.188 56.103 56.287 0.006 0.000 0.936 386 K CB 0.185 32.690 32.500 0.007 0.000 1.228 386 K HN 0.288 nan 8.250 nan 0.000 0.454 387 K N 0.000 120.402 120.400 0.004 0.000 2.780 387 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 387 K CA 0.000 56.289 56.287 0.003 0.000 0.838 387 K CB 0.000 32.502 32.500 0.004 0.000 1.064 387 K HN 0.000 nan 8.250 nan 0.000 0.543