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 1sjp_1_A DATA FIRST_RESID 60 DATA SEQUENCE LEDPYEKIGA ELVKEVAKKT XXXXXXXXTT ATVLAQALVR EGLRNVAAGA DATA SEQUENCE NPLGLKRGIE KAVEKVTETL LKGAKEVETK EQIAATAAIS AGDQSIGDLI DATA SEQUENCE AEAMDKVGNE GVITVEESNT FGLQLELTEG MRFDKGYISG YFVTDPERQE DATA SEQUENCE AVLEDPYILL VSSKVSTVKD LLPLLEKVIG AGKPLLIIAE DVEGEALSTL DATA SEQUENCE VVNKIRGTFK SVAVKAPGFG DRRKAMLQDM AILTGGQVIS EEVGLTLENA DATA SEQUENCE DLSLLGKARK VVVTKDETTI VEGAGDTDAI AGRVAQIRQE IENSDSDYDR DATA SEQUENCE EKLQERLAKL AGGVAVIKAG AATEVELKER KHRIEDAVRN AKAAVEEGIV DATA SEQUENCE AGGGVTLLQA APTLDELKLE GDEATGANIV KVALEAPLKQ IAFNSGLEPG DATA SEQUENCE VVAEKVRNLP AGHGLNAQTG VYEDLLAAGV ADPVKVTRSA LQNAASIAGL DATA SEQUENCE FLTTE 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 60 L HA 0.000 nan 4.340 nan 0.000 0.249 60 L C 0.000 176.869 176.870 -0.001 0.000 1.165 60 L CA 0.000 54.842 54.840 0.003 0.000 0.813 60 L CB 0.000 42.063 42.059 0.007 0.000 0.961 61 E N 0.818 121.015 120.200 -0.005 0.000 2.313 61 E HA 0.163 4.518 4.350 0.009 0.000 0.272 61 E C -0.981 175.623 176.600 0.008 0.000 1.038 61 E CA -0.640 55.756 56.400 -0.007 0.000 0.863 61 E CB 1.397 31.083 29.700 -0.023 0.000 1.060 61 E HN 0.426 nan 8.360 nan 0.000 0.402 62 D N 2.944 123.355 120.400 0.017 0.000 2.401 62 D HA 0.020 4.665 4.640 0.009 0.000 0.254 62 D C -1.568 174.766 176.300 0.057 0.000 1.192 62 D CA -1.748 52.278 54.000 0.043 0.000 0.885 62 D CB 1.048 41.886 40.800 0.063 0.000 1.147 62 D HN 0.007 nan 8.370 nan 0.000 0.478 63 P HA -0.228 nan 4.420 nan 0.000 0.217 63 P C 1.187 178.548 177.300 0.101 0.000 1.162 63 P CA 1.248 64.389 63.100 0.068 0.000 0.901 63 P CB -0.115 31.629 31.700 0.073 0.000 0.793 64 Y N 0.956 121.258 120.300 0.003 0.000 2.165 64 Y HA -0.202 4.354 4.550 0.010 0.000 0.286 64 Y C 2.102 178.005 175.900 0.005 0.000 1.155 64 Y CA 1.664 59.769 58.100 0.008 0.000 1.164 64 Y CB -0.729 37.737 38.460 0.009 0.000 0.978 64 Y HN 0.040 nan 8.280 nan 0.000 0.513 65 E N -0.200 120.022 120.200 0.036 0.000 2.204 65 E HA -0.205 4.150 4.350 0.009 0.000 0.194 65 E C 2.046 178.583 176.600 -0.105 0.000 0.989 65 E CA 1.062 57.422 56.400 -0.066 0.000 0.824 65 E CB -0.057 29.644 29.700 0.003 0.000 0.756 65 E HN 0.455 nan 8.360 nan 0.000 0.477 66 K N 0.997 121.357 120.400 -0.066 0.000 2.044 66 K HA -0.054 4.271 4.320 0.009 0.000 0.204 66 K C 2.205 178.756 176.600 -0.081 0.000 1.045 66 K CA 0.372 56.621 56.287 -0.064 0.000 0.951 66 K CB 0.003 32.485 32.500 -0.029 0.000 0.738 66 K HN 0.014 nan 8.250 nan 0.000 0.443 67 I N 1.478 122.002 120.570 -0.077 0.000 2.399 67 I HA -0.167 4.008 4.170 0.009 0.000 0.254 67 I C 1.634 177.679 176.117 -0.120 0.000 1.146 67 I CA 1.850 63.106 61.300 -0.073 0.000 1.412 67 I CB -0.869 37.109 38.000 -0.037 0.000 1.076 67 I HN 0.394 nan 8.210 nan 0.000 0.432 68 G N -0.426 108.244 108.800 -0.216 0.000 2.492 68 G HA2 0.018 3.983 3.960 0.009 0.000 0.214 68 G HA3 0.018 3.983 3.960 0.009 0.000 0.214 68 G C 1.727 176.505 174.900 -0.202 0.000 1.147 68 G CA 0.531 45.495 45.100 -0.227 0.000 0.809 68 G HN 0.501 nan 8.290 nan 0.000 0.533 69 A N 1.068 123.783 122.820 -0.175 0.000 1.969 69 A HA 0.069 4.394 4.320 0.009 0.000 0.218 69 A C 2.082 179.591 177.584 -0.125 0.000 1.169 69 A CA 1.725 53.664 52.037 -0.163 0.000 0.635 69 A CB -0.251 18.675 19.000 -0.123 0.000 0.810 69 A HN 0.421 nan 8.150 nan 0.000 0.445 70 E N -0.746 119.404 120.200 -0.082 0.000 2.072 70 E HA -0.129 4.226 4.350 0.009 0.000 0.190 70 E C 1.836 178.422 176.600 -0.022 0.000 0.982 70 E CA 0.908 57.282 56.400 -0.044 0.000 0.803 70 E CB -0.204 29.482 29.700 -0.024 0.000 0.755 70 E HN 0.440 nan 8.360 nan 0.000 0.453 71 L N 0.705 121.925 121.223 -0.004 0.000 2.083 71 L HA -0.159 4.187 4.340 0.009 0.000 0.209 71 L C 2.157 179.108 176.870 0.135 0.000 1.083 71 L CA 1.264 56.168 54.840 0.107 0.000 0.752 71 L CB -0.168 42.025 42.059 0.224 0.000 0.899 71 L HN -0.023 nan 8.230 nan 0.000 0.433 72 V N -0.694 119.135 119.914 -0.142 0.000 2.427 72 V HA -0.278 3.847 4.120 0.009 0.000 0.248 72 V C 2.561 178.604 176.094 -0.085 0.000 1.051 72 V CA 1.810 63.928 62.300 -0.303 0.000 1.048 72 V CB -0.633 30.864 31.823 -0.543 0.000 0.666 72 V HN 0.464 nan 8.190 nan 0.000 0.456 73 K N 0.358 120.719 120.400 -0.065 0.000 1.978 73 K HA -0.270 4.056 4.320 0.009 0.000 0.214 73 K C 2.278 178.884 176.600 0.010 0.000 1.049 73 K CA 2.146 58.416 56.287 -0.028 0.000 0.939 73 K CB -0.279 32.205 32.500 -0.027 0.000 0.721 73 K HN 0.485 nan 8.250 nan 0.000 0.441 74 E N 0.026 120.241 120.200 0.026 0.000 2.219 74 E HA -0.193 4.163 4.350 0.009 0.000 0.198 74 E C 1.769 178.403 176.600 0.057 0.000 0.998 74 E CA 1.193 57.617 56.400 0.039 0.000 0.818 74 E CB 0.164 29.889 29.700 0.043 0.000 0.741 74 E HN 0.168 nan 8.360 nan 0.000 0.477 75 V N 0.353 120.323 119.914 0.093 0.000 2.407 75 V HA -0.130 3.996 4.120 0.009 0.000 0.245 75 V C 2.225 178.365 176.094 0.078 0.000 1.041 75 V CA 1.495 63.863 62.300 0.114 0.000 1.040 75 V CB -0.252 31.712 31.823 0.235 0.000 0.671 75 V HN 0.385 nan 8.190 nan 0.000 0.455 76 A N -0.405 122.449 122.820 0.056 0.000 2.121 76 A HA -0.189 4.137 4.320 0.009 0.000 0.218 76 A C 2.228 179.827 177.584 0.025 0.000 1.154 76 A CA 1.727 53.783 52.037 0.032 0.000 0.679 76 A CB -0.391 18.613 19.000 0.006 0.000 0.795 76 A HN 0.522 nan 8.150 nan 0.000 0.458 77 K N 0.366 120.782 120.400 0.026 0.000 1.965 77 K HA -0.191 4.135 4.320 0.009 0.000 0.214 77 K C 1.913 178.527 176.600 0.024 0.000 1.046 77 K CA 1.817 58.117 56.287 0.022 0.000 0.944 77 K CB -0.301 32.212 32.500 0.022 0.000 0.726 77 K HN 0.401 nan 8.250 nan 0.000 0.441 78 K N 0.098 120.515 120.400 0.028 0.000 2.044 78 K HA -0.089 4.237 4.320 0.009 0.000 0.210 78 K C 1.276 177.891 176.600 0.025 0.000 1.049 78 K CA 1.478 57.781 56.287 0.026 0.000 0.927 78 K CB -0.304 32.212 32.500 0.027 0.000 0.713 78 K HN 0.272 nan 8.250 nan 0.000 0.443 89 T N 1.328 115.883 114.554 0.001 0.000 2.788 89 T HA -0.010 4.345 4.350 0.009 0.000 0.268 89 T C 2.369 177.065 174.700 -0.006 0.000 1.044 89 T CA 2.125 64.225 62.100 -0.001 0.000 1.139 89 T CB -0.778 68.091 68.868 0.002 0.000 0.867 89 T HN 0.923 nan 8.240 nan 0.000 0.454 90 A N 1.001 123.818 122.820 -0.004 0.000 1.902 90 A HA -0.137 4.189 4.320 0.009 0.000 0.217 90 A C 2.555 180.128 177.584 -0.018 0.000 1.181 90 A CA 2.193 54.226 52.037 -0.007 0.000 0.623 90 A CB -1.297 17.703 19.000 -0.000 0.000 0.818 90 A HN 0.457 nan 8.150 nan 0.000 0.443 91 T N -0.424 114.119 114.554 -0.019 0.000 2.635 91 T HA -0.156 4.200 4.350 0.009 0.000 0.267 91 T C 1.869 176.541 174.700 -0.046 0.000 1.040 91 T CA 1.770 63.850 62.100 -0.033 0.000 1.156 91 T CB -0.475 68.378 68.868 -0.024 0.000 0.863 91 T HN 0.136 nan 8.240 nan 0.000 0.430 92 V N 1.010 120.903 119.914 -0.034 0.000 2.407 92 V HA -0.102 4.024 4.120 0.009 0.000 0.248 92 V C 2.375 178.443 176.094 -0.044 0.000 1.055 92 V CA 1.259 63.535 62.300 -0.039 0.000 1.049 92 V CB -0.515 31.294 31.823 -0.022 0.000 0.662 92 V HN 0.301 nan 8.190 nan 0.000 0.455 93 L N 0.391 121.593 121.223 -0.034 0.000 1.994 93 L HA -0.085 4.261 4.340 0.009 0.000 0.208 93 L C 2.506 179.349 176.870 -0.045 0.000 1.071 93 L CA 2.432 57.253 54.840 -0.031 0.000 0.745 93 L CB -0.958 41.089 42.059 -0.019 0.000 0.892 93 L HN 0.250 nan 8.230 nan 0.000 0.431 94 A N -1.429 121.359 122.820 -0.054 0.000 1.877 94 A HA -0.273 4.053 4.320 0.009 0.000 0.216 94 A C 2.171 179.681 177.584 -0.125 0.000 1.186 94 A CA 1.794 53.784 52.037 -0.078 0.000 0.620 94 A CB -0.648 18.305 19.000 -0.079 0.000 0.822 94 A HN 0.623 nan 8.150 nan 0.000 0.443 95 Q N -0.812 118.908 119.800 -0.132 0.000 2.133 95 Q HA -0.233 4.113 4.340 0.009 0.000 0.208 95 Q C 2.378 178.302 176.000 -0.126 0.000 0.991 95 Q CA 1.689 57.398 55.803 -0.156 0.000 0.867 95 Q CB -0.386 28.276 28.738 -0.126 0.000 0.911 95 Q HN 0.718 nan 8.270 nan 0.000 0.417 96 A N 0.370 123.136 122.820 -0.089 0.000 1.929 96 A HA -0.078 4.248 4.320 0.009 0.000 0.216 96 A C 2.017 179.565 177.584 -0.059 0.000 1.176 96 A CA 0.692 52.688 52.037 -0.068 0.000 0.628 96 A CB -0.416 18.553 19.000 -0.051 0.000 0.816 96 A HN 0.264 nan 8.150 nan 0.000 0.444 97 L N -0.525 120.662 121.223 -0.059 0.000 2.093 97 L HA -0.135 4.211 4.340 0.009 0.000 0.208 97 L C 2.420 179.261 176.870 -0.049 0.000 1.085 97 L CA 0.942 55.757 54.840 -0.043 0.000 0.755 97 L CB -0.345 41.694 42.059 -0.034 0.000 0.904 97 L HN 0.250 nan 8.230 nan 0.000 0.435 98 V N -0.450 119.408 119.914 -0.093 0.000 2.488 98 V HA -0.197 3.929 4.120 0.009 0.000 0.246 98 V C 2.580 178.625 176.094 -0.081 0.000 1.046 98 V CA 1.404 63.638 62.300 -0.110 0.000 1.053 98 V CB -0.629 31.035 31.823 -0.265 0.000 0.679 98 V HN 0.449 nan 8.190 nan 0.000 0.458 99 R N 0.222 120.669 120.500 -0.088 0.000 2.096 99 R HA -0.176 4.170 4.340 0.009 0.000 0.235 99 R C 2.181 178.466 176.300 -0.024 0.000 1.127 99 R CA 1.674 57.737 56.100 -0.062 0.000 0.968 99 R CB -0.044 30.215 30.300 -0.068 0.000 0.861 99 R HN 0.480 nan 8.270 nan 0.000 0.440 100 E N -0.378 119.809 120.200 -0.022 0.000 2.051 100 E HA -0.042 4.314 4.350 0.009 0.000 0.189 100 E C 1.988 178.593 176.600 0.009 0.000 0.979 100 E CA 1.111 57.508 56.400 -0.005 0.000 0.803 100 E CB -0.578 29.117 29.700 -0.009 0.000 0.761 100 E HN 0.549 nan 8.360 nan 0.000 0.451 101 G N 2.280 111.085 108.800 0.009 0.000 2.529 101 G HA2 -0.281 3.685 3.960 0.009 0.000 0.219 101 G HA3 -0.281 3.685 3.960 0.009 0.000 0.219 101 G C 1.764 176.690 174.900 0.042 0.000 1.177 101 G CA 1.125 46.240 45.100 0.025 0.000 0.773 101 G HN 0.167 nan 8.290 nan 0.000 0.573 102 L N -0.280 120.974 121.223 0.052 0.000 2.012 102 L HA -0.135 4.210 4.340 0.009 0.000 0.210 102 L C 3.217 180.136 176.870 0.081 0.000 1.073 102 L CA 1.604 56.500 54.840 0.092 0.000 0.748 102 L CB -0.483 41.649 42.059 0.121 0.000 0.891 102 L HN 0.187 nan 8.230 nan 0.000 0.431 103 R N -0.123 120.412 120.500 0.057 0.000 2.091 103 R HA -0.146 4.199 4.340 0.009 0.000 0.238 103 R C 2.153 178.472 176.300 0.031 0.000 1.136 103 R CA 1.484 57.609 56.100 0.043 0.000 0.959 103 R CB -0.452 29.864 30.300 0.027 0.000 0.856 103 R HN 0.488 nan 8.270 nan 0.000 0.437 104 N N 0.226 118.943 118.700 0.029 0.000 2.135 104 N HA -0.101 4.645 4.740 0.009 0.000 0.186 104 N C 1.957 177.483 175.510 0.026 0.000 1.027 104 N CA 1.271 54.335 53.050 0.023 0.000 0.849 104 N CB -0.167 38.332 38.487 0.019 0.000 1.002 104 N HN 0.010 nan 8.380 nan 0.000 0.425 105 V N 2.110 122.045 119.914 0.036 0.000 2.392 105 V HA -0.223 3.903 4.120 0.009 0.000 0.249 105 V C 2.496 178.608 176.094 0.030 0.000 1.059 105 V CA 1.866 64.189 62.300 0.037 0.000 1.051 105 V CB -0.976 30.880 31.823 0.054 0.000 0.658 105 V HN 0.290 nan 8.190 nan 0.000 0.455 106 A N -0.126 122.713 122.820 0.032 0.000 1.969 106 A HA 0.034 4.360 4.320 0.009 0.000 0.218 106 A C 2.217 179.805 177.584 0.006 0.000 1.169 106 A CA 1.650 53.696 52.037 0.014 0.000 0.635 106 A CB -0.510 18.498 19.000 0.014 0.000 0.810 106 A HN 0.606 nan 8.150 nan 0.000 0.445 107 A N -1.555 121.272 122.820 0.011 0.000 2.238 107 A HA 0.436 4.762 4.320 0.009 0.000 0.208 107 A C 1.422 179.010 177.584 0.007 0.000 1.177 107 A CA 0.996 53.038 52.037 0.007 0.000 0.804 107 A CB -0.883 18.122 19.000 0.008 0.000 0.823 107 A HN 1.896 nan 8.150 nan 0.000 0.482 108 G N -1.699 107.106 108.800 0.009 0.000 2.392 108 G HA2 0.281 4.246 3.960 0.009 0.000 0.215 108 G HA3 0.281 4.246 3.960 0.009 0.000 0.215 108 G C -0.051 174.855 174.900 0.010 0.000 1.097 108 G CA 0.035 45.140 45.100 0.008 0.000 0.840 108 G HN 1.529 nan 8.290 nan 0.000 0.492 109 A N 0.132 122.961 122.820 0.014 0.000 2.342 109 A HA 0.767 5.092 4.320 0.009 0.000 0.323 109 A C 0.235 177.829 177.584 0.017 0.000 1.125 109 A CA -0.631 51.415 52.037 0.014 0.000 0.785 109 A CB 1.014 20.023 19.000 0.016 0.000 1.221 109 A HN 0.510 nan 8.150 nan 0.000 0.463 110 N N 2.551 121.259 118.700 0.015 0.000 2.452 110 N HA 0.113 4.859 4.740 0.009 0.000 0.266 110 N C -1.749 173.773 175.510 0.020 0.000 1.209 110 N CA -1.481 51.578 53.050 0.016 0.000 0.929 110 N CB 1.120 39.614 38.487 0.012 0.000 1.063 110 N HN 0.196 nan 8.380 nan 0.000 0.472 111 P HA -0.188 nan 4.420 nan 0.000 0.214 111 P C 1.670 178.985 177.300 0.026 0.000 1.169 111 P CA 0.884 64.002 63.100 0.030 0.000 0.908 111 P CB 0.216 31.936 31.700 0.034 0.000 0.791 112 L N -0.481 120.754 121.223 0.021 0.000 1.990 112 L HA -0.125 4.221 4.340 0.009 0.000 0.213 112 L C 2.390 179.269 176.870 0.016 0.000 1.072 112 L CA 2.584 57.434 54.840 0.017 0.000 0.755 112 L CB -1.636 40.431 42.059 0.013 0.000 0.889 112 L HN -0.018 nan 8.230 nan 0.000 0.432 113 G N -0.904 107.905 108.800 0.014 0.000 2.440 113 G HA2 -0.295 3.670 3.960 0.009 0.000 0.218 113 G HA3 -0.295 3.670 3.960 0.009 0.000 0.218 113 G C 1.590 176.498 174.900 0.013 0.000 1.154 113 G CA 0.976 46.084 45.100 0.012 0.000 0.767 113 G HN 0.380 nan 8.290 nan 0.000 0.552 114 L N 0.546 121.779 121.223 0.016 0.000 2.083 114 L HA 0.098 4.444 4.340 0.009 0.000 0.209 114 L C 2.646 179.527 176.870 0.019 0.000 1.083 114 L CA 2.169 57.020 54.840 0.018 0.000 0.752 114 L CB -0.477 41.595 42.059 0.022 0.000 0.899 114 L HN 0.235 nan 8.230 nan 0.000 0.433 115 K N -0.092 120.321 120.400 0.021 0.000 1.965 115 K HA -0.242 4.084 4.320 0.009 0.000 0.214 115 K C 2.249 178.860 176.600 0.018 0.000 1.046 115 K CA 1.948 58.249 56.287 0.023 0.000 0.944 115 K CB -0.257 32.259 32.500 0.025 0.000 0.726 115 K HN 0.415 nan 8.250 nan 0.000 0.441 116 R N -0.242 120.267 120.500 0.015 0.000 2.154 116 R HA -0.134 4.211 4.340 0.009 0.000 0.248 116 R C 2.168 178.475 176.300 0.011 0.000 1.155 116 R CA 1.725 57.832 56.100 0.012 0.000 0.979 116 R CB -1.105 29.201 30.300 0.010 0.000 0.869 116 R HN 0.331 nan 8.270 nan 0.000 0.452 117 G N 1.521 110.327 108.800 0.011 0.000 2.422 117 G HA2 -0.146 3.820 3.960 0.009 0.000 0.218 117 G HA3 -0.146 3.820 3.960 0.009 0.000 0.218 117 G C 1.507 176.413 174.900 0.009 0.000 1.140 117 G CA 0.756 45.861 45.100 0.009 0.000 0.775 117 G HN 0.266 nan 8.290 nan 0.000 0.545 118 I N 0.484 121.060 120.570 0.011 0.000 2.202 118 I HA -0.131 4.045 4.170 0.009 0.000 0.242 118 I C 2.764 178.887 176.117 0.010 0.000 1.091 118 I CA 1.186 62.492 61.300 0.010 0.000 1.368 118 I CB -0.246 37.762 38.000 0.014 0.000 1.058 118 I HN 0.271 nan 8.210 nan 0.000 0.410 119 E N 1.159 121.366 120.200 0.011 0.000 2.017 119 E HA -0.248 4.108 4.350 0.009 0.000 0.193 119 E C 2.145 178.750 176.600 0.008 0.000 0.997 119 E CA 1.288 57.694 56.400 0.010 0.000 0.804 119 E CB -0.153 29.554 29.700 0.011 0.000 0.757 119 E HN 0.396 nan 8.360 nan 0.000 0.448 120 K N 0.630 121.035 120.400 0.008 0.000 2.127 120 K HA -0.217 4.109 4.320 0.009 0.000 0.208 120 K C 2.223 178.826 176.600 0.005 0.000 1.047 120 K CA 1.265 57.556 56.287 0.006 0.000 0.927 120 K CB -0.262 32.241 32.500 0.006 0.000 0.716 120 K HN 0.106 nan 8.250 nan 0.000 0.450 121 A N 1.052 123.875 122.820 0.006 0.000 1.877 121 A HA -0.130 4.196 4.320 0.009 0.000 0.216 121 A C 2.433 180.020 177.584 0.005 0.000 1.186 121 A CA 1.552 53.592 52.037 0.005 0.000 0.620 121 A CB -0.700 18.303 19.000 0.005 0.000 0.822 121 A HN 0.075 nan 8.150 nan 0.000 0.443 122 V N 0.295 120.212 119.914 0.005 0.000 2.261 122 V HA -0.292 3.834 4.120 0.009 0.000 0.246 122 V C 2.399 178.497 176.094 0.005 0.000 1.047 122 V CA 2.321 64.624 62.300 0.005 0.000 1.015 122 V CB -1.028 30.799 31.823 0.007 0.000 0.642 122 V HN 0.639 nan 8.190 nan 0.000 0.446 123 E N 0.080 120.284 120.200 0.006 0.000 2.130 123 E HA -0.318 4.038 4.350 0.009 0.000 0.196 123 E C 2.198 178.801 176.600 0.004 0.000 0.998 123 E CA 1.567 57.970 56.400 0.005 0.000 0.806 123 E CB -0.180 29.523 29.700 0.005 0.000 0.738 123 E HN 0.447 nan 8.360 nan 0.000 0.459 124 K N 0.933 121.336 120.400 0.004 0.000 2.097 124 K HA -0.105 4.220 4.320 0.009 0.000 0.205 124 K C 1.809 178.411 176.600 0.003 0.000 1.050 124 K CA 0.985 57.275 56.287 0.003 0.000 0.938 124 K CB -0.086 32.416 32.500 0.003 0.000 0.718 124 K HN -0.032 nan 8.250 nan 0.000 0.442 125 V N 0.365 120.281 119.914 0.004 0.000 2.591 125 V HA -0.125 4.001 4.120 0.009 0.000 0.249 125 V C 1.905 178.002 176.094 0.004 0.000 1.053 125 V CA 1.950 64.252 62.300 0.004 0.000 1.068 125 V CB -0.503 31.322 31.823 0.004 0.000 0.689 125 V HN 0.374 nan 8.190 nan 0.000 0.462 126 T N 1.048 115.605 114.554 0.004 0.000 2.788 126 T HA -0.222 4.134 4.350 0.009 0.000 0.268 126 T C 1.801 176.503 174.700 0.004 0.000 1.044 126 T CA 1.878 63.981 62.100 0.005 0.000 1.139 126 T CB -0.211 68.660 68.868 0.005 0.000 0.867 126 T HN 0.859 nan 8.240 nan 0.000 0.454 127 E N 0.878 121.080 120.200 0.004 0.000 2.152 127 E HA -0.098 4.257 4.350 0.009 0.000 0.192 127 E C 1.910 178.512 176.600 0.003 0.000 0.983 127 E CA 1.272 57.675 56.400 0.004 0.000 0.818 127 E CB -0.559 29.143 29.700 0.003 0.000 0.758 127 E HN 0.292 nan 8.360 nan 0.000 0.467 128 T N 1.678 116.234 114.554 0.003 0.000 2.777 128 T HA -0.052 4.304 4.350 0.009 0.000 0.266 128 T C 1.888 176.590 174.700 0.003 0.000 1.040 128 T CA 1.226 63.328 62.100 0.003 0.000 1.141 128 T CB -0.180 68.689 68.868 0.002 0.000 0.868 128 T HN 0.110 nan 8.240 nan 0.000 0.444 129 L N 0.422 121.647 121.223 0.004 0.000 1.994 129 L HA -0.027 4.319 4.340 0.009 0.000 0.208 129 L C 2.546 179.419 176.870 0.005 0.000 1.071 129 L CA 1.193 56.036 54.840 0.005 0.000 0.745 129 L CB -0.711 41.351 42.059 0.006 0.000 0.892 129 L HN 0.200 nan 8.230 nan 0.000 0.431 130 L N 0.321 121.547 121.223 0.005 0.000 2.081 130 L HA -0.265 4.081 4.340 0.009 0.000 0.212 130 L C 2.787 179.659 176.870 0.004 0.000 1.080 130 L CA 1.862 56.705 54.840 0.004 0.000 0.754 130 L CB -0.512 41.549 42.059 0.004 0.000 0.893 130 L HN 0.398 nan 8.230 nan 0.000 0.433 131 K N 0.116 120.518 120.400 0.004 0.000 2.097 131 K HA -0.069 4.257 4.320 0.009 0.000 0.205 131 K C 1.422 178.024 176.600 0.003 0.000 1.050 131 K CA 1.424 57.713 56.287 0.003 0.000 0.938 131 K CB -0.490 32.011 32.500 0.002 0.000 0.718 131 K HN 0.170 nan 8.250 nan 0.000 0.442 132 G N 0.777 109.579 108.800 0.003 0.000 3.709 132 G HA2 0.443 4.409 3.960 0.009 0.000 0.272 132 G HA3 0.443 4.409 3.960 0.009 0.000 0.272 132 G C -0.622 174.281 174.900 0.006 0.000 1.259 132 G CA -0.239 44.863 45.100 0.004 0.000 1.512 132 G HN 0.443 nan 8.290 nan 0.000 0.625 133 A N 1.302 124.125 122.820 0.006 0.000 2.258 133 A HA 0.565 4.891 4.320 0.009 0.000 0.316 133 A C 0.407 177.996 177.584 0.007 0.000 1.279 133 A CA -0.790 51.251 52.037 0.007 0.000 0.876 133 A CB 0.729 19.733 19.000 0.006 0.000 1.170 133 A HN 0.173 nan 8.150 nan 0.000 0.520 134 K N 3.135 123.540 120.400 0.009 0.000 2.250 134 K HA 0.043 4.368 4.320 0.009 0.000 0.277 134 K C -0.315 176.289 176.600 0.008 0.000 1.091 134 K CA 0.325 56.618 56.287 0.009 0.000 1.046 134 K CB -0.126 32.381 32.500 0.012 0.000 0.982 134 K HN 0.711 nan 8.250 nan 0.000 0.429 135 E N 0.846 121.050 120.200 0.006 0.000 2.765 135 E HA -0.071 4.285 4.350 0.009 0.000 0.256 135 E C -0.283 176.320 176.600 0.005 0.000 0.935 135 E CA 0.312 56.715 56.400 0.005 0.000 0.954 135 E CB 0.179 29.881 29.700 0.005 0.000 0.908 135 E HN 0.145 nan 8.360 nan 0.000 0.500 136 V N 3.493 123.410 119.914 0.004 0.000 2.311 136 V HA 0.187 4.313 4.120 0.009 0.000 0.275 136 V C 0.831 176.926 176.094 0.003 0.000 1.022 136 V CA -0.204 62.099 62.300 0.004 0.000 0.830 136 V CB 0.984 32.809 31.823 0.003 0.000 1.012 136 V HN 0.834 nan 8.190 nan 0.000 0.452 137 E N 2.577 122.779 120.200 0.002 0.000 2.717 137 E HA 0.074 4.429 4.350 0.009 0.000 0.204 137 E C 0.980 177.581 176.600 0.001 0.000 0.911 137 E CA 0.456 56.857 56.400 0.002 0.000 1.370 137 E CB 0.770 30.471 29.700 0.002 0.000 1.315 137 E HN 0.783 nan 8.360 nan 0.000 0.643 138 T N 0.140 114.695 114.554 0.002 0.000 2.860 138 T HA 0.110 4.466 4.350 0.009 0.000 0.299 138 T C 0.780 175.481 174.700 0.001 0.000 1.045 138 T CA -0.254 61.846 62.100 0.001 0.000 1.071 138 T CB 1.280 70.149 68.868 0.002 0.000 0.985 138 T HN -0.041 nan 8.240 nan 0.000 0.537 139 K N 1.452 121.852 120.400 0.000 0.000 2.020 139 K HA -0.145 4.181 4.320 0.009 0.000 0.212 139 K C 2.200 178.800 176.600 0.001 0.000 1.050 139 K CA 1.748 58.035 56.287 0.000 0.000 0.929 139 K CB -0.545 31.954 32.500 -0.000 0.000 0.714 139 K HN 0.677 nan 8.250 nan 0.000 0.443 140 E N 1.099 121.300 120.200 0.001 0.000 2.114 140 E HA -0.233 4.123 4.350 0.009 0.000 0.199 140 E C 2.124 178.725 176.600 0.002 0.000 1.008 140 E CA 1.590 57.991 56.400 0.002 0.000 0.810 140 E CB -0.186 29.515 29.700 0.002 0.000 0.739 140 E HN 0.380 nan 8.360 nan 0.000 0.456 141 Q N -0.097 119.704 119.800 0.002 0.000 1.965 141 Q HA -0.100 4.245 4.340 0.009 0.000 0.200 141 Q C 2.342 178.343 176.000 0.002 0.000 0.981 141 Q CA 1.383 57.188 55.803 0.003 0.000 0.834 141 Q CB -0.247 28.492 28.738 0.003 0.000 0.900 141 Q HN 0.282 nan 8.270 nan 0.000 0.426 142 I N 0.951 121.521 120.570 0.001 0.000 2.074 142 I HA -0.391 3.784 4.170 0.009 0.000 0.238 142 I C 2.484 178.601 176.117 0.000 0.000 1.037 142 I CA 1.341 62.641 61.300 0.000 0.000 1.301 142 I CB -0.772 37.228 38.000 -0.001 0.000 1.016 142 I HN 0.257 nan 8.210 nan 0.000 0.400 143 A N 0.527 123.348 122.820 0.000 0.000 2.009 143 A HA -0.275 4.051 4.320 0.009 0.000 0.222 143 A C 2.424 180.009 177.584 0.001 0.000 1.175 143 A CA 2.504 54.542 52.037 0.000 0.000 0.651 143 A CB -0.849 18.151 19.000 0.001 0.000 0.815 143 A HN 0.585 nan 8.150 nan 0.000 0.459 144 A N -1.946 120.875 122.820 0.001 0.000 1.975 144 A HA 0.095 4.420 4.320 0.009 0.000 0.215 144 A C 2.241 179.826 177.584 0.002 0.000 1.170 144 A CA 1.823 53.861 52.037 0.002 0.000 0.656 144 A CB -0.889 18.112 19.000 0.002 0.000 0.821 144 A HN 0.413 nan 8.150 nan 0.000 0.449 145 T N 0.576 115.131 114.554 0.002 0.000 2.674 145 T HA -0.078 4.277 4.350 0.009 0.000 0.265 145 T C 2.265 176.966 174.700 0.002 0.000 1.039 145 T CA 1.787 63.888 62.100 0.002 0.000 1.150 145 T CB -0.473 68.397 68.868 0.002 0.000 0.864 145 T HN 0.562 nan 8.240 nan 0.000 0.427 146 A N 1.452 124.272 122.820 0.001 0.000 1.933 146 A HA 0.129 4.455 4.320 0.009 0.000 0.218 146 A C 2.645 180.231 177.584 0.002 0.000 1.175 146 A CA 1.872 53.910 52.037 0.001 0.000 0.628 146 A CB -1.131 17.869 19.000 -0.000 0.000 0.814 146 A HN 0.515 nan 8.150 nan 0.000 0.444 147 A N -0.101 122.720 122.820 0.002 0.000 1.986 147 A HA -0.145 4.181 4.320 0.009 0.000 0.220 147 A C 2.078 179.663 177.584 0.002 0.000 1.171 147 A CA 1.680 53.718 52.037 0.002 0.000 0.640 147 A CB -0.601 18.399 19.000 0.001 0.000 0.811 147 A HN 0.549 nan 8.150 nan 0.000 0.451 148 I N -0.650 119.921 120.570 0.001 0.000 2.333 148 I HA -0.142 4.034 4.170 0.009 0.000 0.246 148 I C 2.210 178.328 176.117 0.003 0.000 1.106 148 I CA 1.294 62.594 61.300 0.001 0.000 1.411 148 I CB -0.202 37.799 38.000 0.001 0.000 1.082 148 I HN 0.178 nan 8.210 nan 0.000 0.420 149 S N 0.537 116.239 115.700 0.004 0.000 2.555 149 S HA 0.086 4.561 4.470 0.009 0.000 0.230 149 S C 1.579 176.185 174.600 0.009 0.000 0.978 149 S CA 0.942 59.146 58.200 0.006 0.000 0.934 149 S CB 0.068 63.271 63.200 0.006 0.000 0.766 149 S HN 0.534 nan 8.310 nan 0.000 0.533 150 A N 0.064 122.889 122.820 0.008 0.000 2.508 150 A HA 0.598 4.923 4.320 0.009 0.000 0.250 150 A C 1.310 178.899 177.584 0.009 0.000 1.208 150 A CA 0.288 52.332 52.037 0.011 0.000 0.960 150 A CB -0.317 18.689 19.000 0.010 0.000 1.099 150 A HN 0.644 nan 8.150 nan 0.000 0.542 151 G N 0.373 109.176 108.800 0.005 0.000 2.390 151 G HA2 -0.206 3.760 3.960 0.009 0.000 0.299 151 G HA3 -0.206 3.760 3.960 0.009 0.000 0.299 151 G C -0.240 174.662 174.900 0.003 0.000 1.002 151 G CA 0.868 45.969 45.100 0.002 0.000 0.979 151 G HN 0.742 nan 8.290 nan 0.000 0.513 152 D N -1.693 118.710 120.400 0.004 0.000 2.836 152 D HA 0.318 4.964 4.640 0.009 0.000 0.215 152 D C 0.805 177.108 176.300 0.004 0.000 1.255 152 D CA -0.620 53.383 54.000 0.004 0.000 0.822 152 D CB 1.288 42.092 40.800 0.007 0.000 1.656 152 D HN -0.023 nan 8.370 nan 0.000 0.511 153 Q N 1.460 121.262 119.800 0.003 0.000 2.033 153 Q HA -0.019 4.327 4.340 0.009 0.000 0.196 153 Q C 1.775 177.777 176.000 0.004 0.000 0.970 153 Q CA 1.951 57.756 55.803 0.003 0.000 0.828 153 Q CB -0.333 28.407 28.738 0.002 0.000 0.895 153 Q HN 0.414 nan 8.270 nan 0.000 0.440 154 S N -0.425 115.278 115.700 0.005 0.000 2.365 154 S HA -0.149 4.327 4.470 0.009 0.000 0.225 154 S C 1.872 176.476 174.600 0.006 0.000 1.039 154 S CA 1.501 59.705 58.200 0.007 0.000 1.033 154 S CB -0.454 62.752 63.200 0.009 0.000 0.887 154 S HN 0.482 nan 8.310 nan 0.000 0.447 155 I N 1.016 121.590 120.570 0.007 0.000 2.264 155 I HA -0.142 4.034 4.170 0.009 0.000 0.248 155 I C 2.624 178.743 176.117 0.004 0.000 1.111 155 I CA 1.227 62.531 61.300 0.007 0.000 1.382 155 I CB -0.894 37.111 38.000 0.009 0.000 1.060 155 I HN 0.451 nan 8.210 nan 0.000 0.418 156 G N 0.492 109.294 108.800 0.003 0.000 2.404 156 G HA2 -0.208 3.758 3.960 0.009 0.000 0.215 156 G HA3 -0.208 3.758 3.960 0.009 0.000 0.215 156 G C 1.274 176.174 174.900 0.001 0.000 1.174 156 G CA 0.725 45.826 45.100 0.002 0.000 0.780 156 G HN 0.289 nan 8.290 nan 0.000 0.537 157 D N 0.373 120.774 120.400 0.002 0.000 2.104 157 D HA -0.121 4.525 4.640 0.009 0.000 0.194 157 D C 2.402 178.703 176.300 0.001 0.000 0.994 157 D CA 0.779 54.780 54.000 0.001 0.000 0.830 157 D CB -0.301 40.500 40.800 0.002 0.000 0.959 157 D HN 0.215 nan 8.370 nan 0.000 0.452 158 L N 0.970 122.194 121.223 0.001 0.000 2.083 158 L HA -0.082 4.264 4.340 0.009 0.000 0.209 158 L C 2.254 179.122 176.870 -0.003 0.000 1.083 158 L CA 1.136 55.975 54.840 -0.000 0.000 0.752 158 L CB -0.401 41.658 42.059 0.001 0.000 0.899 158 L HN -0.015 nan 8.230 nan 0.000 0.433 159 I N -0.775 119.794 120.570 -0.003 0.000 2.179 159 I HA -0.296 3.880 4.170 0.009 0.000 0.242 159 I C 2.556 178.670 176.117 -0.005 0.000 1.088 159 I CA 1.143 62.440 61.300 -0.005 0.000 1.357 159 I CB -0.595 37.402 38.000 -0.005 0.000 1.051 159 I HN 0.323 nan 8.210 nan 0.000 0.409 160 A N 0.356 123.174 122.820 -0.003 0.000 1.948 160 A HA -0.295 4.030 4.320 0.009 0.000 0.220 160 A C 2.178 179.760 177.584 -0.003 0.000 1.177 160 A CA 2.234 54.270 52.037 -0.003 0.000 0.636 160 A CB -0.561 18.438 19.000 -0.001 0.000 0.815 160 A HN 0.443 nan 8.150 nan 0.000 0.449 161 E N 0.136 120.334 120.200 -0.003 0.000 2.028 161 E HA -0.038 4.317 4.350 0.009 0.000 0.191 161 E C 2.075 178.673 176.600 -0.005 0.000 0.988 161 E CA 1.640 58.038 56.400 -0.003 0.000 0.799 161 E CB -0.528 29.171 29.700 -0.003 0.000 0.755 161 E HN 0.453 nan 8.360 nan 0.000 0.447 162 A N 0.298 123.114 122.820 -0.006 0.000 1.978 162 A HA -0.176 4.150 4.320 0.009 0.000 0.220 162 A C 2.274 179.853 177.584 -0.008 0.000 1.170 162 A CA 1.815 53.847 52.037 -0.008 0.000 0.636 162 A CB -0.539 18.455 19.000 -0.010 0.000 0.810 162 A HN 0.371 nan 8.150 nan 0.000 0.448 163 M N -1.389 118.207 119.600 -0.007 0.000 2.419 163 M HA -0.085 4.401 4.480 0.009 0.000 0.264 163 M C 1.709 178.005 176.300 -0.006 0.000 1.082 163 M CA 1.641 56.937 55.300 -0.007 0.000 1.119 163 M CB -0.283 32.313 32.600 -0.006 0.000 1.398 163 M HN 0.555 nan 8.290 nan 0.000 0.453 164 D N 0.310 120.707 120.400 -0.005 0.000 2.162 164 D HA -0.108 4.538 4.640 0.009 0.000 0.203 164 D C 2.012 178.309 176.300 -0.004 0.000 0.967 164 D CA 1.028 55.025 54.000 -0.004 0.000 0.840 164 D CB 0.422 41.221 40.800 -0.003 0.000 0.972 164 D HN -0.025 nan 8.370 nan 0.000 0.482 165 K N -0.145 120.252 120.400 -0.005 0.000 2.128 165 K HA 0.095 4.420 4.320 0.009 0.000 0.202 165 K C 1.948 178.544 176.600 -0.006 0.000 1.050 165 K CA 0.521 56.804 56.287 -0.006 0.000 0.966 165 K CB -0.255 32.242 32.500 -0.006 0.000 0.759 165 K HN 0.132 nan 8.250 nan 0.000 0.454 166 V N 0.289 120.199 119.914 -0.007 0.000 3.541 166 V HA 0.160 4.286 4.120 0.009 0.000 0.267 166 V C 0.762 176.852 176.094 -0.007 0.000 1.213 166 V CA 0.436 62.731 62.300 -0.008 0.000 1.149 166 V CB -0.872 30.944 31.823 -0.010 0.000 0.822 166 V HN 0.500 nan 8.190 nan 0.000 0.462 167 G N 1.200 109.996 108.800 -0.007 0.000 2.777 167 G HA2 -0.206 3.760 3.960 0.009 0.000 0.686 167 G HA3 -0.206 3.760 3.960 0.009 0.000 0.686 167 G C 0.178 175.074 174.900 -0.006 0.000 1.177 167 G CA -0.083 45.014 45.100 -0.006 0.000 0.775 167 G HN 0.102 nan 8.290 nan 0.000 0.613 168 N N 0.815 119.512 118.700 -0.005 0.000 2.069 168 N HA -0.166 4.580 4.740 0.009 0.000 0.196 168 N C 1.648 177.154 175.510 -0.007 0.000 1.024 168 N CA 2.101 55.148 53.050 -0.005 0.000 0.869 168 N CB -0.007 38.477 38.487 -0.004 0.000 1.035 168 N HN 0.779 nan 8.380 nan 0.000 0.434 169 E N 0.047 120.243 120.200 -0.006 0.000 2.403 169 E HA 0.211 4.567 4.350 0.009 0.000 0.188 169 E C 0.542 177.137 176.600 -0.008 0.000 1.056 169 E CA -0.289 56.107 56.400 -0.006 0.000 0.892 169 E CB 0.163 29.860 29.700 -0.004 0.000 1.049 169 E HN 0.257 nan 8.360 nan 0.000 0.465 170 G N 0.035 108.829 108.800 -0.009 0.000 2.476 170 G HA2 0.272 4.238 3.960 0.009 0.000 0.269 170 G HA3 0.272 4.238 3.960 0.009 0.000 0.269 170 G C 0.016 174.907 174.900 -0.015 0.000 1.195 170 G CA -0.664 44.431 45.100 -0.010 0.000 0.843 170 G HN 0.029 nan 8.290 nan 0.000 0.545 171 V N 1.474 121.378 119.914 -0.017 0.000 2.617 171 V HA 0.090 4.215 4.120 0.009 0.000 0.304 171 V C 0.394 176.472 176.094 -0.026 0.000 1.040 171 V CA 0.900 63.185 62.300 -0.025 0.000 1.149 171 V CB -0.070 31.736 31.823 -0.028 0.000 0.914 171 V HN 0.477 nan 8.190 nan 0.000 0.487 172 I N 4.300 124.851 120.570 -0.031 0.000 2.563 172 I HA 0.248 4.423 4.170 0.009 0.000 0.281 172 I C -0.029 176.066 176.117 -0.038 0.000 1.110 172 I CA -0.134 61.148 61.300 -0.030 0.000 1.073 172 I CB 1.758 39.743 38.000 -0.025 0.000 1.215 172 I HN 0.537 nan 8.210 nan 0.000 0.460 173 T N 4.299 118.830 114.554 -0.039 0.000 2.927 173 T HA 0.597 4.953 4.350 0.009 0.000 0.281 173 T C -0.115 174.562 174.700 -0.039 0.000 0.998 173 T CA -0.557 61.516 62.100 -0.045 0.000 1.019 173 T CB 2.448 71.288 68.868 -0.047 0.000 1.061 173 T HN 0.154 nan 8.240 nan 0.000 0.518 174 V N 1.735 121.624 119.914 -0.042 0.000 2.444 174 V HA 0.444 4.570 4.120 0.009 0.000 0.294 174 V C -0.040 176.037 176.094 -0.028 0.000 1.022 174 V CA -0.695 61.585 62.300 -0.033 0.000 0.850 174 V CB 1.504 33.305 31.823 -0.036 0.000 0.992 174 V HN 0.824 nan 8.190 nan 0.000 0.426 175 E N 2.792 122.979 120.200 -0.021 0.000 2.207 175 E HA 0.430 4.786 4.350 0.009 0.000 0.270 175 E C -0.596 175.997 176.600 -0.012 0.000 0.927 175 E CA -0.724 55.666 56.400 -0.018 0.000 0.799 175 E CB 1.813 31.500 29.700 -0.021 0.000 1.172 175 E HN 0.715 nan 8.360 nan 0.000 0.404 176 E N 0.891 121.086 120.200 -0.009 0.000 2.384 176 E HA 0.084 4.440 4.350 0.009 0.000 0.266 176 E C -0.927 175.663 176.600 -0.018 0.000 1.012 176 E CA 0.188 56.584 56.400 -0.007 0.000 0.901 176 E CB 1.294 30.993 29.700 -0.002 0.000 0.967 176 E HN 0.147 nan 8.360 nan 0.000 0.435 177 S N 2.475 118.161 115.700 -0.022 0.000 2.482 177 S HA 0.206 4.681 4.470 0.009 0.000 0.303 177 S C 0.266 174.827 174.600 -0.065 0.000 1.091 177 S CA -0.818 57.356 58.200 -0.043 0.000 1.057 177 S CB 0.717 63.891 63.200 -0.043 0.000 1.031 177 S HN 0.435 nan 8.310 nan 0.000 0.485 178 N N 2.785 121.433 118.700 -0.088 0.000 2.413 178 N HA 0.090 4.836 4.740 0.009 0.000 0.207 178 N C -0.682 174.685 175.510 -0.239 0.000 1.206 178 N CA 0.361 53.338 53.050 -0.123 0.000 0.832 178 N CB 0.356 38.784 38.487 -0.099 0.000 1.037 178 N HN 0.432 nan 8.380 nan 0.000 0.467 179 T N 1.160 115.563 114.554 -0.253 0.000 2.949 179 T HA 0.249 4.605 4.350 0.009 0.000 0.300 179 T C -0.383 174.138 174.700 -0.298 0.000 0.988 179 T CA -0.652 61.192 62.100 -0.428 0.000 0.993 179 T CB 0.423 69.132 68.868 -0.265 0.000 0.984 179 T HN 0.005 nan 8.240 nan 0.000 0.442 180 F N 2.279 122.230 119.950 0.001 0.000 2.516 180 F HA 0.602 5.128 4.527 -0.002 0.000 0.351 180 F C 0.942 176.742 175.800 0.001 0.000 1.208 180 F CA -0.702 57.298 58.000 0.001 0.000 1.073 180 F CB -0.872 38.128 39.000 0.001 0.000 1.203 180 F HN 0.737 nan 8.300 nan 0.000 0.602 181 G N 2.191 111.081 108.800 0.151 0.000 2.586 181 G HA2 0.484 4.450 3.960 0.009 0.000 0.105 181 G HA3 0.484 4.450 3.960 0.009 0.000 0.105 181 G C -1.969 172.964 174.900 0.054 0.000 1.129 181 G CA -0.635 44.526 45.100 0.103 0.000 1.127 181 G HN 0.597 nan 8.290 nan 0.000 0.532 182 L N 0.437 121.679 121.223 0.032 0.000 2.969 182 L HA 0.556 4.901 4.340 0.009 0.000 0.250 182 L C -1.249 175.626 176.870 0.009 0.000 0.953 182 L CA -0.173 54.678 54.840 0.018 0.000 1.066 182 L CB 1.478 43.550 42.059 0.021 0.000 1.497 182 L HN 0.634 nan 8.230 nan 0.000 0.512 183 Q N 2.680 122.480 119.800 -0.000 0.000 2.297 183 Q HA 0.831 5.177 4.340 0.009 0.000 0.269 183 Q C -1.335 174.660 176.000 -0.007 0.000 1.051 183 Q CA -0.548 55.252 55.803 -0.005 0.000 0.869 183 Q CB 2.674 31.404 28.738 -0.012 0.000 1.346 183 Q HN 0.501 nan 8.270 nan 0.000 0.457 184 L N 1.025 122.243 121.223 -0.007 0.000 2.388 184 L HA 0.400 4.746 4.340 0.009 0.000 0.267 184 L C -1.282 175.582 176.870 -0.011 0.000 0.995 184 L CA -0.059 54.776 54.840 -0.009 0.000 0.864 184 L CB 1.261 43.316 42.059 -0.007 0.000 1.216 184 L HN 0.584 nan 8.230 nan 0.000 0.430 185 E N 5.654 125.845 120.200 -0.013 0.000 2.249 185 E HA 0.520 4.875 4.350 0.009 0.000 0.280 185 E C -1.136 175.455 176.600 -0.014 0.000 1.016 185 E CA -0.535 55.856 56.400 -0.014 0.000 0.830 185 E CB 1.745 31.435 29.700 -0.017 0.000 1.081 185 E HN 0.507 nan 8.360 nan 0.000 0.395 186 L N 2.836 124.051 121.223 -0.013 0.000 2.372 186 L HA 0.417 4.763 4.340 0.009 0.000 0.273 186 L C 0.004 176.867 176.870 -0.013 0.000 0.989 186 L CA -0.504 54.329 54.840 -0.012 0.000 0.841 186 L CB 1.516 43.569 42.059 -0.010 0.000 1.225 186 L HN 0.698 nan 8.230 nan 0.000 0.414 187 T N -1.259 113.287 114.554 -0.014 0.000 2.669 187 T HA 0.606 4.962 4.350 0.009 0.000 0.283 187 T C -0.325 174.367 174.700 -0.013 0.000 1.019 187 T CA -0.952 61.140 62.100 -0.014 0.000 1.039 187 T CB 1.602 70.461 68.868 -0.016 0.000 1.374 187 T HN 0.371 nan 8.240 nan 0.000 0.523 188 E N -0.265 119.928 120.200 -0.012 0.000 2.369 188 E HA 0.649 5.004 4.350 0.009 0.000 0.255 188 E C 0.632 177.226 176.600 -0.010 0.000 1.172 188 E CA -0.027 56.367 56.400 -0.010 0.000 0.932 188 E CB 0.036 29.730 29.700 -0.010 0.000 1.040 188 E HN 1.259 nan 8.360 nan 0.000 0.454 189 G N -0.669 108.128 108.800 -0.004 0.000 2.340 189 G HA2 0.343 4.309 3.960 0.009 0.000 0.527 189 G HA3 0.343 4.309 3.960 0.009 0.000 0.527 189 G C -1.082 173.823 174.900 0.008 0.000 1.381 189 G CA -0.471 44.629 45.100 -0.000 0.000 1.001 189 G HN 0.699 nan 8.290 nan 0.000 0.626 190 M N -1.254 118.357 119.600 0.019 0.000 2.644 190 M HA 0.907 5.392 4.480 0.009 0.000 0.273 190 M C -0.896 175.416 176.300 0.020 0.000 1.253 190 M CA -1.204 54.117 55.300 0.036 0.000 0.852 190 M CB 2.532 35.178 32.600 0.077 0.000 1.708 190 M HN 0.970 nan 8.290 nan 0.000 0.471 191 R N 1.382 121.892 120.500 0.017 0.000 2.686 191 R HA 0.831 5.176 4.340 0.009 0.000 0.283 191 R C -2.084 174.241 176.300 0.042 0.000 0.978 191 R CA -0.494 55.557 56.100 -0.081 0.000 0.897 191 R CB 1.928 32.158 30.300 -0.117 0.000 1.192 191 R HN 0.793 nan 8.270 nan 0.000 0.457 192 F N -0.178 119.756 119.950 -0.027 0.000 2.611 192 F HA 0.422 4.955 4.527 0.010 0.000 0.324 192 F C -0.244 175.539 175.800 -0.029 0.000 1.061 192 F CA -1.318 56.667 58.000 -0.024 0.000 0.954 192 F CB 1.162 40.151 39.000 -0.019 0.000 1.301 192 F HN 0.352 nan 8.300 nan 0.000 0.482 193 D N 2.254 122.788 120.400 0.222 0.000 2.688 193 D HA 0.127 4.773 4.640 0.009 0.000 0.228 193 D C -0.903 175.492 176.300 0.159 0.000 1.116 193 D CA 0.314 54.378 54.000 0.107 0.000 1.023 193 D CB -0.156 40.690 40.800 0.075 0.000 1.100 193 D HN 0.337 nan 8.370 nan 0.000 0.487 194 K N 0.855 121.350 120.400 0.158 0.000 2.656 194 K HA 0.333 4.658 4.320 0.009 0.000 0.253 194 K C 0.160 176.765 176.600 0.009 0.000 1.002 194 K CA -0.623 55.771 56.287 0.177 0.000 0.880 194 K CB 1.745 34.503 32.500 0.430 0.000 1.232 194 K HN 0.273 nan 8.250 nan 0.000 0.456 195 G N 1.243 109.995 108.800 -0.080 0.000 2.516 195 G HA2 0.249 4.215 3.960 0.009 0.000 0.276 195 G HA3 0.249 4.215 3.960 0.009 0.000 0.276 195 G C -0.446 174.375 174.900 -0.131 0.000 1.390 195 G CA -0.253 44.694 45.100 -0.254 0.000 1.050 195 G HN 0.441 nan 8.290 nan 0.000 0.519 196 Y N -1.264 119.070 120.300 0.057 0.000 2.336 196 Y HA 0.454 5.010 4.550 0.009 0.000 0.331 196 Y C 1.399 177.378 175.900 0.133 0.000 1.211 196 Y CA -1.590 56.562 58.100 0.087 0.000 1.346 196 Y CB 0.282 38.825 38.460 0.138 0.000 1.271 196 Y HN 0.252 nan 8.280 nan 0.000 0.538 197 I N 0.656 121.444 120.570 0.364 0.000 2.315 197 I HA -0.139 4.037 4.170 0.009 0.000 0.248 197 I C 1.041 177.352 176.117 0.324 0.000 1.117 197 I CA 1.414 62.886 61.300 0.287 0.000 1.404 197 I CB -0.136 37.997 38.000 0.221 0.000 1.071 197 I HN 0.619 nan 8.210 nan 0.000 0.419 198 S N 0.004 115.955 115.700 0.418 0.000 2.500 198 S HA 0.540 5.016 4.470 0.009 0.000 0.301 198 S C 0.737 175.388 174.600 0.084 0.000 1.092 198 S CA -0.412 57.929 58.200 0.235 0.000 1.030 198 S CB 1.777 65.007 63.200 0.051 0.000 1.031 198 S HN 0.273 nan 8.310 nan 0.000 0.483 199 G N 2.118 110.907 108.800 -0.017 0.000 2.511 199 G HA2 -0.033 3.933 3.960 0.009 0.000 0.217 199 G HA3 -0.033 3.933 3.960 0.009 0.000 0.217 199 G C 0.588 175.305 174.900 -0.304 0.000 1.133 199 G CA 0.345 45.212 45.100 -0.388 0.000 0.792 199 G HN 0.771 nan 8.290 nan 0.000 0.539 200 Y N -0.072 120.025 120.300 -0.338 0.000 2.651 200 Y HA 0.094 4.650 4.550 0.010 0.000 0.296 200 Y C 1.897 177.591 175.900 -0.343 0.000 1.150 200 Y CA -0.010 57.898 58.100 -0.321 0.000 1.348 200 Y CB -0.462 37.794 38.460 -0.340 0.000 0.983 200 Y HN 0.274 nan 8.280 nan 0.000 0.555 201 F N -1.447 118.418 119.950 -0.142 0.000 2.661 201 F HA -0.024 4.508 4.527 0.010 0.000 0.298 201 F C 1.144 176.845 175.800 -0.165 0.000 1.137 201 F CA -0.265 57.652 58.000 -0.138 0.000 1.454 201 F CB -0.095 38.834 39.000 -0.119 0.000 1.103 201 F HN -0.345 nan 8.300 nan 0.000 0.577 202 V N 1.120 120.966 119.914 -0.113 0.000 2.814 202 V HA -0.154 3.972 4.120 0.009 0.000 0.307 202 V C 1.278 177.364 176.094 -0.012 0.000 1.089 202 V CA 1.588 63.849 62.300 -0.064 0.000 1.212 202 V CB 0.930 32.689 31.823 -0.107 0.000 0.912 202 V HN 0.467 nan 8.190 nan 0.000 0.497 203 T N -1.772 112.793 114.554 0.018 0.000 2.969 203 T HA 0.135 4.490 4.350 0.009 0.000 0.258 203 T C 0.311 175.016 174.700 0.008 0.000 0.962 203 T CA 0.281 62.387 62.100 0.011 0.000 0.903 203 T CB 0.242 69.122 68.868 0.021 0.000 1.177 203 T HN 0.571 nan 8.240 nan 0.000 0.511 204 D N 2.111 122.522 120.400 0.018 0.000 2.441 204 D HA 0.405 5.051 4.640 0.009 0.000 0.287 204 D C -2.119 174.192 176.300 0.018 0.000 1.198 204 D CA -2.494 51.517 54.000 0.018 0.000 0.894 204 D CB 1.502 42.318 40.800 0.026 0.000 1.070 204 D HN -0.033 nan 8.370 nan 0.000 0.499 205 P HA -0.168 nan 4.420 nan 0.000 0.218 205 P C 1.021 178.326 177.300 0.008 0.000 1.146 205 P CA 1.129 64.223 63.100 -0.009 0.000 0.820 205 P CB 0.460 32.143 31.700 -0.029 0.000 0.778 206 E N -0.801 119.408 120.200 0.016 0.000 2.028 206 E HA -0.111 4.245 4.350 0.009 0.000 0.191 206 E C 1.981 178.608 176.600 0.045 0.000 0.988 206 E CA 0.892 57.307 56.400 0.026 0.000 0.799 206 E CB -0.172 29.544 29.700 0.027 0.000 0.755 206 E HN 0.228 nan 8.360 nan 0.000 0.447 207 R N 0.150 120.679 120.500 0.049 0.000 2.297 207 R HA 0.017 4.362 4.340 0.009 0.000 0.197 207 R C 0.154 176.490 176.300 0.059 0.000 0.943 207 R CA 0.058 56.191 56.100 0.055 0.000 1.038 207 R CB 0.279 30.606 30.300 0.044 0.000 0.957 207 R HN 0.012 nan 8.270 nan 0.000 0.484 208 Q N 1.370 121.210 119.800 0.066 0.000 2.460 208 Q HA -0.189 4.157 4.340 0.009 0.000 0.311 208 Q C -1.508 174.594 176.000 0.169 0.000 1.396 208 Q CA 0.970 56.836 55.803 0.104 0.000 0.838 208 Q CB -1.212 27.589 28.738 0.105 0.000 1.140 208 Q HN 0.448 nan 8.270 nan 0.000 0.415 209 E N -0.928 119.356 120.200 0.140 0.000 2.393 209 E HA 0.805 5.161 4.350 0.009 0.000 0.273 209 E C -1.143 175.544 176.600 0.144 0.000 0.918 209 E CA -0.561 55.935 56.400 0.161 0.000 0.773 209 E CB 1.788 31.530 29.700 0.071 0.000 1.275 209 E HN 0.253 nan 8.360 nan 0.000 0.451 210 A N 1.827 124.749 122.820 0.170 0.000 2.293 210 A HA 0.504 4.830 4.320 0.009 0.000 0.312 210 A C -0.770 176.849 177.584 0.059 0.000 1.309 210 A CA -0.525 51.579 52.037 0.111 0.000 0.839 210 A CB 0.496 19.586 19.000 0.151 0.000 1.155 210 A HN 0.279 nan 8.150 nan 0.000 0.501 211 V N 3.996 123.929 119.914 0.031 0.000 2.472 211 V HA 0.435 4.561 4.120 0.009 0.000 0.290 211 V C -0.058 176.035 176.094 -0.002 0.000 1.037 211 V CA -0.305 61.999 62.300 0.008 0.000 0.908 211 V CB 1.413 33.238 31.823 0.003 0.000 0.985 211 V HN 0.774 nan 8.190 nan 0.000 0.454 212 L N 3.469 124.686 121.223 -0.011 0.000 2.346 212 L HA 0.601 4.947 4.340 0.009 0.000 0.276 212 L C -0.432 176.434 176.870 -0.008 0.000 1.006 212 L CA -0.660 54.172 54.840 -0.014 0.000 0.817 212 L CB 2.244 44.289 42.059 -0.023 0.000 1.272 212 L HN 0.570 nan 8.230 nan 0.000 0.421 213 E N 2.225 122.424 120.200 -0.002 0.000 2.156 213 E HA 0.158 4.514 4.350 0.009 0.000 0.279 213 E C -0.799 175.812 176.600 0.018 0.000 0.965 213 E CA -0.164 56.239 56.400 0.004 0.000 0.789 213 E CB 0.699 30.402 29.700 0.005 0.000 1.098 213 E HN 0.396 nan 8.360 nan 0.000 0.397 214 D N 3.437 123.845 120.400 0.013 0.000 2.704 214 D HA -0.152 4.493 4.640 0.009 0.000 0.232 214 D C -2.236 174.097 176.300 0.056 0.000 1.183 214 D CA 0.419 54.431 54.000 0.020 0.000 0.647 214 D CB -0.791 40.031 40.800 0.037 0.000 1.013 214 D HN 0.319 nan 8.370 nan 0.000 0.415 215 P HA 0.135 nan 4.420 nan 0.000 0.281 215 P C -0.141 177.221 177.300 0.103 0.000 1.252 215 P CA -0.271 62.877 63.100 0.080 0.000 0.778 215 P CB 0.437 32.152 31.700 0.025 0.000 0.895 216 Y N 2.388 122.698 120.300 0.017 0.000 2.379 216 Y HA 0.214 4.770 4.550 0.010 0.000 0.337 216 Y C 1.137 177.052 175.900 0.026 0.000 1.238 216 Y CA 0.405 58.524 58.100 0.032 0.000 1.405 216 Y CB 0.419 38.915 38.460 0.060 0.000 1.310 216 Y HN 0.203 nan 8.280 nan 0.000 0.569 217 I N 4.603 125.259 120.570 0.144 0.000 2.389 217 I HA 0.207 4.383 4.170 0.009 0.000 0.288 217 I C -1.262 174.916 176.117 0.103 0.000 0.999 217 I CA -0.926 60.431 61.300 0.095 0.000 1.129 217 I CB 1.542 39.570 38.000 0.046 0.000 1.288 217 I HN 0.247 nan 8.210 nan 0.000 0.444 218 L N 8.335 129.614 121.223 0.093 0.000 2.276 218 L HA 0.510 4.855 4.340 0.009 0.000 0.286 218 L C -0.971 175.927 176.870 0.047 0.000 1.024 218 L CA -0.197 54.689 54.840 0.077 0.000 0.826 218 L CB 0.939 43.048 42.059 0.084 0.000 1.211 218 L HN 0.454 nan 8.230 nan 0.000 0.422 219 L N 6.374 127.617 121.223 0.033 0.000 2.262 219 L HA 0.534 4.880 4.340 0.009 0.000 0.288 219 L C -0.682 176.191 176.870 0.005 0.000 1.035 219 L CA -0.668 54.179 54.840 0.012 0.000 0.820 219 L CB 1.477 43.538 42.059 0.002 0.000 1.204 219 L HN 0.293 nan 8.230 nan 0.000 0.424 220 V N 2.007 121.920 119.914 -0.001 0.000 2.384 220 V HA 0.176 4.302 4.120 0.009 0.000 0.287 220 V C 0.627 176.709 176.094 -0.020 0.000 1.020 220 V CA -0.479 61.818 62.300 -0.005 0.000 0.850 220 V CB 1.820 33.645 31.823 0.003 0.000 0.987 220 V HN 0.839 nan 8.190 nan 0.000 0.436 221 S N 2.811 118.497 115.700 -0.024 0.000 3.513 221 S HA 0.506 4.982 4.470 0.009 0.000 0.209 221 S C 0.099 174.678 174.600 -0.036 0.000 1.446 221 S CA 0.074 58.252 58.200 -0.036 0.000 1.150 221 S CB -0.443 62.736 63.200 -0.035 0.000 1.266 221 S HN 1.187 nan 8.310 nan 0.000 0.502 222 S N -0.048 115.632 115.700 -0.033 0.000 2.678 222 S HA 0.357 4.833 4.470 0.009 0.000 0.290 222 S C -1.119 173.467 174.600 -0.023 0.000 1.047 222 S CA -1.348 56.833 58.200 -0.032 0.000 0.851 222 S CB 0.658 63.844 63.200 -0.023 0.000 1.058 222 S HN 0.523 nan 8.310 nan 0.000 0.451 223 K N 1.368 121.753 120.400 -0.024 0.000 2.448 223 K HA 0.397 4.722 4.320 0.009 0.000 0.278 223 K C -0.685 175.914 176.600 -0.001 0.000 1.009 223 K CA -0.290 55.990 56.287 -0.011 0.000 0.995 223 K CB 0.275 32.767 32.500 -0.014 0.000 0.917 223 K HN 0.596 nan 8.250 nan 0.000 0.481 224 V N 3.081 123.002 119.914 0.011 0.000 2.384 224 V HA 0.195 4.320 4.120 0.009 0.000 0.287 224 V C 0.390 176.498 176.094 0.023 0.000 1.020 224 V CA -0.412 61.898 62.300 0.018 0.000 0.850 224 V CB 1.190 33.028 31.823 0.026 0.000 0.987 224 V HN 1.009 nan 8.190 nan 0.000 0.436 225 S N 1.382 117.093 115.700 0.018 0.000 3.325 225 S HA 0.073 4.549 4.470 0.009 0.000 0.254 225 S C 0.989 175.599 174.600 0.017 0.000 1.084 225 S CA 0.373 58.584 58.200 0.018 0.000 0.786 225 S CB 0.487 63.694 63.200 0.012 0.000 0.849 225 S HN 0.855 nan 8.310 nan 0.000 0.483 226 T N 0.808 115.369 114.554 0.011 0.000 2.724 226 T HA 0.335 4.691 4.350 0.009 0.000 0.324 226 T C 0.982 175.688 174.700 0.011 0.000 1.071 226 T CA -0.143 61.962 62.100 0.008 0.000 1.061 226 T CB 0.569 69.439 68.868 0.004 0.000 0.990 226 T HN -0.028 nan 8.240 nan 0.000 0.543 227 V N 0.871 120.789 119.914 0.007 0.000 3.455 227 V HA 0.097 4.223 4.120 0.009 0.000 0.250 227 V C 2.303 178.396 176.094 -0.002 0.000 1.230 227 V CA 0.322 62.625 62.300 0.006 0.000 1.105 227 V CB -0.239 31.587 31.823 0.005 0.000 0.850 227 V HN 0.868 nan 8.190 nan 0.000 0.461 228 K N 0.551 120.949 120.400 -0.003 0.000 2.442 228 K HA -0.160 4.166 4.320 0.009 0.000 0.198 228 K C 0.871 177.465 176.600 -0.009 0.000 1.044 228 K CA 1.515 57.797 56.287 -0.008 0.000 0.948 228 K CB 0.005 32.502 32.500 -0.006 0.000 0.762 228 K HN 0.445 nan 8.250 nan 0.000 0.472 229 D N -0.005 120.392 120.400 -0.006 0.000 2.431 229 D HA 0.101 4.747 4.640 0.009 0.000 0.227 229 D C 1.640 177.935 176.300 -0.009 0.000 1.030 229 D CA 0.209 54.205 54.000 -0.007 0.000 0.897 229 D CB 0.313 41.112 40.800 -0.002 0.000 1.058 229 D HN -0.039 nan 8.370 nan 0.000 0.500 230 L N 0.278 121.497 121.223 -0.006 0.000 2.068 230 L HA 0.006 4.351 4.340 0.009 0.000 0.204 230 L C 2.164 179.011 176.870 -0.039 0.000 1.076 230 L CA 0.537 55.372 54.840 -0.008 0.000 0.753 230 L CB -0.275 41.792 42.059 0.014 0.000 0.910 230 L HN 0.065 nan 8.230 nan 0.000 0.439 231 L N -0.015 121.182 121.223 -0.044 0.000 2.010 231 L HA -0.243 4.103 4.340 0.009 0.000 0.219 231 L C -0.210 176.609 176.870 -0.085 0.000 1.077 231 L CA 1.838 56.634 54.840 -0.073 0.000 0.773 231 L CB -2.015 40.012 42.059 -0.053 0.000 0.892 231 L HN 0.221 nan 8.230 nan 0.000 0.436 232 P HA -0.204 nan 4.420 nan 0.000 0.218 232 P C 1.549 178.809 177.300 -0.067 0.000 1.146 232 P CA 1.331 64.397 63.100 -0.056 0.000 0.813 232 P CB 0.110 31.788 31.700 -0.036 0.000 0.778 233 L N -1.600 119.582 121.223 -0.069 0.000 2.189 233 L HA 0.068 4.413 4.340 0.009 0.000 0.199 233 L C 2.121 178.910 176.870 -0.135 0.000 1.074 233 L CA 1.296 56.092 54.840 -0.073 0.000 0.783 233 L CB -1.180 40.857 42.059 -0.037 0.000 0.955 233 L HN -0.193 nan 8.230 nan 0.000 0.460 234 L N -0.351 120.765 121.223 -0.178 0.000 2.129 234 L HA -0.248 4.098 4.340 0.009 0.000 0.212 234 L C 2.430 179.011 176.870 -0.481 0.000 1.087 234 L CA 1.532 56.144 54.840 -0.381 0.000 0.757 234 L CB -0.713 41.103 42.059 -0.406 0.000 0.896 234 L HN 0.394 nan 8.230 nan 0.000 0.434 235 E N 0.225 120.246 120.200 -0.298 0.000 2.051 235 E HA -0.267 4.088 4.350 0.009 0.000 0.192 235 E C 2.118 178.599 176.600 -0.199 0.000 0.991 235 E CA 1.199 57.455 56.400 -0.239 0.000 0.799 235 E CB -0.014 29.596 29.700 -0.150 0.000 0.748 235 E HN 0.181 nan 8.360 nan 0.000 0.449 236 K N 0.660 120.964 120.400 -0.160 0.000 2.281 236 K HA -0.126 4.200 4.320 0.009 0.000 0.203 236 K C 1.697 178.193 176.600 -0.172 0.000 1.046 236 K CA 0.757 56.967 56.287 -0.129 0.000 0.938 236 K CB -0.002 32.443 32.500 -0.092 0.000 0.737 236 K HN -0.033 nan 8.250 nan 0.000 0.458 237 V N 0.387 120.162 119.914 -0.233 0.000 2.446 237 V HA -0.125 4.001 4.120 0.009 0.000 0.244 237 V C 2.090 178.081 176.094 -0.173 0.000 1.039 237 V CA 1.436 63.575 62.300 -0.270 0.000 1.045 237 V CB -0.337 31.373 31.823 -0.189 0.000 0.681 237 V HN 0.236 nan 8.190 nan 0.000 0.459 238 I N 1.419 121.847 120.570 -0.236 0.000 2.208 238 I HA -0.209 3.966 4.170 0.009 0.000 0.245 238 I C 2.631 178.722 176.117 -0.043 0.000 1.097 238 I CA 1.842 63.080 61.300 -0.103 0.000 1.363 238 I CB -1.005 36.872 38.000 -0.205 0.000 1.051 238 I HN 0.419 nan 8.210 nan 0.000 0.413 239 G N 0.557 109.309 108.800 -0.080 0.000 2.475 239 G HA2 -0.260 3.706 3.960 0.009 0.000 0.220 239 G HA3 -0.260 3.706 3.960 0.009 0.000 0.220 239 G C 1.807 176.688 174.900 -0.031 0.000 1.125 239 G CA 0.870 45.941 45.100 -0.049 0.000 0.755 239 G HN 0.524 nan 8.290 nan 0.000 0.565 240 A N -0.014 122.771 122.820 -0.057 0.000 2.014 240 A HA 0.403 4.729 4.320 0.009 0.000 0.218 240 A C 2.088 179.686 177.584 0.024 0.000 1.163 240 A CA 1.517 53.537 52.037 -0.028 0.000 0.652 240 A CB -0.621 18.302 19.000 -0.129 0.000 0.808 240 A HN 1.711 nan 8.150 nan 0.000 0.449 241 G N -0.650 108.169 108.800 0.032 0.000 2.298 241 G HA2 -0.218 3.748 3.960 0.009 0.000 0.287 241 G HA3 -0.218 3.748 3.960 0.009 0.000 0.287 241 G C -0.159 174.790 174.900 0.081 0.000 1.075 241 G CA 0.612 45.751 45.100 0.064 0.000 0.960 241 G HN 0.599 nan 8.290 nan 0.000 0.502 242 K N -0.303 120.154 120.400 0.096 0.000 2.498 242 K HA 0.441 4.767 4.320 0.009 0.000 0.254 242 K C -2.571 174.090 176.600 0.103 0.000 0.933 242 K CA -2.048 54.314 56.287 0.126 0.000 0.806 242 K CB 2.825 35.473 32.500 0.248 0.000 1.301 242 K HN -0.002 nan 8.250 nan 0.000 0.432 243 P HA 0.083 nan 4.420 nan 0.000 0.278 243 P C -1.138 176.146 177.300 -0.025 0.000 1.270 243 P CA -0.497 62.547 63.100 -0.094 0.000 0.800 243 P CB 0.407 32.073 31.700 -0.057 0.000 1.142 244 L N 0.011 121.158 121.223 -0.127 0.000 2.666 244 L HA 0.354 4.700 4.340 0.009 0.000 0.258 244 L C -1.508 175.350 176.870 -0.021 0.000 0.991 244 L CA -0.647 54.210 54.840 0.028 0.000 0.916 244 L CB 0.740 42.907 42.059 0.178 0.000 1.199 244 L HN 0.064 nan 8.230 nan 0.000 0.439 245 L N 5.129 126.356 121.223 0.007 0.000 2.410 245 L HA 0.487 4.833 4.340 0.009 0.000 0.273 245 L C -0.625 176.254 176.870 0.014 0.000 1.152 245 L CA 0.682 55.510 54.840 -0.021 0.000 0.855 245 L CB 0.716 42.775 42.059 0.000 0.000 1.129 245 L HN 0.666 nan 8.230 nan 0.000 0.463 246 I N 6.376 126.936 120.570 -0.017 0.000 2.418 246 I HA 0.446 4.621 4.170 0.009 0.000 0.287 246 I C -1.056 175.069 176.117 0.013 0.000 1.008 246 I CA -0.578 60.730 61.300 0.013 0.000 1.104 246 I CB 0.979 38.991 38.000 0.019 0.000 1.264 246 I HN 0.590 nan 8.210 nan 0.000 0.438 247 I N 8.218 128.806 120.570 0.029 0.000 2.359 247 I HA 0.654 4.829 4.170 0.009 0.000 0.284 247 I C -0.053 176.064 176.117 0.000 0.000 1.018 247 I CA -0.222 61.093 61.300 0.024 0.000 1.173 247 I CB 1.265 39.281 38.000 0.026 0.000 1.326 247 I HN 0.588 nan 8.210 nan 0.000 0.462 248 A N 4.273 127.093 122.820 0.000 0.000 2.527 248 A HA 0.428 4.754 4.320 0.009 0.000 0.293 248 A C 0.798 178.372 177.584 -0.016 0.000 1.117 248 A CA -0.575 51.458 52.037 -0.008 0.000 0.723 248 A CB 1.516 20.520 19.000 0.006 0.000 1.313 248 A HN 0.763 nan 8.150 nan 0.000 0.411 249 E N -0.206 119.976 120.200 -0.029 0.000 2.208 249 E HA -0.214 4.141 4.350 0.009 0.000 0.202 249 E C -0.039 176.550 176.600 -0.019 0.000 1.014 249 E CA 1.947 58.322 56.400 -0.041 0.000 0.819 249 E CB 0.145 29.811 29.700 -0.056 0.000 0.735 249 E HN 0.609 nan 8.360 nan 0.000 0.469 250 D N -2.410 117.991 120.400 0.001 0.000 2.807 250 D HA 0.077 4.723 4.640 0.009 0.000 0.279 250 D C -1.815 174.506 176.300 0.036 0.000 1.247 250 D CA -0.452 53.562 54.000 0.024 0.000 0.749 250 D CB 1.574 42.386 40.800 0.020 0.000 1.264 250 D HN -0.150 nan 8.370 nan 0.000 0.421 251 V N 2.560 122.509 119.914 0.058 0.000 2.325 251 V HA 0.281 4.406 4.120 0.009 0.000 0.280 251 V C 0.104 176.241 176.094 0.071 0.000 1.016 251 V CA -0.750 61.593 62.300 0.072 0.000 0.818 251 V CB 1.345 33.231 31.823 0.105 0.000 1.019 251 V HN 0.318 nan 8.190 nan 0.000 0.434 252 E N 2.524 122.753 120.200 0.049 0.000 2.366 252 E HA 0.208 4.563 4.350 0.009 0.000 0.266 252 E C 1.535 178.155 176.600 0.033 0.000 1.051 252 E CA 0.561 56.983 56.400 0.036 0.000 0.884 252 E CB 1.512 31.226 29.700 0.023 0.000 1.006 252 E HN 0.681 nan 8.360 nan 0.000 0.417 253 G N 3.008 111.819 108.800 0.019 0.000 2.869 253 G HA2 -0.425 3.540 3.960 0.009 0.000 0.236 253 G HA3 -0.425 3.540 3.960 0.009 0.000 0.236 253 G C 1.267 176.169 174.900 0.002 0.000 1.134 253 G CA 1.718 46.820 45.100 0.003 0.000 0.748 253 G HN 0.674 nan 8.290 nan 0.000 0.644 254 E N 0.378 120.583 120.200 0.008 0.000 1.996 254 E HA -0.003 4.353 4.350 0.009 0.000 0.197 254 E C 2.973 179.585 176.600 0.020 0.000 1.002 254 E CA 0.985 57.390 56.400 0.008 0.000 0.840 254 E CB -0.386 29.319 29.700 0.008 0.000 0.786 254 E HN 0.335 nan 8.360 nan 0.000 0.469 255 A N 1.094 123.934 122.820 0.032 0.000 2.042 255 A HA -0.218 4.108 4.320 0.009 0.000 0.222 255 A C 2.150 179.781 177.584 0.078 0.000 1.167 255 A CA 1.549 53.617 52.037 0.051 0.000 0.649 255 A CB -0.787 18.245 19.000 0.053 0.000 0.809 255 A HN 0.436 nan 8.150 nan 0.000 0.457 256 L N 0.846 122.114 121.223 0.074 0.000 1.971 256 L HA -0.222 4.123 4.340 0.009 0.000 0.215 256 L C 2.871 179.772 176.870 0.052 0.000 1.072 256 L CA 3.079 57.978 54.840 0.100 0.000 0.758 256 L CB -0.900 41.198 42.059 0.065 0.000 0.889 256 L HN 0.552 nan 8.230 nan 0.000 0.433 257 S N -2.132 113.565 115.700 -0.005 0.000 2.359 257 S HA -0.244 4.232 4.470 0.009 0.000 0.224 257 S C 1.916 176.515 174.600 -0.003 0.000 1.035 257 S CA 1.794 59.968 58.200 -0.044 0.000 1.018 257 S CB -1.445 61.726 63.200 -0.049 0.000 0.876 257 S HN 0.593 nan 8.310 nan 0.000 0.448 258 T N 3.084 117.657 114.554 0.032 0.000 2.721 258 T HA -0.080 4.276 4.350 0.009 0.000 0.268 258 T C 1.692 176.460 174.700 0.113 0.000 1.038 258 T CA 1.851 63.987 62.100 0.060 0.000 1.145 258 T CB -0.589 68.315 68.868 0.060 0.000 0.858 258 T HN 0.375 nan 8.240 nan 0.000 0.459 259 L N 0.219 121.534 121.223 0.153 0.000 2.034 259 L HA -0.008 4.337 4.340 0.009 0.000 0.203 259 L C 2.738 179.718 176.870 0.184 0.000 1.074 259 L CA 0.707 55.707 54.840 0.267 0.000 0.748 259 L CB -0.718 41.597 42.059 0.427 0.000 0.905 259 L HN 0.102 nan 8.230 nan 0.000 0.439 260 V N -0.476 119.408 119.914 -0.050 0.000 2.332 260 V HA -0.257 3.868 4.120 0.009 0.000 0.248 260 V C 2.418 178.439 176.094 -0.121 0.000 1.055 260 V CA 1.488 63.591 62.300 -0.329 0.000 1.038 260 V CB -0.458 31.081 31.823 -0.474 0.000 0.651 260 V HN 0.167 nan 8.190 nan 0.000 0.450 261 V N 0.537 120.417 119.914 -0.057 0.000 2.214 261 V HA -0.282 3.843 4.120 0.009 0.000 0.244 261 V C 2.321 178.431 176.094 0.027 0.000 1.045 261 V CA 2.395 64.685 62.300 -0.017 0.000 0.993 261 V CB -0.881 30.937 31.823 -0.009 0.000 0.633 261 V HN 0.571 nan 8.190 nan 0.000 0.449 262 N N -0.012 118.730 118.700 0.070 0.000 2.322 262 N HA -0.225 4.521 4.740 0.009 0.000 0.189 262 N C 1.834 177.409 175.510 0.108 0.000 1.012 262 N CA 1.209 54.328 53.050 0.114 0.000 0.880 262 N CB -0.236 38.370 38.487 0.197 0.000 0.967 262 N HN 0.375 nan 8.380 nan 0.000 0.439 263 K N 1.076 121.524 120.400 0.081 0.000 2.116 263 K HA 0.013 4.339 4.320 0.009 0.000 0.203 263 K C 1.773 178.391 176.600 0.029 0.000 1.052 263 K CA 0.364 56.686 56.287 0.057 0.000 0.952 263 K CB 0.058 32.612 32.500 0.090 0.000 0.729 263 K HN 0.052 nan 8.250 nan 0.000 0.446 264 I N 1.235 121.814 120.570 0.014 0.000 2.333 264 I HA -0.122 4.054 4.170 0.009 0.000 0.246 264 I C 1.972 178.100 176.117 0.017 0.000 1.106 264 I CA 0.932 62.238 61.300 0.009 0.000 1.411 264 I CB -0.745 37.260 38.000 0.008 0.000 1.082 264 I HN 0.123 nan 8.210 nan 0.000 0.420 265 R N 0.860 121.376 120.500 0.025 0.000 2.328 265 R HA 0.025 4.370 4.340 0.009 0.000 0.207 265 R C 1.492 177.814 176.300 0.037 0.000 1.056 265 R CA 0.688 56.805 56.100 0.029 0.000 1.016 265 R CB -0.358 29.962 30.300 0.033 0.000 0.872 265 R HN 0.482 nan 8.270 nan 0.000 0.471 266 G N 0.649 109.473 108.800 0.041 0.000 2.187 266 G HA2 -0.346 3.620 3.960 0.009 0.000 0.261 266 G HA3 -0.346 3.620 3.960 0.009 0.000 0.261 266 G C 0.835 175.776 174.900 0.068 0.000 1.000 266 G CA 1.035 46.160 45.100 0.042 0.000 0.718 266 G HN 0.362 nan 8.290 nan 0.000 0.519 267 T N -1.191 113.418 114.554 0.092 0.000 2.737 267 T HA 0.162 4.518 4.350 0.009 0.000 0.265 267 T C 0.533 175.368 174.700 0.225 0.000 1.038 267 T CA 1.651 63.824 62.100 0.122 0.000 1.144 267 T CB 0.107 69.042 68.868 0.112 0.000 0.866 267 T HN 0.876 nan 8.240 nan 0.000 0.434 268 F N 2.221 122.185 119.950 0.024 0.000 3.051 268 F HA 0.352 4.885 4.527 0.010 0.000 0.363 268 F C -1.183 174.649 175.800 0.053 0.000 1.257 268 F CA -1.628 56.388 58.000 0.028 0.000 1.126 268 F CB 0.840 39.852 39.000 0.021 0.000 1.476 268 F HN -0.203 nan 8.300 nan 0.000 0.576 269 K N 4.105 124.310 120.400 -0.325 0.000 2.401 269 K HA 0.613 4.938 4.320 0.009 0.000 0.278 269 K C -0.159 176.080 176.600 -0.602 0.000 1.018 269 K CA 0.028 56.129 56.287 -0.309 0.000 0.981 269 K CB 0.869 33.273 32.500 -0.161 0.000 0.933 269 K HN 0.671 nan 8.250 nan 0.000 0.477 270 S N -0.207 115.312 115.700 -0.301 0.000 2.627 270 S HA 0.523 4.998 4.470 0.009 0.000 0.268 270 S C -1.067 173.403 174.600 -0.217 0.000 1.130 270 S CA -1.115 56.906 58.200 -0.299 0.000 0.819 270 S CB 1.017 64.004 63.200 -0.354 0.000 1.100 270 S HN 0.264 nan 8.310 nan 0.000 0.465 271 V N -0.311 119.340 119.914 -0.438 0.000 3.160 271 V HA 0.996 5.121 4.120 0.009 0.000 0.310 271 V C -0.481 175.106 176.094 -0.846 0.000 1.181 271 V CA -0.452 61.281 62.300 -0.944 0.000 1.047 271 V CB 1.819 33.381 31.823 -0.436 0.000 1.068 271 V HN 1.759 nan 8.190 nan 0.000 0.441 272 A N 1.352 123.586 122.820 -0.977 0.000 2.385 272 A HA 0.847 5.173 4.320 0.009 0.000 0.290 272 A C -1.262 176.260 177.584 -0.103 0.000 1.094 272 A CA -0.451 51.366 52.037 -0.365 0.000 0.729 272 A CB 1.490 20.378 19.000 -0.188 0.000 1.194 272 A HN 0.762 nan 8.150 nan 0.000 0.442 273 V N 2.209 122.118 119.914 -0.009 0.000 2.628 273 V HA 0.426 4.552 4.120 0.009 0.000 0.306 273 V C 0.210 176.360 176.094 0.094 0.000 1.045 273 V CA -0.872 61.479 62.300 0.086 0.000 0.905 273 V CB 1.957 33.866 31.823 0.143 0.000 0.997 273 V HN 0.866 nan 8.190 nan 0.000 0.436 274 K N 2.622 123.084 120.400 0.104 0.000 2.297 274 K HA 0.600 4.926 4.320 0.009 0.000 0.286 274 K C 0.341 176.967 176.600 0.043 0.000 1.053 274 K CA -0.236 56.091 56.287 0.066 0.000 0.940 274 K CB 1.094 33.635 32.500 0.068 0.000 1.019 274 K HN 0.933 nan 8.250 nan 0.000 0.475 275 A N 5.908 128.711 122.820 -0.030 0.000 2.565 275 A HA 0.133 4.459 4.320 0.009 0.000 0.237 275 A C -2.112 175.395 177.584 -0.128 0.000 1.053 275 A CA -0.771 51.184 52.037 -0.137 0.000 0.755 275 A CB -0.356 18.565 19.000 -0.132 0.000 0.980 275 A HN 0.504 nan 8.150 nan 0.000 0.506 276 P HA 0.576 nan 4.420 nan 0.000 0.290 276 P C 0.368 177.620 177.300 -0.079 0.000 1.276 276 P CA 0.895 63.923 63.100 -0.120 0.000 0.808 276 P CB 1.392 32.990 31.700 -0.169 0.000 0.966 277 G N 1.873 110.682 108.800 0.016 0.000 2.306 277 G HA2 0.146 4.112 3.960 0.009 0.000 0.262 277 G HA3 0.146 4.112 3.960 0.009 0.000 0.262 277 G C -2.115 172.894 174.900 0.181 0.000 1.263 277 G CA -0.742 44.400 45.100 0.070 0.000 1.088 277 G HN 0.518 nan 8.290 nan 0.000 0.489 278 F N 0.587 120.533 119.950 -0.006 0.000 2.635 278 F HA 0.552 5.085 4.527 0.009 0.000 0.314 278 F C 1.053 176.856 175.800 0.004 0.000 1.119 278 F CA 1.335 59.338 58.000 0.005 0.000 1.000 278 F CB 1.516 40.529 39.000 0.021 0.000 1.278 278 F HN 2.167 nan 8.300 nan 0.000 0.446 279 G N 4.373 113.020 108.800 -0.255 0.000 2.660 279 G HA2 -0.429 3.537 3.960 0.009 0.000 0.338 279 G HA3 -0.429 3.537 3.960 0.009 0.000 0.338 279 G C 0.736 175.628 174.900 -0.014 0.000 1.336 279 G CA 1.035 46.073 45.100 -0.102 0.000 0.990 279 G HN 0.688 nan 8.290 nan 0.000 0.537 280 D N 0.431 120.850 120.400 0.031 0.000 2.158 280 D HA -0.061 4.584 4.640 0.009 0.000 0.197 280 D C 2.712 179.027 176.300 0.025 0.000 0.995 280 D CA 1.487 55.501 54.000 0.023 0.000 0.846 280 D CB -0.248 40.573 40.800 0.035 0.000 0.941 280 D HN 0.487 nan 8.370 nan 0.000 0.456 281 R N 0.087 120.624 120.500 0.061 0.000 2.127 281 R HA -0.062 4.284 4.340 0.009 0.000 0.238 281 R C 2.261 178.569 176.300 0.012 0.000 1.134 281 R CA 0.983 57.113 56.100 0.049 0.000 0.975 281 R CB -0.144 30.215 30.300 0.098 0.000 0.865 281 R HN 0.148 nan 8.270 nan 0.000 0.447 282 R N 1.372 121.875 120.500 0.005 0.000 2.057 282 R HA -0.033 4.313 4.340 0.009 0.000 0.224 282 R C 1.456 177.720 176.300 -0.059 0.000 1.136 282 R CA 1.200 57.276 56.100 -0.039 0.000 0.968 282 R CB 0.019 30.288 30.300 -0.053 0.000 0.863 282 R HN 0.097 nan 8.270 nan 0.000 0.433 283 K N 0.567 120.937 120.400 -0.049 0.000 2.173 283 K HA -0.157 4.169 4.320 0.009 0.000 0.207 283 K C 2.063 178.637 176.600 -0.043 0.000 1.046 283 K CA 1.537 57.795 56.287 -0.047 0.000 0.929 283 K CB -0.207 32.272 32.500 -0.035 0.000 0.720 283 K HN 0.257 nan 8.250 nan 0.000 0.453 284 A N 1.660 124.458 122.820 -0.036 0.000 1.898 284 A HA -0.123 4.202 4.320 0.009 0.000 0.216 284 A C 2.190 179.745 177.584 -0.048 0.000 1.181 284 A CA 1.385 53.402 52.037 -0.034 0.000 0.620 284 A CB -0.413 18.572 19.000 -0.026 0.000 0.819 284 A HN 0.184 nan 8.150 nan 0.000 0.442 285 M N -0.891 118.669 119.600 -0.067 0.000 2.229 285 M HA -0.025 4.460 4.480 0.009 0.000 0.264 285 M C 2.085 178.320 176.300 -0.109 0.000 1.063 285 M CA 1.094 56.338 55.300 -0.094 0.000 1.114 285 M CB -0.452 32.068 32.600 -0.134 0.000 1.387 285 M HN 0.335 nan 8.290 nan 0.000 0.420 286 L N -0.026 121.134 121.223 -0.104 0.000 2.093 286 L HA -0.212 4.133 4.340 0.009 0.000 0.208 286 L C 2.690 179.527 176.870 -0.055 0.000 1.085 286 L CA 1.132 55.918 54.840 -0.091 0.000 0.755 286 L CB -0.373 41.639 42.059 -0.078 0.000 0.904 286 L HN 0.282 nan 8.230 nan 0.000 0.435 287 Q N 0.079 119.852 119.800 -0.045 0.000 2.119 287 Q HA -0.216 4.129 4.340 0.009 0.000 0.201 287 Q C 1.695 177.679 176.000 -0.027 0.000 0.972 287 Q CA 1.732 57.517 55.803 -0.030 0.000 0.847 287 Q CB -0.096 28.627 28.738 -0.025 0.000 0.903 287 Q HN 0.357 nan 8.270 nan 0.000 0.433 288 D N -0.661 119.720 120.400 -0.033 0.000 2.123 288 D HA -0.155 4.490 4.640 0.009 0.000 0.196 288 D C 1.713 178.003 176.300 -0.016 0.000 0.992 288 D CA 1.426 55.411 54.000 -0.024 0.000 0.833 288 D CB -0.123 40.659 40.800 -0.029 0.000 0.954 288 D HN 0.382 nan 8.370 nan 0.000 0.455 289 M N 0.090 119.676 119.600 -0.024 0.000 2.319 289 M HA -0.013 4.473 4.480 0.009 0.000 0.265 289 M C 2.205 178.504 176.300 -0.002 0.000 1.068 289 M CA 0.818 56.116 55.300 -0.003 0.000 1.118 289 M CB -0.007 32.588 32.600 -0.009 0.000 1.395 289 M HN -0.045 nan 8.290 nan 0.000 0.435 290 A N 1.275 124.088 122.820 -0.011 0.000 1.858 290 A HA -0.144 4.182 4.320 0.009 0.000 0.216 290 A C 2.002 179.582 177.584 -0.007 0.000 1.190 290 A CA 1.389 53.422 52.037 -0.007 0.000 0.617 290 A CB -0.694 18.300 19.000 -0.010 0.000 0.827 290 A HN 0.366 nan 8.150 nan 0.000 0.443 291 I N -0.228 120.337 120.570 -0.008 0.000 2.335 291 I HA -0.201 3.974 4.170 0.009 0.000 0.251 291 I C 2.429 178.542 176.117 -0.007 0.000 1.129 291 I CA 1.096 62.391 61.300 -0.008 0.000 1.402 291 I CB -1.281 36.714 38.000 -0.009 0.000 1.069 291 I HN 0.367 nan 8.210 nan 0.000 0.424 292 L N 0.120 121.341 121.223 -0.004 0.000 2.068 292 L HA -0.149 4.197 4.340 0.009 0.000 0.204 292 L C 2.392 179.257 176.870 -0.007 0.000 1.076 292 L CA 1.352 56.191 54.840 -0.002 0.000 0.753 292 L CB -0.208 41.856 42.059 0.008 0.000 0.910 292 L HN 0.165 nan 8.230 nan 0.000 0.439 293 T N -0.611 113.939 114.554 -0.006 0.000 2.985 293 T HA 0.064 4.420 4.350 0.009 0.000 0.266 293 T C 0.988 175.670 174.700 -0.029 0.000 1.076 293 T CA 0.907 62.996 62.100 -0.018 0.000 1.135 293 T CB -0.080 68.782 68.868 -0.008 0.000 0.890 293 T HN 0.632 nan 8.240 nan 0.000 0.480 294 G N 0.879 109.667 108.800 -0.019 0.000 2.255 294 G HA2 0.107 4.072 3.960 0.009 0.000 0.239 294 G HA3 0.107 4.072 3.960 0.009 0.000 0.239 294 G C 0.111 175.002 174.900 -0.015 0.000 1.083 294 G CA -0.370 44.718 45.100 -0.020 0.000 0.826 294 G HN 0.857 nan 8.290 nan 0.000 0.493 295 G N -0.962 107.835 108.800 -0.005 0.000 2.667 295 G HA2 0.669 4.635 3.960 0.009 0.000 0.298 295 G HA3 0.669 4.635 3.960 0.009 0.000 0.298 295 G C -0.269 174.636 174.900 0.008 0.000 1.377 295 G CA -0.642 44.462 45.100 0.007 0.000 0.964 295 G HN 0.295 nan 8.290 nan 0.000 0.493 296 Q N -0.100 119.708 119.800 0.012 0.000 2.421 296 Q HA 0.278 4.623 4.340 0.009 0.000 0.255 296 Q C 0.216 176.221 176.000 0.008 0.000 1.013 296 Q CA -0.294 55.514 55.803 0.008 0.000 0.895 296 Q CB 1.846 30.590 28.738 0.009 0.000 1.271 296 Q HN 0.274 nan 8.270 nan 0.000 0.460 297 V N 2.724 122.639 119.914 0.001 0.000 2.407 297 V HA 0.157 4.283 4.120 0.009 0.000 0.278 297 V C 0.338 176.431 176.094 -0.001 0.000 1.037 297 V CA -0.669 61.630 62.300 -0.002 0.000 0.900 297 V CB 0.995 32.811 31.823 -0.012 0.000 0.983 297 V HN 0.561 nan 8.190 nan 0.000 0.459 298 I N 4.466 125.037 120.570 0.002 0.000 2.517 298 I HA 0.209 4.385 4.170 0.009 0.000 0.285 298 I C 0.634 176.749 176.117 -0.005 0.000 1.106 298 I CA 1.190 62.491 61.300 0.002 0.000 1.402 298 I CB 1.087 39.091 38.000 0.008 0.000 1.399 298 I HN 0.649 nan 8.210 nan 0.000 0.535 299 S N 5.557 121.254 115.700 -0.005 0.000 2.511 299 S HA 0.271 4.747 4.470 0.009 0.000 0.233 299 S C 0.752 175.348 174.600 -0.008 0.000 1.104 299 S CA -0.598 57.596 58.200 -0.009 0.000 1.129 299 S CB 0.307 63.500 63.200 -0.011 0.000 1.159 299 S HN 0.712 nan 8.310 nan 0.000 0.451 300 E N 1.973 122.169 120.200 -0.008 0.000 2.267 300 E HA -0.207 4.148 4.350 0.009 0.000 0.197 300 E C 1.802 178.398 176.600 -0.007 0.000 0.998 300 E CA 1.475 57.871 56.400 -0.006 0.000 0.830 300 E CB 0.155 29.851 29.700 -0.007 0.000 0.751 300 E HN 0.906 nan 8.360 nan 0.000 0.491 301 E N 0.560 120.755 120.200 -0.009 0.000 2.051 301 E HA -0.157 4.199 4.350 0.009 0.000 0.192 301 E C 2.055 178.651 176.600 -0.007 0.000 0.991 301 E CA 1.349 57.744 56.400 -0.008 0.000 0.799 301 E CB -0.327 29.366 29.700 -0.011 0.000 0.748 301 E HN 0.002 nan 8.360 nan 0.000 0.449 302 V N 0.638 120.548 119.914 -0.007 0.000 2.245 302 V HA -0.040 4.086 4.120 0.009 0.000 0.233 302 V C 1.961 178.053 176.094 -0.004 0.000 1.028 302 V CA 1.967 64.264 62.300 -0.005 0.000 0.991 302 V CB -0.629 31.191 31.823 -0.005 0.000 0.640 302 V HN 0.664 nan 8.190 nan 0.000 0.461 303 G N -1.383 107.415 108.800 -0.003 0.000 4.496 303 G HA2 0.222 4.187 3.960 0.009 0.000 0.211 303 G HA3 0.222 4.187 3.960 0.009 0.000 0.211 303 G C -0.361 174.538 174.900 -0.001 0.000 0.831 303 G CA -0.464 44.635 45.100 -0.002 0.000 0.815 303 G HN 0.270 nan 8.290 nan 0.000 0.528 304 L N 2.851 124.073 121.223 -0.001 0.000 2.277 304 L HA 0.446 4.791 4.340 0.009 0.000 0.284 304 L C -0.247 176.623 176.870 -0.000 0.000 1.028 304 L CA -0.405 54.435 54.840 0.000 0.000 0.835 304 L CB 1.630 43.690 42.059 0.001 0.000 1.215 304 L HN -0.015 nan 8.230 nan 0.000 0.425 305 T N 3.250 117.804 114.554 0.000 0.000 2.771 305 T HA 0.119 4.474 4.350 0.009 0.000 0.291 305 T C 0.966 175.666 174.700 0.001 0.000 0.954 305 T CA -0.549 61.550 62.100 -0.001 0.000 1.045 305 T CB 2.069 70.936 68.868 -0.002 0.000 0.917 305 T HN 0.379 nan 8.240 nan 0.000 0.484 306 L N 3.074 124.298 121.223 0.001 0.000 2.127 306 L HA -0.046 4.300 4.340 0.009 0.000 0.211 306 L C 2.341 179.211 176.870 -0.001 0.000 1.089 306 L CA 1.807 56.649 54.840 0.003 0.000 0.757 306 L CB -0.669 41.393 42.059 0.005 0.000 0.899 306 L HN 0.837 nan 8.230 nan 0.000 0.434 307 E N -0.320 119.878 120.200 -0.004 0.000 2.058 307 E HA -0.191 4.165 4.350 0.009 0.000 0.194 307 E C 0.106 176.700 176.600 -0.009 0.000 0.997 307 E CA 1.071 57.467 56.400 -0.008 0.000 0.801 307 E CB 0.030 29.726 29.700 -0.007 0.000 0.746 307 E HN 0.522 nan 8.360 nan 0.000 0.450 308 N N 0.601 119.297 118.700 -0.006 0.000 2.949 308 N HA 0.320 5.066 4.740 0.009 0.000 0.243 308 N C -1.308 174.201 175.510 -0.002 0.000 1.113 308 N CA 0.146 53.192 53.050 -0.005 0.000 0.980 308 N CB 1.423 39.908 38.487 -0.004 0.000 1.256 308 N HN 0.122 nan 8.380 nan 0.000 0.508 309 A N 0.743 123.562 122.820 -0.003 0.000 2.515 309 A HA 0.576 4.901 4.320 0.009 0.000 0.298 309 A C -1.122 176.464 177.584 0.003 0.000 1.059 309 A CA -0.728 51.311 52.037 0.005 0.000 0.698 309 A CB 2.388 21.393 19.000 0.009 0.000 1.289 309 A HN 0.334 nan 8.150 nan 0.000 0.404 310 D N 0.674 121.083 120.400 0.016 0.000 2.566 310 D HA 0.447 5.093 4.640 0.009 0.000 0.254 310 D C 0.627 176.959 176.300 0.052 0.000 1.090 310 D CA -0.551 53.460 54.000 0.020 0.000 1.034 310 D CB 1.650 42.461 40.800 0.018 0.000 1.434 310 D HN 0.201 nan 8.370 nan 0.000 0.509 311 L N 1.268 122.536 121.223 0.075 0.000 2.089 311 L HA -0.244 4.102 4.340 0.009 0.000 0.213 311 L C 2.592 179.549 176.870 0.146 0.000 1.079 311 L CA 1.967 56.916 54.840 0.181 0.000 0.758 311 L CB -1.481 40.727 42.059 0.249 0.000 0.891 311 L HN 0.518 nan 8.230 nan 0.000 0.433 312 S N -0.977 114.775 115.700 0.086 0.000 2.413 312 S HA -0.236 4.240 4.470 0.009 0.000 0.237 312 S C 1.920 176.549 174.600 0.050 0.000 1.044 312 S CA 1.637 59.870 58.200 0.056 0.000 1.024 312 S CB -0.797 62.425 63.200 0.037 0.000 0.829 312 S HN 0.493 nan 8.310 nan 0.000 0.475 313 L N 0.283 121.541 121.223 0.057 0.000 2.145 313 L HA 0.274 4.620 4.340 0.009 0.000 0.201 313 L C 1.109 178.016 176.870 0.062 0.000 1.075 313 L CA 0.206 55.074 54.840 0.048 0.000 0.773 313 L CB -0.557 41.526 42.059 0.040 0.000 0.936 313 L HN 0.257 nan 8.230 nan 0.000 0.451 314 L N -0.096 121.191 121.223 0.107 0.000 2.482 314 L HA 0.153 4.499 4.340 0.009 0.000 0.273 314 L C 0.787 177.701 176.870 0.073 0.000 1.228 314 L CA -0.115 54.810 54.840 0.142 0.000 0.827 314 L CB -0.078 42.170 42.059 0.314 0.000 1.099 314 L HN 0.003 nan 8.230 nan 0.000 0.494 315 G N 0.698 109.516 108.800 0.030 0.000 2.601 315 G HA2 0.630 4.596 3.960 0.009 0.000 0.317 315 G HA3 0.630 4.596 3.960 0.009 0.000 0.317 315 G C -1.089 173.708 174.900 -0.172 0.000 1.246 315 G CA -0.669 44.399 45.100 -0.052 0.000 1.012 315 G HN 0.539 nan 8.290 nan 0.000 0.494 316 K N -0.897 119.391 120.400 -0.187 0.000 2.435 316 K HA 0.740 5.065 4.320 0.009 0.000 0.251 316 K C -0.820 175.700 176.600 -0.133 0.000 0.954 316 K CA -0.668 55.465 56.287 -0.257 0.000 0.820 316 K CB 2.644 34.948 32.500 -0.327 0.000 1.292 316 K HN 0.733 nan 8.250 nan 0.000 0.436 317 A N 0.807 123.559 122.820 -0.113 0.000 2.602 317 A HA 0.440 4.765 4.320 0.009 0.000 0.290 317 A C -0.012 177.541 177.584 -0.052 0.000 1.114 317 A CA -0.666 51.333 52.037 -0.064 0.000 0.683 317 A CB 1.824 20.800 19.000 -0.039 0.000 1.281 317 A HN 0.711 nan 8.150 nan 0.000 0.416 318 R N -0.452 120.026 120.500 -0.038 0.000 2.090 318 R HA 0.113 4.459 4.340 0.009 0.000 0.219 318 R C -0.331 175.955 176.300 -0.022 0.000 1.100 318 R CA 1.426 57.509 56.100 -0.029 0.000 0.991 318 R CB -0.000 30.284 30.300 -0.026 0.000 0.893 318 R HN 0.582 nan 8.270 nan 0.000 0.443 319 K N 0.218 120.604 120.400 -0.024 0.000 2.619 319 K HA 0.239 4.565 4.320 0.009 0.000 0.251 319 K C -1.857 174.725 176.600 -0.029 0.000 0.987 319 K CA -0.388 55.885 56.287 -0.023 0.000 0.844 319 K CB 1.918 34.403 32.500 -0.024 0.000 1.237 319 K HN -0.167 nan 8.250 nan 0.000 0.447 320 V N 4.447 124.345 119.914 -0.028 0.000 2.513 320 V HA 0.623 4.749 4.120 0.009 0.000 0.299 320 V C -0.855 175.215 176.094 -0.041 0.000 1.035 320 V CA -0.785 61.492 62.300 -0.038 0.000 0.889 320 V CB 1.873 33.678 31.823 -0.030 0.000 0.988 320 V HN 0.564 nan 8.190 nan 0.000 0.440 321 V N 5.517 125.394 119.914 -0.063 0.000 2.482 321 V HA 0.447 4.573 4.120 0.009 0.000 0.295 321 V C -0.518 175.527 176.094 -0.083 0.000 1.026 321 V CA -0.534 61.733 62.300 -0.055 0.000 0.856 321 V CB 1.996 33.785 31.823 -0.058 0.000 1.001 321 V HN 0.597 nan 8.190 nan 0.000 0.424 322 V N 4.365 124.259 119.914 -0.034 0.000 2.417 322 V HA 0.697 4.823 4.120 0.009 0.000 0.291 322 V C 0.577 176.651 176.094 -0.033 0.000 1.024 322 V CA -0.196 62.074 62.300 -0.049 0.000 0.861 322 V CB 1.716 33.566 31.823 0.045 0.000 0.985 322 V HN 0.994 nan 8.190 nan 0.000 0.436 323 T N 0.827 115.250 114.554 -0.217 0.000 2.797 323 T HA 0.354 4.710 4.350 0.009 0.000 0.267 323 T C 1.097 175.328 174.700 -0.780 0.000 0.986 323 T CA -0.398 61.535 62.100 -0.277 0.000 0.999 323 T CB 1.155 69.925 68.868 -0.164 0.000 1.508 323 T HN 0.435 nan 8.240 nan 0.000 0.595 324 K N 0.932 121.039 120.400 -0.489 0.000 2.097 324 K HA -0.103 4.222 4.320 0.009 0.000 0.206 324 K C -0.028 176.349 176.600 -0.373 0.000 1.049 324 K CA 1.928 57.943 56.287 -0.455 0.000 0.933 324 K CB -0.317 32.117 32.500 -0.110 0.000 0.717 324 K HN 0.844 nan 8.250 nan 0.000 0.442 325 D N -0.740 119.503 120.400 -0.262 0.000 3.256 325 D HA 0.184 4.830 4.640 0.009 0.000 0.332 325 D C -1.099 175.118 176.300 -0.138 0.000 1.327 325 D CA -0.273 53.633 54.000 -0.157 0.000 0.735 325 D CB 0.134 40.888 40.800 -0.077 0.000 1.280 325 D HN 0.069 nan 8.370 nan 0.000 0.572 326 E N -0.348 119.729 120.200 -0.204 0.000 2.478 326 E HA 0.311 4.666 4.350 0.009 0.000 0.293 326 E C -1.699 174.693 176.600 -0.346 0.000 1.011 326 E CA -0.326 55.932 56.400 -0.236 0.000 0.834 326 E CB 1.848 31.438 29.700 -0.185 0.000 1.226 326 E HN -0.012 nan 8.360 nan 0.000 0.419 327 T N 2.071 116.259 114.554 -0.610 0.000 2.848 327 T HA 0.557 4.913 4.350 0.009 0.000 0.285 327 T C -1.009 173.294 174.700 -0.662 0.000 0.995 327 T CA -0.572 61.111 62.100 -0.694 0.000 0.970 327 T CB 1.629 69.908 68.868 -0.981 0.000 0.976 327 T HN 0.298 nan 8.240 nan 0.000 0.441 328 T N 3.555 117.899 114.554 -0.351 0.000 2.841 328 T HA 0.581 4.937 4.350 0.009 0.000 0.285 328 T C -0.248 174.369 174.700 -0.139 0.000 0.991 328 T CA -0.511 61.453 62.100 -0.225 0.000 0.966 328 T CB 0.726 69.503 68.868 -0.152 0.000 0.962 328 T HN 0.431 nan 8.240 nan 0.000 0.438 329 I N 2.974 123.493 120.570 -0.086 0.000 2.339 329 I HA 0.384 4.560 4.170 0.009 0.000 0.290 329 I C -0.301 175.798 176.117 -0.029 0.000 0.994 329 I CA -1.044 60.234 61.300 -0.037 0.000 1.191 329 I CB 1.642 39.648 38.000 0.010 0.000 1.343 329 I HN 0.293 nan 8.210 nan 0.000 0.458 330 V N 6.366 126.261 119.914 -0.031 0.000 2.383 330 V HA 0.143 4.269 4.120 0.009 0.000 0.275 330 V C -0.035 176.045 176.094 -0.024 0.000 1.036 330 V CA -0.668 61.616 62.300 -0.027 0.000 0.889 330 V CB 0.752 32.558 31.823 -0.029 0.000 0.985 330 V HN 0.984 nan 8.190 nan 0.000 0.459 331 E N 2.671 122.858 120.200 -0.020 0.000 2.280 331 E HA -0.192 4.164 4.350 0.009 0.000 0.315 331 E C 0.399 176.983 176.600 -0.026 0.000 1.847 331 E CA 0.460 56.847 56.400 -0.021 0.000 1.170 331 E CB -0.946 28.741 29.700 -0.022 0.000 0.678 331 E HN 0.861 nan 8.360 nan 0.000 0.344 332 G N 2.332 111.118 108.800 -0.022 0.000 2.621 332 G HA2 0.470 4.436 3.960 0.009 0.000 0.271 332 G HA3 0.470 4.436 3.960 0.009 0.000 0.271 332 G C 0.654 175.532 174.900 -0.037 0.000 1.236 332 G CA -0.390 44.693 45.100 -0.029 0.000 0.958 332 G HN 0.964 nan 8.290 nan 0.000 0.512 333 A N -0.627 122.165 122.820 -0.047 0.000 2.465 333 A HA 0.600 4.925 4.320 0.009 0.000 0.255 333 A C 1.175 178.738 177.584 -0.036 0.000 1.274 333 A CA 0.519 52.526 52.037 -0.050 0.000 0.920 333 A CB -0.225 18.728 19.000 -0.077 0.000 1.033 333 A HN 1.063 nan 8.150 nan 0.000 0.516 334 G N 0.110 108.894 108.800 -0.027 0.000 2.503 334 G HA2 0.412 4.378 3.960 0.009 0.000 0.257 334 G HA3 0.412 4.378 3.960 0.009 0.000 0.257 334 G C -0.631 174.259 174.900 -0.016 0.000 1.214 334 G CA -0.395 44.694 45.100 -0.020 0.000 0.839 334 G HN 0.291 nan 8.290 nan 0.000 0.559 335 D N 0.740 121.132 120.400 -0.013 0.000 2.419 335 D HA 0.014 4.660 4.640 0.009 0.000 0.236 335 D C 1.513 177.807 176.300 -0.010 0.000 1.165 335 D CA 0.338 54.331 54.000 -0.011 0.000 0.882 335 D CB 0.935 41.730 40.800 -0.009 0.000 1.201 335 D HN 0.277 nan 8.370 nan 0.000 0.443 336 T N 1.066 115.614 114.554 -0.009 0.000 2.833 336 T HA -0.133 4.222 4.350 0.009 0.000 0.269 336 T C 1.023 175.719 174.700 -0.007 0.000 1.054 336 T CA 1.028 63.123 62.100 -0.008 0.000 1.135 336 T CB -0.026 68.838 68.868 -0.007 0.000 0.869 336 T HN 0.341 nan 8.240 nan 0.000 0.466 337 D N 1.480 121.876 120.400 -0.006 0.000 2.075 337 D HA 0.038 4.684 4.640 0.009 0.000 0.196 337 D C 2.432 178.729 176.300 -0.006 0.000 0.985 337 D CA 1.321 55.318 54.000 -0.006 0.000 0.834 337 D CB -0.753 40.044 40.800 -0.005 0.000 0.987 337 D HN 0.327 nan 8.370 nan 0.000 0.452 338 A N 0.887 123.703 122.820 -0.006 0.000 1.881 338 A HA -0.249 4.076 4.320 0.009 0.000 0.219 338 A C 2.398 179.978 177.584 -0.007 0.000 1.215 338 A CA 1.709 53.742 52.037 -0.006 0.000 0.648 338 A CB -1.135 17.861 19.000 -0.007 0.000 0.832 338 A HN 0.269 nan 8.150 nan 0.000 0.455 339 I N -0.529 120.037 120.570 -0.007 0.000 2.264 339 I HA -0.303 3.873 4.170 0.009 0.000 0.248 339 I C 2.920 179.033 176.117 -0.006 0.000 1.111 339 I CA 1.065 62.361 61.300 -0.007 0.000 1.382 339 I CB -0.312 37.684 38.000 -0.007 0.000 1.060 339 I HN 0.410 nan 8.210 nan 0.000 0.418 340 A N 0.757 123.573 122.820 -0.006 0.000 1.898 340 A HA -0.067 4.259 4.320 0.009 0.000 0.216 340 A C 2.434 180.014 177.584 -0.006 0.000 1.181 340 A CA 1.647 53.680 52.037 -0.006 0.000 0.620 340 A CB -1.309 17.688 19.000 -0.005 0.000 0.819 340 A HN 0.441 nan 8.150 nan 0.000 0.442 341 G N -0.580 108.217 108.800 -0.006 0.000 2.459 341 G HA2 -0.265 3.701 3.960 0.009 0.000 0.217 341 G HA3 -0.265 3.701 3.960 0.009 0.000 0.217 341 G C 1.752 176.648 174.900 -0.006 0.000 1.183 341 G CA 0.881 45.977 45.100 -0.006 0.000 0.776 341 G HN 0.345 nan 8.290 nan 0.000 0.552 342 R N 0.177 120.672 120.500 -0.007 0.000 2.117 342 R HA -0.065 4.281 4.340 0.009 0.000 0.243 342 R C 2.770 179.065 176.300 -0.009 0.000 1.143 342 R CA 1.131 57.226 56.100 -0.008 0.000 0.968 342 R CB -0.987 29.308 30.300 -0.009 0.000 0.863 342 R HN 0.347 nan 8.270 nan 0.000 0.444 343 V N 0.712 120.622 119.914 -0.008 0.000 2.295 343 V HA -0.243 3.882 4.120 0.009 0.000 0.246 343 V C 2.551 178.640 176.094 -0.008 0.000 1.049 343 V CA 1.900 64.196 62.300 -0.008 0.000 1.024 343 V CB -0.933 30.886 31.823 -0.007 0.000 0.648 343 V HN 0.368 nan 8.190 nan 0.000 0.447 344 A N -0.710 122.106 122.820 -0.007 0.000 1.845 344 A HA -0.335 3.990 4.320 0.009 0.000 0.215 344 A C 2.268 179.848 177.584 -0.006 0.000 1.195 344 A CA 2.257 54.290 52.037 -0.006 0.000 0.616 344 A CB -0.767 18.230 19.000 -0.005 0.000 0.832 344 A HN 0.584 nan 8.150 nan 0.000 0.443 345 Q N -0.454 119.342 119.800 -0.007 0.000 2.118 345 Q HA -0.237 4.109 4.340 0.009 0.000 0.211 345 Q C 1.980 177.975 176.000 -0.008 0.000 0.998 345 Q CA 2.285 58.084 55.803 -0.007 0.000 0.872 345 Q CB -0.304 28.429 28.738 -0.007 0.000 0.925 345 Q HN 0.741 nan 8.270 nan 0.000 0.414 346 I N -0.338 120.226 120.570 -0.010 0.000 2.286 346 I HA -0.243 3.933 4.170 0.009 0.000 0.245 346 I C 2.567 178.677 176.117 -0.012 0.000 1.104 346 I CA 0.919 62.212 61.300 -0.013 0.000 1.397 346 I CB -0.238 37.753 38.000 -0.016 0.000 1.072 346 I HN 0.158 nan 8.210 nan 0.000 0.417 347 R N 0.244 120.738 120.500 -0.010 0.000 2.096 347 R HA -0.160 4.186 4.340 0.009 0.000 0.235 347 R C 2.327 178.623 176.300 -0.007 0.000 1.127 347 R CA 1.103 57.197 56.100 -0.009 0.000 0.968 347 R CB -0.146 30.149 30.300 -0.007 0.000 0.861 347 R HN 0.406 nan 8.270 nan 0.000 0.440 348 Q N 0.195 119.992 119.800 -0.006 0.000 2.137 348 Q HA -0.129 4.217 4.340 0.009 0.000 0.198 348 Q C 1.820 177.817 176.000 -0.004 0.000 0.960 348 Q CA 1.026 56.826 55.803 -0.005 0.000 0.847 348 Q CB 0.022 28.758 28.738 -0.004 0.000 0.915 348 Q HN 0.422 nan 8.270 nan 0.000 0.448 349 E N 0.574 120.771 120.200 -0.006 0.000 2.118 349 E HA -0.172 4.184 4.350 0.009 0.000 0.195 349 E C 1.970 178.566 176.600 -0.006 0.000 0.992 349 E CA 0.753 57.149 56.400 -0.006 0.000 0.804 349 E CB -0.044 29.651 29.700 -0.008 0.000 0.741 349 E HN 0.295 nan 8.360 nan 0.000 0.458 350 I N 1.027 121.591 120.570 -0.009 0.000 2.361 350 I HA -0.223 3.953 4.170 0.009 0.000 0.251 350 I C 2.154 178.268 176.117 -0.005 0.000 1.133 350 I CA 0.867 62.161 61.300 -0.010 0.000 1.413 350 I CB -0.093 37.899 38.000 -0.013 0.000 1.073 350 I HN 0.070 nan 8.210 nan 0.000 0.424 351 E N 0.540 120.738 120.200 -0.004 0.000 2.216 351 E HA -0.068 4.287 4.350 0.009 0.000 0.192 351 E C 1.464 178.065 176.600 0.001 0.000 0.988 351 E CA 0.626 57.025 56.400 -0.001 0.000 0.834 351 E CB -0.294 29.405 29.700 -0.002 0.000 0.772 351 E HN 0.526 nan 8.360 nan 0.000 0.479 352 N N 0.468 119.169 118.700 0.001 0.000 2.467 352 N HA -0.036 4.710 4.740 0.009 0.000 0.184 352 N C 0.527 176.040 175.510 0.005 0.000 1.106 352 N CA 0.179 53.230 53.050 0.003 0.000 0.892 352 N CB 0.382 38.870 38.487 0.002 0.000 0.969 352 N HN -0.108 nan 8.380 nan 0.000 0.454 353 S N 0.750 116.453 115.700 0.005 0.000 2.578 353 S HA 0.195 4.670 4.470 0.009 0.000 0.283 353 S C 0.458 175.064 174.600 0.011 0.000 1.195 353 S CA -0.715 57.491 58.200 0.009 0.000 1.050 353 S CB 1.173 64.377 63.200 0.008 0.000 1.012 353 S HN 0.302 nan 8.310 nan 0.000 0.511 354 D N 1.447 121.856 120.400 0.016 0.000 2.498 354 D HA 0.071 4.716 4.640 0.009 0.000 0.223 354 D C -0.354 175.961 176.300 0.024 0.000 1.125 354 D CA -0.110 53.900 54.000 0.016 0.000 0.835 354 D CB -0.193 40.615 40.800 0.014 0.000 1.086 354 D HN 0.365 nan 8.370 nan 0.000 0.510 355 S N 1.974 117.695 115.700 0.034 0.000 2.488 355 S HA 0.054 4.530 4.470 0.009 0.000 0.278 355 S C 0.748 175.385 174.600 0.062 0.000 1.259 355 S CA -0.418 57.815 58.200 0.055 0.000 1.061 355 S CB 1.657 64.902 63.200 0.075 0.000 0.910 355 S HN 0.099 nan 8.310 nan 0.000 0.491 356 D N 1.664 122.106 120.400 0.070 0.000 2.117 356 D HA -0.146 4.500 4.640 0.009 0.000 0.198 356 D C 1.515 177.868 176.300 0.088 0.000 0.982 356 D CA 1.293 55.331 54.000 0.063 0.000 0.828 356 D CB -0.143 40.692 40.800 0.060 0.000 0.967 356 D HN 0.690 nan 8.370 nan 0.000 0.464 357 Y N 2.369 122.668 120.300 -0.003 0.000 2.070 357 Y HA -0.260 4.296 4.550 0.010 0.000 0.280 357 Y C 1.812 177.711 175.900 -0.001 0.000 1.148 357 Y CA 1.968 60.066 58.100 -0.004 0.000 1.125 357 Y CB -0.470 37.986 38.460 -0.006 0.000 0.975 357 Y HN -0.172 nan 8.280 nan 0.000 0.492 358 D N -0.422 119.998 120.400 0.033 0.000 2.133 358 D HA -0.213 4.432 4.640 0.009 0.000 0.192 358 D C 2.274 178.522 176.300 -0.087 0.000 1.001 358 D CA 2.084 56.052 54.000 -0.052 0.000 0.844 358 D CB -0.242 40.580 40.800 0.037 0.000 0.944 358 D HN 0.376 nan 8.370 nan 0.000 0.447 359 R N 0.215 120.690 120.500 -0.042 0.000 2.115 359 R HA -0.020 4.326 4.340 0.009 0.000 0.226 359 R C 2.172 178.434 176.300 -0.063 0.000 1.100 359 R CA 0.785 56.861 56.100 -0.041 0.000 0.980 359 R CB -0.088 30.204 30.300 -0.014 0.000 0.875 359 R HN 0.322 nan 8.270 nan 0.000 0.445 360 E N 1.096 121.245 120.200 -0.084 0.000 2.072 360 E HA -0.195 4.161 4.350 0.009 0.000 0.191 360 E C 1.894 178.414 176.600 -0.134 0.000 0.985 360 E CA 1.351 57.697 56.400 -0.091 0.000 0.801 360 E CB 0.087 29.738 29.700 -0.081 0.000 0.750 360 E HN 0.342 nan 8.360 nan 0.000 0.452 361 K N 0.651 120.915 120.400 -0.227 0.000 2.288 361 K HA -0.077 4.248 4.320 0.009 0.000 0.201 361 K C 1.956 178.478 176.600 -0.129 0.000 1.048 361 K CA 0.821 56.975 56.287 -0.222 0.000 0.956 361 K CB -0.022 32.260 32.500 -0.365 0.000 0.746 361 K HN 0.122 nan 8.250 nan 0.000 0.461 362 L N 1.014 122.174 121.223 -0.105 0.000 2.095 362 L HA -0.082 4.263 4.340 0.009 0.000 0.204 362 L C 2.766 179.607 176.870 -0.047 0.000 1.080 362 L CA 0.826 55.627 54.840 -0.065 0.000 0.759 362 L CB -0.313 41.716 42.059 -0.051 0.000 0.914 362 L HN 0.196 nan 8.230 nan 0.000 0.439 363 Q N -0.110 119.663 119.800 -0.046 0.000 2.124 363 Q HA -0.266 4.080 4.340 0.009 0.000 0.202 363 Q C 1.989 177.971 176.000 -0.030 0.000 0.977 363 Q CA 1.473 57.257 55.803 -0.032 0.000 0.850 363 Q CB -0.127 28.594 28.738 -0.028 0.000 0.901 363 Q HN 0.533 nan 8.270 nan 0.000 0.429 364 E N 0.584 120.760 120.200 -0.040 0.000 2.058 364 E HA -0.191 4.165 4.350 0.009 0.000 0.194 364 E C 1.910 178.496 176.600 -0.022 0.000 0.997 364 E CA 0.928 57.308 56.400 -0.032 0.000 0.801 364 E CB 0.131 29.803 29.700 -0.048 0.000 0.746 364 E HN 0.232 nan 8.360 nan 0.000 0.450 365 R N -0.066 120.415 120.500 -0.031 0.000 2.148 365 R HA -0.095 4.250 4.340 0.009 0.000 0.223 365 R C 2.421 178.712 176.300 -0.015 0.000 1.088 365 R CA 0.689 56.774 56.100 -0.023 0.000 0.985 365 R CB -0.222 30.058 30.300 -0.034 0.000 0.880 365 R HN 0.202 nan 8.270 nan 0.000 0.451 366 L N 0.736 121.949 121.223 -0.018 0.000 2.056 366 L HA -0.011 4.335 4.340 0.009 0.000 0.207 366 L C 2.126 178.992 176.870 -0.007 0.000 1.078 366 L CA 1.830 56.662 54.840 -0.013 0.000 0.749 366 L CB -0.736 41.314 42.059 -0.015 0.000 0.901 366 L HN 0.097 nan 8.230 nan 0.000 0.433 367 A N -0.606 122.210 122.820 -0.007 0.000 1.933 367 A HA -0.200 4.126 4.320 0.009 0.000 0.218 367 A C 2.305 179.891 177.584 0.003 0.000 1.175 367 A CA 1.728 53.764 52.037 -0.003 0.000 0.628 367 A CB -0.474 18.524 19.000 -0.003 0.000 0.814 367 A HN 0.513 nan 8.150 nan 0.000 0.444 368 K N -0.629 119.777 120.400 0.010 0.000 2.097 368 K HA 0.003 4.328 4.320 0.009 0.000 0.206 368 K C 1.819 178.430 176.600 0.017 0.000 1.049 368 K CA 1.160 57.461 56.287 0.022 0.000 0.933 368 K CB -0.253 32.272 32.500 0.041 0.000 0.717 368 K HN 0.458 nan 8.250 nan 0.000 0.442 369 L N -0.131 121.097 121.223 0.008 0.000 2.084 369 L HA -0.028 4.317 4.340 0.009 0.000 0.202 369 L C 2.382 179.252 176.870 0.001 0.000 1.074 369 L CA 0.744 55.587 54.840 0.005 0.000 0.757 369 L CB -0.253 41.806 42.059 -0.000 0.000 0.918 369 L HN 0.126 nan 8.230 nan 0.000 0.444 370 A N -0.364 122.455 122.820 -0.002 0.000 2.119 370 A HA 0.040 4.366 4.320 0.009 0.000 0.216 370 A C 2.181 179.763 177.584 -0.003 0.000 1.152 370 A CA 1.119 53.154 52.037 -0.003 0.000 0.708 370 A CB -0.752 18.245 19.000 -0.005 0.000 0.805 370 A HN 0.439 nan 8.150 nan 0.000 0.460 371 G N -0.591 108.208 108.800 -0.002 0.000 2.454 371 G HA2 0.362 4.327 3.960 0.009 0.000 0.214 371 G HA3 0.362 4.327 3.960 0.009 0.000 0.214 371 G C 1.162 176.060 174.900 -0.004 0.000 1.217 371 G CA 0.904 46.003 45.100 -0.003 0.000 0.799 371 G HN 1.701 nan 8.290 nan 0.000 0.538 372 G N -1.977 106.821 108.800 -0.003 0.000 2.512 372 G HA2 0.165 4.131 3.960 0.009 0.000 0.210 372 G HA3 0.165 4.131 3.960 0.009 0.000 0.210 372 G C -0.922 173.972 174.900 -0.009 0.000 1.295 372 G CA -0.221 44.876 45.100 -0.006 0.000 0.934 372 G HN 1.266 nan 8.290 nan 0.000 0.554 373 V N 0.112 120.018 119.914 -0.013 0.000 2.752 373 V HA 0.701 4.827 4.120 0.009 0.000 0.302 373 V C 0.519 176.602 176.094 -0.019 0.000 1.133 373 V CA -0.067 62.222 62.300 -0.018 0.000 0.919 373 V CB 1.218 33.027 31.823 -0.023 0.000 1.026 373 V HN 2.289 nan 8.190 nan 0.000 0.429 374 A N 3.964 126.773 122.820 -0.019 0.000 2.327 374 A HA 0.822 5.148 4.320 0.009 0.000 0.283 374 A C -0.505 177.066 177.584 -0.022 0.000 1.127 374 A CA -0.402 51.624 52.037 -0.018 0.000 0.810 374 A CB 1.132 20.122 19.000 -0.017 0.000 1.066 374 A HN 0.923 nan 8.150 nan 0.000 0.492 375 V N 4.520 124.422 119.914 -0.020 0.000 2.398 375 V HA 0.215 4.341 4.120 0.009 0.000 0.282 375 V C -0.363 175.720 176.094 -0.018 0.000 1.014 375 V CA -0.090 62.197 62.300 -0.022 0.000 0.838 375 V CB 0.905 32.715 31.823 -0.023 0.000 1.018 375 V HN 0.747 nan 8.190 nan 0.000 0.432 376 I N 5.151 125.711 120.570 -0.018 0.000 2.452 376 I HA 0.274 4.449 4.170 0.009 0.000 0.287 376 I C 0.437 176.546 176.117 -0.013 0.000 1.079 376 I CA -0.155 61.137 61.300 -0.013 0.000 1.387 376 I CB 0.511 38.503 38.000 -0.012 0.000 1.404 376 I HN 0.332 nan 8.210 nan 0.000 0.522 377 K N 6.243 126.636 120.400 -0.011 0.000 2.253 377 K HA 0.543 4.868 4.320 0.009 0.000 0.277 377 K C -0.451 176.145 176.600 -0.005 0.000 1.053 377 K CA -0.352 55.927 56.287 -0.013 0.000 0.892 377 K CB 1.810 34.300 32.500 -0.018 0.000 1.102 377 K HN 0.684 nan 8.250 nan 0.000 0.469 378 A N 2.789 125.608 122.820 -0.002 0.000 2.273 378 A HA 0.568 4.894 4.320 0.009 0.000 0.320 378 A C 0.322 177.914 177.584 0.012 0.000 1.358 378 A CA -0.578 51.465 52.037 0.010 0.000 0.910 378 A CB 0.729 19.738 19.000 0.016 0.000 1.159 378 A HN 0.646 nan 8.150 nan 0.000 0.526 379 G N 0.901 109.713 108.800 0.019 0.000 2.367 379 G HA2 0.725 4.691 3.960 0.009 0.000 0.314 379 G HA3 0.725 4.691 3.960 0.009 0.000 0.314 379 G C -0.102 174.837 174.900 0.066 0.000 1.130 379 G CA 0.315 45.429 45.100 0.024 0.000 0.864 379 G HN 1.477 nan 8.290 nan 0.000 0.486 380 A N 0.573 123.437 122.820 0.073 0.000 2.593 380 A HA 0.932 5.257 4.320 0.009 0.000 0.304 380 A C 0.574 178.225 177.584 0.111 0.000 1.233 380 A CA 0.424 52.516 52.037 0.093 0.000 0.661 380 A CB 0.567 19.602 19.000 0.059 0.000 1.338 380 A HN 1.675 nan 8.150 nan 0.000 0.495 381 A N -0.864 122.010 122.820 0.090 0.000 2.164 381 A HA 0.540 4.866 4.320 0.009 0.000 0.218 381 A C 1.310 178.925 177.584 0.051 0.000 2.050 381 A CA 1.420 53.508 52.037 0.085 0.000 0.910 381 A CB -1.129 17.917 19.000 0.077 0.000 1.391 381 A HN 2.005 nan 8.150 nan 0.000 0.614 382 T N -0.673 113.902 114.554 0.036 0.000 2.926 382 T HA 0.200 4.556 4.350 0.009 0.000 0.307 382 T C 0.515 175.228 174.700 0.021 0.000 1.059 382 T CA 0.640 62.753 62.100 0.023 0.000 1.122 382 T CB 0.877 69.753 68.868 0.014 0.000 0.972 382 T HN 0.430 nan 8.240 nan 0.000 0.545 383 E N 1.301 121.510 120.200 0.015 0.000 2.150 383 E HA -0.079 4.277 4.350 0.009 0.000 0.193 383 E C 2.178 178.782 176.600 0.007 0.000 0.985 383 E CA 0.799 57.206 56.400 0.013 0.000 0.814 383 E CB -0.171 29.535 29.700 0.009 0.000 0.752 383 E HN 0.601 nan 8.360 nan 0.000 0.466 384 V N 1.409 121.324 119.914 0.001 0.000 2.332 384 V HA -0.271 3.855 4.120 0.009 0.000 0.248 384 V C 2.308 178.399 176.094 -0.006 0.000 1.055 384 V CA 2.020 64.314 62.300 -0.009 0.000 1.038 384 V CB -0.405 31.412 31.823 -0.010 0.000 0.651 384 V HN 0.288 nan 8.190 nan 0.000 0.450 385 E N -0.412 119.792 120.200 0.006 0.000 2.122 385 E HA -0.151 4.205 4.350 0.009 0.000 0.190 385 E C 2.172 178.787 176.600 0.025 0.000 0.977 385 E CA 0.617 57.025 56.400 0.013 0.000 0.820 385 E CB 0.024 29.735 29.700 0.018 0.000 0.770 385 E HN 0.422 nan 8.360 nan 0.000 0.462 386 L N 1.734 122.974 121.223 0.028 0.000 2.012 386 L HA -0.182 4.163 4.340 0.009 0.000 0.210 386 L C 2.102 179.002 176.870 0.049 0.000 1.073 386 L CA 1.760 56.622 54.840 0.036 0.000 0.748 386 L CB -0.244 41.833 42.059 0.031 0.000 0.891 386 L HN -0.050 nan 8.230 nan 0.000 0.431 387 K N -0.579 119.847 120.400 0.044 0.000 2.211 387 K HA -0.085 4.240 4.320 0.009 0.000 0.203 387 K C 1.928 178.583 176.600 0.093 0.000 1.050 387 K CA 0.813 57.144 56.287 0.073 0.000 0.945 387 K CB -0.050 32.462 32.500 0.019 0.000 0.732 387 K HN 0.385 nan 8.250 nan 0.000 0.451 388 E N 0.392 120.608 120.200 0.028 0.000 2.140 388 E HA -0.040 4.316 4.350 0.009 0.000 0.191 388 E C 2.022 178.670 176.600 0.079 0.000 0.973 388 E CA 0.439 56.850 56.400 0.018 0.000 0.829 388 E CB -0.045 29.643 29.700 -0.019 0.000 0.781 388 E HN 0.188 nan 8.360 nan 0.000 0.466 389 R N 1.185 121.723 120.500 0.063 0.000 2.081 389 R HA -0.068 4.278 4.340 0.009 0.000 0.235 389 R C 2.105 178.447 176.300 0.070 0.000 1.131 389 R CA 1.322 57.456 56.100 0.057 0.000 0.960 389 R CB 0.004 30.330 30.300 0.043 0.000 0.856 389 R HN -0.082 nan 8.270 nan 0.000 0.436 390 K N -0.975 119.481 120.400 0.093 0.000 2.555 390 K HA -0.130 4.196 4.320 0.009 0.000 0.193 390 K C 0.590 177.229 176.600 0.065 0.000 1.032 390 K CA 0.994 57.327 56.287 0.076 0.000 1.004 390 K CB 0.137 32.687 32.500 0.083 0.000 0.804 390 K HN 0.298 nan 8.250 nan 0.000 0.496 391 H N -1.512 117.557 119.070 -0.001 0.000 2.800 391 H HA 0.213 4.774 4.556 0.009 0.000 0.257 391 H C 1.551 176.878 175.328 -0.001 0.000 0.967 391 H CA 0.105 56.152 56.048 -0.001 0.000 1.192 391 H CB 0.539 30.301 29.762 -0.001 0.000 1.441 391 H HN -0.012 nan 8.280 nan 0.000 0.461 392 R N 0.359 120.930 120.500 0.118 0.000 2.080 392 R HA -0.094 4.252 4.340 0.009 0.000 0.236 392 R C 1.786 178.105 176.300 0.031 0.000 1.137 392 R CA 1.896 58.033 56.100 0.062 0.000 0.943 392 R CB -0.285 30.043 30.300 0.046 0.000 0.846 392 R HN 0.278 nan 8.270 nan 0.000 0.431 393 I N 0.454 121.036 120.570 0.020 0.000 2.179 393 I HA -0.247 3.929 4.170 0.009 0.000 0.242 393 I C 2.183 178.290 176.117 -0.017 0.000 1.088 393 I CA 1.399 62.699 61.300 0.001 0.000 1.357 393 I CB -0.472 37.527 38.000 -0.001 0.000 1.051 393 I HN 0.219 nan 8.210 nan 0.000 0.409 394 E N 0.989 121.165 120.200 -0.040 0.000 2.049 394 E HA -0.265 4.091 4.350 0.009 0.000 0.198 394 E C 1.847 178.419 176.600 -0.047 0.000 1.007 394 E CA 1.653 58.010 56.400 -0.071 0.000 0.809 394 E CB -0.143 29.465 29.700 -0.152 0.000 0.749 394 E HN 0.440 nan 8.360 nan 0.000 0.450 395 D N -0.045 120.338 120.400 -0.028 0.000 2.144 395 D HA -0.128 4.518 4.640 0.009 0.000 0.199 395 D C 1.851 178.149 176.300 -0.004 0.000 0.984 395 D CA 1.158 55.154 54.000 -0.006 0.000 0.834 395 D CB -0.131 40.682 40.800 0.022 0.000 0.955 395 D HN 0.156 nan 8.370 nan 0.000 0.465 396 A N 0.632 123.451 122.820 -0.002 0.000 1.858 396 A HA -0.151 4.175 4.320 0.009 0.000 0.216 396 A C 2.579 180.159 177.584 -0.007 0.000 1.190 396 A CA 1.459 53.496 52.037 -0.001 0.000 0.617 396 A CB -0.860 18.140 19.000 0.001 0.000 0.827 396 A HN 0.141 nan 8.150 nan 0.000 0.443 397 V N 1.640 121.547 119.914 -0.013 0.000 2.282 397 V HA -0.364 3.761 4.120 0.009 0.000 0.249 397 V C 2.700 178.786 176.094 -0.015 0.000 1.057 397 V CA 2.518 64.809 62.300 -0.016 0.000 1.032 397 V CB -1.161 30.648 31.823 -0.023 0.000 0.645 397 V HN 0.785 nan 8.190 nan 0.000 0.447 398 R N 0.789 121.279 120.500 -0.017 0.000 2.148 398 R HA -0.085 4.261 4.340 0.009 0.000 0.223 398 R C 1.842 178.138 176.300 -0.008 0.000 1.088 398 R CA 1.867 57.958 56.100 -0.014 0.000 0.985 398 R CB -0.764 29.525 30.300 -0.018 0.000 0.880 398 R HN 0.590 nan 8.270 nan 0.000 0.451 399 N N 1.437 120.133 118.700 -0.005 0.000 2.135 399 N HA -0.076 4.669 4.740 0.009 0.000 0.186 399 N C 1.986 177.495 175.510 -0.002 0.000 1.027 399 N CA 1.135 54.184 53.050 -0.002 0.000 0.849 399 N CB -0.138 38.350 38.487 0.001 0.000 1.002 399 N HN 0.291 nan 8.380 nan 0.000 0.425 400 A N 1.802 124.621 122.820 -0.003 0.000 1.865 400 A HA -0.214 4.112 4.320 0.009 0.000 0.217 400 A C 1.968 179.550 177.584 -0.003 0.000 1.191 400 A CA 1.594 53.630 52.037 -0.003 0.000 0.623 400 A CB -0.524 18.474 19.000 -0.004 0.000 0.826 400 A HN 0.184 nan 8.150 nan 0.000 0.444 401 K N -0.432 119.965 120.400 -0.005 0.000 2.160 401 K HA -0.144 4.181 4.320 0.009 0.000 0.206 401 K C 2.136 178.734 176.600 -0.003 0.000 1.047 401 K CA 1.309 57.593 56.287 -0.005 0.000 0.930 401 K CB -0.304 32.191 32.500 -0.008 0.000 0.720 401 K HN 0.501 nan 8.250 nan 0.000 0.450 402 A N 0.942 123.761 122.820 -0.003 0.000 1.935 402 A HA 0.079 4.404 4.320 0.009 0.000 0.214 402 A C 2.318 179.902 177.584 0.001 0.000 1.178 402 A CA 1.214 53.251 52.037 -0.001 0.000 0.640 402 A CB -0.500 18.500 19.000 -0.000 0.000 0.825 402 A HN 0.283 nan 8.150 nan 0.000 0.447 403 A N -0.350 122.470 122.820 0.001 0.000 1.902 403 A HA -0.039 4.287 4.320 0.009 0.000 0.217 403 A C 2.159 179.744 177.584 0.002 0.000 1.181 403 A CA 1.812 53.850 52.037 0.002 0.000 0.623 403 A CB -0.910 18.092 19.000 0.002 0.000 0.818 403 A HN 0.377 nan 8.150 nan 0.000 0.443 404 V N -0.010 119.905 119.914 0.001 0.000 2.490 404 V HA -0.249 3.876 4.120 0.009 0.000 0.250 404 V C 2.368 178.463 176.094 0.001 0.000 1.061 404 V CA 2.246 64.546 62.300 0.001 0.000 1.064 404 V CB -0.705 31.117 31.823 -0.001 0.000 0.670 404 V HN 0.645 nan 8.190 nan 0.000 0.461 405 E N -0.335 119.866 120.200 0.001 0.000 2.072 405 E HA -0.134 4.222 4.350 0.009 0.000 0.190 405 E C 1.628 178.229 176.600 0.003 0.000 0.982 405 E CA 1.230 57.631 56.400 0.002 0.000 0.803 405 E CB 0.073 29.774 29.700 0.002 0.000 0.755 405 E HN 0.650 nan 8.360 nan 0.000 0.453 406 E N -0.950 119.252 120.200 0.003 0.000 2.676 406 E HA 0.231 4.587 4.350 0.009 0.000 0.225 406 E C 0.021 176.623 176.600 0.004 0.000 0.944 406 E CA 0.099 56.501 56.400 0.004 0.000 1.156 406 E CB 1.793 31.495 29.700 0.004 0.000 1.117 406 E HN 0.213 nan 8.360 nan 0.000 0.523 407 G N 1.592 110.394 108.800 0.004 0.000 2.710 407 G HA2 -0.200 3.766 3.960 0.009 0.000 0.668 407 G HA3 -0.200 3.766 3.960 0.009 0.000 0.668 407 G C -0.918 173.986 174.900 0.005 0.000 1.320 407 G CA -0.486 44.617 45.100 0.005 0.000 0.860 407 G HN 0.126 nan 8.290 nan 0.000 0.538 408 I N -0.968 119.606 120.570 0.007 0.000 2.957 408 I HA 0.873 5.049 4.170 0.009 0.000 0.310 408 I C -0.104 176.019 176.117 0.010 0.000 1.063 408 I CA -1.194 60.110 61.300 0.008 0.000 1.033 408 I CB 1.997 40.001 38.000 0.007 0.000 1.230 408 I HN 0.976 nan 8.210 nan 0.000 0.447 409 V N 3.784 123.705 119.914 0.011 0.000 3.232 409 V HA 0.695 4.820 4.120 0.009 0.000 0.303 409 V C -0.654 175.451 176.094 0.017 0.000 1.311 409 V CA -0.472 61.837 62.300 0.014 0.000 1.061 409 V CB 2.135 33.966 31.823 0.012 0.000 1.085 409 V HN 0.883 nan 8.190 nan 0.000 0.447 410 A N 1.800 124.634 122.820 0.023 0.000 2.546 410 A HA 0.580 4.906 4.320 0.009 0.000 0.243 410 A C 0.828 178.425 177.584 0.020 0.000 1.063 410 A CA 0.854 52.908 52.037 0.028 0.000 0.757 410 A CB -0.149 18.877 19.000 0.043 0.000 0.991 410 A HN 1.653 nan 8.150 nan 0.000 0.503 411 G N 0.878 109.687 108.800 0.015 0.000 2.666 411 G HA2 0.490 4.456 3.960 0.009 0.000 0.207 411 G HA3 0.490 4.456 3.960 0.009 0.000 0.207 411 G C 1.162 176.067 174.900 0.007 0.000 1.481 411 G CA 0.033 45.138 45.100 0.009 0.000 1.071 411 G HN 2.228 nan 8.290 nan 0.000 0.572 412 G N -1.242 107.558 108.800 -0.001 0.000 2.361 412 G HA2 0.221 4.186 3.960 0.009 0.000 0.294 412 G HA3 0.221 4.186 3.960 0.009 0.000 0.294 412 G C 1.318 176.220 174.900 0.004 0.000 1.004 412 G CA 1.182 46.279 45.100 -0.006 0.000 0.870 412 G HN 2.313 nan 8.290 nan 0.000 0.510 413 G N -2.616 106.189 108.800 0.009 0.000 2.393 413 G HA2 -0.045 3.921 3.960 0.009 0.000 0.299 413 G HA3 -0.045 3.921 3.960 0.009 0.000 0.299 413 G C 0.917 175.829 174.900 0.020 0.000 0.990 413 G CA 0.605 45.713 45.100 0.013 0.000 1.118 413 G HN 1.422 nan 8.290 nan 0.000 0.513 414 V N -0.746 119.182 119.914 0.024 0.000 3.379 414 V HA 0.015 4.141 4.120 0.009 0.000 0.249 414 V C 2.568 178.680 176.094 0.029 0.000 1.184 414 V CA 1.984 64.304 62.300 0.034 0.000 1.106 414 V CB 0.229 32.080 31.823 0.046 0.000 0.826 414 V HN 0.470 nan 8.190 nan 0.000 0.465 415 T N 0.748 115.316 114.554 0.023 0.000 2.896 415 T HA 0.041 4.397 4.350 0.009 0.000 0.263 415 T C 1.869 176.577 174.700 0.014 0.000 1.050 415 T CA 1.109 63.220 62.100 0.018 0.000 1.140 415 T CB -0.118 68.759 68.868 0.015 0.000 0.877 415 T HN 0.232 nan 8.240 nan 0.000 0.457 416 L N 0.499 121.729 121.223 0.013 0.000 2.201 416 L HA -0.002 4.344 4.340 0.009 0.000 0.212 416 L C 2.283 179.159 176.870 0.010 0.000 1.105 416 L CA 0.530 55.376 54.840 0.010 0.000 0.775 416 L CB -0.408 41.656 42.059 0.008 0.000 0.913 416 L HN 0.223 nan 8.230 nan 0.000 0.440 417 L N -0.240 120.991 121.223 0.015 0.000 2.007 417 L HA -0.162 4.184 4.340 0.009 0.000 0.205 417 L C 2.343 179.221 176.870 0.014 0.000 1.073 417 L CA 1.673 56.523 54.840 0.016 0.000 0.744 417 L CB -0.595 41.479 42.059 0.024 0.000 0.898 417 L HN 0.193 nan 8.230 nan 0.000 0.435 418 Q N -0.383 119.426 119.800 0.015 0.000 2.561 418 Q HA -0.066 4.280 4.340 0.009 0.000 0.217 418 Q C 1.679 177.683 176.000 0.005 0.000 0.980 418 Q CA 0.764 56.573 55.803 0.010 0.000 0.927 418 Q CB -0.220 28.523 28.738 0.010 0.000 0.980 418 Q HN 0.686 nan 8.270 nan 0.000 0.525 419 A N 0.294 123.118 122.820 0.006 0.000 2.115 419 A HA 0.283 4.609 4.320 0.009 0.000 0.211 419 A C 2.221 179.807 177.584 0.003 0.000 1.169 419 A CA 0.688 52.728 52.037 0.004 0.000 0.787 419 A CB -0.083 18.920 19.000 0.005 0.000 0.858 419 A HN 0.327 nan 8.150 nan 0.000 0.474 420 A N 1.211 124.033 122.820 0.004 0.000 1.917 420 A HA -0.079 4.246 4.320 0.009 0.000 0.219 420 A C 0.087 177.673 177.584 0.002 0.000 1.182 420 A CA 2.028 54.067 52.037 0.003 0.000 0.633 420 A CB -1.684 17.318 19.000 0.004 0.000 0.819 420 A HN 0.423 nan 8.150 nan 0.000 0.448 421 P HA -0.116 nan 4.420 nan 0.000 0.218 421 P C 1.266 178.566 177.300 -0.000 0.000 1.146 421 P CA 1.711 64.811 63.100 0.000 0.000 0.813 421 P CB -0.337 31.363 31.700 -0.001 0.000 0.778 422 T N -0.588 113.966 114.554 0.000 0.000 2.849 422 T HA -0.115 4.240 4.350 0.009 0.000 0.270 422 T C 1.577 176.278 174.700 0.001 0.000 1.066 422 T CA 0.949 63.049 62.100 0.000 0.000 1.130 422 T CB -0.819 68.049 68.868 0.001 0.000 0.864 422 T HN 0.145 nan 8.240 nan 0.000 0.481 423 L N 0.951 122.175 121.223 0.001 0.000 2.376 423 L HA -0.039 4.306 4.340 0.009 0.000 0.219 423 L C 2.037 178.907 176.870 0.001 0.000 1.133 423 L CA 0.720 55.561 54.840 0.002 0.000 0.816 423 L CB -0.420 41.640 42.059 0.002 0.000 0.933 423 L HN 0.162 nan 8.230 nan 0.000 0.449 424 D N 0.196 120.597 120.400 0.001 0.000 2.269 424 D HA -0.149 4.496 4.640 0.009 0.000 0.208 424 D C 1.556 177.857 176.300 0.000 0.000 0.963 424 D CA 0.839 54.839 54.000 0.000 0.000 0.864 424 D CB 0.025 40.825 40.800 -0.000 0.000 0.936 424 D HN 0.466 nan 8.370 nan 0.000 0.505 425 E N -0.090 120.111 120.200 0.000 0.000 2.516 425 E HA -0.018 4.338 4.350 0.009 0.000 0.199 425 E C 0.159 176.760 176.600 0.001 0.000 1.069 425 E CA -0.086 56.315 56.400 0.000 0.000 0.876 425 E CB 0.257 29.957 29.700 0.000 0.000 0.843 425 E HN 0.053 nan 8.360 nan 0.000 0.530 426 L N 1.505 122.728 121.223 0.001 0.000 2.294 426 L HA 0.214 4.560 4.340 0.009 0.000 0.283 426 L C -0.746 176.125 176.870 0.002 0.000 1.015 426 L CA -0.419 54.422 54.840 0.002 0.000 0.831 426 L CB 1.023 43.084 42.059 0.002 0.000 1.217 426 L HN -0.308 nan 8.230 nan 0.000 0.420 427 K N 6.116 126.517 120.400 0.002 0.000 2.292 427 K HA 0.488 4.813 4.320 0.009 0.000 0.290 427 K C -1.182 175.419 176.600 0.002 0.000 1.083 427 K CA -0.036 56.252 56.287 0.002 0.000 0.918 427 K CB 0.455 32.956 32.500 0.002 0.000 1.089 427 K HN 0.503 nan 8.250 nan 0.000 0.473 428 L N 2.723 123.947 121.223 0.003 0.000 2.370 428 L HA 0.406 4.751 4.340 0.009 0.000 0.266 428 L C -0.603 176.269 176.870 0.003 0.000 1.002 428 L CA -0.914 53.928 54.840 0.003 0.000 0.818 428 L CB 2.144 44.205 42.059 0.004 0.000 1.325 428 L HN 0.456 nan 8.230 nan 0.000 0.418 429 E N 0.515 120.717 120.200 0.003 0.000 2.212 429 E HA 0.707 5.063 4.350 0.009 0.000 0.268 429 E C 0.399 177.001 176.600 0.004 0.000 0.902 429 E CA 0.176 56.578 56.400 0.003 0.000 0.779 429 E CB 1.872 31.574 29.700 0.003 0.000 1.172 429 E HN 0.736 nan 8.360 nan 0.000 0.409 430 G N 2.821 111.623 108.800 0.004 0.000 2.591 430 G HA2 -0.378 3.588 3.960 0.009 0.000 0.298 430 G HA3 -0.378 3.588 3.960 0.009 0.000 0.298 430 G C 0.489 175.392 174.900 0.006 0.000 1.195 430 G CA 0.390 45.493 45.100 0.005 0.000 0.989 430 G HN 0.656 nan 8.290 nan 0.000 0.551 431 D N 0.993 121.397 120.400 0.007 0.000 2.269 431 D HA 0.037 4.682 4.640 0.009 0.000 0.208 431 D C 2.207 178.512 176.300 0.008 0.000 0.963 431 D CA 1.413 55.418 54.000 0.008 0.000 0.864 431 D CB -0.091 40.715 40.800 0.010 0.000 0.936 431 D HN 0.522 nan 8.370 nan 0.000 0.505 432 E N 0.994 121.198 120.200 0.007 0.000 2.204 432 E HA -0.035 4.321 4.350 0.009 0.000 0.194 432 E C 2.025 178.628 176.600 0.006 0.000 0.989 432 E CA 0.773 57.177 56.400 0.007 0.000 0.824 432 E CB -0.148 29.555 29.700 0.006 0.000 0.756 432 E HN 0.235 nan 8.360 nan 0.000 0.477 433 A N -0.185 122.638 122.820 0.005 0.000 1.930 433 A HA -0.077 4.249 4.320 0.009 0.000 0.215 433 A C 2.241 179.828 177.584 0.005 0.000 1.176 433 A CA 1.551 53.591 52.037 0.005 0.000 0.632 433 A CB -0.573 18.429 19.000 0.004 0.000 0.819 433 A HN 0.228 nan 8.150 nan 0.000 0.445 434 T N -0.153 114.405 114.554 0.006 0.000 2.812 434 T HA -0.001 4.354 4.350 0.009 0.000 0.264 434 T C 2.017 176.721 174.700 0.007 0.000 1.042 434 T CA 1.250 63.354 62.100 0.006 0.000 1.140 434 T CB -0.639 68.234 68.868 0.008 0.000 0.870 434 T HN 0.531 nan 8.240 nan 0.000 0.445 435 G N 1.294 110.099 108.800 0.008 0.000 2.440 435 G HA2 -0.106 3.860 3.960 0.009 0.000 0.218 435 G HA3 -0.106 3.860 3.960 0.009 0.000 0.218 435 G C 1.749 176.653 174.900 0.006 0.000 1.154 435 G CA 0.911 46.017 45.100 0.009 0.000 0.767 435 G HN 0.595 nan 8.290 nan 0.000 0.552 436 A N 0.331 123.154 122.820 0.005 0.000 2.067 436 A HA 0.075 4.400 4.320 0.009 0.000 0.217 436 A C 2.138 179.724 177.584 0.003 0.000 1.156 436 A CA 1.189 53.228 52.037 0.004 0.000 0.683 436 A CB -0.191 18.811 19.000 0.004 0.000 0.808 436 A HN 0.357 nan 8.150 nan 0.000 0.455 437 N N -0.297 118.405 118.700 0.003 0.000 2.424 437 N HA 0.095 4.841 4.740 0.009 0.000 0.178 437 N C 1.465 176.975 175.510 0.000 0.000 1.060 437 N CA 0.530 53.581 53.050 0.002 0.000 0.901 437 N CB 0.024 38.512 38.487 0.002 0.000 0.979 437 N HN 0.507 nan 8.380 nan 0.000 0.451 438 I N 0.422 120.992 120.570 0.000 0.000 2.353 438 I HA -0.172 4.004 4.170 0.009 0.000 0.248 438 I C 2.034 178.148 176.117 -0.005 0.000 1.119 438 I CA 0.677 61.976 61.300 -0.002 0.000 1.417 438 I CB -0.034 37.965 38.000 -0.001 0.000 1.078 438 I HN -0.127 nan 8.210 nan 0.000 0.421 439 V N 0.989 120.901 119.914 -0.002 0.000 2.358 439 V HA -0.253 3.872 4.120 0.009 0.000 0.246 439 V C 2.371 178.464 176.094 -0.002 0.000 1.047 439 V CA 1.656 63.955 62.300 -0.002 0.000 1.035 439 V CB -0.721 31.103 31.823 0.000 0.000 0.658 439 V HN 0.377 nan 8.190 nan 0.000 0.452 440 K N -0.189 120.210 120.400 -0.001 0.000 2.160 440 K HA -0.169 4.156 4.320 0.009 0.000 0.206 440 K C 1.998 178.598 176.600 -0.001 0.000 1.047 440 K CA 1.523 57.810 56.287 -0.000 0.000 0.930 440 K CB -0.337 32.164 32.500 0.001 0.000 0.720 440 K HN 0.393 nan 8.250 nan 0.000 0.450 441 V N 0.745 120.657 119.914 -0.003 0.000 2.374 441 V HA -0.091 4.034 4.120 0.009 0.000 0.241 441 V C 2.285 178.374 176.094 -0.009 0.000 1.034 441 V CA 1.593 63.889 62.300 -0.006 0.000 1.037 441 V CB -0.448 31.370 31.823 -0.008 0.000 0.682 441 V HN 0.284 nan 8.190 nan 0.000 0.463 442 A N 0.012 122.825 122.820 -0.012 0.000 1.986 442 A HA -0.198 4.127 4.320 0.009 0.000 0.220 442 A C 2.169 179.747 177.584 -0.010 0.000 1.171 442 A CA 1.766 53.793 52.037 -0.016 0.000 0.640 442 A CB -0.657 18.332 19.000 -0.018 0.000 0.811 442 A HN 0.524 nan 8.150 nan 0.000 0.451 443 L N -0.332 120.888 121.223 -0.005 0.000 2.275 443 L HA -0.174 4.171 4.340 0.009 0.000 0.215 443 L C 2.353 179.225 176.870 0.003 0.000 1.119 443 L CA 1.550 56.389 54.840 -0.001 0.000 0.790 443 L CB -0.443 41.617 42.059 0.002 0.000 0.919 443 L HN 0.739 nan 8.230 nan 0.000 0.443 444 E N -0.234 119.968 120.200 0.002 0.000 2.479 444 E HA 0.063 4.419 4.350 0.009 0.000 0.193 444 E C 1.896 178.499 176.600 0.005 0.000 1.049 444 E CA 0.561 56.965 56.400 0.008 0.000 0.870 444 E CB 0.165 29.871 29.700 0.010 0.000 0.944 444 E HN 0.315 nan 8.360 nan 0.000 0.492 445 A N 2.663 125.480 122.820 -0.004 0.000 1.845 445 A HA -0.048 4.278 4.320 0.009 0.000 0.215 445 A C -0.104 177.479 177.584 -0.003 0.000 1.195 445 A CA 1.117 53.148 52.037 -0.011 0.000 0.616 445 A CB -1.415 17.572 19.000 -0.023 0.000 0.832 445 A HN 0.236 nan 8.150 nan 0.000 0.443 446 P HA -0.192 nan 4.420 nan 0.000 0.216 446 P C 1.721 179.030 177.300 0.016 0.000 1.157 446 P CA 1.288 64.392 63.100 0.007 0.000 0.880 446 P CB -0.107 31.596 31.700 0.006 0.000 0.791 447 L N -0.264 120.970 121.223 0.020 0.000 2.017 447 L HA -0.135 4.210 4.340 0.009 0.000 0.208 447 L C 2.099 178.993 176.870 0.040 0.000 1.073 447 L CA 2.039 56.896 54.840 0.028 0.000 0.745 447 L CB -1.046 41.033 42.059 0.033 0.000 0.894 447 L HN -0.222 nan 8.230 nan 0.000 0.432 448 K N -1.056 119.366 120.400 0.037 0.000 2.152 448 K HA -0.247 4.079 4.320 0.009 0.000 0.206 448 K C 2.154 178.794 176.600 0.067 0.000 1.048 448 K CA 1.551 57.866 56.287 0.046 0.000 0.933 448 K CB -0.119 32.393 32.500 0.020 0.000 0.721 448 K HN 0.346 nan 8.250 nan 0.000 0.447 449 Q N 1.165 120.995 119.800 0.049 0.000 2.049 449 Q HA -0.053 4.292 4.340 0.009 0.000 0.198 449 Q C 1.732 177.799 176.000 0.112 0.000 0.971 449 Q CA 1.452 57.299 55.803 0.074 0.000 0.833 449 Q CB -0.111 28.648 28.738 0.034 0.000 0.896 449 Q HN 0.292 nan 8.270 nan 0.000 0.434 450 I N 0.516 121.125 120.570 0.066 0.000 2.163 450 I HA -0.322 3.854 4.170 0.009 0.000 0.243 450 I C 2.278 178.428 176.117 0.055 0.000 1.085 450 I CA 1.065 62.393 61.300 0.047 0.000 1.347 450 I CB -0.670 37.340 38.000 0.017 0.000 1.044 450 I HN 0.326 nan 8.210 nan 0.000 0.408 451 A N 0.879 123.740 122.820 0.070 0.000 1.884 451 A HA -0.313 4.013 4.320 0.009 0.000 0.219 451 A C 2.263 179.914 177.584 0.110 0.000 1.197 451 A CA 2.058 54.142 52.037 0.078 0.000 0.637 451 A CB -1.180 17.878 19.000 0.098 0.000 0.827 451 A HN 0.464 nan 8.150 nan 0.000 0.450 452 F N 1.642 121.592 119.950 -0.000 0.000 2.102 452 F HA -0.163 4.370 4.527 0.009 0.000 0.298 452 F C 1.612 177.409 175.800 -0.004 0.000 1.105 452 F CA 1.961 59.960 58.000 -0.001 0.000 1.239 452 F CB -0.282 38.717 39.000 -0.002 0.000 0.991 452 F HN 0.248 nan 8.300 nan 0.000 0.474 453 N N -0.256 118.458 118.700 0.022 0.000 2.626 453 N HA -0.103 4.642 4.740 0.009 0.000 0.193 453 N C 1.519 176.963 175.510 -0.111 0.000 1.213 453 N CA 0.934 53.935 53.050 -0.082 0.000 0.914 453 N CB -0.035 38.463 38.487 0.018 0.000 0.994 453 N HN 0.261 nan 8.380 nan 0.000 0.447 454 S N -0.984 114.650 115.700 -0.111 0.000 2.526 454 S HA 0.290 4.766 4.470 0.009 0.000 0.220 454 S C 1.220 175.752 174.600 -0.114 0.000 1.017 454 S CA 0.535 58.681 58.200 -0.089 0.000 0.930 454 S CB 0.141 63.309 63.200 -0.053 0.000 0.856 454 S HN 0.459 nan 8.310 nan 0.000 0.497 455 G N 0.952 109.643 108.800 -0.181 0.000 2.141 455 G HA2 -0.164 3.802 3.960 0.009 0.000 0.231 455 G HA3 -0.164 3.802 3.960 0.009 0.000 0.231 455 G C -0.434 174.414 174.900 -0.086 0.000 0.984 455 G CA 0.262 45.258 45.100 -0.174 0.000 0.660 455 G HN 0.411 nan 8.290 nan 0.000 0.525 456 L N 0.743 121.941 121.223 -0.042 0.000 2.334 456 L HA 0.579 4.924 4.340 0.009 0.000 0.275 456 L C 0.642 177.555 176.870 0.072 0.000 1.036 456 L CA -1.111 53.743 54.840 0.023 0.000 0.807 456 L CB 1.481 43.566 42.059 0.044 0.000 1.231 456 L HN 0.117 nan 8.230 nan 0.000 0.438 457 E N 3.995 124.244 120.200 0.082 0.000 2.292 457 E HA 0.023 4.378 4.350 0.009 0.000 0.265 457 E C -1.807 174.862 176.600 0.115 0.000 1.093 457 E CA -1.309 55.157 56.400 0.109 0.000 0.922 457 E CB 1.058 30.805 29.700 0.078 0.000 1.001 457 E HN 0.330 nan 8.360 nan 0.000 0.444 458 P HA -0.199 nan 4.420 nan 0.000 0.216 458 P C 1.161 178.507 177.300 0.077 0.000 1.167 458 P CA 1.979 65.149 63.100 0.117 0.000 0.914 458 P CB 0.047 31.805 31.700 0.096 0.000 0.793 459 G N -0.343 108.492 108.800 0.058 0.000 2.553 459 G HA2 -0.314 3.651 3.960 0.009 0.000 0.218 459 G HA3 -0.314 3.651 3.960 0.009 0.000 0.218 459 G C 1.617 176.545 174.900 0.047 0.000 1.195 459 G CA 1.680 46.804 45.100 0.041 0.000 0.779 459 G HN 0.157 nan 8.290 nan 0.000 0.577 460 V N 0.658 120.604 119.914 0.052 0.000 2.233 460 V HA -0.265 3.861 4.120 0.009 0.000 0.252 460 V C 3.049 179.181 176.094 0.063 0.000 1.063 460 V CA 2.043 64.372 62.300 0.049 0.000 1.032 460 V CB -1.012 30.843 31.823 0.053 0.000 0.645 460 V HN 0.269 nan 8.190 nan 0.000 0.446 461 V N 0.234 120.208 119.914 0.100 0.000 2.515 461 V HA -0.194 3.931 4.120 0.009 0.000 0.250 461 V C 2.695 178.863 176.094 0.124 0.000 1.058 461 V CA 1.686 64.079 62.300 0.156 0.000 1.064 461 V CB -1.284 30.647 31.823 0.180 0.000 0.675 461 V HN 0.566 nan 8.190 nan 0.000 0.461 462 A N -0.320 122.550 122.820 0.083 0.000 1.908 462 A HA -0.213 4.112 4.320 0.009 0.000 0.218 462 A C 2.261 179.875 177.584 0.050 0.000 1.181 462 A CA 1.756 53.830 52.037 0.062 0.000 0.627 462 A CB -0.368 18.657 19.000 0.043 0.000 0.818 462 A HN 0.493 nan 8.150 nan 0.000 0.445 463 E N -0.332 119.892 120.200 0.039 0.000 2.072 463 E HA -0.142 4.213 4.350 0.009 0.000 0.190 463 E C 2.006 178.613 176.600 0.013 0.000 0.982 463 E CA 1.301 57.714 56.400 0.021 0.000 0.803 463 E CB -0.308 29.399 29.700 0.012 0.000 0.755 463 E HN 0.716 nan 8.360 nan 0.000 0.453 464 K N 0.738 121.143 120.400 0.009 0.000 2.032 464 K HA -0.128 4.198 4.320 0.009 0.000 0.209 464 K C 2.101 178.707 176.600 0.009 0.000 1.048 464 K CA 1.447 57.709 56.287 -0.042 0.000 0.927 464 K CB -0.018 32.400 32.500 -0.137 0.000 0.712 464 K HN -0.084 nan 8.250 nan 0.000 0.441 465 V N 1.189 121.160 119.914 0.095 0.000 2.343 465 V HA -0.223 3.903 4.120 0.009 0.000 0.247 465 V C 2.489 178.622 176.094 0.066 0.000 1.051 465 V CA 1.960 64.334 62.300 0.123 0.000 1.036 465 V CB -0.635 31.276 31.823 0.147 0.000 0.654 465 V HN 0.394 nan 8.190 nan 0.000 0.451 466 R N 0.689 121.216 120.500 0.045 0.000 2.119 466 R HA -0.203 4.142 4.340 0.009 0.000 0.246 466 R C 1.725 178.033 176.300 0.013 0.000 1.146 466 R CA 2.020 58.135 56.100 0.025 0.000 0.962 466 R CB -0.222 30.089 30.300 0.018 0.000 0.863 466 R HN 0.566 nan 8.270 nan 0.000 0.442 467 N N 0.158 118.862 118.700 0.007 0.000 2.322 467 N HA 0.041 4.787 4.740 0.009 0.000 0.194 467 N C -0.000 175.508 175.510 -0.003 0.000 1.126 467 N CA 0.238 53.286 53.050 -0.004 0.000 0.845 467 N CB 0.387 38.866 38.487 -0.014 0.000 0.976 467 N HN 0.174 nan 8.380 nan 0.000 0.475 468 L N 1.338 122.571 121.223 0.016 0.000 2.421 468 L HA 0.337 4.683 4.340 0.009 0.000 0.263 468 L C -1.938 174.925 176.870 -0.013 0.000 1.122 468 L CA -1.737 53.125 54.840 0.037 0.000 0.804 468 L CB 0.488 42.615 42.059 0.113 0.000 1.150 468 L HN -0.220 nan 8.230 nan 0.000 0.457 469 P HA -0.013 nan 4.420 nan 0.000 0.266 469 P C -0.872 176.255 177.300 -0.289 0.000 1.195 469 P CA -0.251 62.686 63.100 -0.271 0.000 0.768 469 P CB 0.475 31.825 31.700 -0.583 0.000 0.838 470 A N 3.364 126.065 122.820 -0.198 0.000 2.532 470 A HA 0.348 4.674 4.320 0.009 0.000 0.269 470 A C 1.509 179.031 177.584 -0.103 0.000 1.079 470 A CA 0.922 52.892 52.037 -0.111 0.000 0.800 470 A CB -1.757 17.198 19.000 -0.075 0.000 1.000 470 A HN 0.890 nan 8.150 nan 0.000 0.522 471 G N 2.179 110.978 108.800 -0.001 0.000 2.184 471 G HA2 -0.157 3.809 3.960 0.009 0.000 0.206 471 G HA3 -0.157 3.809 3.960 0.009 0.000 0.206 471 G C -0.064 175.009 174.900 0.289 0.000 0.995 471 G CA 0.213 45.377 45.100 0.106 0.000 0.651 471 G HN 1.039 nan 8.290 nan 0.000 0.511 472 H N -0.017 119.077 119.070 0.039 0.000 2.466 472 H HA 0.596 5.158 4.556 0.010 0.000 0.338 472 H C 0.518 175.898 175.328 0.086 0.000 1.091 472 H CA -0.394 55.689 56.048 0.059 0.000 1.207 472 H CB 1.902 31.702 29.762 0.064 0.000 1.466 472 H HN 0.544 nan 8.280 nan 0.000 0.493 473 G N 1.491 110.405 108.800 0.191 0.000 2.606 473 G HA2 0.287 4.253 3.960 0.009 0.000 0.300 473 G HA3 0.287 4.253 3.960 0.009 0.000 0.300 473 G C -1.763 173.121 174.900 -0.027 0.000 1.360 473 G CA -0.964 44.230 45.100 0.157 0.000 0.783 473 G HN 0.453 nan 8.290 nan 0.000 0.484 474 L N 1.512 122.600 121.223 -0.225 0.000 2.418 474 L HA 0.374 4.720 4.340 0.009 0.000 0.274 474 L C 0.263 176.946 176.870 -0.312 0.000 1.135 474 L CA -0.759 53.696 54.840 -0.642 0.000 0.870 474 L CB 0.497 42.192 42.059 -0.606 0.000 1.154 474 L HN 0.496 nan 8.230 nan 0.000 0.462 475 N N 4.330 122.851 118.700 -0.299 0.000 2.482 475 N HA 0.144 4.889 4.740 0.009 0.000 0.242 475 N C 0.727 176.150 175.510 -0.145 0.000 1.100 475 N CA 0.476 53.428 53.050 -0.164 0.000 0.946 475 N CB 1.424 39.836 38.487 -0.126 0.000 1.227 475 N HN 0.827 nan 8.380 nan 0.000 0.508 476 A N 3.441 126.196 122.820 -0.109 0.000 2.234 476 A HA -0.166 4.159 4.320 0.009 0.000 0.216 476 A C 1.798 179.342 177.584 -0.066 0.000 1.167 476 A CA 1.235 53.222 52.037 -0.083 0.000 0.698 476 A CB -0.030 18.936 19.000 -0.056 0.000 0.779 476 A HN 0.799 nan 8.150 nan 0.000 0.475 477 Q N -1.452 118.310 119.800 -0.063 0.000 2.134 477 Q HA -0.032 4.314 4.340 0.009 0.000 0.195 477 Q C 2.029 178.000 176.000 -0.049 0.000 0.958 477 Q CA 1.635 57.410 55.803 -0.048 0.000 0.840 477 Q CB -0.004 28.710 28.738 -0.040 0.000 0.918 477 Q HN 0.764 nan 8.270 nan 0.000 0.467 478 T N -4.433 110.087 114.554 -0.058 0.000 2.985 478 T HA 0.332 4.687 4.350 0.009 0.000 0.254 478 T C 1.330 175.994 174.700 -0.059 0.000 1.021 478 T CA 0.357 62.427 62.100 -0.050 0.000 0.957 478 T CB 0.877 69.720 68.868 -0.041 0.000 1.047 478 T HN 0.404 nan 8.240 nan 0.000 0.511 479 G N 1.258 110.000 108.800 -0.098 0.000 2.153 479 G HA2 -0.224 3.741 3.960 0.009 0.000 0.252 479 G HA3 -0.224 3.741 3.960 0.009 0.000 0.252 479 G C 0.073 174.895 174.900 -0.130 0.000 0.994 479 G CA 0.120 45.141 45.100 -0.133 0.000 0.698 479 G HN 0.772 nan 8.290 nan 0.000 0.521 480 V N 1.699 121.550 119.914 -0.105 0.000 2.270 480 V HA 0.333 4.459 4.120 0.009 0.000 0.263 480 V C 0.573 176.651 176.094 -0.026 0.000 1.066 480 V CA -1.223 61.062 62.300 -0.024 0.000 0.857 480 V CB -0.353 31.461 31.823 -0.015 0.000 1.099 480 V HN 0.276 nan 8.190 nan 0.000 0.476 481 Y N 4.334 124.624 120.300 -0.017 0.000 2.865 481 Y HA 0.120 4.676 4.550 0.010 0.000 0.338 481 Y C 1.055 176.923 175.900 -0.053 0.000 1.269 481 Y CA 0.737 58.827 58.100 -0.017 0.000 1.585 481 Y CB 0.008 38.470 38.460 0.004 0.000 1.224 481 Y HN 0.833 nan 8.280 nan 0.000 0.554 482 E N 0.141 120.353 120.200 0.020 0.000 2.221 482 E HA 0.211 4.566 4.350 0.009 0.000 0.242 482 E C -1.587 174.835 176.600 -0.297 0.000 1.218 482 E CA -1.086 55.224 56.400 -0.149 0.000 0.912 482 E CB 0.560 30.194 29.700 -0.109 0.000 1.771 482 E HN 0.285 nan 8.360 nan 0.000 0.490 483 D N 0.480 120.646 120.400 -0.390 0.000 2.494 483 D HA 0.229 4.874 4.640 0.009 0.000 0.217 483 D C 0.793 177.054 176.300 -0.064 0.000 1.153 483 D CA -0.144 53.694 54.000 -0.269 0.000 0.954 483 D CB 0.119 40.786 40.800 -0.223 0.000 1.034 483 D HN 0.517 nan 8.370 nan 0.000 0.518 484 L N 2.381 123.596 121.223 -0.013 0.000 2.137 484 L HA -0.246 4.099 4.340 0.009 0.000 0.213 484 L C 2.164 179.037 176.870 0.005 0.000 1.085 484 L CA 0.919 55.756 54.840 -0.005 0.000 0.760 484 L CB -0.412 41.652 42.059 0.009 0.000 0.893 484 L HN 0.506 nan 8.230 nan 0.000 0.434 485 L N -0.375 120.864 121.223 0.027 0.000 2.012 485 L HA -0.210 4.135 4.340 0.009 0.000 0.210 485 L C 2.742 179.620 176.870 0.012 0.000 1.073 485 L CA 1.448 56.304 54.840 0.025 0.000 0.748 485 L CB -0.666 41.419 42.059 0.043 0.000 0.891 485 L HN 0.249 nan 8.230 nan 0.000 0.431 486 A N -0.658 122.166 122.820 0.007 0.000 2.119 486 A HA 0.142 4.468 4.320 0.009 0.000 0.216 486 A C 2.171 179.747 177.584 -0.014 0.000 1.152 486 A CA 1.090 53.125 52.037 -0.003 0.000 0.708 486 A CB -0.449 18.546 19.000 -0.009 0.000 0.805 486 A HN 0.356 nan 8.150 nan 0.000 0.460 487 A N -1.461 121.347 122.820 -0.019 0.000 2.307 487 A HA 0.443 4.769 4.320 0.009 0.000 0.218 487 A C 1.615 179.189 177.584 -0.017 0.000 1.228 487 A CA 0.908 52.930 52.037 -0.024 0.000 0.857 487 A CB -0.925 18.053 19.000 -0.036 0.000 0.897 487 A HN 1.720 nan 8.150 nan 0.000 0.495 488 G N -1.306 107.488 108.800 -0.010 0.000 2.160 488 G HA2 -0.202 3.764 3.960 0.009 0.000 0.251 488 G HA3 -0.202 3.764 3.960 0.009 0.000 0.251 488 G C 0.150 175.046 174.900 -0.007 0.000 1.008 488 G CA 0.332 45.428 45.100 -0.007 0.000 0.724 488 G HN 0.840 nan 8.290 nan 0.000 0.514 489 V N 0.671 120.581 119.914 -0.008 0.000 2.192 489 V HA 0.723 4.849 4.120 0.009 0.000 0.264 489 V C 0.725 176.819 176.094 0.000 0.000 1.155 489 V CA 0.220 62.515 62.300 -0.008 0.000 1.005 489 V CB 0.327 32.140 31.823 -0.016 0.000 1.201 489 V HN 1.001 nan 8.190 nan 0.000 0.468 490 A N 2.902 125.723 122.820 0.002 0.000 2.389 490 A HA 0.968 5.293 4.320 0.009 0.000 0.293 490 A C -1.011 176.576 177.584 0.006 0.000 1.186 490 A CA -0.587 51.454 52.037 0.007 0.000 0.828 490 A CB 1.723 20.727 19.000 0.007 0.000 1.369 490 A HN 0.494 nan 8.150 nan 0.000 0.446 491 D N -0.501 119.903 120.400 0.007 0.000 2.836 491 D HA 0.359 5.005 4.640 0.009 0.000 0.215 491 D C -3.030 173.274 176.300 0.007 0.000 1.255 491 D CA -0.665 53.339 54.000 0.006 0.000 0.822 491 D CB 2.101 42.905 40.800 0.007 0.000 1.656 491 D HN 0.070 nan 8.370 nan 0.000 0.511 492 P HA 0.014 nan 4.420 nan 0.000 0.265 492 P C 1.221 178.525 177.300 0.006 0.000 1.222 492 P CA -0.183 62.920 63.100 0.005 0.000 0.767 492 P CB 0.891 32.593 31.700 0.004 0.000 0.801 493 V N 4.844 124.762 119.914 0.006 0.000 2.636 493 V HA -0.313 3.813 4.120 0.009 0.000 0.258 493 V C 2.218 178.316 176.094 0.006 0.000 1.092 493 V CA 2.043 64.346 62.300 0.006 0.000 1.110 493 V CB -0.696 31.131 31.823 0.006 0.000 0.685 493 V HN 0.586 nan 8.190 nan 0.000 0.481 494 K N -0.725 119.678 120.400 0.005 0.000 2.032 494 K HA -0.160 4.165 4.320 0.009 0.000 0.209 494 K C 1.919 178.522 176.600 0.005 0.000 1.048 494 K CA 2.125 58.415 56.287 0.005 0.000 0.927 494 K CB -0.167 32.335 32.500 0.004 0.000 0.712 494 K HN 0.459 nan 8.250 nan 0.000 0.441 495 V N 0.681 120.598 119.914 0.005 0.000 2.358 495 V HA -0.192 3.934 4.120 0.009 0.000 0.246 495 V C 2.195 178.292 176.094 0.006 0.000 1.047 495 V CA 2.180 64.483 62.300 0.006 0.000 1.035 495 V CB -0.531 31.295 31.823 0.006 0.000 0.658 495 V HN 0.435 nan 8.190 nan 0.000 0.452 496 T N 0.699 115.256 114.554 0.006 0.000 2.770 496 T HA -0.171 4.185 4.350 0.009 0.000 0.263 496 T C 2.009 176.712 174.700 0.006 0.000 1.039 496 T CA 1.784 63.887 62.100 0.006 0.000 1.142 496 T CB -0.268 68.604 68.868 0.007 0.000 0.868 496 T HN 0.625 nan 8.240 nan 0.000 0.435 497 R N 1.386 121.889 120.500 0.006 0.000 2.091 497 R HA -0.057 4.289 4.340 0.009 0.000 0.238 497 R C 2.322 178.626 176.300 0.006 0.000 1.136 497 R CA 2.022 58.126 56.100 0.006 0.000 0.959 497 R CB -0.685 29.619 30.300 0.006 0.000 0.856 497 R HN 0.178 nan 8.270 nan 0.000 0.437 498 S N 1.173 116.877 115.700 0.006 0.000 2.368 498 S HA -0.073 4.403 4.470 0.009 0.000 0.225 498 S C 2.220 176.824 174.600 0.007 0.000 1.030 498 S CA 1.025 59.230 58.200 0.007 0.000 0.999 498 S CB -0.322 62.883 63.200 0.007 0.000 0.844 498 S HN 0.596 nan 8.310 nan 0.000 0.459 499 A N 1.769 124.593 122.820 0.006 0.000 1.884 499 A HA -0.148 4.178 4.320 0.009 0.000 0.219 499 A C 2.145 179.731 177.584 0.003 0.000 1.197 499 A CA 1.589 53.628 52.037 0.005 0.000 0.637 499 A CB -0.955 18.048 19.000 0.004 0.000 0.827 499 A HN 0.452 nan 8.150 nan 0.000 0.450 500 L N -0.882 120.344 121.223 0.004 0.000 1.961 500 L HA -0.296 4.050 4.340 0.009 0.000 0.210 500 L C 2.982 179.856 176.870 0.006 0.000 1.072 500 L CA 2.132 56.974 54.840 0.003 0.000 0.749 500 L CB -0.575 41.486 42.059 0.003 0.000 0.889 500 L HN 0.528 nan 8.230 nan 0.000 0.432 501 Q N -0.337 119.468 119.800 0.007 0.000 2.118 501 Q HA -0.280 4.066 4.340 0.009 0.000 0.211 501 Q C 1.904 177.912 176.000 0.013 0.000 0.998 501 Q CA 2.161 57.970 55.803 0.010 0.000 0.872 501 Q CB -0.354 28.390 28.738 0.010 0.000 0.925 501 Q HN 0.585 nan 8.270 nan 0.000 0.414 502 N N 0.030 118.738 118.700 0.013 0.000 2.216 502 N HA -0.087 4.658 4.740 0.009 0.000 0.183 502 N C 1.699 177.220 175.510 0.018 0.000 1.017 502 N CA 1.219 54.279 53.050 0.017 0.000 0.861 502 N CB -0.223 38.273 38.487 0.016 0.000 0.986 502 N HN 0.247 nan 8.380 nan 0.000 0.428 503 A N 1.121 123.946 122.820 0.009 0.000 1.933 503 A HA 0.057 4.383 4.320 0.009 0.000 0.218 503 A C 2.314 179.902 177.584 0.006 0.000 1.175 503 A CA 1.740 53.777 52.037 -0.000 0.000 0.628 503 A CB -0.521 18.473 19.000 -0.010 0.000 0.814 503 A HN 0.321 nan 8.150 nan 0.000 0.444 504 A N -0.967 121.860 122.820 0.012 0.000 2.016 504 A HA 0.049 4.375 4.320 0.009 0.000 0.217 504 A C 2.377 179.980 177.584 0.031 0.000 1.162 504 A CA 1.742 53.789 52.037 0.017 0.000 0.662 504 A CB -0.632 18.376 19.000 0.013 0.000 0.812 504 A HN 0.583 nan 8.150 nan 0.000 0.450 505 S N -0.208 115.512 115.700 0.033 0.000 2.387 505 S HA -0.057 4.419 4.470 0.009 0.000 0.226 505 S C 1.891 176.532 174.600 0.068 0.000 1.026 505 S CA 1.190 59.415 58.200 0.042 0.000 0.972 505 S CB -0.457 62.764 63.200 0.034 0.000 0.814 505 S HN 0.491 nan 8.310 nan 0.000 0.477 506 I N 1.608 122.226 120.570 0.081 0.000 2.252 506 I HA -0.078 4.098 4.170 0.009 0.000 0.245 506 I C 2.898 179.149 176.117 0.223 0.000 1.102 506 I CA 1.021 62.411 61.300 0.151 0.000 1.385 506 I CB -0.623 37.450 38.000 0.122 0.000 1.064 506 I HN 0.400 nan 8.210 nan 0.000 0.414 507 A N 1.124 124.013 122.820 0.115 0.000 1.877 507 A HA -0.127 4.199 4.320 0.009 0.000 0.216 507 A C 2.408 180.078 177.584 0.143 0.000 1.186 507 A CA 1.817 53.916 52.037 0.104 0.000 0.620 507 A CB -1.478 17.538 19.000 0.026 0.000 0.822 507 A HN 0.446 nan 8.150 nan 0.000 0.443 508 G N -0.841 108.016 108.800 0.095 0.000 2.527 508 G HA2 -0.071 3.895 3.960 0.009 0.000 0.219 508 G HA3 -0.071 3.895 3.960 0.009 0.000 0.219 508 G C 1.358 176.306 174.900 0.080 0.000 1.117 508 G CA 1.173 46.318 45.100 0.075 0.000 0.759 508 G HN 0.419 nan 8.290 nan 0.000 0.556 509 L N -0.849 120.445 121.223 0.118 0.000 2.084 509 L HA 0.368 4.713 4.340 0.009 0.000 0.202 509 L C 2.184 179.062 176.870 0.013 0.000 1.074 509 L CA 1.074 55.943 54.840 0.048 0.000 0.757 509 L CB -0.423 41.654 42.059 0.029 0.000 0.918 509 L HN 0.153 nan 8.230 nan 0.000 0.444 510 F N -0.289 119.659 119.950 -0.004 0.000 2.664 510 F HA -0.048 4.485 4.527 0.009 0.000 0.297 510 F C 1.414 177.216 175.800 0.004 0.000 1.164 510 F CA 0.771 58.768 58.000 -0.005 0.000 1.472 510 F CB -0.366 38.623 39.000 -0.018 0.000 1.108 510 F HN 0.032 nan 8.300 nan 0.000 0.596 511 L N -1.553 119.760 121.223 0.151 0.000 2.965 511 L HA 0.244 4.589 4.340 0.009 0.000 0.254 511 L C 0.748 177.648 176.870 0.050 0.000 1.220 511 L CA 0.058 54.954 54.840 0.093 0.000 1.023 511 L CB -0.222 41.887 42.059 0.083 0.000 1.355 511 L HN 0.005 nan 8.230 nan 0.000 0.545 512 T N -2.913 111.656 114.554 0.025 0.000 3.482 512 T HA 0.050 4.406 4.350 0.009 0.000 0.195 512 T C 0.679 175.366 174.700 -0.021 0.000 0.940 512 T CA -0.086 62.016 62.100 0.003 0.000 1.044 512 T CB 0.341 69.210 68.868 0.002 0.000 1.209 512 T HN -0.005 nan 8.240 nan 0.000 0.318 513 T N 3.192 117.714 114.554 -0.052 0.000 2.854 513 T HA 0.162 4.518 4.350 0.009 0.000 0.336 513 T C 0.103 174.754 174.700 -0.082 0.000 1.095 513 T CA 0.745 62.799 62.100 -0.077 0.000 1.118 513 T CB 0.304 69.100 68.868 -0.120 0.000 1.025 513 T HN 0.276 nan 8.240 nan 0.000 0.549 514 E N 0.000 120.159 120.200 -0.069 0.000 2.725 514 E HA 0.000 4.356 4.350 0.009 0.000 0.291 514 E CA 0.000 56.369 56.400 -0.052 0.000 0.976 514 E CB 0.000 29.685 29.700 -0.024 0.000 0.812 514 E HN 0.000 nan 8.360 nan 0.000 0.440