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 2vgg_1_C DATA FIRST_RESID 58 DATA SEQUENCE QQQLPAXXAD TFLEHLCLLD IDSEPVAARS TSIIATIGPA SRSVERLKEM DATA SEQUENCE IKAGMNIARL NFSHGSHEYH AESIANVREA VESFAGSPLS YRPVAIALDT DATA SEQUENCE KGPEIRTGIL QGGPESEVEL VKGSQVLVTV DPAFRTRGNA NTVWVDYPNI DATA SEQUENCE VRVVPVGGRI YIDDGLISLV VQKIGPEGLV TQVENGGVLG SRKGVNLPGA DATA SEQUENCE QVDLPGLSEQ DVRDLRFGVE HGVDIVFASF VRKASDVAAV RAALGPEGHG DATA SEQUENCE IKIISKIENH EGVKRFDEIL EVSDGIMVAR GDLGIEIPAE KVFLAQKMMI DATA SEQUENCE GRCNLAGKPV VCATQMLESM ITKPRPTRAE TSDVANAVLD GADCIMLSGE DATA SEQUENCE TAKGNFPVEA VKMQHAIARE AEAAVYHRQL FEELRRAAPL SRDPTEVTAI DATA SEQUENCE GAVEAAFKCC AAAIIVLTTT GHSAQLLSRY RPRAAVIAVT RSAQAARQVH DATA SEQUENCE LCRGVFPLLY REPPEAIWAD DVDRRVQFGI ESGKLRGFLR VGDLVIVVTG DATA SEQUENCE WRPGSGYTNI MRVLSI 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 58 Q HA 0.000 nan 4.340 nan 0.000 0.214 58 Q C 0.000 176.030 176.000 0.050 0.000 1.003 58 Q CA 0.000 55.824 55.803 0.034 0.000 1.022 58 Q CB 0.000 28.756 28.738 0.030 0.000 1.108 59 Q N 0.696 120.530 119.800 0.056 0.000 2.422 59 Q HA -0.333 4.006 4.340 -0.000 0.000 0.245 59 Q C -0.752 175.313 176.000 0.109 0.000 0.922 59 Q CA 1.122 56.973 55.803 0.080 0.000 1.192 59 Q CB -0.974 27.809 28.738 0.075 0.000 1.641 59 Q HN 0.624 nan 8.270 nan 0.000 0.552 60 Q N -2.157 117.694 119.800 0.085 0.000 2.468 60 Q HA -0.236 4.104 4.340 -0.000 0.000 0.289 60 Q C 0.671 176.746 176.000 0.125 0.000 1.299 60 Q CA 1.228 57.085 55.803 0.089 0.000 0.838 60 Q CB -1.688 27.110 28.738 0.099 0.000 1.195 60 Q HN 0.496 nan 8.270 nan 0.000 0.456 61 L N 0.464 121.749 121.223 0.103 0.000 1.989 61 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 61 L C -0.235 176.699 176.870 0.107 0.000 1.071 61 L CA 2.729 57.635 54.840 0.110 0.000 0.749 61 L CB -1.033 41.074 42.059 0.081 0.000 0.890 61 L HN 0.299 nan 8.230 nan 0.000 0.431 62 P HA -0.101 nan 4.420 nan 0.000 0.216 62 P C 0.248 177.594 177.300 0.077 0.000 1.150 62 P CA 1.390 64.526 63.100 0.060 0.000 0.837 62 P CB -0.084 31.632 31.700 0.026 0.000 0.786 67 D N 0.866 121.354 120.400 0.147 0.000 2.219 67 D HA 0.054 4.694 4.640 -0.000 0.000 0.205 67 D C 1.301 177.726 176.300 0.207 0.000 0.970 67 D CA 2.554 56.648 54.000 0.157 0.000 0.851 67 D CB 0.195 41.049 40.800 0.091 0.000 0.943 67 D HN 0.866 nan 8.370 nan 0.000 0.488 68 T N -4.039 110.603 114.554 0.146 0.000 2.831 68 T HA 0.316 4.665 4.350 -0.000 0.000 0.287 68 T C 0.684 175.351 174.700 -0.055 0.000 1.070 68 T CA -0.890 61.295 62.100 0.142 0.000 1.010 68 T CB 0.780 69.704 68.868 0.092 0.000 1.264 68 T HN -0.058 nan 8.240 nan 0.000 0.532 69 F N -0.056 119.806 119.950 -0.146 0.000 2.219 69 F HA 0.114 4.640 4.527 -0.002 0.000 0.294 69 F C 1.946 177.667 175.800 -0.132 0.000 1.086 69 F CA 0.418 58.258 58.000 -0.266 0.000 1.330 69 F CB -0.070 38.906 39.000 -0.040 0.000 1.047 69 F HN 0.453 nan 8.300 nan 0.000 0.495 70 L N 1.365 122.539 121.223 -0.082 0.000 1.944 70 L HA -0.273 4.067 4.340 -0.000 0.000 0.218 70 L C 2.249 178.998 176.870 -0.201 0.000 1.075 70 L CA 2.365 57.105 54.840 -0.168 0.000 0.767 70 L CB -1.219 40.810 42.059 -0.050 0.000 0.890 70 L HN 0.237 nan 8.230 nan 0.000 0.434 71 E N -1.466 118.665 120.200 -0.115 0.000 2.095 71 E HA -0.401 3.949 4.350 -0.000 0.000 0.212 71 E C 2.156 178.662 176.600 -0.156 0.000 1.044 71 E CA 2.005 58.344 56.400 -0.102 0.000 0.857 71 E CB -0.315 29.358 29.700 -0.045 0.000 0.764 71 E HN 0.697 nan 8.360 nan 0.000 0.462 72 H N 0.098 118.968 119.070 -0.334 0.000 2.296 72 H HA -0.218 4.337 4.556 -0.000 0.000 0.291 72 H C 2.021 177.151 175.328 -0.331 0.000 1.074 72 H CA 2.527 58.335 56.048 -0.399 0.000 1.176 72 H CB -0.748 28.562 29.762 -0.753 0.000 1.357 72 H HN 0.178 nan 8.280 nan 0.000 0.520 73 L N -0.594 120.265 121.223 -0.606 0.000 2.011 73 L HA -0.369 3.971 4.340 -0.000 0.000 0.225 73 L C 2.905 179.553 176.870 -0.370 0.000 1.084 73 L CA 1.880 56.389 54.840 -0.552 0.000 0.791 73 L CB -1.025 40.727 42.059 -0.511 0.000 0.898 73 L HN 0.511 nan 8.230 nan 0.000 0.440 74 C N -0.306 118.829 119.300 -0.274 0.000 2.402 74 C HA -0.118 4.342 4.460 -0.000 0.000 0.301 74 C C 2.231 177.123 174.990 -0.164 0.000 1.455 74 C CA 0.493 59.401 59.018 -0.183 0.000 1.787 74 C CB -1.339 26.320 27.740 -0.134 0.000 1.726 74 C HN 0.457 nan 8.230 nan 0.000 0.565 75 L N -0.602 120.496 121.223 -0.209 0.000 2.906 75 L HA 0.264 4.604 4.340 -0.000 0.000 0.255 75 L C 0.367 177.137 176.870 -0.166 0.000 1.166 75 L CA -0.071 54.676 54.840 -0.155 0.000 0.977 75 L CB -0.097 41.893 42.059 -0.114 0.000 1.313 75 L HN 0.246 nan 8.230 nan 0.000 0.549 76 L N 2.040 123.125 121.223 -0.229 0.000 2.615 76 L HA -0.040 4.299 4.340 -0.000 0.000 0.271 76 L C 0.189 176.997 176.870 -0.104 0.000 1.183 76 L CA 0.677 55.410 54.840 -0.179 0.000 0.933 76 L CB -0.009 41.928 42.059 -0.202 0.000 1.199 76 L HN 0.126 nan 8.230 nan 0.000 0.487 77 D N 4.484 124.844 120.400 -0.068 0.000 2.303 77 D HA 0.171 4.810 4.640 -0.000 0.000 0.236 77 D C 1.017 177.299 176.300 -0.030 0.000 1.068 77 D CA -0.544 53.430 54.000 -0.044 0.000 0.830 77 D CB 1.647 42.429 40.800 -0.029 0.000 1.109 77 D HN 0.520 nan 8.370 nan 0.000 0.496 78 I N 0.486 121.038 120.570 -0.030 0.000 3.001 78 I HA -0.027 4.143 4.170 -0.000 0.000 0.268 78 I C 0.398 176.507 176.117 -0.013 0.000 1.267 78 I CA 0.699 61.986 61.300 -0.022 0.000 1.472 78 I CB 0.120 38.106 38.000 -0.023 0.000 1.089 78 I HN 0.027 nan 8.210 nan 0.000 0.468 79 D N 0.746 121.140 120.400 -0.011 0.000 2.369 79 D HA 0.088 4.728 4.640 -0.000 0.000 0.211 79 D C 0.656 176.956 176.300 0.000 0.000 1.077 79 D CA 0.293 54.290 54.000 -0.005 0.000 0.842 79 D CB 0.455 41.252 40.800 -0.005 0.000 0.947 79 D HN 0.141 nan 8.370 nan 0.000 0.509 80 S N 2.213 117.913 115.700 -0.000 0.000 3.455 80 S HA -0.009 4.461 4.470 -0.000 0.000 0.288 80 S C 0.211 174.819 174.600 0.013 0.000 1.231 80 S CA -0.234 57.971 58.200 0.008 0.000 1.031 80 S CB -0.209 62.997 63.200 0.010 0.000 1.570 80 S HN 0.007 nan 8.310 nan 0.000 0.519 81 E N 4.647 124.855 120.200 0.014 0.000 2.558 81 E HA 0.065 4.414 4.350 -0.000 0.000 0.255 81 E C -2.045 174.569 176.600 0.023 0.000 0.968 81 E CA -1.989 54.420 56.400 0.016 0.000 0.939 81 E CB -0.228 29.482 29.700 0.016 0.000 0.921 81 E HN 0.354 nan 8.360 nan 0.000 0.477 82 P HA 0.043 nan 4.420 nan 0.000 0.269 82 P C -0.436 176.886 177.300 0.035 0.000 1.215 82 P CA -0.133 62.985 63.100 0.031 0.000 0.780 82 P CB 0.732 32.444 31.700 0.020 0.000 0.898 83 V N 1.698 121.638 119.914 0.042 0.000 2.610 83 V HA 0.639 4.758 4.120 -0.000 0.000 0.288 83 V C -1.153 174.971 176.094 0.049 0.000 1.055 83 V CA 0.185 62.510 62.300 0.042 0.000 0.902 83 V CB 0.764 32.607 31.823 0.032 0.000 1.030 83 V HN 0.983 nan 8.190 nan 0.000 0.448 84 A N 4.894 127.754 122.820 0.067 0.000 2.089 84 A HA 0.661 4.980 4.320 -0.000 0.000 0.272 84 A C -0.218 177.431 177.584 0.108 0.000 0.835 84 A CA -0.089 51.991 52.037 0.071 0.000 0.618 84 A CB -0.455 18.571 19.000 0.042 0.000 1.006 84 A HN 2.393 nan 8.150 nan 0.000 0.335 85 A N 2.093 124.980 122.820 0.111 0.000 2.598 85 A HA 0.449 4.769 4.320 -0.000 0.000 0.239 85 A C 0.865 178.606 177.584 0.262 0.000 1.032 85 A CA 1.206 53.335 52.037 0.154 0.000 0.760 85 A CB -0.220 18.476 19.000 -0.506 0.000 0.946 85 A HN 2.002 nan 8.150 nan 0.000 0.512 86 R N 1.825 122.518 120.500 0.321 0.000 2.594 86 R HA 0.393 4.732 4.340 -0.000 0.000 0.272 86 R C 0.670 177.185 176.300 0.358 0.000 1.074 86 R CA 0.295 56.541 56.100 0.243 0.000 1.105 86 R CB 0.456 30.809 30.300 0.089 0.000 1.008 86 R HN 0.621 nan 8.270 nan 0.000 0.472 87 S N 0.258 116.083 115.700 0.208 0.000 2.514 87 S HA 0.015 4.485 4.470 -0.000 0.000 0.223 87 S C 0.176 174.761 174.600 -0.024 0.000 1.046 87 S CA -0.274 57.966 58.200 0.067 0.000 0.914 87 S CB 0.008 63.256 63.200 0.079 0.000 0.807 87 S HN 0.676 nan 8.310 nan 0.000 0.497 88 T N 3.990 118.563 114.554 0.032 0.000 2.793 88 T HA 0.320 4.670 4.350 -0.000 0.000 0.289 88 T C 0.110 174.827 174.700 0.027 0.000 0.956 88 T CA -0.035 62.077 62.100 0.021 0.000 1.177 88 T CB 0.380 69.266 68.868 0.030 0.000 0.897 88 T HN 0.298 nan 8.240 nan 0.000 0.533 89 S N 3.023 118.731 115.700 0.012 0.000 2.617 89 S HA 0.493 4.963 4.470 -0.000 0.000 0.269 89 S C 0.317 174.931 174.600 0.022 0.000 1.292 89 S CA -0.813 57.396 58.200 0.016 0.000 1.010 89 S CB 0.610 63.826 63.200 0.027 0.000 0.944 89 S HN 0.558 nan 8.310 nan 0.000 0.536 90 I N 1.629 122.204 120.570 0.009 0.000 2.433 90 I HA 0.429 4.599 4.170 -0.000 0.000 0.292 90 I C -0.731 175.399 176.117 0.022 0.000 1.001 90 I CA -0.440 60.875 61.300 0.026 0.000 1.119 90 I CB 1.261 39.283 38.000 0.038 0.000 1.289 90 I HN 0.421 nan 8.210 nan 0.000 0.438 91 I N 5.409 126.010 120.570 0.052 0.000 2.377 91 I HA 0.658 4.828 4.170 -0.000 0.000 0.293 91 I C -0.045 176.120 176.117 0.081 0.000 0.987 91 I CA -0.507 60.846 61.300 0.089 0.000 1.185 91 I CB 1.846 39.938 38.000 0.153 0.000 1.341 91 I HN 0.576 nan 8.210 nan 0.000 0.455 92 A N 3.978 126.849 122.820 0.084 0.000 2.374 92 A HA 0.688 5.008 4.320 -0.000 0.000 0.305 92 A C -0.372 177.273 177.584 0.102 0.000 1.053 92 A CA -0.517 51.568 52.037 0.080 0.000 0.726 92 A CB 1.249 20.284 19.000 0.058 0.000 1.229 92 A HN 0.635 nan 8.150 nan 0.000 0.431 93 T N 3.731 118.350 114.554 0.108 0.000 2.832 93 T HA 0.368 4.718 4.350 -0.000 0.000 0.296 93 T C 0.413 175.183 174.700 0.117 0.000 0.968 93 T CA -0.060 62.118 62.100 0.130 0.000 1.107 93 T CB 0.115 69.065 68.868 0.136 0.000 0.916 93 T HN 0.399 nan 8.240 nan 0.000 0.517 94 I N 3.047 123.695 120.570 0.131 0.000 2.519 94 I HA 0.612 4.782 4.170 -0.000 0.000 0.287 94 I C 1.003 177.210 176.117 0.150 0.000 1.047 94 I CA 0.085 61.456 61.300 0.117 0.000 1.381 94 I CB 0.539 38.603 38.000 0.108 0.000 1.417 94 I HN 0.849 nan 8.210 nan 0.000 0.540 95 G N 6.073 114.944 108.800 0.118 0.000 2.488 95 G HA2 0.420 4.380 3.960 -0.000 0.000 0.301 95 G HA3 0.420 4.380 3.960 -0.000 0.000 0.301 95 G C -2.681 172.281 174.900 0.103 0.000 1.339 95 G CA -0.443 44.744 45.100 0.145 0.000 0.803 95 G HN 0.249 nan 8.290 nan 0.000 0.482 96 P HA -0.073 nan 4.420 nan 0.000 0.217 96 P C 1.770 179.087 177.300 0.028 0.000 1.148 96 P CA 2.116 65.258 63.100 0.070 0.000 0.834 96 P CB 0.167 31.891 31.700 0.040 0.000 0.783 97 A N -0.890 121.941 122.820 0.019 0.000 2.235 97 A HA 0.101 4.421 4.320 -0.000 0.000 0.208 97 A C 1.183 178.769 177.584 0.003 0.000 1.172 97 A CA 1.247 53.282 52.037 -0.003 0.000 0.786 97 A CB -0.705 18.288 19.000 -0.011 0.000 0.804 97 A HN 0.295 nan 8.150 nan 0.000 0.479 98 S N -2.623 113.087 115.700 0.016 0.000 2.690 98 S HA 0.280 4.750 4.470 -0.000 0.000 0.227 98 S C 0.314 174.923 174.600 0.014 0.000 0.750 98 S CA -0.313 57.898 58.200 0.019 0.000 1.015 98 S CB -0.497 62.723 63.200 0.033 0.000 1.556 98 S HN 0.398 nan 8.310 nan 0.000 0.487 99 R N 1.847 122.346 120.500 -0.002 0.000 2.308 99 R HA 0.254 4.594 4.340 -0.000 0.000 0.202 99 R C 0.553 176.836 176.300 -0.028 0.000 0.898 99 R CA 0.751 56.832 56.100 -0.032 0.000 1.046 99 R CB 0.491 30.746 30.300 -0.074 0.000 1.026 99 R HN 0.574 nan 8.270 nan 0.000 0.512 100 S N -0.580 115.112 115.700 -0.012 0.000 2.528 100 S HA 0.063 4.533 4.470 -0.000 0.000 0.277 100 S C 1.514 176.115 174.600 0.000 0.000 1.297 100 S CA -0.764 57.430 58.200 -0.010 0.000 1.052 100 S CB 1.775 64.971 63.200 -0.007 0.000 0.917 100 S HN -0.065 nan 8.310 nan 0.000 0.492 101 V N 2.917 122.830 119.914 -0.001 0.000 2.277 101 V HA -0.211 3.908 4.120 -0.000 0.000 0.253 101 V C 2.720 178.822 176.094 0.013 0.000 1.067 101 V CA 2.382 64.687 62.300 0.008 0.000 1.047 101 V CB -0.869 30.954 31.823 -0.001 0.000 0.649 101 V HN 0.871 nan 8.190 nan 0.000 0.447 102 E N -0.363 119.840 120.200 0.005 0.000 2.077 102 E HA -0.232 4.117 4.350 -0.000 0.000 0.193 102 E C 2.291 178.905 176.600 0.024 0.000 0.989 102 E CA 1.408 57.813 56.400 0.009 0.000 0.800 102 E CB -0.391 29.309 29.700 0.001 0.000 0.746 102 E HN 0.547 nan 8.360 nan 0.000 0.452 103 R N 0.268 120.780 120.500 0.019 0.000 2.096 103 R HA -0.112 4.227 4.340 -0.000 0.000 0.235 103 R C 2.209 178.532 176.300 0.038 0.000 1.127 103 R CA 0.757 56.871 56.100 0.024 0.000 0.968 103 R CB -0.220 30.088 30.300 0.013 0.000 0.861 103 R HN 0.062 nan 8.270 nan 0.000 0.440 104 L N 1.115 122.363 121.223 0.042 0.000 1.994 104 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 104 L C 1.946 178.870 176.870 0.091 0.000 1.071 104 L CA 1.871 56.745 54.840 0.056 0.000 0.745 104 L CB -0.993 41.099 42.059 0.054 0.000 0.892 104 L HN 0.191 nan 8.230 nan 0.000 0.431 105 K N -0.429 120.040 120.400 0.116 0.000 2.059 105 K HA -0.241 4.079 4.320 -0.000 0.000 0.212 105 K C 1.959 178.667 176.600 0.180 0.000 1.050 105 K CA 1.731 58.147 56.287 0.214 0.000 0.927 105 K CB -0.183 32.398 32.500 0.134 0.000 0.714 105 K HN 0.384 nan 8.250 nan 0.000 0.447 106 E N 0.465 120.726 120.200 0.103 0.000 2.058 106 E HA -0.195 4.154 4.350 -0.000 0.000 0.194 106 E C 2.046 178.675 176.600 0.049 0.000 0.997 106 E CA 1.463 57.907 56.400 0.073 0.000 0.801 106 E CB -0.054 29.677 29.700 0.051 0.000 0.746 106 E HN 0.311 nan 8.360 nan 0.000 0.450 107 M N 0.215 119.840 119.600 0.042 0.000 2.296 107 M HA -0.132 4.347 4.480 -0.000 0.000 0.265 107 M C 2.150 178.443 176.300 -0.012 0.000 1.064 107 M CA 0.953 56.265 55.300 0.020 0.000 1.109 107 M CB -0.067 32.549 32.600 0.026 0.000 1.396 107 M HN 0.153 nan 8.290 nan 0.000 0.430 108 I N 0.338 120.903 120.570 -0.009 0.000 2.133 108 I HA -0.292 3.877 4.170 -0.000 0.000 0.238 108 I C 2.170 178.200 176.117 -0.144 0.000 1.074 108 I CA 1.533 62.776 61.300 -0.095 0.000 1.342 108 I CB -0.727 37.208 38.000 -0.107 0.000 1.053 108 I HN 0.282 nan 8.210 nan 0.000 0.404 109 K N 1.168 121.509 120.400 -0.098 0.000 2.127 109 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 109 K C 2.086 178.619 176.600 -0.113 0.000 1.047 109 K CA 1.826 58.054 56.287 -0.098 0.000 0.927 109 K CB -0.348 32.156 32.500 0.008 0.000 0.716 109 K HN 0.376 nan 8.250 nan 0.000 0.450 110 A N -0.043 122.728 122.820 -0.081 0.000 2.066 110 A HA 0.098 4.418 4.320 -0.000 0.000 0.218 110 A C 1.611 179.102 177.584 -0.155 0.000 1.157 110 A CA 1.369 53.346 52.037 -0.099 0.000 0.670 110 A CB -0.053 18.930 19.000 -0.029 0.000 0.804 110 A HN 0.473 nan 8.150 nan 0.000 0.453 111 G N -2.086 106.640 108.800 -0.123 0.000 2.234 111 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.153 111 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.153 111 G C 0.201 175.069 174.900 -0.053 0.000 1.013 111 G CA -0.007 45.033 45.100 -0.100 0.000 0.712 111 G HN 0.551 nan 8.290 nan 0.000 0.491 112 M N 1.023 120.588 119.600 -0.058 0.000 2.251 112 M HA 0.324 4.804 4.480 -0.000 0.000 0.343 112 M C 1.001 177.223 176.300 -0.129 0.000 1.245 112 M CA 1.210 56.476 55.300 -0.057 0.000 1.061 112 M CB 0.198 32.777 32.600 -0.036 0.000 1.723 112 M HN 0.222 nan 8.290 nan 0.000 0.449 113 N N 4.053 122.648 118.700 -0.175 0.000 2.460 113 N HA 0.348 5.088 4.740 -0.000 0.000 0.193 113 N C -0.642 174.685 175.510 -0.305 0.000 1.080 113 N CA -0.001 52.807 53.050 -0.403 0.000 0.869 113 N CB 0.608 38.657 38.487 -0.730 0.000 1.201 113 N HN 0.498 nan 8.380 nan 0.000 0.457 114 I N 0.645 121.140 120.570 -0.125 0.000 2.569 114 I HA 0.579 4.748 4.170 -0.000 0.000 0.296 114 I C -1.002 175.123 176.117 0.013 0.000 1.028 114 I CA -1.237 60.043 61.300 -0.033 0.000 1.082 114 I CB 2.090 40.116 38.000 0.044 0.000 1.264 114 I HN -0.064 nan 8.210 nan 0.000 0.429 115 A N 5.960 128.791 122.820 0.019 0.000 2.271 115 A HA 0.617 4.937 4.320 -0.000 0.000 0.317 115 A C -0.419 177.204 177.584 0.063 0.000 1.245 115 A CA -0.569 51.497 52.037 0.047 0.000 0.857 115 A CB 0.848 19.872 19.000 0.041 0.000 1.175 115 A HN 0.798 nan 8.150 nan 0.000 0.512 116 R N 3.149 123.721 120.500 0.118 0.000 2.294 116 R HA 0.570 4.909 4.340 -0.000 0.000 0.319 116 R C -1.373 175.028 176.300 0.169 0.000 0.984 116 R CA -0.446 55.749 56.100 0.160 0.000 0.861 116 R CB 0.536 30.997 30.300 0.268 0.000 1.104 116 R HN 0.725 nan 8.270 nan 0.000 0.451 117 L N 4.385 125.706 121.223 0.162 0.000 2.265 117 L HA 0.283 4.623 4.340 -0.000 0.000 0.289 117 L C -0.096 176.913 176.870 0.232 0.000 1.033 117 L CA -0.844 54.116 54.840 0.200 0.000 0.814 117 L CB 1.288 43.455 42.059 0.181 0.000 1.203 117 L HN 0.576 nan 8.230 nan 0.000 0.423 118 N N 3.023 121.882 118.700 0.266 0.000 2.521 118 N HA 0.096 4.835 4.740 -0.000 0.000 0.236 118 N C 0.376 176.038 175.510 0.253 0.000 1.067 118 N CA -0.237 52.977 53.050 0.274 0.000 0.939 118 N CB 0.327 38.982 38.487 0.280 0.000 1.201 118 N HN 0.319 nan 8.380 nan 0.000 0.511 119 F N 1.304 121.244 119.950 -0.017 0.000 2.724 119 F HA -0.014 4.513 4.527 -0.000 0.000 0.297 119 F C 2.091 177.904 175.800 0.021 0.000 1.200 119 F CA 0.335 58.327 58.000 -0.013 0.000 1.468 119 F CB -0.238 38.718 39.000 -0.072 0.000 1.116 119 F HN 0.446 nan 8.300 nan 0.000 0.599 120 S N -1.685 114.059 115.700 0.074 0.000 2.474 120 S HA -0.080 4.390 4.470 -0.000 0.000 0.235 120 S C 0.403 174.728 174.600 -0.458 0.000 0.997 120 S CA 0.799 58.876 58.200 -0.205 0.000 0.949 120 S CB -0.291 62.696 63.200 -0.355 0.000 0.766 120 S HN 0.291 nan 8.310 nan 0.000 0.517 121 H N -0.758 118.347 119.070 0.058 0.000 2.851 121 H HA 0.506 5.062 4.556 -0.001 0.000 0.372 121 H C 0.434 175.677 175.328 -0.141 0.000 1.158 121 H CA -0.017 56.006 56.048 -0.042 0.000 1.159 121 H CB 1.275 31.008 29.762 -0.048 0.000 1.757 121 H HN 0.299 nan 8.280 nan 0.000 0.546 122 G N 1.183 109.879 108.800 -0.173 0.000 2.731 122 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.686 122 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.686 122 G C 0.120 174.836 174.900 -0.306 0.000 1.395 122 G CA -0.037 44.768 45.100 -0.491 0.000 0.870 122 G HN 0.853 nan 8.290 nan 0.000 0.591 123 S N -0.163 115.382 115.700 -0.259 0.000 2.681 123 S HA 0.550 5.019 4.470 -0.000 0.000 0.270 123 S C 1.379 175.954 174.600 -0.041 0.000 1.209 123 S CA 0.522 58.642 58.200 -0.134 0.000 0.988 123 S CB 1.143 64.291 63.200 -0.086 0.000 1.006 123 S HN 0.813 nan 8.310 nan 0.000 0.558 124 H N 0.908 119.893 119.070 -0.142 0.000 2.319 124 H HA -0.005 4.551 4.556 -0.000 0.000 0.299 124 H C 1.966 177.241 175.328 -0.088 0.000 1.092 124 H CA 2.323 58.223 56.048 -0.247 0.000 1.302 124 H CB -0.647 29.055 29.762 -0.099 0.000 1.373 124 H HN 0.754 nan 8.280 nan 0.000 0.497 125 E N -0.420 119.881 120.200 0.167 0.000 2.153 125 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 125 E C 1.970 178.616 176.600 0.078 0.000 0.988 125 E CA 0.914 57.400 56.400 0.144 0.000 0.811 125 E CB -0.385 29.385 29.700 0.116 0.000 0.746 125 E HN 0.586 nan 8.360 nan 0.000 0.466 126 Y N 0.072 120.287 120.300 -0.141 0.000 2.314 126 Y HA -0.180 4.369 4.550 -0.001 0.000 0.293 126 Y C 1.922 177.660 175.900 -0.271 0.000 1.129 126 Y CA 1.547 59.502 58.100 -0.242 0.000 1.201 126 Y CB 0.130 38.361 38.460 -0.381 0.000 0.999 126 Y HN 0.153 nan 8.280 nan 0.000 0.541 127 H N -0.771 118.259 119.070 -0.066 0.000 2.448 127 H HA 0.160 4.716 4.556 -0.000 0.000 0.292 127 H C 2.353 177.691 175.328 0.017 0.000 1.035 127 H CA 0.898 56.886 56.048 -0.100 0.000 1.349 127 H CB -0.471 29.182 29.762 -0.181 0.000 1.425 127 H HN 0.479 nan 8.280 nan 0.000 0.539 128 A N 1.329 124.276 122.820 0.212 0.000 1.978 128 A HA -0.193 4.126 4.320 -0.000 0.000 0.220 128 A C 2.282 179.901 177.584 0.058 0.000 1.170 128 A CA 1.606 53.729 52.037 0.143 0.000 0.636 128 A CB -0.366 18.740 19.000 0.177 0.000 0.810 128 A HN 0.418 nan 8.150 nan 0.000 0.448 129 E N -0.271 119.919 120.200 -0.016 0.000 2.077 129 E HA -0.120 4.229 4.350 -0.000 0.000 0.193 129 E C 2.282 178.826 176.600 -0.093 0.000 0.989 129 E CA 1.316 57.670 56.400 -0.077 0.000 0.800 129 E CB -0.089 29.504 29.700 -0.179 0.000 0.746 129 E HN 0.630 nan 8.360 nan 0.000 0.452 130 S N 0.582 116.205 115.700 -0.128 0.000 2.383 130 S HA -0.091 4.379 4.470 -0.000 0.000 0.227 130 S C 1.993 176.600 174.600 0.010 0.000 1.026 130 S CA 0.677 58.826 58.200 -0.085 0.000 0.981 130 S CB -0.061 63.104 63.200 -0.058 0.000 0.818 130 S HN 0.189 nan 8.310 nan 0.000 0.472 131 I N 1.743 122.345 120.570 0.054 0.000 2.233 131 I HA -0.150 4.019 4.170 -0.000 0.000 0.243 131 I C 2.724 178.877 176.117 0.060 0.000 1.093 131 I CA 0.941 62.286 61.300 0.074 0.000 1.380 131 I CB -0.542 37.516 38.000 0.097 0.000 1.067 131 I HN 0.244 nan 8.210 nan 0.000 0.413 132 A N 0.921 123.774 122.820 0.054 0.000 1.958 132 A HA -0.308 4.012 4.320 -0.000 0.000 0.221 132 A C 2.012 179.617 177.584 0.035 0.000 1.178 132 A CA 2.598 54.664 52.037 0.048 0.000 0.642 132 A CB -1.161 17.863 19.000 0.039 0.000 0.816 132 A HN 0.572 nan 8.150 nan 0.000 0.453 133 N N -0.742 117.969 118.700 0.019 0.000 2.148 133 N HA -0.043 4.697 4.740 -0.000 0.000 0.186 133 N C 1.682 177.213 175.510 0.035 0.000 1.031 133 N CA 1.052 54.111 53.050 0.016 0.000 0.848 133 N CB -0.223 38.260 38.487 -0.008 0.000 1.005 133 N HN 0.215 nan 8.380 nan 0.000 0.427 134 V N 2.049 121.987 119.914 0.040 0.000 2.222 134 V HA -0.337 3.783 4.120 -0.000 0.000 0.252 134 V C 2.278 178.414 176.094 0.070 0.000 1.060 134 V CA 1.815 64.148 62.300 0.054 0.000 1.027 134 V CB -0.601 31.254 31.823 0.053 0.000 0.644 134 V HN 0.296 nan 8.190 nan 0.000 0.448 135 R N -0.626 119.916 120.500 0.071 0.000 2.140 135 R HA -0.283 4.057 4.340 -0.000 0.000 0.250 135 R C 2.402 178.754 176.300 0.086 0.000 1.150 135 R CA 2.276 58.427 56.100 0.084 0.000 0.966 135 R CB -0.401 29.944 30.300 0.076 0.000 0.869 135 R HN 0.700 nan 8.270 nan 0.000 0.445 136 E N 0.037 120.275 120.200 0.064 0.000 2.047 136 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 136 E C 1.974 178.609 176.600 0.057 0.000 0.987 136 E CA 1.027 57.458 56.400 0.051 0.000 0.799 136 E CB -0.034 29.683 29.700 0.028 0.000 0.752 136 E HN 0.390 nan 8.360 nan 0.000 0.449 137 A N 0.563 123.424 122.820 0.070 0.000 1.883 137 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 137 A C 2.409 180.117 177.584 0.206 0.000 1.186 137 A CA 1.662 53.760 52.037 0.101 0.000 0.624 137 A CB -0.816 18.252 19.000 0.114 0.000 0.822 137 A HN 0.228 nan 8.150 nan 0.000 0.444 138 V N 0.477 120.514 119.914 0.204 0.000 2.261 138 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 138 V C 2.297 178.607 176.094 0.360 0.000 1.047 138 V CA 2.071 64.527 62.300 0.259 0.000 1.015 138 V CB -0.801 31.103 31.823 0.136 0.000 0.642 138 V HN 0.532 nan 8.190 nan 0.000 0.446 139 E N 0.734 121.091 120.200 0.261 0.000 2.472 139 E HA -0.115 4.234 4.350 -0.000 0.000 0.200 139 E C 2.329 179.030 176.600 0.168 0.000 1.046 139 E CA 1.154 57.711 56.400 0.262 0.000 0.871 139 E CB -0.474 29.321 29.700 0.159 0.000 0.806 139 E HN 0.780 nan 8.360 nan 0.000 0.533 140 S N -0.434 115.301 115.700 0.058 0.000 2.481 140 S HA -0.065 4.405 4.470 -0.000 0.000 0.231 140 S C 1.447 175.892 174.600 -0.258 0.000 0.996 140 S CA 0.330 58.426 58.200 -0.174 0.000 0.942 140 S CB -0.381 62.606 63.200 -0.355 0.000 0.768 140 S HN 0.166 nan 8.310 nan 0.000 0.520 141 F N 1.183 121.207 119.950 0.122 0.000 2.727 141 F HA 0.558 5.085 4.527 -0.000 0.000 0.302 141 F C 2.234 178.174 175.800 0.233 0.000 1.097 141 F CA -0.111 57.975 58.000 0.144 0.000 1.330 141 F CB -0.224 38.843 39.000 0.113 0.000 1.084 141 F HN 0.261 nan 8.300 nan 0.000 0.578 142 A N 0.490 123.545 122.820 0.392 0.000 2.259 142 A HA 0.011 4.330 4.320 -0.000 0.000 0.212 142 A C 2.437 180.092 177.584 0.118 0.000 1.178 142 A CA 1.237 53.413 52.037 0.232 0.000 0.734 142 A CB -1.349 17.696 19.000 0.075 0.000 0.774 142 A HN 0.403 nan 8.150 nan 0.000 0.481 143 G N -0.790 108.087 108.800 0.129 0.000 2.625 143 G HA2 0.162 4.122 3.960 -0.000 0.000 0.214 143 G HA3 0.162 4.122 3.960 -0.000 0.000 0.214 143 G C 0.364 175.317 174.900 0.088 0.000 1.132 143 G CA 0.956 46.102 45.100 0.077 0.000 0.782 143 G HN 0.615 nan 8.290 nan 0.000 0.538 144 S N -0.257 115.524 115.700 0.135 0.000 2.423 144 S HA 0.352 4.822 4.470 -0.000 0.000 0.213 144 S C -2.347 172.359 174.600 0.176 0.000 1.131 144 S CA -0.825 57.453 58.200 0.131 0.000 1.155 144 S CB 2.345 65.620 63.200 0.124 0.000 1.202 144 S HN -0.115 nan 8.310 nan 0.000 0.441 145 P HA -0.067 nan 4.420 nan 0.000 0.218 145 P C 1.069 178.578 177.300 0.349 0.000 1.146 145 P CA 0.848 64.085 63.100 0.228 0.000 0.813 145 P CB 0.036 31.851 31.700 0.192 0.000 0.778 146 L N -1.254 120.109 121.223 0.233 0.000 2.291 146 L HA -0.036 4.303 4.340 -0.000 0.000 0.214 146 L C 2.061 178.954 176.870 0.038 0.000 1.120 146 L CA 1.725 56.598 54.840 0.055 0.000 0.799 146 L CB -0.615 41.439 42.059 -0.008 0.000 0.925 146 L HN 0.135 nan 8.230 nan 0.000 0.446 147 S N -2.030 113.738 115.700 0.114 0.000 2.666 147 S HA 0.000 4.470 4.470 -0.000 0.000 0.239 147 S C 0.454 175.129 174.600 0.126 0.000 1.031 147 S CA -0.596 57.650 58.200 0.077 0.000 1.015 147 S CB -0.138 63.079 63.200 0.028 0.000 0.981 147 S HN 0.293 nan 8.310 nan 0.000 0.547 148 Y N 3.916 124.268 120.300 0.086 0.000 2.804 148 Y HA 0.261 4.810 4.550 -0.001 0.000 0.338 148 Y C 0.128 176.067 175.900 0.065 0.000 1.252 148 Y CA 0.084 58.242 58.100 0.097 0.000 1.576 148 Y CB 0.215 38.762 38.460 0.146 0.000 1.223 148 Y HN 0.186 nan 8.280 nan 0.000 0.536 149 R N 8.456 128.679 120.500 -0.463 0.000 2.215 149 R HA 0.324 4.664 4.340 -0.000 0.000 0.336 149 R C -2.373 173.577 176.300 -0.583 0.000 0.996 149 R CA -1.766 54.113 56.100 -0.368 0.000 0.847 149 R CB 0.663 30.802 30.300 -0.267 0.000 1.127 149 R HN 0.513 nan 8.270 nan 0.000 0.465 150 P HA 0.117 nan 4.420 nan 0.000 0.273 150 P C -0.876 176.416 177.300 -0.013 0.000 1.250 150 P CA -0.385 62.612 63.100 -0.172 0.000 0.793 150 P CB 0.749 32.537 31.700 0.146 0.000 1.011 151 V N 0.069 119.995 119.914 0.019 0.000 2.711 151 V HA 0.535 4.654 4.120 -0.000 0.000 0.304 151 V C -0.019 176.102 176.094 0.045 0.000 1.097 151 V CA -0.850 61.440 62.300 -0.017 0.000 0.906 151 V CB 1.571 33.362 31.823 -0.054 0.000 1.015 151 V HN 0.725 nan 8.190 nan 0.000 0.427 152 A N 5.660 128.512 122.820 0.052 0.000 2.313 152 A HA 0.842 5.162 4.320 -0.000 0.000 0.261 152 A C -0.406 177.185 177.584 0.011 0.000 1.090 152 A CA -0.264 51.808 52.037 0.057 0.000 0.807 152 A CB 0.426 19.466 19.000 0.068 0.000 1.055 152 A HN 0.751 nan 8.150 nan 0.000 0.492 153 I N 0.629 121.194 120.570 -0.008 0.000 2.447 153 I HA 0.488 4.658 4.170 -0.000 0.000 0.287 153 I C 0.104 176.163 176.117 -0.097 0.000 1.023 153 I CA -0.233 61.053 61.300 -0.023 0.000 1.083 153 I CB 1.771 39.779 38.000 0.013 0.000 1.245 153 I HN 0.670 nan 8.210 nan 0.000 0.434 154 A N 7.467 130.195 122.820 -0.152 0.000 2.304 154 A HA 0.633 4.953 4.320 -0.000 0.000 0.314 154 A C -0.937 176.500 177.584 -0.246 0.000 1.187 154 A CA -0.486 51.331 52.037 -0.367 0.000 0.810 154 A CB 1.195 19.680 19.000 -0.859 0.000 1.183 154 A HN 0.769 nan 8.150 nan 0.000 0.487 155 L N 2.863 123.943 121.223 -0.238 0.000 2.281 155 L HA 0.366 4.706 4.340 -0.000 0.000 0.285 155 L C -0.668 176.137 176.870 -0.108 0.000 1.074 155 L CA -0.409 54.331 54.840 -0.166 0.000 0.817 155 L CB 0.720 42.616 42.059 -0.272 0.000 1.168 155 L HN 0.706 nan 8.230 nan 0.000 0.434 156 D N 3.643 124.077 120.400 0.056 0.000 2.303 156 D HA 0.179 4.818 4.640 -0.000 0.000 0.236 156 D C -0.564 175.812 176.300 0.127 0.000 1.068 156 D CA -0.212 53.892 54.000 0.174 0.000 0.830 156 D CB 1.788 42.763 40.800 0.290 0.000 1.109 156 D HN 0.427 nan 8.370 nan 0.000 0.496 157 T N 2.873 117.483 114.554 0.092 0.000 2.913 157 T HA 0.057 4.407 4.350 -0.000 0.000 0.297 157 T C 1.339 176.122 174.700 0.138 0.000 1.029 157 T CA -0.261 61.880 62.100 0.069 0.000 1.104 157 T CB 1.428 70.323 68.868 0.045 0.000 0.964 157 T HN 0.422 nan 8.240 nan 0.000 0.532 158 K N 2.369 122.857 120.400 0.148 0.000 2.007 158 K HA 0.100 4.420 4.320 -0.000 0.000 0.206 158 K C 1.159 177.850 176.600 0.151 0.000 1.047 158 K CA 1.174 57.545 56.287 0.141 0.000 0.937 158 K CB -0.713 31.858 32.500 0.118 0.000 0.718 158 K HN 0.923 nan 8.250 nan 0.000 0.438 159 G N 0.518 109.389 108.800 0.119 0.000 2.749 159 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.242 159 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.242 159 G C -2.323 172.572 174.900 -0.009 0.000 1.364 159 G CA -0.143 45.024 45.100 0.110 0.000 0.888 159 G HN 0.302 nan 8.290 nan 0.000 0.566 160 P HA 0.197 nan 4.420 nan 0.000 0.238 160 P C 0.166 177.164 177.300 -0.503 0.000 1.714 160 P CA 0.287 63.201 63.100 -0.310 0.000 0.908 160 P CB -0.427 31.061 31.700 -0.354 0.000 1.893 161 E N 0.709 120.722 120.200 -0.311 0.000 2.374 161 E HA 0.344 4.694 4.350 -0.000 0.000 0.260 161 E C 0.253 176.732 176.600 -0.201 0.000 1.101 161 E CA -0.573 55.670 56.400 -0.261 0.000 0.907 161 E CB 1.031 30.705 29.700 -0.043 0.000 1.014 161 E HN 0.252 nan 8.360 nan 0.000 0.427 162 I N 1.480 121.955 120.570 -0.159 0.000 2.509 162 I HA 0.424 4.594 4.170 -0.000 0.000 0.293 162 I C -0.056 176.050 176.117 -0.018 0.000 1.020 162 I CA -0.685 60.560 61.300 -0.090 0.000 1.088 162 I CB 1.653 39.587 38.000 -0.109 0.000 1.267 162 I HN 0.312 nan 8.210 nan 0.000 0.430 163 R N 2.282 122.786 120.500 0.006 0.000 2.698 163 R HA 0.470 4.809 4.340 -0.000 0.000 0.275 163 R C -0.551 175.804 176.300 0.091 0.000 1.001 163 R CA -0.686 55.450 56.100 0.061 0.000 0.896 163 R CB 2.712 33.067 30.300 0.091 0.000 1.218 163 R HN 0.765 nan 8.270 nan 0.000 0.462 164 T N -0.928 113.709 114.554 0.138 0.000 2.754 164 T HA 0.421 4.771 4.350 -0.000 0.000 0.286 164 T C 0.854 175.768 174.700 0.357 0.000 0.997 164 T CA -0.574 61.654 62.100 0.214 0.000 0.982 164 T CB 1.011 69.975 68.868 0.159 0.000 1.027 164 T HN 0.590 nan 8.240 nan 0.000 0.529 165 G N -0.409 108.665 108.800 0.457 0.000 2.588 165 G HA2 0.520 4.480 3.960 -0.000 0.000 0.281 165 G HA3 0.520 4.480 3.960 -0.000 0.000 0.281 165 G C -0.187 174.791 174.900 0.129 0.000 1.236 165 G CA -1.189 44.095 45.100 0.307 0.000 0.969 165 G HN 0.789 nan 8.290 nan 0.000 0.504 166 I N -0.315 120.274 120.570 0.030 0.000 2.754 166 I HA 0.046 4.215 4.170 -0.000 0.000 0.285 166 I C 0.275 176.400 176.117 0.014 0.000 1.166 166 I CA -0.326 60.982 61.300 0.014 0.000 1.417 166 I CB 0.542 38.529 38.000 -0.023 0.000 1.382 166 I HN 0.038 nan 8.210 nan 0.000 0.588 167 L N 4.907 126.142 121.223 0.020 0.000 2.371 167 L HA 0.167 4.507 4.340 -0.000 0.000 0.272 167 L C 0.533 177.408 176.870 0.007 0.000 1.124 167 L CA -0.109 54.745 54.840 0.024 0.000 0.816 167 L CB 0.438 42.514 42.059 0.029 0.000 1.129 167 L HN 0.595 nan 8.230 nan 0.000 0.448 168 Q N 2.576 122.384 119.800 0.013 0.000 2.608 168 Q HA 0.014 4.354 4.340 -0.000 0.000 0.301 168 Q C 1.206 177.203 176.000 -0.004 0.000 1.257 168 Q CA 0.992 56.797 55.803 0.004 0.000 1.044 168 Q CB -0.386 28.362 28.738 0.017 0.000 1.232 168 Q HN 0.949 nan 8.270 nan 0.000 0.448 169 G N 2.601 111.392 108.800 -0.015 0.000 2.284 169 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.268 169 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.268 169 G C 0.331 175.224 174.900 -0.012 0.000 0.980 169 G CA 0.172 45.262 45.100 -0.017 0.000 0.631 169 G HN 0.843 nan 8.290 nan 0.000 0.548 170 G N 0.298 109.094 108.800 -0.006 0.000 2.696 170 G HA2 0.629 4.589 3.960 -0.000 0.000 0.329 170 G HA3 0.629 4.589 3.960 -0.000 0.000 0.329 170 G C -0.879 174.019 174.900 -0.004 0.000 0.973 170 G CA -0.415 44.684 45.100 -0.003 0.000 1.257 170 G HN 0.227 nan 8.290 nan 0.000 0.456 171 P HA -0.022 nan 4.420 nan 0.000 0.216 171 P C 0.844 178.138 177.300 -0.010 0.000 1.153 171 P CA 1.016 64.108 63.100 -0.013 0.000 0.844 171 P CB 0.509 32.197 31.700 -0.020 0.000 0.787 172 E N -0.752 119.442 120.200 -0.010 0.000 2.496 172 E HA 0.138 4.488 4.350 -0.000 0.000 0.200 172 E C 0.570 177.169 176.600 -0.002 0.000 1.016 172 E CA -0.210 56.185 56.400 -0.008 0.000 0.962 172 E CB -0.236 29.457 29.700 -0.013 0.000 1.071 172 E HN 0.166 nan 8.360 nan 0.000 0.457 173 S N -0.152 115.549 115.700 0.002 0.000 2.745 173 S HA 0.612 5.082 4.470 -0.000 0.000 0.292 173 S C -0.123 174.484 174.600 0.012 0.000 1.127 173 S CA -0.709 57.495 58.200 0.006 0.000 1.007 173 S CB 1.705 64.909 63.200 0.005 0.000 1.165 173 S HN -0.011 nan 8.310 nan 0.000 0.544 174 E N -0.865 119.344 120.200 0.015 0.000 2.413 174 E HA 0.663 5.013 4.350 -0.000 0.000 0.277 174 E C -1.767 174.846 176.600 0.021 0.000 0.958 174 E CA -0.926 55.486 56.400 0.020 0.000 0.779 174 E CB 2.291 32.003 29.700 0.019 0.000 1.278 174 E HN 0.443 nan 8.360 nan 0.000 0.456 175 V N 0.961 120.890 119.914 0.025 0.000 2.914 175 V HA 0.321 4.441 4.120 -0.000 0.000 0.314 175 V C -0.680 175.428 176.094 0.022 0.000 1.084 175 V CA -0.719 61.595 62.300 0.024 0.000 0.963 175 V CB 2.015 33.855 31.823 0.029 0.000 1.025 175 V HN 0.618 nan 8.190 nan 0.000 0.432 176 E N 3.231 123.442 120.200 0.018 0.000 2.156 176 E HA 0.468 4.818 4.350 -0.000 0.000 0.279 176 E C -1.525 175.083 176.600 0.014 0.000 0.965 176 E CA -0.511 55.898 56.400 0.016 0.000 0.789 176 E CB 1.297 31.005 29.700 0.013 0.000 1.098 176 E HN 0.529 nan 8.360 nan 0.000 0.397 177 L N 4.740 125.971 121.223 0.013 0.000 2.272 177 L HA 0.366 4.706 4.340 -0.000 0.000 0.289 177 L C -0.501 176.371 176.870 0.002 0.000 1.032 177 L CA -0.934 53.910 54.840 0.008 0.000 0.810 177 L CB 1.536 43.599 42.059 0.008 0.000 1.205 177 L HN 0.331 nan 8.230 nan 0.000 0.422 178 V N 3.456 123.370 119.914 -0.001 0.000 2.394 178 V HA 0.179 4.298 4.120 -0.000 0.000 0.282 178 V C 0.420 176.509 176.094 -0.008 0.000 1.031 178 V CA -0.975 61.324 62.300 -0.002 0.000 0.881 178 V CB 1.479 33.302 31.823 -0.001 0.000 0.982 178 V HN 0.672 nan 8.190 nan 0.000 0.451 179 K N 3.381 123.776 120.400 -0.008 0.000 2.473 179 K HA 0.198 4.517 4.320 -0.000 0.000 0.277 179 K C 1.218 177.811 176.600 -0.012 0.000 1.052 179 K CA 1.341 57.621 56.287 -0.012 0.000 1.114 179 K CB -0.289 32.206 32.500 -0.008 0.000 0.869 179 K HN 1.161 nan 8.250 nan 0.000 0.481 180 G N 2.240 111.030 108.800 -0.016 0.000 2.213 180 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.236 180 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.236 180 G C 0.078 174.969 174.900 -0.015 0.000 0.991 180 G CA 0.308 45.399 45.100 -0.015 0.000 0.629 180 G HN 0.893 nan 8.290 nan 0.000 0.517 181 S N -0.725 114.966 115.700 -0.015 0.000 2.694 181 S HA 0.748 5.217 4.470 -0.000 0.000 0.278 181 S C -0.165 174.424 174.600 -0.019 0.000 1.152 181 S CA -0.276 57.915 58.200 -0.014 0.000 1.010 181 S CB 1.763 64.957 63.200 -0.010 0.000 1.104 181 S HN 0.263 nan 8.310 nan 0.000 0.547 182 Q N 0.343 120.132 119.800 -0.018 0.000 2.347 182 Q HA 0.638 4.977 4.340 -0.000 0.000 0.262 182 Q C -1.219 174.767 176.000 -0.024 0.000 0.980 182 Q CA -0.338 55.452 55.803 -0.023 0.000 0.867 182 Q CB 1.549 30.274 28.738 -0.022 0.000 1.242 182 Q HN 0.584 nan 8.270 nan 0.000 0.453 183 V N 3.330 123.227 119.914 -0.028 0.000 2.732 183 V HA 0.502 4.622 4.120 -0.000 0.000 0.310 183 V C -0.813 175.258 176.094 -0.039 0.000 1.053 183 V CA -0.967 61.316 62.300 -0.028 0.000 0.957 183 V CB 1.843 33.653 31.823 -0.021 0.000 1.018 183 V HN 0.612 nan 8.190 nan 0.000 0.452 184 L N 4.277 125.470 121.223 -0.049 0.000 2.313 184 L HA 0.622 4.962 4.340 -0.000 0.000 0.283 184 L C -0.473 176.360 176.870 -0.062 0.000 1.013 184 L CA 0.016 54.815 54.840 -0.069 0.000 0.816 184 L CB 1.797 43.792 42.059 -0.107 0.000 1.236 184 L HN 0.437 nan 8.230 nan 0.000 0.419 185 V N 3.737 123.613 119.914 -0.063 0.000 2.383 185 V HA 0.539 4.659 4.120 -0.000 0.000 0.275 185 V C 0.021 176.062 176.094 -0.088 0.000 1.036 185 V CA -0.330 61.931 62.300 -0.064 0.000 0.889 185 V CB 1.232 33.017 31.823 -0.064 0.000 0.985 185 V HN 0.898 nan 8.190 nan 0.000 0.459 186 T N 1.300 115.808 114.554 -0.077 0.000 2.824 186 T HA 0.449 4.798 4.350 -0.000 0.000 0.282 186 T C 0.565 175.171 174.700 -0.157 0.000 0.993 186 T CA -0.450 61.610 62.100 -0.066 0.000 0.967 186 T CB 1.641 70.496 68.868 -0.022 0.000 0.960 186 T HN 0.496 nan 8.240 nan 0.000 0.441 187 V N -1.511 118.305 119.914 -0.163 0.000 3.649 187 V HA 0.172 4.292 4.120 -0.000 0.000 0.275 187 V C 0.675 176.824 176.094 0.092 0.000 1.281 187 V CA -0.013 62.130 62.300 -0.262 0.000 1.143 187 V CB -0.767 30.908 31.823 -0.248 0.000 0.892 187 V HN 0.895 nan 8.190 nan 0.000 0.441 188 D N 3.311 123.868 120.400 0.262 0.000 2.426 188 D HA 0.070 4.709 4.640 -0.000 0.000 0.261 188 D C -0.541 176.102 176.300 0.572 0.000 1.245 188 D CA -1.779 52.452 54.000 0.385 0.000 0.917 188 D CB 1.430 42.469 40.800 0.399 0.000 1.123 188 D HN 0.237 nan 8.370 nan 0.000 0.508 189 P HA -0.279 nan 4.420 nan 0.000 0.217 189 P C 1.125 178.440 177.300 0.024 0.000 1.151 189 P CA 1.637 64.914 63.100 0.295 0.000 0.849 189 P CB 0.079 31.876 31.700 0.163 0.000 0.787 190 A N -0.367 122.467 122.820 0.024 0.000 1.948 190 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 190 A C 1.716 179.073 177.584 -0.378 0.000 1.177 190 A CA 1.540 53.452 52.037 -0.207 0.000 0.636 190 A CB -1.732 17.096 19.000 -0.286 0.000 0.815 190 A HN 0.197 nan 8.150 nan 0.000 0.449 191 F N -0.933 118.957 119.950 -0.101 0.000 2.692 191 F HA 0.257 4.784 4.527 -0.000 0.000 0.303 191 F C 1.761 177.224 175.800 -0.562 0.000 1.114 191 F CA 0.060 57.971 58.000 -0.148 0.000 1.361 191 F CB -0.223 38.819 39.000 0.070 0.000 1.063 191 F HN 0.169 nan 8.300 nan 0.000 0.550 192 R N 0.088 119.982 120.500 -1.011 0.000 2.165 192 R HA -0.251 4.089 4.340 -0.000 0.000 0.254 192 R C 1.751 177.500 176.300 -0.919 0.000 1.153 192 R CA 2.098 57.055 56.100 -1.904 0.000 0.971 192 R CB -0.396 29.200 30.300 -1.173 0.000 0.878 192 R HN 0.218 nan 8.270 nan 0.000 0.449 193 T N -1.403 112.877 114.554 -0.457 0.000 3.170 193 T HA 0.278 4.628 4.350 -0.000 0.000 0.288 193 T C 0.382 175.021 174.700 -0.102 0.000 0.992 193 T CA -0.454 61.507 62.100 -0.232 0.000 0.909 193 T CB 0.173 68.912 68.868 -0.215 0.000 1.133 193 T HN 0.174 nan 8.240 nan 0.000 0.530 194 R N 0.925 121.398 120.500 -0.045 0.000 2.568 194 R HA 0.341 4.681 4.340 -0.000 0.000 0.288 194 R C 0.981 177.375 176.300 0.156 0.000 1.077 194 R CA -0.312 55.830 56.100 0.069 0.000 1.102 194 R CB 0.198 30.567 30.300 0.116 0.000 1.278 194 R HN 0.316 nan 8.270 nan 0.000 0.560 195 G N 0.736 109.602 108.800 0.110 0.000 2.467 195 G HA2 0.181 4.141 3.960 -0.000 0.000 0.257 195 G HA3 0.181 4.141 3.960 -0.000 0.000 0.257 195 G C -0.381 174.569 174.900 0.082 0.000 1.227 195 G CA -0.312 44.859 45.100 0.118 0.000 0.835 195 G HN 0.434 nan 8.290 nan 0.000 0.556 196 N N -1.414 117.330 118.700 0.072 0.000 3.277 196 N HA 0.468 5.208 4.740 -0.000 0.000 0.278 196 N C 0.914 176.446 175.510 0.038 0.000 1.544 196 N CA -0.081 52.999 53.050 0.051 0.000 0.869 196 N CB 0.662 39.181 38.487 0.053 0.000 1.584 196 N HN 0.537 nan 8.380 nan 0.000 0.564 197 A N -0.585 122.251 122.820 0.028 0.000 2.032 197 A HA -0.172 4.148 4.320 -0.000 0.000 0.221 197 A C 0.890 178.481 177.584 0.012 0.000 1.165 197 A CA 1.563 53.612 52.037 0.019 0.000 0.645 197 A CB -0.829 18.180 19.000 0.015 0.000 0.807 197 A HN 0.655 nan 8.150 nan 0.000 0.453 198 N N -1.364 117.343 118.700 0.011 0.000 2.171 198 N HA 0.065 4.805 4.740 -0.000 0.000 0.212 198 N C -0.842 174.661 175.510 -0.013 0.000 1.184 198 N CA 0.318 53.366 53.050 -0.003 0.000 0.888 198 N CB 1.015 39.498 38.487 -0.007 0.000 1.038 198 N HN 0.248 nan 8.380 nan 0.000 0.517 199 T N 1.027 115.584 114.554 0.004 0.000 2.949 199 T HA 0.317 4.667 4.350 -0.000 0.000 0.300 199 T C -0.424 174.306 174.700 0.050 0.000 0.988 199 T CA -0.592 61.507 62.100 -0.000 0.000 0.993 199 T CB 2.367 71.228 68.868 -0.012 0.000 0.984 199 T HN -0.049 nan 8.240 nan 0.000 0.442 200 V N 1.523 121.470 119.914 0.055 0.000 2.487 200 V HA 0.845 4.965 4.120 -0.000 0.000 0.298 200 V C -0.934 175.258 176.094 0.162 0.000 1.028 200 V CA -1.133 61.235 62.300 0.114 0.000 0.860 200 V CB 1.446 33.318 31.823 0.081 0.000 0.991 200 V HN 0.968 nan 8.190 nan 0.000 0.427 201 W N 5.000 126.315 121.300 0.025 0.000 2.449 201 W HA 0.782 5.442 4.660 -0.000 0.000 0.331 201 W C -1.264 175.279 176.519 0.040 0.000 1.119 201 W CA -0.711 56.656 57.345 0.036 0.000 1.240 201 W CB 1.721 31.235 29.460 0.090 0.000 1.251 201 W HN 0.693 nan 8.180 nan 0.000 0.576 202 V N 5.458 124.957 119.914 -0.692 0.000 2.962 202 V HA 0.223 4.342 4.120 -0.000 0.000 0.313 202 V C -0.007 175.332 176.094 -1.258 0.000 1.099 202 V CA -0.517 61.387 62.300 -0.660 0.000 0.971 202 V CB 2.256 33.910 31.823 -0.282 0.000 1.028 202 V HN 0.701 nan 8.190 nan 0.000 0.430 203 D N 2.129 122.092 120.400 -0.727 0.000 2.328 203 D HA -0.010 4.630 4.640 -0.000 0.000 0.221 203 D C -0.080 176.104 176.300 -0.192 0.000 1.072 203 D CA 0.166 53.842 54.000 -0.540 0.000 0.850 203 D CB -0.055 40.716 40.800 -0.048 0.000 0.922 203 D HN 0.369 nan 8.370 nan 0.000 0.516 204 Y N 1.179 121.293 120.300 -0.310 0.000 2.593 204 Y HA 0.391 4.941 4.550 -0.000 0.000 0.331 204 Y C -1.954 173.829 175.900 -0.195 0.000 0.986 204 Y CA -2.903 55.079 58.100 -0.196 0.000 1.262 204 Y CB 1.509 39.874 38.460 -0.157 0.000 1.098 204 Y HN -0.257 nan 8.280 nan 0.000 0.506 205 P HA -0.237 nan 4.420 nan 0.000 0.214 205 P C 1.061 178.018 177.300 -0.571 0.000 1.169 205 P CA 1.801 64.655 63.100 -0.410 0.000 0.908 205 P CB 0.431 31.988 31.700 -0.238 0.000 0.791 206 N N -0.567 117.628 118.700 -0.842 0.000 2.513 206 N HA -0.136 4.604 4.740 -0.000 0.000 0.187 206 N C 1.679 176.831 175.510 -0.596 0.000 1.056 206 N CA 0.452 53.100 53.050 -0.670 0.000 0.907 206 N CB -0.819 37.368 38.487 -0.500 0.000 0.954 206 N HN 0.223 nan 8.380 nan 0.000 0.445 207 I N 0.989 121.092 120.570 -0.778 0.000 2.236 207 I HA -0.281 3.889 4.170 -0.000 0.000 0.249 207 I C 1.814 177.855 176.117 -0.127 0.000 1.102 207 I CA 1.194 62.367 61.300 -0.212 0.000 1.365 207 I CB 0.091 38.056 38.000 -0.059 0.000 1.051 207 I HN 0.009 nan 8.210 nan 0.000 0.420 208 V N -1.137 118.672 119.914 -0.175 0.000 3.141 208 V HA -0.098 4.022 4.120 -0.000 0.000 0.265 208 V C 2.241 178.284 176.094 -0.085 0.000 1.126 208 V CA 1.611 63.844 62.300 -0.112 0.000 1.141 208 V CB -0.912 30.842 31.823 -0.115 0.000 0.743 208 V HN 0.548 nan 8.190 nan 0.000 0.492 209 R N 0.327 120.769 120.500 -0.096 0.000 2.397 209 R HA 0.220 4.560 4.340 -0.000 0.000 0.241 209 R C 1.063 177.346 176.300 -0.029 0.000 0.914 209 R CA 1.050 57.114 56.100 -0.061 0.000 1.071 209 R CB 0.880 31.137 30.300 -0.072 0.000 1.116 209 R HN 0.535 nan 8.270 nan 0.000 0.524 210 V N -0.427 119.478 119.914 -0.015 0.000 3.484 210 V HA 0.214 4.334 4.120 -0.000 0.000 0.252 210 V C 0.718 176.828 176.094 0.026 0.000 1.282 210 V CA -0.127 62.190 62.300 0.027 0.000 1.104 210 V CB 1.058 32.936 31.823 0.092 0.000 0.868 210 V HN -0.091 nan 8.190 nan 0.000 0.457 211 V N 4.227 124.150 119.914 0.016 0.000 2.372 211 V HA 0.346 4.466 4.120 -0.000 0.000 0.261 211 V C -2.079 174.014 176.094 -0.002 0.000 1.055 211 V CA -1.284 61.024 62.300 0.012 0.000 0.930 211 V CB 0.265 32.094 31.823 0.011 0.000 1.031 211 V HN 0.367 nan 8.190 nan 0.000 0.479 212 P HA 0.282 nan 4.420 nan 0.000 0.276 212 P C -0.245 177.050 177.300 -0.009 0.000 1.261 212 P CA -0.494 62.603 63.100 -0.005 0.000 0.800 212 P CB 0.528 32.226 31.700 -0.002 0.000 1.066 213 V N 0.594 120.501 119.914 -0.012 0.000 2.694 213 V HA 0.239 4.359 4.120 -0.000 0.000 0.306 213 V C 1.717 177.804 176.094 -0.011 0.000 1.054 213 V CA 1.671 63.963 62.300 -0.014 0.000 1.161 213 V CB -0.636 31.179 31.823 -0.013 0.000 0.916 213 V HN 1.045 nan 8.190 nan 0.000 0.490 214 G N 3.244 112.035 108.800 -0.014 0.000 2.162 214 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.260 214 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.260 214 G C 0.478 175.372 174.900 -0.010 0.000 0.976 214 G CA -0.075 45.017 45.100 -0.013 0.000 0.655 214 G HN 1.435 nan 8.290 nan 0.000 0.533 215 G N -0.601 108.193 108.800 -0.009 0.000 2.377 215 G HA2 0.597 4.557 3.960 -0.000 0.000 0.299 215 G HA3 0.597 4.557 3.960 -0.000 0.000 0.299 215 G C -0.103 174.792 174.900 -0.009 0.000 1.150 215 G CA -0.413 44.687 45.100 -0.001 0.000 0.847 215 G HN 0.448 nan 8.290 nan 0.000 0.501 216 R N 1.174 121.677 120.500 0.006 0.000 2.368 216 R HA 0.575 4.915 4.340 -0.000 0.000 0.302 216 R C -0.622 175.682 176.300 0.007 0.000 1.002 216 R CA -0.569 55.513 56.100 -0.029 0.000 0.929 216 R CB 0.947 31.236 30.300 -0.019 0.000 1.073 216 R HN 0.433 nan 8.270 nan 0.000 0.464 217 I N 3.729 124.257 120.570 -0.069 0.000 2.465 217 I HA 0.295 4.464 4.170 -0.000 0.000 0.291 217 I C -1.188 174.889 176.117 -0.067 0.000 1.014 217 I CA -0.806 60.495 61.300 0.002 0.000 1.093 217 I CB 1.665 39.661 38.000 -0.007 0.000 1.267 217 I HN 0.541 nan 8.210 nan 0.000 0.431 218 Y N 6.028 126.335 120.300 0.012 0.000 2.377 218 Y HA 0.656 5.206 4.550 -0.000 0.000 0.339 218 Y C -0.101 175.813 175.900 0.023 0.000 1.011 218 Y CA -0.564 57.547 58.100 0.018 0.000 1.093 218 Y CB 1.754 40.228 38.460 0.022 0.000 1.201 218 Y HN 0.280 nan 8.280 nan 0.000 0.455 219 I N 1.960 122.626 120.570 0.160 0.000 2.689 219 I HA 0.284 4.454 4.170 -0.000 0.000 0.299 219 I C -0.943 175.246 176.117 0.121 0.000 1.059 219 I CA -1.119 60.252 61.300 0.119 0.000 1.055 219 I CB 1.922 39.967 38.000 0.075 0.000 1.243 219 I HN 0.564 nan 8.210 nan 0.000 0.425 220 D N 4.210 124.674 120.400 0.107 0.000 3.357 220 D HA -0.229 4.410 4.640 -0.000 0.000 0.238 220 D C 0.184 176.543 176.300 0.099 0.000 1.126 220 D CA 1.204 55.261 54.000 0.096 0.000 0.984 220 D CB -0.714 40.135 40.800 0.080 0.000 0.925 220 D HN 0.834 nan 8.370 nan 0.000 0.414 221 D N 0.663 121.120 120.400 0.096 0.000 3.041 221 D HA -0.179 4.461 4.640 -0.000 0.000 0.220 221 D C 1.118 177.465 176.300 0.079 0.000 1.157 221 D CA 2.963 57.009 54.000 0.075 0.000 0.876 221 D CB -1.175 39.665 40.800 0.066 0.000 1.107 221 D HN 1.375 nan 8.370 nan 0.000 0.422 222 G N -1.497 107.384 108.800 0.134 0.000 2.162 222 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.260 222 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.260 222 G C 1.072 176.144 174.900 0.287 0.000 0.976 222 G CA 0.504 45.744 45.100 0.233 0.000 0.655 222 G HN 0.551 nan 8.290 nan 0.000 0.533 223 L N -0.339 120.986 121.223 0.170 0.000 2.313 223 L HA 0.264 4.604 4.340 -0.000 0.000 0.214 223 L C 1.116 178.047 176.870 0.102 0.000 1.119 223 L CA 0.443 55.357 54.840 0.123 0.000 0.809 223 L CB -0.183 41.925 42.059 0.083 0.000 0.933 223 L HN 0.179 nan 8.230 nan 0.000 0.449 224 I N -0.883 119.749 120.570 0.102 0.000 2.525 224 I HA 0.284 4.453 4.170 -0.000 0.000 0.301 224 I C -0.007 176.084 176.117 -0.042 0.000 0.992 224 I CA -0.055 61.266 61.300 0.035 0.000 1.162 224 I CB 1.736 39.756 38.000 0.034 0.000 1.332 224 I HN -0.196 nan 8.210 nan 0.000 0.458 225 S N 6.543 122.165 115.700 -0.131 0.000 2.619 225 S HA 0.745 5.215 4.470 -0.000 0.000 0.280 225 S C -1.149 173.327 174.600 -0.207 0.000 1.150 225 S CA -0.575 57.438 58.200 -0.312 0.000 0.978 225 S CB 0.834 63.777 63.200 -0.428 0.000 1.041 225 S HN 0.415 nan 8.310 nan 0.000 0.485 226 L N 4.044 125.143 121.223 -0.206 0.000 2.346 226 L HA 0.728 5.067 4.340 -0.000 0.000 0.274 226 L C -0.753 176.037 176.870 -0.133 0.000 1.007 226 L CA -1.206 53.556 54.840 -0.130 0.000 0.818 226 L CB 2.002 44.011 42.059 -0.082 0.000 1.284 226 L HN 0.358 nan 8.230 nan 0.000 0.424 227 V N 2.732 122.590 119.914 -0.094 0.000 2.398 227 V HA 0.314 4.434 4.120 -0.000 0.000 0.286 227 V C 0.156 176.220 176.094 -0.050 0.000 1.026 227 V CA -0.772 61.486 62.300 -0.069 0.000 0.868 227 V CB 1.805 33.594 31.823 -0.057 0.000 0.982 227 V HN 0.434 nan 8.190 nan 0.000 0.443 228 V N 5.975 125.865 119.914 -0.040 0.000 2.408 228 V HA 0.173 4.293 4.120 -0.000 0.000 0.267 228 V C 0.824 176.902 176.094 -0.028 0.000 1.047 228 V CA -0.020 62.260 62.300 -0.033 0.000 0.937 228 V CB 0.832 32.638 31.823 -0.028 0.000 0.999 228 V HN 1.095 nan 8.190 nan 0.000 0.472 229 Q N 3.699 123.482 119.800 -0.028 0.000 2.423 229 Q HA 0.323 4.662 4.340 -0.000 0.000 0.231 229 Q C 0.081 176.068 176.000 -0.022 0.000 0.894 229 Q CA 0.155 55.944 55.803 -0.023 0.000 0.938 229 Q CB 0.672 29.396 28.738 -0.023 0.000 1.079 229 Q HN 0.405 nan 8.270 nan 0.000 0.552 230 K N 1.143 121.528 120.400 -0.025 0.000 2.463 230 K HA 0.354 4.674 4.320 -0.000 0.000 0.255 230 K C -0.880 175.704 176.600 -0.028 0.000 0.942 230 K CA -0.644 55.629 56.287 -0.024 0.000 0.814 230 K CB 2.406 34.891 32.500 -0.024 0.000 1.122 230 K HN 0.074 nan 8.250 nan 0.000 0.425 231 I N 1.119 121.674 120.570 -0.026 0.000 3.004 231 I HA 0.412 4.581 4.170 -0.000 0.000 0.287 231 I C 0.515 176.614 176.117 -0.029 0.000 1.144 231 I CA 0.703 61.986 61.300 -0.028 0.000 1.353 231 I CB 1.223 39.208 38.000 -0.025 0.000 1.417 231 I HN 0.749 nan 8.210 nan 0.000 0.602 232 G N 4.970 113.751 108.800 -0.032 0.000 2.596 232 G HA2 0.346 4.306 3.960 -0.000 0.000 0.296 232 G HA3 0.346 4.306 3.960 -0.000 0.000 0.296 232 G C -2.627 172.255 174.900 -0.030 0.000 1.513 232 G CA -0.490 44.592 45.100 -0.030 0.000 0.851 232 G HN 0.335 nan 8.290 nan 0.000 0.548 233 P HA 0.020 nan 4.420 nan 0.000 0.226 233 P C 0.546 177.838 177.300 -0.013 0.000 1.146 233 P CA 1.284 64.375 63.100 -0.016 0.000 0.773 233 P CB 0.350 32.045 31.700 -0.008 0.000 0.772 234 E N -1.852 118.335 120.200 -0.021 0.000 3.521 234 E HA 0.533 4.883 4.350 -0.000 0.000 0.183 234 E C 0.436 177.007 176.600 -0.049 0.000 0.981 234 E CA -0.628 55.760 56.400 -0.019 0.000 1.349 234 E CB -0.092 29.608 29.700 -0.000 0.000 1.102 234 E HN 0.063 nan 8.360 nan 0.000 0.449 235 G N 0.136 108.903 108.800 -0.056 0.000 2.354 235 G HA2 0.059 4.019 3.960 -0.000 0.000 0.582 235 G HA3 0.059 4.019 3.960 -0.000 0.000 0.582 235 G C -1.501 173.359 174.900 -0.066 0.000 1.316 235 G CA -0.958 44.099 45.100 -0.073 0.000 0.995 235 G HN 0.174 nan 8.290 nan 0.000 0.573 236 L N 0.285 121.467 121.223 -0.069 0.000 2.276 236 L HA 0.500 4.840 4.340 -0.000 0.000 0.286 236 L C 0.417 177.255 176.870 -0.054 0.000 1.061 236 L CA -0.988 53.818 54.840 -0.057 0.000 0.807 236 L CB 1.454 43.481 42.059 -0.054 0.000 1.177 236 L HN 0.362 nan 8.230 nan 0.000 0.429 237 V N 2.025 121.911 119.914 -0.046 0.000 2.304 237 V HA 0.169 4.288 4.120 -0.000 0.000 0.262 237 V C 0.684 176.755 176.094 -0.038 0.000 1.061 237 V CA -0.471 61.803 62.300 -0.043 0.000 0.872 237 V CB 0.580 32.380 31.823 -0.038 0.000 1.077 237 V HN 0.876 nan 8.190 nan 0.000 0.480 238 T N 2.179 116.709 114.554 -0.040 0.000 2.928 238 T HA 0.505 4.854 4.350 -0.000 0.000 0.284 238 T C -0.481 174.197 174.700 -0.037 0.000 1.008 238 T CA -0.602 61.474 62.100 -0.040 0.000 1.057 238 T CB 1.913 70.755 68.868 -0.043 0.000 1.018 238 T HN 0.618 nan 8.240 nan 0.000 0.493 239 Q N 2.638 122.414 119.800 -0.039 0.000 2.348 239 Q HA 0.440 4.780 4.340 -0.000 0.000 0.265 239 Q C -0.939 175.034 176.000 -0.045 0.000 0.998 239 Q CA -0.877 54.904 55.803 -0.036 0.000 0.831 239 Q CB 1.495 30.214 28.738 -0.032 0.000 1.251 239 Q HN 0.727 nan 8.270 nan 0.000 0.456 240 V N 4.840 124.730 119.914 -0.040 0.000 2.452 240 V HA -0.101 4.019 4.120 -0.000 0.000 0.286 240 V C 1.293 177.356 176.094 -0.051 0.000 0.995 240 V CA 0.823 63.095 62.300 -0.047 0.000 1.116 240 V CB 0.478 32.282 31.823 -0.032 0.000 0.954 240 V HN 0.916 nan 8.190 nan 0.000 0.473 241 E N 4.176 124.331 120.200 -0.075 0.000 2.190 241 E HA 0.006 4.356 4.350 -0.000 0.000 0.191 241 E C 0.469 177.032 176.600 -0.062 0.000 0.978 241 E CA 0.295 56.651 56.400 -0.073 0.000 0.839 241 E CB 0.377 30.016 29.700 -0.101 0.000 0.787 241 E HN 0.753 nan 8.360 nan 0.000 0.473 242 N N 0.063 118.718 118.700 -0.075 0.000 2.352 242 N HA 0.271 5.010 4.740 -0.000 0.000 0.291 242 N C -0.709 174.784 175.510 -0.028 0.000 1.040 242 N CA -0.179 52.846 53.050 -0.042 0.000 0.864 242 N CB 1.950 40.415 38.487 -0.037 0.000 1.440 242 N HN 0.078 nan 8.380 nan 0.000 0.483 243 G N -0.212 108.582 108.800 -0.011 0.000 2.552 243 G HA2 0.829 4.789 3.960 -0.000 0.000 0.318 243 G HA3 0.829 4.789 3.960 -0.000 0.000 0.318 243 G C -0.153 174.753 174.900 0.010 0.000 1.240 243 G CA -0.392 44.706 45.100 -0.002 0.000 1.002 243 G HN 0.671 nan 8.290 nan 0.000 0.493 244 G N -2.668 106.140 108.800 0.013 0.000 2.341 244 G HA2 0.400 4.360 3.960 -0.000 0.000 0.293 244 G HA3 0.400 4.360 3.960 -0.000 0.000 0.293 244 G C -1.381 173.532 174.900 0.022 0.000 1.298 244 G CA -0.355 44.757 45.100 0.020 0.000 0.868 244 G HN 1.086 nan 8.290 nan 0.000 0.540 245 V N 1.115 121.044 119.914 0.025 0.000 2.381 245 V HA 0.358 4.478 4.120 -0.000 0.000 0.257 245 V C 0.471 176.584 176.094 0.031 0.000 1.057 245 V CA -0.171 62.145 62.300 0.025 0.000 1.013 245 V CB 0.501 32.338 31.823 0.023 0.000 1.069 245 V HN 0.683 nan 8.190 nan 0.000 0.484 246 L N 5.947 127.189 121.223 0.033 0.000 2.326 246 L HA 0.807 5.147 4.340 -0.000 0.000 0.278 246 L C 0.619 177.513 176.870 0.040 0.000 1.092 246 L CA 0.691 55.556 54.840 0.041 0.000 0.810 246 L CB 1.103 43.188 42.059 0.043 0.000 1.153 246 L HN 0.589 nan 8.230 nan 0.000 0.439 247 G N 2.230 111.057 108.800 0.045 0.000 3.016 247 G HA2 0.500 4.459 3.960 -0.000 0.000 0.270 247 G HA3 0.500 4.459 3.960 -0.000 0.000 0.270 247 G C -1.083 173.849 174.900 0.052 0.000 1.352 247 G CA -0.648 44.477 45.100 0.041 0.000 1.060 247 G HN 0.603 nan 8.290 nan 0.000 0.538 248 S N -0.245 115.483 115.700 0.046 0.000 2.545 248 S HA 0.378 4.848 4.470 -0.000 0.000 0.275 248 S C 0.553 175.203 174.600 0.083 0.000 1.299 248 S CA -0.271 57.965 58.200 0.059 0.000 1.048 248 S CB 0.666 63.888 63.200 0.037 0.000 0.938 248 S HN 0.576 nan 8.310 nan 0.000 0.496 249 R N 1.039 121.607 120.500 0.113 0.000 3.267 249 R HA -0.135 4.204 4.340 -0.000 0.000 0.254 249 R C -0.810 175.579 176.300 0.149 0.000 0.993 249 R CA 0.611 56.798 56.100 0.144 0.000 0.670 249 R CB -1.302 29.085 30.300 0.145 0.000 1.125 249 R HN 0.546 nan 8.270 nan 0.000 0.434 250 K N -0.006 120.471 120.400 0.128 0.000 2.118 250 K HA 0.387 4.707 4.320 -0.000 0.000 0.254 250 K C 0.808 177.474 176.600 0.110 0.000 0.961 250 K CA -0.163 56.196 56.287 0.121 0.000 0.876 250 K CB 1.539 34.099 32.500 0.101 0.000 1.077 250 K HN 0.213 nan 8.250 nan 0.000 0.440 251 G N 0.680 109.546 108.800 0.110 0.000 2.491 251 G HA2 0.341 4.301 3.960 -0.000 0.000 0.242 251 G HA3 0.341 4.301 3.960 -0.000 0.000 0.242 251 G C -0.481 174.472 174.900 0.088 0.000 1.266 251 G CA -0.365 44.792 45.100 0.095 0.000 0.844 251 G HN 0.251 nan 8.290 nan 0.000 0.571 252 V N 2.248 122.201 119.914 0.065 0.000 2.823 252 V HA 0.484 4.603 4.120 -0.000 0.000 0.312 252 V C -0.303 175.824 176.094 0.055 0.000 1.072 252 V CA -1.089 61.253 62.300 0.069 0.000 0.937 252 V CB 2.159 34.008 31.823 0.043 0.000 1.013 252 V HN 0.790 nan 8.190 nan 0.000 0.430 253 N N 2.962 121.719 118.700 0.093 0.000 2.295 253 N HA 0.549 5.289 4.740 -0.000 0.000 0.293 253 N C -1.420 174.148 175.510 0.097 0.000 1.040 253 N CA -0.542 52.547 53.050 0.066 0.000 0.840 253 N CB 2.729 41.247 38.487 0.052 0.000 1.468 253 N HN 0.482 nan 8.380 nan 0.000 0.478 254 L N 2.756 124.004 121.223 0.042 0.000 2.504 254 L HA 0.408 4.748 4.340 -0.000 0.000 0.249 254 L C -2.385 174.514 176.870 0.048 0.000 1.120 254 L CA -1.633 53.243 54.840 0.060 0.000 0.997 254 L CB 0.405 42.486 42.059 0.037 0.000 1.349 254 L HN 0.169 nan 8.230 nan 0.000 0.439 255 P HA 0.170 nan 4.420 nan 0.000 0.272 255 P C 1.146 178.465 177.300 0.030 0.000 1.230 255 P CA 0.333 63.455 63.100 0.036 0.000 0.788 255 P CB 1.155 32.873 31.700 0.030 0.000 0.949 256 G N 0.826 109.627 108.800 0.001 0.000 2.693 256 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.240 256 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.240 256 G C 0.503 175.406 174.900 0.006 0.000 1.102 256 G CA 0.412 45.507 45.100 -0.007 0.000 0.694 256 G HN 0.907 nan 8.290 nan 0.000 0.531 257 A N 1.220 124.052 122.820 0.020 0.000 2.354 257 A HA 0.610 4.929 4.320 -0.000 0.000 0.281 257 A C 0.624 178.218 177.584 0.016 0.000 1.174 257 A CA 0.637 52.688 52.037 0.023 0.000 0.828 257 A CB 0.120 19.141 19.000 0.035 0.000 1.099 257 A HN 0.999 nan 8.150 nan 0.000 0.516 258 Q N 1.639 121.449 119.800 0.017 0.000 2.304 258 Q HA 0.482 4.822 4.340 -0.000 0.000 0.260 258 Q C -1.008 174.993 176.000 0.002 0.000 0.965 258 Q CA -0.600 55.209 55.803 0.009 0.000 0.898 258 Q CB 1.037 29.785 28.738 0.016 0.000 1.196 258 Q HN 0.300 nan 8.270 nan 0.000 0.402 259 V N 3.667 123.552 119.914 -0.047 0.000 2.304 259 V HA 0.003 4.123 4.120 -0.000 0.000 0.269 259 V C 0.422 176.467 176.094 -0.083 0.000 1.036 259 V CA -0.556 61.673 62.300 -0.118 0.000 0.840 259 V CB 0.556 32.191 31.823 -0.313 0.000 1.036 259 V HN 0.970 nan 8.190 nan 0.000 0.466 260 D N 3.053 123.466 120.400 0.022 0.000 2.384 260 D HA -0.121 4.518 4.640 -0.000 0.000 0.222 260 D C 0.735 177.048 176.300 0.022 0.000 0.976 260 D CA -0.018 54.005 54.000 0.037 0.000 0.915 260 D CB 0.026 40.871 40.800 0.075 0.000 0.896 260 D HN 0.346 nan 8.370 nan 0.000 0.523 261 L N 2.098 123.297 121.223 -0.041 0.000 2.601 261 L HA 0.123 4.463 4.340 -0.000 0.000 0.277 261 L C -1.964 174.861 176.870 -0.073 0.000 1.219 261 L CA -1.051 53.739 54.840 -0.083 0.000 0.915 261 L CB -0.204 41.661 42.059 -0.323 0.000 1.160 261 L HN -0.069 nan 8.230 nan 0.000 0.494 262 P HA 0.120 nan 4.420 nan 0.000 0.269 262 P C 0.662 177.948 177.300 -0.023 0.000 1.209 262 P CA -0.062 63.029 63.100 -0.016 0.000 0.776 262 P CB 0.607 32.309 31.700 0.003 0.000 0.876 263 G N 1.723 110.520 108.800 -0.005 0.000 2.418 263 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.217 263 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.217 263 G C 0.067 174.978 174.900 0.019 0.000 1.158 263 G CA 0.619 45.728 45.100 0.014 0.000 0.771 263 G HN 0.395 nan 8.290 nan 0.000 0.545 264 L N 1.804 123.036 121.223 0.015 0.000 2.318 264 L HA 0.419 4.759 4.340 -0.000 0.000 0.277 264 L C 0.412 177.294 176.870 0.019 0.000 1.008 264 L CA -0.664 54.187 54.840 0.019 0.000 0.846 264 L CB 1.637 43.705 42.059 0.016 0.000 1.220 264 L HN 0.183 nan 8.230 nan 0.000 0.423 265 S N 0.992 116.706 115.700 0.024 0.000 2.646 265 S HA 0.359 4.829 4.470 -0.000 0.000 0.276 265 S C 1.024 175.646 174.600 0.037 0.000 1.222 265 S CA -0.632 57.585 58.200 0.028 0.000 1.014 265 S CB 1.215 64.431 63.200 0.028 0.000 0.991 265 S HN 0.635 nan 8.310 nan 0.000 0.533 266 E N 0.363 120.587 120.200 0.039 0.000 2.086 266 E HA -0.293 4.057 4.350 -0.000 0.000 0.200 266 E C 1.967 178.604 176.600 0.062 0.000 1.012 266 E CA 1.807 58.234 56.400 0.046 0.000 0.812 266 E CB -0.208 29.518 29.700 0.043 0.000 0.743 266 E HN 0.728 nan 8.360 nan 0.000 0.453 267 Q N 1.072 120.910 119.800 0.064 0.000 2.077 267 Q HA -0.207 4.132 4.340 -0.000 0.000 0.206 267 Q C 1.547 177.612 176.000 0.109 0.000 0.989 267 Q CA 1.900 57.755 55.803 0.087 0.000 0.853 267 Q CB -0.243 28.539 28.738 0.074 0.000 0.907 267 Q HN 0.280 nan 8.270 nan 0.000 0.418 268 D N -0.971 119.476 120.400 0.078 0.000 2.158 268 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 268 D C 1.861 178.189 176.300 0.046 0.000 0.995 268 D CA 1.451 55.487 54.000 0.059 0.000 0.846 268 D CB -0.079 40.747 40.800 0.042 0.000 0.941 268 D HN 0.175 nan 8.370 nan 0.000 0.456 269 V N 1.065 121.011 119.914 0.053 0.000 2.307 269 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 269 V C 2.575 178.715 176.094 0.077 0.000 1.045 269 V CA 1.420 63.748 62.300 0.047 0.000 1.024 269 V CB -0.325 31.523 31.823 0.042 0.000 0.651 269 V HN 0.109 nan 8.190 nan 0.000 0.449 270 R N -0.139 120.436 120.500 0.126 0.000 2.083 270 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 270 R C 2.095 178.539 176.300 0.240 0.000 1.137 270 R CA 2.061 58.291 56.100 0.216 0.000 0.951 270 R CB -0.516 29.953 30.300 0.281 0.000 0.851 270 R HN 0.517 nan 8.270 nan 0.000 0.434 271 D N 0.533 121.051 120.400 0.198 0.000 2.104 271 D HA -0.163 4.476 4.640 -0.000 0.000 0.194 271 D C 1.959 178.194 176.300 -0.109 0.000 0.994 271 D CA 1.144 55.166 54.000 0.036 0.000 0.830 271 D CB -0.236 40.545 40.800 -0.032 0.000 0.959 271 D HN 0.161 nan 8.370 nan 0.000 0.452 272 L N 0.480 121.665 121.223 -0.063 0.000 2.017 272 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 272 L C 2.535 179.394 176.870 -0.020 0.000 1.073 272 L CA 0.960 55.757 54.840 -0.073 0.000 0.745 272 L CB -0.336 41.690 42.059 -0.055 0.000 0.894 272 L HN -0.014 nan 8.230 nan 0.000 0.432 273 R N -0.027 120.490 120.500 0.029 0.000 2.096 273 R HA -0.229 4.111 4.340 -0.000 0.000 0.240 273 R C 2.165 178.498 176.300 0.056 0.000 1.139 273 R CA 1.715 57.838 56.100 0.038 0.000 0.952 273 R CB -1.595 28.745 30.300 0.067 0.000 0.854 273 R HN 0.280 nan 8.270 nan 0.000 0.436 274 F N 1.656 121.569 119.950 -0.063 0.000 2.063 274 F HA -0.261 4.266 4.527 -0.001 0.000 0.298 274 F C 2.378 178.175 175.800 -0.006 0.000 1.105 274 F CA 2.174 60.138 58.000 -0.061 0.000 1.215 274 F CB -0.858 37.932 39.000 -0.350 0.000 0.972 274 F HN 0.165 nan 8.300 nan 0.000 0.483 275 G N 0.158 109.015 108.800 0.094 0.000 2.574 275 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.220 275 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.220 275 G C 1.665 176.516 174.900 -0.082 0.000 1.173 275 G CA 1.933 47.022 45.100 -0.018 0.000 0.772 275 G HN 0.409 nan 8.290 nan 0.000 0.585 276 V N 0.803 120.669 119.914 -0.079 0.000 2.261 276 V HA -0.209 3.910 4.120 -0.000 0.000 0.246 276 V C 2.615 178.634 176.094 -0.126 0.000 1.047 276 V CA 2.339 64.588 62.300 -0.086 0.000 1.015 276 V CB -0.846 30.935 31.823 -0.071 0.000 0.642 276 V HN 0.478 nan 8.190 nan 0.000 0.446 277 E N -0.505 119.596 120.200 -0.165 0.000 2.136 277 E HA -0.262 4.088 4.350 -0.000 0.000 0.202 277 E C 1.948 178.287 176.600 -0.435 0.000 1.019 277 E CA 1.731 57.964 56.400 -0.278 0.000 0.819 277 E CB -0.236 29.286 29.700 -0.297 0.000 0.739 277 E HN 0.727 nan 8.360 nan 0.000 0.458 278 H N -1.291 117.555 119.070 -0.373 0.000 2.551 278 H HA 0.154 4.710 4.556 -0.001 0.000 0.271 278 H C 0.977 176.201 175.328 -0.174 0.000 0.984 278 H CA 0.608 56.462 56.048 -0.323 0.000 1.164 278 H CB 1.042 30.492 29.762 -0.520 0.000 1.437 278 H HN 0.295 nan 8.280 nan 0.000 0.550 279 G N 2.190 110.950 108.800 -0.066 0.000 2.246 279 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.273 279 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.273 279 G C 0.660 175.549 174.900 -0.018 0.000 1.055 279 G CA 0.444 45.519 45.100 -0.041 0.000 0.851 279 G HN 0.396 nan 8.290 nan 0.000 0.500 280 V N -3.151 116.749 119.914 -0.023 0.000 3.178 280 V HA 0.457 4.577 4.120 -0.000 0.000 0.306 280 V C 1.046 177.113 176.094 -0.045 0.000 1.107 280 V CA 1.219 63.503 62.300 -0.028 0.000 1.195 280 V CB 0.924 32.719 31.823 -0.046 0.000 0.993 280 V HN 0.217 nan 8.190 nan 0.000 0.493 281 D N 1.542 121.909 120.400 -0.055 0.000 2.392 281 D HA 0.414 5.054 4.640 -0.000 0.000 0.206 281 D C -0.037 176.215 176.300 -0.080 0.000 1.046 281 D CA 0.468 54.439 54.000 -0.048 0.000 0.865 281 D CB 0.297 41.085 40.800 -0.020 0.000 0.969 281 D HN 0.613 nan 8.370 nan 0.000 0.509 282 I N 0.501 120.984 120.570 -0.145 0.000 2.680 282 I HA 0.206 4.376 4.170 -0.000 0.000 0.291 282 I C -1.290 174.660 176.117 -0.278 0.000 1.244 282 I CA -0.984 60.193 61.300 -0.205 0.000 1.042 282 I CB 3.037 40.855 38.000 -0.303 0.000 1.277 282 I HN -0.386 nan 8.210 nan 0.000 0.423 283 V N 5.862 125.663 119.914 -0.188 0.000 2.311 283 V HA 0.338 4.457 4.120 -0.000 0.000 0.275 283 V C -0.502 175.570 176.094 -0.038 0.000 1.022 283 V CA -0.406 61.805 62.300 -0.148 0.000 0.830 283 V CB 0.744 32.519 31.823 -0.080 0.000 1.012 283 V HN 0.339 nan 8.190 nan 0.000 0.452 284 F N 3.961 123.897 119.950 -0.024 0.000 2.462 284 F HA 0.448 4.974 4.527 -0.001 0.000 0.360 284 F C 0.935 176.719 175.800 -0.026 0.000 1.134 284 F CA -0.892 57.096 58.000 -0.020 0.000 1.148 284 F CB 0.404 39.399 39.000 -0.009 0.000 1.147 284 F HN 0.503 nan 8.300 nan 0.000 0.550 285 A N 3.565 126.475 122.820 0.150 0.000 2.269 285 A HA 0.524 4.843 4.320 -0.000 0.000 0.302 285 A C 0.485 178.103 177.584 0.056 0.000 1.266 285 A CA -0.469 51.614 52.037 0.077 0.000 0.894 285 A CB -0.017 19.010 19.000 0.044 0.000 1.147 285 A HN 0.638 nan 8.150 nan 0.000 0.537 286 S N 1.048 116.790 115.700 0.070 0.000 2.589 286 S HA 0.331 4.801 4.470 -0.000 0.000 0.265 286 S C 0.203 174.865 174.600 0.103 0.000 1.342 286 S CA -0.042 58.176 58.200 0.029 0.000 1.005 286 S CB -0.296 62.989 63.200 0.142 0.000 0.909 286 S HN 0.746 nan 8.310 nan 0.000 0.555 287 F N -0.807 119.144 119.950 0.002 0.000 3.021 287 F HA -0.168 4.359 4.527 -0.000 0.000 0.256 287 F C 0.429 176.225 175.800 -0.007 0.000 0.976 287 F CA -0.170 57.825 58.000 -0.008 0.000 0.861 287 F CB -2.029 36.959 39.000 -0.020 0.000 0.778 287 F HN 0.162 nan 8.300 nan 0.000 0.765 288 V N 1.237 121.197 119.914 0.076 0.000 2.458 288 V HA -0.048 4.071 4.120 -0.000 0.000 0.287 288 V C 1.331 177.454 176.094 0.049 0.000 1.009 288 V CA 0.645 62.976 62.300 0.051 0.000 1.091 288 V CB 0.848 32.678 31.823 0.012 0.000 0.960 288 V HN 0.385 nan 8.190 nan 0.000 0.476 289 R N 3.813 124.343 120.500 0.050 0.000 2.373 289 R HA 0.295 4.635 4.340 -0.000 0.000 0.221 289 R C 0.196 176.506 176.300 0.017 0.000 0.893 289 R CA -0.124 56.001 56.100 0.041 0.000 1.049 289 R CB 0.323 30.653 30.300 0.050 0.000 1.119 289 R HN 0.772 nan 8.270 nan 0.000 0.535 290 K N -1.634 118.769 120.400 0.005 0.000 2.622 290 K HA 0.476 4.796 4.320 -0.000 0.000 0.273 290 K C -0.088 176.502 176.600 -0.016 0.000 0.957 290 K CA -0.218 56.065 56.287 -0.007 0.000 0.861 290 K CB 0.980 33.480 32.500 0.001 0.000 1.405 290 K HN -0.149 nan 8.250 nan 0.000 0.406 291 A N 1.731 124.535 122.820 -0.027 0.000 1.929 291 A HA -0.319 4.000 4.320 -0.000 0.000 0.221 291 A C 2.198 179.770 177.584 -0.020 0.000 1.211 291 A CA 3.214 55.232 52.037 -0.032 0.000 0.657 291 A CB -1.439 17.542 19.000 -0.031 0.000 0.827 291 A HN 1.060 nan 8.150 nan 0.000 0.462 292 S N -0.430 115.263 115.700 -0.012 0.000 2.400 292 S HA -0.221 4.249 4.470 -0.000 0.000 0.232 292 S C 1.498 176.095 174.600 -0.005 0.000 1.025 292 S CA 1.588 59.784 58.200 -0.008 0.000 0.993 292 S CB -0.585 62.613 63.200 -0.003 0.000 0.808 292 S HN 0.543 nan 8.310 nan 0.000 0.478 293 D N 1.358 121.757 120.400 -0.002 0.000 2.104 293 D HA -0.097 4.542 4.640 -0.000 0.000 0.194 293 D C 2.195 178.494 176.300 -0.001 0.000 0.994 293 D CA 1.576 55.578 54.000 0.005 0.000 0.830 293 D CB -0.739 40.070 40.800 0.015 0.000 0.959 293 D HN 0.437 nan 8.370 nan 0.000 0.452 294 V N 0.473 120.381 119.914 -0.010 0.000 2.626 294 V HA -0.096 4.024 4.120 -0.000 0.000 0.252 294 V C 2.099 178.181 176.094 -0.020 0.000 1.067 294 V CA 1.917 64.208 62.300 -0.016 0.000 1.081 294 V CB -0.381 31.427 31.823 -0.024 0.000 0.686 294 V HN 0.138 nan 8.190 nan 0.000 0.468 295 A N 0.776 123.585 122.820 -0.017 0.000 1.873 295 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 295 A C 2.580 180.152 177.584 -0.020 0.000 1.193 295 A CA 2.888 54.914 52.037 -0.017 0.000 0.629 295 A CB -1.422 17.570 19.000 -0.012 0.000 0.826 295 A HN 1.054 nan 8.150 nan 0.000 0.447 296 A N -0.610 122.202 122.820 -0.013 0.000 1.859 296 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 296 A C 2.222 179.793 177.584 -0.021 0.000 1.198 296 A CA 2.183 54.212 52.037 -0.012 0.000 0.629 296 A CB -1.325 17.673 19.000 -0.003 0.000 0.830 296 A HN 0.602 nan 8.150 nan 0.000 0.446 297 V N -0.163 119.739 119.914 -0.019 0.000 2.313 297 V HA -0.364 3.755 4.120 -0.000 0.000 0.253 297 V C 2.663 178.726 176.094 -0.051 0.000 1.070 297 V CA 2.645 64.928 62.300 -0.029 0.000 1.057 297 V CB -0.868 30.942 31.823 -0.023 0.000 0.653 297 V HN 0.589 nan 8.190 nan 0.000 0.450 298 R N -0.534 119.932 120.500 -0.057 0.000 2.066 298 R HA -0.103 4.236 4.340 -0.000 0.000 0.232 298 R C 2.434 178.670 176.300 -0.107 0.000 1.131 298 R CA 1.524 57.568 56.100 -0.093 0.000 0.955 298 R CB -0.580 29.671 30.300 -0.081 0.000 0.851 298 R HN 0.536 nan 8.270 nan 0.000 0.432 299 A N 0.771 123.551 122.820 -0.067 0.000 1.851 299 A HA -0.201 4.118 4.320 -0.000 0.000 0.216 299 A C 2.349 179.902 177.584 -0.051 0.000 1.195 299 A CA 2.000 54.005 52.037 -0.053 0.000 0.622 299 A CB -1.116 17.868 19.000 -0.027 0.000 0.831 299 A HN 0.492 nan 8.150 nan 0.000 0.444 300 A N -0.916 121.882 122.820 -0.038 0.000 1.917 300 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 300 A C 2.060 179.616 177.584 -0.046 0.000 1.182 300 A CA 1.925 53.944 52.037 -0.029 0.000 0.633 300 A CB -0.684 18.304 19.000 -0.019 0.000 0.819 300 A HN 0.503 nan 8.150 nan 0.000 0.448 301 L N -1.190 119.990 121.223 -0.072 0.000 2.187 301 L HA 0.081 4.421 4.340 -0.000 0.000 0.213 301 L C 1.499 178.308 176.870 -0.102 0.000 1.100 301 L CA 1.426 56.211 54.840 -0.091 0.000 0.765 301 L CB -1.369 40.620 42.059 -0.117 0.000 0.904 301 L HN 0.833 nan 8.230 nan 0.000 0.437 302 G N -2.135 106.599 108.800 -0.110 0.000 2.888 302 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.441 302 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.441 302 G C -1.697 173.131 174.900 -0.121 0.000 1.461 302 G CA -0.267 44.779 45.100 -0.089 0.000 0.897 302 G HN 0.151 nan 8.290 nan 0.000 0.547 303 P HA -0.005 nan 4.420 nan 0.000 0.216 303 P C 1.523 178.858 177.300 0.059 0.000 1.153 303 P CA 1.721 64.850 63.100 0.050 0.000 0.848 303 P CB -0.017 31.723 31.700 0.067 0.000 0.787 304 E N -0.679 119.526 120.200 0.007 0.000 2.455 304 E HA -0.068 4.282 4.350 -0.000 0.000 0.202 304 E C 1.323 177.917 176.600 -0.010 0.000 1.045 304 E CA 1.240 57.640 56.400 -0.000 0.000 0.872 304 E CB -0.680 29.006 29.700 -0.023 0.000 0.792 304 E HN 0.331 nan 8.360 nan 0.000 0.542 305 G N -0.308 108.467 108.800 -0.042 0.000 4.379 305 G HA2 0.112 4.072 3.960 -0.000 0.000 0.290 305 G HA3 0.112 4.072 3.960 -0.000 0.000 0.290 305 G C 0.285 175.126 174.900 -0.099 0.000 1.065 305 G CA -0.461 44.598 45.100 -0.068 0.000 0.833 305 G HN 0.142 nan 8.290 nan 0.000 0.512 306 H N 0.110 119.162 119.070 -0.030 0.000 2.456 306 H HA -0.027 4.529 4.556 -0.001 0.000 0.296 306 H C 2.659 177.968 175.328 -0.032 0.000 1.079 306 H CA 1.820 57.850 56.048 -0.030 0.000 1.322 306 H CB 0.496 30.240 29.762 -0.031 0.000 1.388 306 H HN 0.395 nan 8.280 nan 0.000 0.538 307 G N 0.463 109.309 108.800 0.076 0.000 2.484 307 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.218 307 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.218 307 G C 0.599 175.503 174.900 0.006 0.000 1.130 307 G CA -0.052 45.069 45.100 0.034 0.000 0.784 307 G HN 0.234 nan 8.290 nan 0.000 0.543 308 I N 1.671 122.232 120.570 -0.015 0.000 2.598 308 I HA 0.075 4.245 4.170 -0.000 0.000 0.284 308 I C -0.027 176.072 176.117 -0.029 0.000 1.140 308 I CA -0.077 61.202 61.300 -0.035 0.000 1.420 308 I CB 0.697 38.662 38.000 -0.059 0.000 1.387 308 I HN -0.063 nan 8.210 nan 0.000 0.553 309 K N 7.668 128.052 120.400 -0.027 0.000 2.276 309 K HA 0.479 4.799 4.320 -0.000 0.000 0.283 309 K C -0.374 176.215 176.600 -0.017 0.000 1.044 309 K CA -0.319 55.959 56.287 -0.013 0.000 0.944 309 K CB 1.530 34.031 32.500 0.001 0.000 1.012 309 K HN 0.523 nan 8.250 nan 0.000 0.472 310 I N 4.932 125.500 120.570 -0.002 0.000 2.330 310 I HA 0.205 4.375 4.170 -0.000 0.000 0.286 310 I C -0.108 176.033 176.117 0.041 0.000 1.025 310 I CA -0.682 60.622 61.300 0.007 0.000 1.197 310 I CB 0.854 38.848 38.000 -0.010 0.000 1.358 310 I HN 0.235 nan 8.210 nan 0.000 0.467 311 I N 5.192 125.824 120.570 0.103 0.000 2.307 311 I HA 0.210 4.380 4.170 -0.000 0.000 0.289 311 I C 0.417 176.596 176.117 0.104 0.000 1.021 311 I CA -0.080 61.305 61.300 0.142 0.000 1.224 311 I CB 1.195 39.395 38.000 0.334 0.000 1.376 311 I HN 0.443 nan 8.210 nan 0.000 0.470 312 S N 6.885 122.606 115.700 0.033 0.000 2.499 312 S HA 0.258 4.727 4.470 -0.000 0.000 0.275 312 S C 0.274 174.867 174.600 -0.011 0.000 1.257 312 S CA -0.662 57.542 58.200 0.007 0.000 1.050 312 S CB 0.791 63.976 63.200 -0.026 0.000 0.937 312 S HN 0.359 nan 8.310 nan 0.000 0.490 313 K N 2.873 123.254 120.400 -0.032 0.000 2.258 313 K HA 0.333 4.653 4.320 -0.000 0.000 0.284 313 K C -0.588 175.958 176.600 -0.090 0.000 1.051 313 K CA -0.376 55.855 56.287 -0.094 0.000 0.923 313 K CB 0.653 33.064 32.500 -0.149 0.000 1.046 313 K HN 0.426 nan 8.250 nan 0.000 0.474 314 I N 3.112 123.638 120.570 -0.074 0.000 2.339 314 I HA 0.159 4.329 4.170 -0.000 0.000 0.290 314 I C 0.636 176.695 176.117 -0.097 0.000 0.994 314 I CA 0.094 61.372 61.300 -0.037 0.000 1.191 314 I CB 1.251 39.280 38.000 0.049 0.000 1.343 314 I HN 0.753 nan 8.210 nan 0.000 0.458 315 E N 4.184 124.321 120.200 -0.106 0.000 2.712 315 E HA 0.089 4.438 4.350 -0.000 0.000 0.221 315 E C -0.739 175.847 176.600 -0.023 0.000 0.943 315 E CA -0.145 56.160 56.400 -0.158 0.000 1.259 315 E CB 0.886 30.301 29.700 -0.475 0.000 1.167 315 E HN 0.818 nan 8.360 nan 0.000 0.569 316 N N -1.752 116.966 118.700 0.031 0.000 3.020 316 N HA 0.040 4.780 4.740 -0.000 0.000 0.248 316 N C 0.325 175.889 175.510 0.089 0.000 1.480 316 N CA -0.683 52.419 53.050 0.086 0.000 0.874 316 N CB 0.459 39.034 38.487 0.147 0.000 1.433 316 N HN -0.190 nan 8.380 nan 0.000 0.530 317 H N -0.187 118.891 119.070 0.013 0.000 2.265 317 H HA -0.221 4.335 4.556 -0.000 0.000 0.293 317 H C 1.112 176.450 175.328 0.016 0.000 1.089 317 H CA 2.773 58.823 56.048 0.004 0.000 1.244 317 H CB 0.219 29.982 29.762 0.002 0.000 1.355 317 H HN 0.822 nan 8.280 nan 0.000 0.485 318 E N -0.429 119.805 120.200 0.058 0.000 2.049 318 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 318 E C 2.505 179.093 176.600 -0.019 0.000 1.007 318 E CA 1.348 57.751 56.400 0.005 0.000 0.809 318 E CB -0.542 29.192 29.700 0.056 0.000 0.749 318 E HN 0.585 nan 8.360 nan 0.000 0.450 319 G N 0.217 109.027 108.800 0.018 0.000 2.505 319 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.220 319 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.220 319 G C 1.670 176.592 174.900 0.037 0.000 1.145 319 G CA 1.216 46.335 45.100 0.032 0.000 0.761 319 G HN 0.279 nan 8.290 nan 0.000 0.571 320 V N 0.517 120.411 119.914 -0.034 0.000 2.358 320 V HA -0.082 4.037 4.120 -0.000 0.000 0.246 320 V C 2.816 178.863 176.094 -0.078 0.000 1.047 320 V CA 1.803 64.062 62.300 -0.068 0.000 1.035 320 V CB -0.245 31.492 31.823 -0.143 0.000 0.658 320 V HN 0.191 nan 8.190 nan 0.000 0.452 321 K N 0.357 120.654 120.400 -0.172 0.000 2.211 321 K HA -0.025 4.295 4.320 -0.000 0.000 0.203 321 K C 1.836 178.423 176.600 -0.022 0.000 1.050 321 K CA 1.075 57.282 56.287 -0.132 0.000 0.945 321 K CB -0.194 32.189 32.500 -0.195 0.000 0.732 321 K HN 0.459 nan 8.250 nan 0.000 0.451 322 R N -0.744 119.761 120.500 0.009 0.000 2.468 322 R HA 0.112 4.451 4.340 -0.000 0.000 0.280 322 R C 1.479 177.802 176.300 0.039 0.000 0.963 322 R CA -0.325 55.786 56.100 0.018 0.000 1.083 322 R CB -0.152 30.146 30.300 -0.002 0.000 1.200 322 R HN 0.026 nan 8.270 nan 0.000 0.541 323 F N 2.819 122.733 119.950 -0.060 0.000 2.063 323 F HA -0.344 4.182 4.527 -0.001 0.000 0.298 323 F C 1.576 177.351 175.800 -0.041 0.000 1.105 323 F CA 2.040 60.008 58.000 -0.053 0.000 1.215 323 F CB 0.047 39.010 39.000 -0.063 0.000 0.972 323 F HN -0.012 nan 8.300 nan 0.000 0.483 324 D N 0.073 120.521 120.400 0.080 0.000 2.123 324 D HA -0.238 4.402 4.640 -0.000 0.000 0.196 324 D C 2.208 178.428 176.300 -0.133 0.000 0.992 324 D CA 1.725 55.710 54.000 -0.026 0.000 0.833 324 D CB -0.551 40.288 40.800 0.065 0.000 0.954 324 D HN 0.727 nan 8.370 nan 0.000 0.455 325 E N 0.820 120.964 120.200 -0.093 0.000 2.047 325 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 325 E C 2.322 178.836 176.600 -0.143 0.000 0.987 325 E CA 0.729 57.075 56.400 -0.091 0.000 0.799 325 E CB -0.470 29.200 29.700 -0.051 0.000 0.752 325 E HN 0.238 nan 8.360 nan 0.000 0.449 326 I N 1.419 121.879 120.570 -0.184 0.000 2.151 326 I HA -0.294 3.875 4.170 -0.000 0.000 0.243 326 I C 2.864 178.808 176.117 -0.288 0.000 1.080 326 I CA 1.089 62.264 61.300 -0.209 0.000 1.339 326 I CB -0.568 37.315 38.000 -0.194 0.000 1.039 326 I HN 0.263 nan 8.210 nan 0.000 0.409 327 L N 0.885 121.807 121.223 -0.502 0.000 1.990 327 L HA -0.296 4.044 4.340 -0.000 0.000 0.213 327 L C 2.623 179.357 176.870 -0.227 0.000 1.072 327 L CA 1.962 56.523 54.840 -0.464 0.000 0.755 327 L CB -0.411 41.257 42.059 -0.653 0.000 0.889 327 L HN 0.346 nan 8.230 nan 0.000 0.432 328 E N -0.927 119.166 120.200 -0.179 0.000 2.114 328 E HA -0.264 4.085 4.350 -0.000 0.000 0.199 328 E C 2.025 178.578 176.600 -0.079 0.000 1.008 328 E CA 1.777 58.117 56.400 -0.101 0.000 0.810 328 E CB 0.031 29.684 29.700 -0.078 0.000 0.739 328 E HN 0.342 nan 8.360 nan 0.000 0.456 329 V N 0.246 120.108 119.914 -0.086 0.000 3.306 329 V HA -0.014 4.106 4.120 -0.000 0.000 0.264 329 V C 0.266 176.326 176.094 -0.056 0.000 1.149 329 V CA 0.447 62.711 62.300 -0.060 0.000 1.143 329 V CB 0.523 32.313 31.823 -0.056 0.000 0.767 329 V HN 0.093 nan 8.190 nan 0.000 0.476 330 S N -0.311 115.345 115.700 -0.074 0.000 2.681 330 S HA 0.318 4.788 4.470 -0.000 0.000 0.299 330 S C 0.492 175.069 174.600 -0.037 0.000 1.113 330 S CA -0.656 57.511 58.200 -0.055 0.000 1.013 330 S CB 1.393 64.550 63.200 -0.071 0.000 1.076 330 S HN 0.328 nan 8.310 nan 0.000 0.534 331 D N 0.708 121.100 120.400 -0.014 0.000 2.363 331 D HA 0.246 4.886 4.640 -0.000 0.000 0.220 331 D C 0.899 177.202 176.300 0.006 0.000 0.994 331 D CA 0.638 54.639 54.000 0.001 0.000 0.890 331 D CB 0.201 41.009 40.800 0.013 0.000 0.906 331 D HN 0.686 nan 8.370 nan 0.000 0.530 332 G N -0.263 108.537 108.800 -0.001 0.000 2.327 332 G HA2 0.312 4.272 3.960 -0.000 0.000 0.291 332 G HA3 0.312 4.272 3.960 -0.000 0.000 0.291 332 G C -1.851 173.057 174.900 0.014 0.000 1.290 332 G CA -0.771 44.336 45.100 0.012 0.000 0.857 332 G HN -0.034 nan 8.290 nan 0.000 0.520 333 I N 0.208 120.798 120.570 0.033 0.000 2.894 333 I HA 0.609 4.779 4.170 -0.000 0.000 0.302 333 I C -0.501 175.616 176.117 0.000 0.000 1.188 333 I CA -0.699 60.622 61.300 0.035 0.000 1.014 333 I CB 2.167 40.236 38.000 0.115 0.000 1.242 333 I HN 0.766 nan 8.210 nan 0.000 0.430 334 M N 4.555 124.127 119.600 -0.046 0.000 2.253 334 M HA 0.460 4.939 4.480 -0.000 0.000 0.314 334 M C -1.524 174.722 176.300 -0.090 0.000 1.019 334 M CA -0.674 54.549 55.300 -0.127 0.000 0.932 334 M CB 1.796 34.225 32.600 -0.284 0.000 1.606 334 M HN 0.267 nan 8.290 nan 0.000 0.430 335 V N 5.141 125.007 119.914 -0.080 0.000 2.326 335 V HA 0.264 4.384 4.120 -0.000 0.000 0.249 335 V C 0.608 176.642 176.094 -0.100 0.000 1.114 335 V CA -0.334 61.923 62.300 -0.072 0.000 1.028 335 V CB 0.040 31.826 31.823 -0.062 0.000 1.170 335 V HN 0.875 nan 8.190 nan 0.000 0.494 336 A N 5.552 128.299 122.820 -0.122 0.000 2.906 336 A HA 0.301 4.620 4.320 -0.000 0.000 0.289 336 A C 1.395 178.913 177.584 -0.111 0.000 1.675 336 A CA -0.344 51.605 52.037 -0.146 0.000 1.372 336 A CB -0.372 18.501 19.000 -0.212 0.000 1.091 336 A HN 0.867 nan 8.150 nan 0.000 0.579 337 R N 1.538 121.991 120.500 -0.079 0.000 2.237 337 R HA -0.042 4.298 4.340 -0.000 0.000 0.219 337 R C 2.130 178.402 176.300 -0.046 0.000 1.080 337 R CA 1.100 57.167 56.100 -0.054 0.000 0.995 337 R CB -0.049 30.233 30.300 -0.031 0.000 0.875 337 R HN 0.680 nan 8.270 nan 0.000 0.462 338 G N 1.350 110.121 108.800 -0.049 0.000 2.637 338 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.215 338 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.215 338 G C 0.914 175.794 174.900 -0.032 0.000 1.289 338 G CA 1.022 46.105 45.100 -0.028 0.000 0.816 338 G HN 0.178 nan 8.290 nan 0.000 0.580 339 D N 0.212 120.584 120.400 -0.046 0.000 2.103 339 D HA -0.149 4.491 4.640 -0.000 0.000 0.190 339 D C 2.488 178.770 176.300 -0.031 0.000 0.997 339 D CA 1.342 55.333 54.000 -0.016 0.000 0.833 339 D CB -0.325 40.445 40.800 -0.050 0.000 0.961 339 D HN 0.118 nan 8.370 nan 0.000 0.447 340 L N 1.319 122.506 121.223 -0.060 0.000 2.103 340 L HA -0.147 4.193 4.340 -0.000 0.000 0.215 340 L C 2.223 179.069 176.870 -0.039 0.000 1.080 340 L CA 2.158 56.972 54.840 -0.044 0.000 0.764 340 L CB -0.967 41.057 42.059 -0.057 0.000 0.890 340 L HN 0.055 nan 8.230 nan 0.000 0.435 341 G N -1.622 107.152 108.800 -0.043 0.000 2.776 341 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.209 341 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.209 341 G C 1.371 176.223 174.900 -0.080 0.000 1.145 341 G CA 0.849 45.923 45.100 -0.043 0.000 0.791 341 G HN 0.537 nan 8.290 nan 0.000 0.530 342 I N -0.998 119.506 120.570 -0.110 0.000 3.883 342 I HA 0.156 4.326 4.170 -0.000 0.000 0.305 342 I C 2.073 178.059 176.117 -0.219 0.000 1.247 342 I CA 0.044 61.206 61.300 -0.231 0.000 1.350 342 I CB 0.252 38.103 38.000 -0.248 0.000 1.194 342 I HN -0.096 nan 8.210 nan 0.000 0.441 343 E N 2.015 122.157 120.200 -0.097 0.000 2.152 343 E HA 0.029 4.379 4.350 -0.000 0.000 0.192 343 E C 0.888 177.464 176.600 -0.040 0.000 0.983 343 E CA 0.884 57.257 56.400 -0.046 0.000 0.818 343 E CB 0.240 29.957 29.700 0.028 0.000 0.758 343 E HN 0.534 nan 8.360 nan 0.000 0.467 344 I N -1.776 118.775 120.570 -0.032 0.000 2.797 344 I HA 0.465 4.635 4.170 -0.000 0.000 0.307 344 I C -2.647 173.447 176.117 -0.038 0.000 1.033 344 I CA -2.946 58.344 61.300 -0.017 0.000 1.071 344 I CB 1.837 39.857 38.000 0.034 0.000 1.255 344 I HN -0.348 nan 8.210 nan 0.000 0.445 345 P HA 0.028 nan 4.420 nan 0.000 0.265 345 P C 0.453 177.752 177.300 -0.001 0.000 1.187 345 P CA 0.189 63.281 63.100 -0.013 0.000 0.766 345 P CB 0.852 32.555 31.700 0.005 0.000 0.820 346 A N 3.837 126.658 122.820 0.002 0.000 1.948 346 A HA -0.244 4.075 4.320 -0.000 0.000 0.220 346 A C 1.659 179.283 177.584 0.066 0.000 1.177 346 A CA 1.750 53.800 52.037 0.022 0.000 0.636 346 A CB -1.086 17.926 19.000 0.020 0.000 0.815 346 A HN 0.580 nan 8.150 nan 0.000 0.449 347 E N -0.053 120.194 120.200 0.078 0.000 2.396 347 E HA -0.121 4.229 4.350 -0.000 0.000 0.200 347 E C 1.594 178.322 176.600 0.213 0.000 1.023 347 E CA 1.326 57.812 56.400 0.143 0.000 0.857 347 E CB -0.152 29.619 29.700 0.118 0.000 0.775 347 E HN 0.690 nan 8.360 nan 0.000 0.525 348 K N -0.485 119.968 120.400 0.087 0.000 2.367 348 K HA 0.126 4.446 4.320 -0.000 0.000 0.195 348 K C 1.684 178.217 176.600 -0.111 0.000 1.060 348 K CA 0.047 56.310 56.287 -0.040 0.000 1.022 348 K CB 0.520 32.989 32.500 -0.052 0.000 0.894 348 K HN -0.071 nan 8.250 nan 0.000 0.540 349 V N 2.357 122.270 119.914 -0.003 0.000 2.278 349 V HA -0.341 3.778 4.120 -0.000 0.000 0.251 349 V C 2.132 178.199 176.094 -0.044 0.000 1.062 349 V CA 2.353 64.640 62.300 -0.022 0.000 1.038 349 V CB -0.760 31.076 31.823 0.021 0.000 0.646 349 V HN 0.358 nan 8.190 nan 0.000 0.447 350 F N 0.779 120.710 119.950 -0.033 0.000 2.087 350 F HA -0.248 4.279 4.527 -0.001 0.000 0.299 350 F C 2.039 177.812 175.800 -0.046 0.000 1.100 350 F CA 1.946 59.925 58.000 -0.034 0.000 1.226 350 F CB -1.435 37.551 39.000 -0.023 0.000 0.983 350 F HN 0.108 nan 8.300 nan 0.000 0.479 351 L N 0.981 121.505 121.223 -1.164 0.000 1.990 351 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 351 L C 3.071 179.714 176.870 -0.378 0.000 1.072 351 L CA 1.660 56.038 54.840 -0.771 0.000 0.755 351 L CB -1.482 40.131 42.059 -0.743 0.000 0.889 351 L HN 0.407 nan 8.230 nan 0.000 0.432 352 A N -0.556 122.084 122.820 -0.300 0.000 1.908 352 A HA -0.313 4.006 4.320 -0.000 0.000 0.218 352 A C 2.314 179.769 177.584 -0.215 0.000 1.181 352 A CA 2.192 54.089 52.037 -0.235 0.000 0.627 352 A CB -0.681 18.215 19.000 -0.172 0.000 0.818 352 A HN 0.588 nan 8.150 nan 0.000 0.445 353 Q N -0.381 119.328 119.800 -0.152 0.000 2.049 353 Q HA -0.166 4.174 4.340 -0.000 0.000 0.198 353 Q C 1.949 177.887 176.000 -0.103 0.000 0.971 353 Q CA 1.708 57.450 55.803 -0.102 0.000 0.833 353 Q CB -0.174 28.544 28.738 -0.033 0.000 0.896 353 Q HN 0.648 nan 8.270 nan 0.000 0.434 354 K N 0.021 120.370 120.400 -0.085 0.000 2.148 354 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 354 K C 2.183 178.713 176.600 -0.117 0.000 1.050 354 K CA 1.216 57.465 56.287 -0.062 0.000 0.942 354 K CB -0.135 32.363 32.500 -0.003 0.000 0.724 354 K HN 0.331 nan 8.250 nan 0.000 0.446 355 M N 0.824 120.313 119.600 -0.185 0.000 2.064 355 M HA -0.136 4.343 4.480 -0.000 0.000 0.260 355 M C 1.963 178.073 176.300 -0.316 0.000 1.073 355 M CA 1.789 56.949 55.300 -0.234 0.000 1.124 355 M CB -0.321 32.113 32.600 -0.275 0.000 1.326 355 M HN 0.142 nan 8.290 nan 0.000 0.410 356 M N 0.129 119.460 119.600 -0.448 0.000 2.080 356 M HA -0.252 4.228 4.480 -0.000 0.000 0.260 356 M C 2.177 178.377 176.300 -0.167 0.000 1.068 356 M CA 1.765 56.709 55.300 -0.593 0.000 1.109 356 M CB -0.753 31.504 32.600 -0.572 0.000 1.342 356 M HN 0.267 nan 8.290 nan 0.000 0.405 357 I N 0.145 120.654 120.570 -0.103 0.000 2.194 357 I HA -0.248 3.922 4.170 -0.000 0.000 0.246 357 I C 2.625 178.730 176.117 -0.020 0.000 1.093 357 I CA 1.552 62.834 61.300 -0.030 0.000 1.355 357 I CB -0.974 37.009 38.000 -0.028 0.000 1.046 357 I HN 0.404 nan 8.210 nan 0.000 0.413 358 G N 0.340 109.110 108.800 -0.050 0.000 2.459 358 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 358 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 358 G C 1.770 176.667 174.900 -0.005 0.000 1.183 358 G CA 0.719 45.798 45.100 -0.035 0.000 0.776 358 G HN 0.230 nan 8.290 nan 0.000 0.552 359 R N -0.649 119.853 120.500 0.003 0.000 2.083 359 R HA -0.054 4.286 4.340 -0.000 0.000 0.237 359 R C 2.791 179.171 176.300 0.135 0.000 1.137 359 R CA 1.537 57.696 56.100 0.099 0.000 0.951 359 R CB -0.909 29.524 30.300 0.222 0.000 0.851 359 R HN 0.409 nan 8.270 nan 0.000 0.434 360 C N 0.369 119.771 119.300 0.171 0.000 2.393 360 C HA -0.158 4.302 4.460 -0.000 0.000 0.276 360 C C 2.201 177.217 174.990 0.042 0.000 1.215 360 C CA 1.158 60.245 59.018 0.116 0.000 1.743 360 C CB -1.326 26.488 27.740 0.122 0.000 2.044 360 C HN 0.618 nan 8.230 nan 0.000 0.464 361 N N 0.357 119.072 118.700 0.025 0.000 2.060 361 N HA -0.229 4.511 4.740 -0.000 0.000 0.195 361 N C 1.552 177.053 175.510 -0.014 0.000 1.028 361 N CA 1.395 54.444 53.050 -0.001 0.000 0.861 361 N CB -0.320 38.167 38.487 -0.001 0.000 1.029 361 N HN 0.369 nan 8.380 nan 0.000 0.428 362 L N 0.921 122.146 121.223 0.003 0.000 2.079 362 L HA -0.125 4.214 4.340 -0.000 0.000 0.210 362 L C 2.105 178.967 176.870 -0.013 0.000 1.081 362 L CA 1.450 56.289 54.840 -0.001 0.000 0.752 362 L CB -0.316 41.753 42.059 0.016 0.000 0.896 362 L HN 0.114 nan 8.230 nan 0.000 0.433 363 A N -1.545 121.274 122.820 -0.002 0.000 2.178 363 A HA 0.362 4.682 4.320 -0.000 0.000 0.211 363 A C 1.588 179.149 177.584 -0.038 0.000 1.157 363 A CA 0.579 52.608 52.037 -0.013 0.000 0.780 363 A CB -0.612 18.386 19.000 -0.003 0.000 0.828 363 A HN 0.643 nan 8.150 nan 0.000 0.476 364 G N -0.146 108.621 108.800 -0.054 0.000 2.198 364 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.257 364 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.257 364 G C -0.060 174.812 174.900 -0.046 0.000 1.042 364 G CA 0.567 45.618 45.100 -0.082 0.000 0.791 364 G HN 0.582 nan 8.290 nan 0.000 0.502 365 K N 0.112 120.500 120.400 -0.020 0.000 2.203 365 K HA 0.495 4.815 4.320 -0.000 0.000 0.251 365 K C -2.665 173.939 176.600 0.007 0.000 0.944 365 K CA -2.213 54.071 56.287 -0.005 0.000 0.829 365 K CB 2.063 34.559 32.500 -0.006 0.000 1.125 365 K HN -0.060 nan 8.250 nan 0.000 0.430 366 P HA -0.026 nan 4.420 nan 0.000 0.265 366 P C -0.997 176.323 177.300 0.033 0.000 1.193 366 P CA -0.223 62.892 63.100 0.024 0.000 0.765 366 P CB 0.609 32.334 31.700 0.042 0.000 0.823 367 V N 5.059 124.990 119.914 0.029 0.000 2.588 367 V HA 0.368 4.488 4.120 -0.000 0.000 0.304 367 V C -0.777 175.321 176.094 0.006 0.000 1.042 367 V CA -0.792 61.525 62.300 0.027 0.000 0.877 367 V CB 2.165 34.011 31.823 0.037 0.000 0.996 367 V HN 0.131 nan 8.190 nan 0.000 0.425 368 V N 6.264 126.165 119.914 -0.021 0.000 2.427 368 V HA 0.419 4.539 4.120 -0.000 0.000 0.286 368 V C 0.159 176.209 176.094 -0.072 0.000 1.034 368 V CA -0.506 61.757 62.300 -0.060 0.000 0.893 368 V CB 1.447 33.179 31.823 -0.153 0.000 0.982 368 V HN 1.015 nan 8.190 nan 0.000 0.452 369 C N 5.456 124.723 119.300 -0.055 0.000 2.319 369 C HA 0.911 5.371 4.460 -0.000 0.000 0.335 369 C C 0.366 175.318 174.990 -0.062 0.000 1.274 369 C CA 0.005 58.992 59.018 -0.051 0.000 1.806 369 C CB -0.313 27.413 27.740 -0.024 0.000 2.329 369 C HN 1.112 nan 8.230 nan 0.000 0.524 370 A N 4.176 126.955 122.820 -0.070 0.000 2.556 370 A HA 0.919 5.239 4.320 -0.000 0.000 0.294 370 A C -0.240 177.315 177.584 -0.048 0.000 1.091 370 A CA -0.087 51.905 52.037 -0.074 0.000 0.704 370 A CB 1.030 19.950 19.000 -0.134 0.000 1.300 370 A HN 1.575 nan 8.150 nan 0.000 0.406 371 T N 0.928 115.464 114.554 -0.030 0.000 0.571 371 T HA -0.084 4.265 4.350 -0.000 0.000 0.771 371 T C 0.100 174.800 174.700 -0.000 0.000 0.992 371 T CA 0.731 62.824 62.100 -0.013 0.000 4.060 371 T CB -1.356 67.497 68.868 -0.024 0.000 2.294 371 T HN 1.655 nan 8.240 nan 0.000 0.396 372 Q N -0.014 119.794 119.800 0.013 0.000 2.468 372 Q HA -0.278 4.062 4.340 -0.000 0.000 0.256 372 Q C 1.510 177.519 176.000 0.016 0.000 0.984 372 Q CA 1.526 57.340 55.803 0.018 0.000 1.110 372 Q CB -1.069 27.679 28.738 0.017 0.000 1.527 372 Q HN 0.853 nan 8.270 nan 0.000 0.535 373 M N -1.007 118.602 119.600 0.015 0.000 2.296 373 M HA -0.104 4.375 4.480 -0.000 0.000 0.265 373 M C 0.578 176.888 176.300 0.018 0.000 1.064 373 M CA 1.079 56.388 55.300 0.014 0.000 1.109 373 M CB 0.209 32.817 32.600 0.013 0.000 1.396 373 M HN 0.110 nan 8.290 nan 0.000 0.430 374 L N -0.186 121.051 121.223 0.024 0.000 3.291 374 L HA 0.209 4.549 4.340 -0.000 0.000 0.307 374 L C 1.217 178.107 176.870 0.033 0.000 1.303 374 L CA 0.150 55.006 54.840 0.026 0.000 0.949 374 L CB -0.114 41.965 42.059 0.033 0.000 1.375 374 L HN 0.044 nan 8.230 nan 0.000 0.596 375 E N 0.284 120.503 120.200 0.031 0.000 2.033 375 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 375 E C 1.900 178.526 176.600 0.044 0.000 1.011 375 E CA 1.927 58.350 56.400 0.038 0.000 0.815 375 E CB 0.065 29.785 29.700 0.033 0.000 0.755 375 E HN 0.601 nan 8.360 nan 0.000 0.451 376 S N 0.708 116.427 115.700 0.031 0.000 2.440 376 S HA -0.147 4.323 4.470 -0.000 0.000 0.240 376 S C 1.909 176.535 174.600 0.043 0.000 1.014 376 S CA 1.055 59.273 58.200 0.031 0.000 0.980 376 S CB -0.407 62.800 63.200 0.011 0.000 0.775 376 S HN 0.215 nan 8.310 nan 0.000 0.499 377 M N 0.502 120.129 119.600 0.046 0.000 2.700 377 M HA 0.173 4.653 4.480 -0.000 0.000 0.249 377 M C 1.506 177.914 176.300 0.181 0.000 1.082 377 M CA 0.679 56.024 55.300 0.074 0.000 1.077 377 M CB -0.583 32.052 32.600 0.057 0.000 1.477 377 M HN 0.343 nan 8.290 nan 0.000 0.529 378 I N -0.492 120.160 120.570 0.135 0.000 2.493 378 I HA -0.231 3.939 4.170 -0.000 0.000 0.254 378 I C 1.838 178.068 176.117 0.189 0.000 1.160 378 I CA 1.150 62.534 61.300 0.140 0.000 1.445 378 I CB -0.061 37.989 38.000 0.084 0.000 1.086 378 I HN 0.256 nan 8.210 nan 0.000 0.433 379 T N -0.804 113.869 114.554 0.198 0.000 2.989 379 T HA 0.173 4.523 4.350 -0.000 0.000 0.250 379 T C 0.429 175.291 174.700 0.270 0.000 0.981 379 T CA -0.042 62.183 62.100 0.207 0.000 0.980 379 T CB 0.587 69.522 68.868 0.112 0.000 1.133 379 T HN 0.099 nan 8.240 nan 0.000 0.489 380 K N 1.592 122.059 120.400 0.112 0.000 2.208 380 K HA 0.411 4.731 4.320 -0.000 0.000 0.247 380 K C -2.462 173.840 176.600 -0.497 0.000 0.953 380 K CA -2.199 54.026 56.287 -0.104 0.000 0.837 380 K CB 1.592 34.048 32.500 -0.073 0.000 1.131 380 K HN -0.211 nan 8.250 nan 0.000 0.431 381 P HA 0.025 nan 4.420 nan 0.000 0.245 381 P C -0.511 176.515 177.300 -0.455 0.000 1.212 381 P CA 0.544 62.957 63.100 -1.145 0.000 0.774 381 P CB 0.456 31.615 31.700 -0.902 0.000 0.999 382 R N 0.166 120.498 120.500 -0.280 0.000 2.686 382 R HA 0.489 4.829 4.340 -0.000 0.000 0.283 382 R C -2.837 173.407 176.300 -0.094 0.000 0.978 382 R CA -2.335 53.678 56.100 -0.146 0.000 0.897 382 R CB 1.013 31.246 30.300 -0.113 0.000 1.192 382 R HN -0.047 nan 8.270 nan 0.000 0.457 383 P HA 0.205 nan 4.420 nan 0.000 0.281 383 P C -0.139 177.145 177.300 -0.026 0.000 1.264 383 P CA -0.362 62.719 63.100 -0.031 0.000 0.824 383 P CB 0.597 32.287 31.700 -0.016 0.000 1.092 384 T N -1.179 113.365 114.554 -0.017 0.000 2.788 384 T HA 0.209 4.559 4.350 -0.000 0.000 0.287 384 T C 1.422 176.113 174.700 -0.014 0.000 1.007 384 T CA -0.599 61.492 62.100 -0.015 0.000 1.005 384 T CB 0.418 69.280 68.868 -0.010 0.000 1.012 384 T HN 0.178 nan 8.240 nan 0.000 0.530 385 R N 0.638 121.129 120.500 -0.015 0.000 2.148 385 R HA 0.033 4.373 4.340 -0.000 0.000 0.227 385 R C 2.539 178.830 176.300 -0.014 0.000 1.103 385 R CA 1.327 57.418 56.100 -0.015 0.000 0.983 385 R CB -1.621 28.669 30.300 -0.017 0.000 0.874 385 R HN 0.840 nan 8.270 nan 0.000 0.451 386 A N 1.379 124.192 122.820 -0.013 0.000 1.929 386 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 386 A C 1.960 179.539 177.584 -0.007 0.000 1.176 386 A CA 1.002 53.032 52.037 -0.012 0.000 0.628 386 A CB -0.153 18.840 19.000 -0.012 0.000 0.816 386 A HN 0.351 nan 8.150 nan 0.000 0.444 387 E N -0.812 119.386 120.200 -0.004 0.000 2.072 387 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 387 E C 1.974 178.575 176.600 0.001 0.000 0.985 387 E CA 1.342 57.742 56.400 0.001 0.000 0.801 387 E CB -0.462 29.240 29.700 0.004 0.000 0.750 387 E HN 0.471 nan 8.360 nan 0.000 0.452 388 T N 0.743 115.296 114.554 -0.002 0.000 2.597 388 T HA -0.269 4.081 4.350 -0.000 0.000 0.267 388 T C 2.102 176.802 174.700 -0.001 0.000 1.053 388 T CA 1.863 63.962 62.100 -0.002 0.000 1.165 388 T CB -0.424 68.440 68.868 -0.007 0.000 0.863 388 T HN 0.189 nan 8.240 nan 0.000 0.427 389 S N 0.558 116.255 115.700 -0.005 0.000 2.370 389 S HA -0.198 4.271 4.470 -0.000 0.000 0.226 389 S C 1.895 176.495 174.600 0.000 0.000 1.033 389 S CA 2.192 60.389 58.200 -0.005 0.000 1.011 389 S CB -0.644 62.549 63.200 -0.012 0.000 0.852 389 S HN 0.545 nan 8.310 nan 0.000 0.457 390 D N 0.313 120.714 120.400 0.001 0.000 2.104 390 D HA -0.093 4.547 4.640 -0.000 0.000 0.194 390 D C 1.937 178.244 176.300 0.011 0.000 0.994 390 D CA 1.480 55.484 54.000 0.006 0.000 0.830 390 D CB -0.459 40.344 40.800 0.006 0.000 0.959 390 D HN 0.294 nan 8.370 nan 0.000 0.452 391 V N 0.887 120.807 119.914 0.011 0.000 2.231 391 V HA -0.301 3.818 4.120 -0.000 0.000 0.248 391 V C 2.598 178.702 176.094 0.016 0.000 1.054 391 V CA 2.149 64.457 62.300 0.014 0.000 1.015 391 V CB -1.143 30.689 31.823 0.014 0.000 0.638 391 V HN 0.370 nan 8.190 nan 0.000 0.444 392 A N 0.307 123.135 122.820 0.014 0.000 1.859 392 A HA -0.296 4.023 4.320 -0.000 0.000 0.217 392 A C 2.046 179.646 177.584 0.028 0.000 1.198 392 A CA 2.312 54.361 52.037 0.019 0.000 0.629 392 A CB -0.905 18.103 19.000 0.015 0.000 0.830 392 A HN 0.647 nan 8.150 nan 0.000 0.446 393 N N 0.150 118.866 118.700 0.026 0.000 2.272 393 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 393 N C 1.823 177.354 175.510 0.035 0.000 1.014 393 N CA 1.269 54.341 53.050 0.036 0.000 0.870 393 N CB -0.328 38.178 38.487 0.033 0.000 0.975 393 N HN 0.540 nan 8.380 nan 0.000 0.433 394 A N 0.683 123.518 122.820 0.026 0.000 1.930 394 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 394 A C 2.523 180.121 177.584 0.024 0.000 1.175 394 A CA 0.888 52.938 52.037 0.022 0.000 0.627 394 A CB -0.466 18.542 19.000 0.014 0.000 0.815 394 A HN 0.080 nan 8.150 nan 0.000 0.443 395 V N -0.289 119.641 119.914 0.027 0.000 2.283 395 V HA -0.167 3.953 4.120 -0.000 0.000 0.243 395 V C 2.375 178.491 176.094 0.036 0.000 1.039 395 V CA 1.544 63.862 62.300 0.031 0.000 1.016 395 V CB -0.692 31.151 31.823 0.033 0.000 0.650 395 V HN 0.464 nan 8.190 nan 0.000 0.449 396 L N 0.307 121.558 121.223 0.047 0.000 2.263 396 L HA -0.203 4.137 4.340 -0.000 0.000 0.216 396 L C 2.025 178.925 176.870 0.049 0.000 1.111 396 L CA 1.773 56.650 54.840 0.062 0.000 0.773 396 L CB -1.294 40.819 42.059 0.089 0.000 0.906 396 L HN 0.391 nan 8.230 nan 0.000 0.439 397 D N -0.782 119.640 120.400 0.037 0.000 2.183 397 D HA 0.029 4.669 4.640 -0.000 0.000 0.203 397 D C 1.747 178.053 176.300 0.010 0.000 0.969 397 D CA 1.303 55.317 54.000 0.023 0.000 0.842 397 D CB 0.243 41.056 40.800 0.021 0.000 0.957 397 D HN 0.408 nan 8.370 nan 0.000 0.484 398 G N -0.340 108.469 108.800 0.014 0.000 2.173 398 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.142 398 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.142 398 G C 0.360 175.266 174.900 0.011 0.000 1.019 398 G CA 0.058 45.165 45.100 0.011 0.000 0.699 398 G HN 0.517 nan 8.290 nan 0.000 0.495 399 A N 0.326 123.153 122.820 0.011 0.000 2.511 399 A HA 0.505 4.825 4.320 -0.000 0.000 0.242 399 A C 1.177 178.768 177.584 0.011 0.000 1.069 399 A CA 0.952 52.994 52.037 0.008 0.000 0.763 399 A CB 0.288 19.291 19.000 0.006 0.000 1.001 399 A HN 0.237 nan 8.150 nan 0.000 0.498 400 D N 0.409 120.815 120.400 0.010 0.000 2.183 400 D HA 0.025 4.664 4.640 -0.000 0.000 0.205 400 D C 0.147 176.456 176.300 0.014 0.000 0.962 400 D CA 1.261 55.267 54.000 0.009 0.000 0.849 400 D CB 0.162 40.968 40.800 0.010 0.000 0.978 400 D HN 0.585 nan 8.370 nan 0.000 0.488 401 C N 0.867 120.177 119.300 0.017 0.000 2.889 401 C HA 0.660 5.120 4.460 -0.000 0.000 0.307 401 C C 0.012 175.008 174.990 0.009 0.000 1.251 401 C CA -1.112 57.919 59.018 0.023 0.000 1.593 401 C CB 1.940 29.708 27.740 0.046 0.000 2.104 401 C HN 0.171 nan 8.230 nan 0.000 0.476 402 I N -0.316 120.263 120.570 0.015 0.000 2.846 402 I HA 0.784 4.954 4.170 -0.000 0.000 0.307 402 I C -0.850 175.273 176.117 0.010 0.000 1.053 402 I CA -0.834 60.470 61.300 0.006 0.000 1.050 402 I CB 1.766 39.775 38.000 0.016 0.000 1.239 402 I HN 0.674 nan 8.210 nan 0.000 0.439 403 M N 3.967 123.566 119.600 -0.002 0.000 2.716 403 M HA 0.681 5.161 4.480 -0.000 0.000 0.307 403 M C -1.793 174.520 176.300 0.023 0.000 1.223 403 M CA -0.792 54.512 55.300 0.007 0.000 0.871 403 M CB 2.741 35.320 32.600 -0.035 0.000 1.739 403 M HN 0.597 nan 8.290 nan 0.000 0.475 404 L N 0.617 121.864 121.223 0.040 0.000 2.431 404 L HA 0.538 4.878 4.340 -0.000 0.000 0.266 404 L C -0.556 176.350 176.870 0.060 0.000 0.978 404 L CA -0.264 54.605 54.840 0.048 0.000 0.822 404 L CB 2.400 44.493 42.059 0.056 0.000 1.310 404 L HN 0.768 nan 8.230 nan 0.000 0.409 405 S N 0.412 116.146 115.700 0.058 0.000 3.385 405 S HA 0.211 4.681 4.470 -0.000 0.000 0.176 405 S C 1.507 176.147 174.600 0.067 0.000 0.851 405 S CA 0.379 58.620 58.200 0.070 0.000 1.039 405 S CB -0.263 62.975 63.200 0.063 0.000 1.241 405 S HN 0.873 nan 8.310 nan 0.000 0.859 406 G N 1.701 110.537 108.800 0.059 0.000 2.556 406 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.220 406 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.220 406 G C 1.010 175.943 174.900 0.056 0.000 1.156 406 G CA 1.889 47.020 45.100 0.051 0.000 0.766 406 G HN 0.585 nan 8.290 nan 0.000 0.583 407 E N -0.195 120.042 120.200 0.062 0.000 2.187 407 E HA -0.114 4.236 4.350 -0.000 0.000 0.199 407 E C 2.610 179.254 176.600 0.073 0.000 1.004 407 E CA 1.887 58.331 56.400 0.074 0.000 0.813 407 E CB -0.287 29.456 29.700 0.073 0.000 0.736 407 E HN 0.666 nan 8.360 nan 0.000 0.468 408 T N -3.927 110.667 114.554 0.066 0.000 3.003 408 T HA 0.507 4.857 4.350 -0.000 0.000 0.261 408 T C 1.660 176.394 174.700 0.057 0.000 1.003 408 T CA 0.110 62.247 62.100 0.061 0.000 0.917 408 T CB 0.527 69.433 68.868 0.064 0.000 1.084 408 T HN 0.142 nan 8.240 nan 0.000 0.522 409 A N 2.411 125.267 122.820 0.060 0.000 1.903 409 A HA 0.297 4.616 4.320 -0.000 0.000 0.213 409 A C 2.173 179.778 177.584 0.035 0.000 1.185 409 A CA 0.759 52.832 52.037 0.061 0.000 0.628 409 A CB -0.072 18.973 19.000 0.075 0.000 0.830 409 A HN 0.469 nan 8.150 nan 0.000 0.446 410 K N -1.155 119.257 120.400 0.021 0.000 2.424 410 K HA 0.225 4.545 4.320 -0.000 0.000 0.198 410 K C 1.203 177.799 176.600 -0.007 0.000 1.190 410 K CA 0.330 56.617 56.287 -0.000 0.000 0.935 410 K CB 0.263 32.758 32.500 -0.008 0.000 1.087 410 K HN 0.342 nan 8.250 nan 0.000 0.524 411 G N 1.263 110.069 108.800 0.010 0.000 2.683 411 G HA2 -0.064 3.895 3.960 -0.000 0.000 0.260 411 G HA3 -0.064 3.895 3.960 -0.000 0.000 0.260 411 G C 0.216 175.071 174.900 -0.076 0.000 1.238 411 G CA -0.348 44.758 45.100 0.009 0.000 0.934 411 G HN 0.100 nan 8.290 nan 0.000 0.534 412 N N -0.978 117.621 118.700 -0.168 0.000 2.398 412 N HA 0.079 4.819 4.740 -0.000 0.000 0.188 412 N C -0.256 174.650 175.510 -1.006 0.000 1.122 412 N CA 0.387 53.099 53.050 -0.563 0.000 0.866 412 N CB 0.198 38.256 38.487 -0.715 0.000 0.970 412 N HN 0.392 nan 8.380 nan 0.000 0.462 413 F N -0.317 119.644 119.950 0.018 0.000 2.556 413 F HA 0.319 4.846 4.527 -0.000 0.000 0.384 413 F C -1.667 174.147 175.800 0.023 0.000 1.493 413 F CA -1.464 56.547 58.000 0.020 0.000 1.119 413 F CB 1.531 40.542 39.000 0.019 0.000 1.280 413 F HN -0.138 nan 8.300 nan 0.000 0.525 414 P HA -0.148 nan 4.420 nan 0.000 0.213 414 P C 1.869 179.221 177.300 0.087 0.000 1.170 414 P CA 1.368 64.515 63.100 0.079 0.000 0.893 414 P CB 0.329 32.053 31.700 0.039 0.000 0.784 415 V N 0.757 120.717 119.914 0.077 0.000 2.282 415 V HA -0.249 3.871 4.120 -0.000 0.000 0.249 415 V C 2.535 178.685 176.094 0.094 0.000 1.057 415 V CA 2.364 64.708 62.300 0.073 0.000 1.032 415 V CB -1.684 30.177 31.823 0.064 0.000 0.645 415 V HN 0.079 nan 8.190 nan 0.000 0.447 416 E N 0.340 120.623 120.200 0.139 0.000 2.153 416 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 416 E C 2.198 178.857 176.600 0.100 0.000 0.988 416 E CA 1.359 57.837 56.400 0.129 0.000 0.811 416 E CB -0.535 29.271 29.700 0.177 0.000 0.746 416 E HN 0.624 nan 8.360 nan 0.000 0.466 417 A N 0.265 123.154 122.820 0.114 0.000 1.897 417 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 417 A C 2.434 180.064 177.584 0.076 0.000 1.181 417 A CA 1.128 53.218 52.037 0.088 0.000 0.620 417 A CB -0.641 18.417 19.000 0.096 0.000 0.821 417 A HN 0.143 nan 8.150 nan 0.000 0.443 418 V N 0.774 120.732 119.914 0.074 0.000 2.255 418 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 418 V C 2.475 178.621 176.094 0.087 0.000 1.051 418 V CA 2.388 64.730 62.300 0.069 0.000 1.018 418 V CB -0.749 31.103 31.823 0.049 0.000 0.641 418 V HN 0.544 nan 8.190 nan 0.000 0.445 419 K N -0.687 119.760 120.400 0.079 0.000 2.089 419 K HA -0.306 4.014 4.320 -0.000 0.000 0.210 419 K C 2.140 178.818 176.600 0.131 0.000 1.048 419 K CA 2.204 58.550 56.287 0.099 0.000 0.926 419 K CB -0.417 32.127 32.500 0.073 0.000 0.714 419 K HN 0.356 nan 8.250 nan 0.000 0.448 420 M N 1.610 121.263 119.600 0.089 0.000 2.067 420 M HA -0.182 4.297 4.480 -0.000 0.000 0.260 420 M C 2.100 178.442 176.300 0.069 0.000 1.069 420 M CA 1.683 57.022 55.300 0.066 0.000 1.117 420 M CB -0.159 32.466 32.600 0.040 0.000 1.334 420 M HN 0.070 nan 8.290 nan 0.000 0.407 421 Q N -1.386 118.459 119.800 0.075 0.000 2.096 421 Q HA -0.283 4.056 4.340 -0.000 0.000 0.204 421 Q C 2.122 178.174 176.000 0.086 0.000 0.982 421 Q CA 2.137 57.980 55.803 0.068 0.000 0.850 421 Q CB -0.586 28.192 28.738 0.066 0.000 0.901 421 Q HN 0.755 nan 8.270 nan 0.000 0.422 422 H N 0.175 119.266 119.070 0.035 0.000 2.352 422 H HA -0.102 4.454 4.556 -0.000 0.000 0.299 422 H C 1.798 177.153 175.328 0.045 0.000 1.097 422 H CA 1.989 58.062 56.048 0.043 0.000 1.311 422 H CB -0.068 29.719 29.762 0.041 0.000 1.377 422 H HN 0.242 nan 8.280 nan 0.000 0.504 423 A N 0.425 123.240 122.820 -0.009 0.000 1.929 423 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 423 A C 2.518 180.056 177.584 -0.077 0.000 1.176 423 A CA 1.317 53.309 52.037 -0.076 0.000 0.628 423 A CB -0.624 18.397 19.000 0.035 0.000 0.816 423 A HN 0.509 nan 8.150 nan 0.000 0.444 424 I N -0.036 120.516 120.570 -0.031 0.000 2.142 424 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 424 I C 2.994 179.092 176.117 -0.032 0.000 1.078 424 I CA 1.053 62.341 61.300 -0.021 0.000 1.343 424 I CB -0.521 37.478 38.000 -0.001 0.000 1.046 424 I HN 0.320 nan 8.210 nan 0.000 0.405 425 A N 1.141 123.938 122.820 -0.038 0.000 1.884 425 A HA -0.269 4.050 4.320 -0.000 0.000 0.219 425 A C 2.440 180.003 177.584 -0.035 0.000 1.197 425 A CA 1.920 53.943 52.037 -0.024 0.000 0.637 425 A CB -0.769 18.225 19.000 -0.011 0.000 0.827 425 A HN 0.325 nan 8.150 nan 0.000 0.450 426 R N -0.601 119.832 120.500 -0.112 0.000 2.103 426 R HA -0.163 4.177 4.340 -0.000 0.000 0.242 426 R C 2.076 178.365 176.300 -0.017 0.000 1.142 426 R CA 1.587 57.640 56.100 -0.078 0.000 0.960 426 R CB -0.460 29.744 30.300 -0.160 0.000 0.858 426 R HN 0.643 nan 8.270 nan 0.000 0.439 427 E N 0.353 120.540 120.200 -0.022 0.000 2.072 427 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 427 E C 2.030 178.645 176.600 0.026 0.000 0.985 427 E CA 1.112 57.514 56.400 0.004 0.000 0.801 427 E CB -0.170 29.527 29.700 -0.004 0.000 0.750 427 E HN 0.321 nan 8.360 nan 0.000 0.452 428 A N 1.532 124.366 122.820 0.023 0.000 1.933 428 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 428 A C 2.003 179.626 177.584 0.065 0.000 1.175 428 A CA 1.513 53.575 52.037 0.041 0.000 0.628 428 A CB -0.426 18.595 19.000 0.034 0.000 0.814 428 A HN 0.184 nan 8.150 nan 0.000 0.444 429 E N -0.303 119.938 120.200 0.068 0.000 2.150 429 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 429 E C 2.033 178.727 176.600 0.157 0.000 0.985 429 E CA 0.796 57.260 56.400 0.107 0.000 0.814 429 E CB -0.237 29.530 29.700 0.111 0.000 0.752 429 E HN 0.608 nan 8.360 nan 0.000 0.466 430 A N 0.653 123.551 122.820 0.130 0.000 2.216 430 A HA 0.064 4.384 4.320 -0.000 0.000 0.214 430 A C 2.039 179.727 177.584 0.174 0.000 1.160 430 A CA 1.211 53.342 52.037 0.155 0.000 0.725 430 A CB -0.220 18.841 19.000 0.102 0.000 0.784 430 A HN 0.262 nan 8.150 nan 0.000 0.472 431 A N -0.896 122.016 122.820 0.153 0.000 2.197 431 A HA 0.444 4.764 4.320 -0.000 0.000 0.210 431 A C 0.844 178.616 177.584 0.314 0.000 1.180 431 A CA 0.029 52.183 52.037 0.194 0.000 0.846 431 A CB -0.161 18.904 19.000 0.110 0.000 0.884 431 A HN 0.207 nan 8.150 nan 0.000 0.487 432 V N 0.407 120.401 119.914 0.133 0.000 2.720 432 V HA -0.130 3.989 4.120 -0.000 0.000 0.307 432 V C 0.489 176.532 176.094 -0.085 0.000 1.071 432 V CA 0.588 62.858 62.300 -0.049 0.000 1.199 432 V CB -0.040 31.562 31.823 -0.368 0.000 0.900 432 V HN 0.488 nan 8.190 nan 0.000 0.494 433 Y N 5.485 125.605 120.300 -0.300 0.000 2.812 433 Y HA 0.278 4.827 4.550 -0.001 0.000 0.354 433 Y C 1.592 177.369 175.900 -0.206 0.000 1.276 433 Y CA -0.949 56.902 58.100 -0.415 0.000 1.639 433 Y CB -0.952 37.203 38.460 -0.509 0.000 1.741 433 Y HN 0.778 nan 8.280 nan 0.000 0.479 434 H N 0.997 120.072 119.070 0.009 0.000 2.297 434 H HA -0.326 4.229 4.556 -0.001 0.000 0.289 434 H C 2.268 177.454 175.328 -0.237 0.000 1.105 434 H CA 2.180 58.216 56.048 -0.020 0.000 1.219 434 H CB -0.010 29.836 29.762 0.139 0.000 1.351 434 H HN 0.502 nan 8.280 nan 0.000 0.481 435 R N 0.756 121.096 120.500 -0.267 0.000 2.317 435 R HA -0.325 4.015 4.340 -0.000 0.000 0.222 435 R C 2.445 178.447 176.300 -0.496 0.000 1.087 435 R CA 2.560 58.379 56.100 -0.469 0.000 0.840 435 R CB -0.562 29.363 30.300 -0.625 0.000 0.874 435 R HN 0.425 nan 8.270 nan 0.000 0.418 436 Q N -0.377 118.920 119.800 -0.839 0.000 2.156 436 Q HA -0.240 4.099 4.340 -0.000 0.000 0.211 436 Q C 2.209 178.061 176.000 -0.246 0.000 0.995 436 Q CA 2.156 57.662 55.803 -0.496 0.000 0.877 436 Q CB -0.175 28.312 28.738 -0.419 0.000 0.920 436 Q HN 0.408 nan 8.270 nan 0.000 0.416 437 L N -0.181 120.931 121.223 -0.186 0.000 1.976 437 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 437 L C 2.076 179.006 176.870 0.100 0.000 1.071 437 L CA 1.822 56.644 54.840 -0.030 0.000 0.746 437 L CB -1.110 40.948 42.059 -0.000 0.000 0.890 437 L HN 0.308 nan 8.230 nan 0.000 0.432 438 F N 0.865 120.783 119.950 -0.054 0.000 2.069 438 F HA -0.229 4.298 4.527 0.000 0.000 0.298 438 F C 2.462 178.231 175.800 -0.052 0.000 1.113 438 F CA 2.031 60.025 58.000 -0.009 0.000 1.214 438 F CB -0.713 38.228 39.000 -0.098 0.000 0.978 438 F HN 0.302 nan 8.300 nan 0.000 0.474 439 E N 0.035 120.082 120.200 -0.256 0.000 2.048 439 E HA -0.268 4.082 4.350 -0.000 0.000 0.202 439 E C 2.203 178.691 176.600 -0.187 0.000 1.021 439 E CA 1.867 58.074 56.400 -0.322 0.000 0.825 439 E CB -0.333 29.216 29.700 -0.252 0.000 0.756 439 E HN 0.535 nan 8.360 nan 0.000 0.454 440 E N 0.377 120.510 120.200 -0.110 0.000 2.070 440 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 440 E C 2.360 178.954 176.600 -0.010 0.000 1.004 440 E CA 1.049 57.412 56.400 -0.062 0.000 0.805 440 E CB -0.231 29.435 29.700 -0.057 0.000 0.744 440 E HN 0.243 nan 8.360 nan 0.000 0.451 441 L N 0.499 121.759 121.223 0.061 0.000 1.961 441 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 441 L C 2.710 179.678 176.870 0.164 0.000 1.072 441 L CA 1.290 56.217 54.840 0.146 0.000 0.749 441 L CB -0.559 41.662 42.059 0.270 0.000 0.889 441 L HN 0.052 nan 8.230 nan 0.000 0.432 442 R N -0.185 120.381 120.500 0.111 0.000 2.168 442 R HA -0.307 4.032 4.340 -0.000 0.000 0.242 442 R C 2.435 178.724 176.300 -0.019 0.000 1.123 442 R CA 2.363 58.445 56.100 -0.030 0.000 0.928 442 R CB -0.641 29.436 30.300 -0.372 0.000 0.873 442 R HN 0.273 nan 8.270 nan 0.000 0.434 443 R N -0.174 120.282 120.500 -0.073 0.000 2.112 443 R HA -0.212 4.127 4.340 -0.000 0.000 0.242 443 R C 2.295 178.586 176.300 -0.015 0.000 1.137 443 R CA 2.065 58.130 56.100 -0.057 0.000 0.944 443 R CB -0.379 29.879 30.300 -0.071 0.000 0.857 443 R HN 0.366 nan 8.270 nan 0.000 0.435 444 A N 0.622 123.444 122.820 0.003 0.000 1.898 444 A HA 0.126 4.446 4.320 -0.000 0.000 0.216 444 A C 1.111 178.716 177.584 0.035 0.000 1.181 444 A CA 0.960 53.006 52.037 0.014 0.000 0.620 444 A CB -0.642 18.365 19.000 0.013 0.000 0.819 444 A HN 0.501 nan 8.150 nan 0.000 0.442 445 A N 1.412 124.276 122.820 0.074 0.000 2.546 445 A HA 0.446 4.765 4.320 -0.000 0.000 0.243 445 A C -1.713 175.916 177.584 0.075 0.000 1.063 445 A CA -0.672 51.425 52.037 0.101 0.000 0.757 445 A CB -0.431 18.703 19.000 0.223 0.000 0.991 445 A HN 0.431 nan 8.150 nan 0.000 0.503 446 P HA 0.267 nan 4.420 nan 0.000 0.274 446 P C -0.094 177.237 177.300 0.052 0.000 1.246 446 P CA -0.438 62.688 63.100 0.043 0.000 0.795 446 P CB 0.465 32.186 31.700 0.035 0.000 1.006 447 L N 0.267 121.510 121.223 0.035 0.000 2.503 447 L HA 0.135 4.475 4.340 -0.000 0.000 0.287 447 L C 1.212 178.109 176.870 0.046 0.000 1.252 447 L CA 0.865 55.725 54.840 0.034 0.000 0.835 447 L CB -0.191 41.881 42.059 0.021 0.000 1.099 447 L HN 0.534 nan 8.230 nan 0.000 0.516 448 S N 0.311 116.041 115.700 0.050 0.000 2.651 448 S HA 0.580 5.050 4.470 -0.000 0.000 0.279 448 S C -0.114 174.515 174.600 0.048 0.000 1.148 448 S CA -0.756 57.478 58.200 0.056 0.000 0.837 448 S CB 2.086 65.333 63.200 0.079 0.000 1.138 448 S HN 0.640 nan 8.310 nan 0.000 0.478 449 R N 0.588 121.118 120.500 0.050 0.000 2.531 449 R HA 0.320 4.660 4.340 -0.000 0.000 0.316 449 R C -0.917 175.417 176.300 0.056 0.000 0.955 449 R CA -0.043 56.085 56.100 0.045 0.000 1.120 449 R CB 0.329 30.651 30.300 0.038 0.000 1.361 449 R HN 0.651 nan 8.270 nan 0.000 0.534 450 D N 0.185 120.625 120.400 0.066 0.000 2.316 450 D HA 0.133 4.773 4.640 -0.000 0.000 0.245 450 D C -1.689 174.662 176.300 0.085 0.000 1.171 450 D CA -2.340 51.706 54.000 0.077 0.000 0.856 450 D CB 1.678 42.529 40.800 0.085 0.000 1.090 450 D HN -0.117 nan 8.370 nan 0.000 0.476 451 P HA -0.197 nan 4.420 nan 0.000 0.218 451 P C 1.033 178.395 177.300 0.103 0.000 1.152 451 P CA 1.567 64.730 63.100 0.105 0.000 0.857 451 P CB 0.164 31.954 31.700 0.149 0.000 0.787 452 T N -0.962 113.654 114.554 0.104 0.000 2.737 452 T HA -0.141 4.208 4.350 -0.000 0.000 0.265 452 T C 1.631 176.373 174.700 0.071 0.000 1.038 452 T CA 1.117 63.269 62.100 0.086 0.000 1.144 452 T CB -0.656 68.259 68.868 0.079 0.000 0.866 452 T HN 0.287 nan 8.240 nan 0.000 0.434 453 E N 0.669 120.918 120.200 0.082 0.000 2.058 453 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 453 E C 2.489 179.148 176.600 0.098 0.000 0.997 453 E CA 1.119 57.591 56.400 0.119 0.000 0.801 453 E CB -0.381 29.404 29.700 0.140 0.000 0.746 453 E HN 0.298 nan 8.360 nan 0.000 0.450 454 V N 1.371 121.327 119.914 0.071 0.000 2.252 454 V HA -0.294 3.825 4.120 -0.000 0.000 0.249 454 V C 2.438 178.551 176.094 0.032 0.000 1.056 454 V CA 2.360 64.686 62.300 0.042 0.000 1.022 454 V CB -1.120 30.731 31.823 0.046 0.000 0.641 454 V HN 0.320 nan 8.190 nan 0.000 0.445 455 T N 0.428 115.012 114.554 0.049 0.000 2.746 455 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 455 T C 2.077 176.794 174.700 0.027 0.000 1.039 455 T CA 1.633 63.760 62.100 0.044 0.000 1.142 455 T CB -0.540 68.366 68.868 0.063 0.000 0.866 455 T HN 0.587 nan 8.240 nan 0.000 0.444 456 A N 1.504 124.348 122.820 0.041 0.000 1.841 456 A HA -0.066 4.253 4.320 -0.000 0.000 0.216 456 A C 2.334 179.918 177.584 -0.000 0.000 1.199 456 A CA 1.673 53.739 52.037 0.049 0.000 0.621 456 A CB -1.053 18.016 19.000 0.115 0.000 0.835 456 A HN 0.512 nan 8.150 nan 0.000 0.445 457 I N -0.454 120.065 120.570 -0.085 0.000 2.208 457 I HA -0.209 3.960 4.170 -0.000 0.000 0.245 457 I C 2.348 178.414 176.117 -0.085 0.000 1.097 457 I CA 1.794 62.918 61.300 -0.294 0.000 1.363 457 I CB -0.457 37.238 38.000 -0.510 0.000 1.051 457 I HN 0.338 nan 8.210 nan 0.000 0.413 458 G N 0.017 108.794 108.800 -0.039 0.000 2.440 458 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.218 458 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.218 458 G C 1.728 176.627 174.900 -0.002 0.000 1.154 458 G CA 0.769 45.868 45.100 -0.001 0.000 0.767 458 G HN 0.594 nan 8.290 nan 0.000 0.552 459 A N 0.011 122.820 122.820 -0.019 0.000 1.933 459 A HA 0.094 4.414 4.320 -0.000 0.000 0.218 459 A C 2.614 180.150 177.584 -0.079 0.000 1.175 459 A CA 1.816 53.830 52.037 -0.038 0.000 0.628 459 A CB -0.547 18.432 19.000 -0.035 0.000 0.814 459 A HN 0.261 nan 8.150 nan 0.000 0.444 460 V N 0.001 119.852 119.914 -0.105 0.000 2.270 460 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 460 V C 2.586 178.608 176.094 -0.120 0.000 1.043 460 V CA 2.408 64.573 62.300 -0.224 0.000 1.014 460 V CB -0.775 30.852 31.823 -0.326 0.000 0.645 460 V HN 0.737 nan 8.190 nan 0.000 0.447 461 E N 0.936 121.184 120.200 0.080 0.000 2.097 461 E HA -0.254 4.095 4.350 -0.000 0.000 0.196 461 E C 2.073 178.763 176.600 0.150 0.000 1.000 461 E CA 1.990 58.550 56.400 0.267 0.000 0.804 461 E CB -0.531 29.313 29.700 0.241 0.000 0.740 461 E HN 0.525 nan 8.360 nan 0.000 0.454 462 A N 0.789 123.639 122.820 0.049 0.000 1.902 462 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 462 A C 2.486 180.060 177.584 -0.018 0.000 1.181 462 A CA 2.201 54.250 52.037 0.019 0.000 0.623 462 A CB -1.195 17.802 19.000 -0.005 0.000 0.818 462 A HN 0.428 nan 8.150 nan 0.000 0.443 463 A N -0.715 122.045 122.820 -0.101 0.000 1.869 463 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 463 A C 2.028 179.480 177.584 -0.221 0.000 1.203 463 A CA 1.840 53.746 52.037 -0.220 0.000 0.638 463 A CB -1.031 17.739 19.000 -0.383 0.000 0.831 463 A HN 0.527 nan 8.150 nan 0.000 0.450 464 F N -0.220 119.688 119.950 -0.069 0.000 2.126 464 F HA -0.193 4.335 4.527 0.000 0.000 0.299 464 F C 2.354 178.150 175.800 -0.006 0.000 1.096 464 F CA 1.802 59.780 58.000 -0.037 0.000 1.255 464 F CB -0.114 38.893 39.000 0.010 0.000 0.997 464 F HN 0.149 nan 8.300 nan 0.000 0.479 465 K N 0.741 121.252 120.400 0.184 0.000 2.211 465 K HA -0.172 4.148 4.320 -0.000 0.000 0.204 465 K C 1.537 178.180 176.600 0.072 0.000 1.047 465 K CA 1.743 58.101 56.287 0.118 0.000 0.935 465 K CB -0.631 31.920 32.500 0.084 0.000 0.728 465 K HN 0.447 nan 8.250 nan 0.000 0.452 466 C N -3.583 115.740 119.300 0.039 0.000 3.385 466 C HA 0.461 4.921 4.460 -0.000 0.000 0.288 466 C C 0.549 175.540 174.990 0.001 0.000 1.429 466 C CA -0.675 58.353 59.018 0.016 0.000 1.778 466 C CB -1.631 26.109 27.740 0.000 0.000 2.503 466 C HN 0.405 nan 8.230 nan 0.000 0.646 467 C N 2.226 121.525 119.300 -0.002 0.000 4.454 467 C HA 0.045 4.504 4.460 -0.000 0.000 0.301 467 C C 1.359 176.309 174.990 -0.067 0.000 1.366 467 C CA 0.230 59.231 59.018 -0.028 0.000 2.016 467 C CB -3.067 24.676 27.740 0.004 0.000 1.253 467 C HN 1.219 nan 8.230 nan 0.000 0.770 468 A N 0.255 123.013 122.820 -0.102 0.000 2.603 468 A HA 0.385 4.705 4.320 -0.000 0.000 0.235 468 A C 1.407 178.923 177.584 -0.114 0.000 1.035 468 A CA 1.154 53.127 52.037 -0.107 0.000 0.755 468 A CB 0.249 19.166 19.000 -0.138 0.000 0.954 468 A HN 1.950 nan 8.150 nan 0.000 0.511 469 A N 2.188 124.959 122.820 -0.082 0.000 2.015 469 A HA 0.426 4.746 4.320 -0.000 0.000 0.219 469 A C 1.206 178.723 177.584 -0.112 0.000 1.163 469 A CA 1.987 53.978 52.037 -0.076 0.000 0.646 469 A CB -0.391 18.585 19.000 -0.039 0.000 0.806 469 A HN 2.530 nan 8.150 nan 0.000 0.448 470 A N -1.864 120.885 122.820 -0.119 0.000 2.566 470 A HA 0.627 4.947 4.320 -0.000 0.000 0.290 470 A C -1.403 176.108 177.584 -0.121 0.000 1.071 470 A CA -0.555 51.397 52.037 -0.142 0.000 0.658 470 A CB 0.324 19.240 19.000 -0.140 0.000 1.285 470 A HN 0.262 nan 8.150 nan 0.000 0.427 471 I N 0.881 121.381 120.570 -0.116 0.000 2.406 471 I HA 0.438 4.608 4.170 -0.000 0.000 0.290 471 I C -0.887 175.194 176.117 -0.059 0.000 0.999 471 I CA -0.308 60.939 61.300 -0.088 0.000 1.124 471 I CB 1.750 39.692 38.000 -0.096 0.000 1.289 471 I HN 0.466 nan 8.210 nan 0.000 0.441 472 I N 7.263 127.808 120.570 -0.042 0.000 2.330 472 I HA 0.282 4.452 4.170 -0.000 0.000 0.286 472 I C -0.319 175.789 176.117 -0.014 0.000 1.025 472 I CA -0.727 60.559 61.300 -0.023 0.000 1.197 472 I CB 1.067 39.054 38.000 -0.022 0.000 1.358 472 I HN 0.236 nan 8.210 nan 0.000 0.467 473 V N 5.560 125.472 119.914 -0.004 0.000 2.612 473 V HA 0.452 4.572 4.120 -0.000 0.000 0.301 473 V C -0.215 175.886 176.094 0.012 0.000 1.046 473 V CA -0.932 61.370 62.300 0.003 0.000 0.946 473 V CB 1.832 33.658 31.823 0.006 0.000 1.003 473 V HN 0.348 nan 8.190 nan 0.000 0.459 474 L N 3.245 124.475 121.223 0.012 0.000 2.265 474 L HA 0.666 5.006 4.340 -0.000 0.000 0.289 474 L C 0.277 177.169 176.870 0.038 0.000 1.033 474 L CA 0.658 55.506 54.840 0.014 0.000 0.814 474 L CB 1.294 43.348 42.059 -0.009 0.000 1.203 474 L HN 0.993 nan 8.230 nan 0.000 0.423 475 T N 0.846 115.426 114.554 0.044 0.000 2.886 475 T HA 0.384 4.734 4.350 -0.000 0.000 0.292 475 T C 0.833 175.568 174.700 0.057 0.000 1.012 475 T CA -0.304 61.828 62.100 0.052 0.000 0.982 475 T CB 1.215 70.109 68.868 0.043 0.000 1.018 475 T HN 0.624 nan 8.240 nan 0.000 0.451 476 T N 2.203 116.792 114.554 0.058 0.000 2.976 476 T HA 0.053 4.403 4.350 -0.000 0.000 0.257 476 T C 1.724 176.449 174.700 0.041 0.000 1.051 476 T CA 1.457 63.587 62.100 0.051 0.000 1.141 476 T CB -0.062 68.832 68.868 0.043 0.000 0.881 476 T HN 0.835 nan 8.240 nan 0.000 0.461 477 T N -2.102 112.478 114.554 0.043 0.000 3.091 477 T HA 0.525 4.874 4.350 -0.000 0.000 0.277 477 T C 1.632 176.365 174.700 0.054 0.000 0.996 477 T CA 0.685 62.807 62.100 0.036 0.000 0.897 477 T CB 0.499 69.377 68.868 0.016 0.000 1.109 477 T HN 0.429 nan 8.240 nan 0.000 0.534 478 G N 1.491 110.328 108.800 0.060 0.000 2.268 478 G HA2 -0.400 3.559 3.960 -0.000 0.000 0.240 478 G HA3 -0.400 3.559 3.960 -0.000 0.000 0.240 478 G C 0.675 175.618 174.900 0.071 0.000 1.010 478 G CA 0.819 45.948 45.100 0.048 0.000 0.618 478 G HN 0.630 nan 8.290 nan 0.000 0.516 479 H N 1.506 120.570 119.070 -0.010 0.000 2.362 479 H HA -0.084 4.472 4.556 -0.000 0.000 0.294 479 H C 2.732 178.059 175.328 -0.002 0.000 1.113 479 H CA 2.795 58.836 56.048 -0.011 0.000 1.253 479 H CB -0.226 29.525 29.762 -0.018 0.000 1.363 479 H HN 0.445 nan 8.280 nan 0.000 0.494 480 S N -0.756 114.929 115.700 -0.025 0.000 2.406 480 S HA -0.014 4.456 4.470 -0.000 0.000 0.228 480 S C 2.350 176.909 174.600 -0.068 0.000 1.020 480 S CA 0.641 58.800 58.200 -0.069 0.000 0.965 480 S CB -0.273 62.931 63.200 0.006 0.000 0.798 480 S HN 0.658 nan 8.310 nan 0.000 0.488 481 A N 1.209 124.004 122.820 -0.043 0.000 1.968 481 A HA -0.113 4.206 4.320 -0.000 0.000 0.217 481 A C 2.053 179.597 177.584 -0.067 0.000 1.169 481 A CA 1.432 53.443 52.037 -0.043 0.000 0.638 481 A CB -0.568 18.412 19.000 -0.034 0.000 0.812 481 A HN 0.545 nan 8.150 nan 0.000 0.446 482 Q N -0.215 119.535 119.800 -0.084 0.000 2.079 482 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 482 Q C 1.925 177.850 176.000 -0.124 0.000 0.974 482 Q CA 1.381 57.128 55.803 -0.093 0.000 0.840 482 Q CB -0.256 28.438 28.738 -0.072 0.000 0.898 482 Q HN 0.654 nan 8.270 nan 0.000 0.430 483 L N 0.328 121.445 121.223 -0.177 0.000 2.042 483 L HA -0.234 4.105 4.340 -0.000 0.000 0.210 483 L C 2.457 179.318 176.870 -0.015 0.000 1.076 483 L CA 1.011 55.772 54.840 -0.132 0.000 0.749 483 L CB -0.464 41.503 42.059 -0.153 0.000 0.893 483 L HN 0.353 nan 8.230 nan 0.000 0.432 484 L N -0.454 120.766 121.223 -0.006 0.000 2.017 484 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 484 L C 2.934 179.812 176.870 0.015 0.000 1.073 484 L CA 1.746 56.607 54.840 0.036 0.000 0.745 484 L CB -0.610 41.443 42.059 -0.011 0.000 0.894 484 L HN 0.397 nan 8.230 nan 0.000 0.432 485 S N -0.475 115.202 115.700 -0.039 0.000 2.356 485 S HA -0.257 4.213 4.470 -0.000 0.000 0.223 485 S C 2.092 176.654 174.600 -0.064 0.000 1.032 485 S CA 0.806 58.977 58.200 -0.047 0.000 1.005 485 S CB -0.550 62.612 63.200 -0.063 0.000 0.867 485 S HN 0.272 nan 8.310 nan 0.000 0.449 486 R N 0.346 120.767 120.500 -0.131 0.000 2.270 486 R HA -0.241 4.099 4.340 -0.000 0.000 0.260 486 R C 1.549 177.662 176.300 -0.311 0.000 1.127 486 R CA 2.469 58.407 56.100 -0.270 0.000 0.969 486 R CB -0.682 29.338 30.300 -0.468 0.000 0.918 486 R HN 0.699 nan 8.270 nan 0.000 0.455 487 Y N -0.290 120.025 120.300 0.027 0.000 2.466 487 Y HA 0.176 4.727 4.550 0.001 0.000 0.272 487 Y C 0.366 176.274 175.900 0.014 0.000 1.169 487 Y CA -0.338 57.801 58.100 0.064 0.000 1.285 487 Y CB 0.489 38.985 38.460 0.060 0.000 1.078 487 Y HN -0.040 nan 8.280 nan 0.000 0.523 488 R N -1.050 119.505 120.500 0.092 0.000 3.201 488 R HA -0.133 4.207 4.340 -0.000 0.000 0.254 488 R C -3.022 173.333 176.300 0.091 0.000 0.978 488 R CA 0.010 56.179 56.100 0.115 0.000 0.661 488 R CB -2.337 28.079 30.300 0.194 0.000 1.170 488 R HN 0.281 nan 8.270 nan 0.000 0.430 489 P HA 0.058 nan 4.420 nan 0.000 0.271 489 P C 0.783 177.899 177.300 -0.307 0.000 1.233 489 P CA -0.210 62.684 63.100 -0.343 0.000 0.789 489 P CB 0.548 32.040 31.700 -0.346 0.000 0.951 490 R N 1.221 121.354 120.500 -0.612 0.000 2.173 490 R HA 0.196 4.536 4.340 -0.000 0.000 0.208 490 R C 0.642 176.755 176.300 -0.312 0.000 1.035 490 R CA 0.371 56.175 56.100 -0.492 0.000 1.004 490 R CB -0.318 29.622 30.300 -0.600 0.000 0.917 490 R HN 0.530 nan 8.270 nan 0.000 0.462 491 A N 1.116 123.709 122.820 -0.379 0.000 2.351 491 A HA 0.565 4.884 4.320 -0.000 0.000 0.257 491 A C -0.081 177.392 177.584 -0.184 0.000 1.087 491 A CA -0.052 51.829 52.037 -0.259 0.000 0.798 491 A CB 0.401 19.237 19.000 -0.273 0.000 1.033 491 A HN 0.508 nan 8.150 nan 0.000 0.488 492 A N 1.062 123.774 122.820 -0.180 0.000 2.498 492 A HA 0.461 4.781 4.320 -0.000 0.000 0.239 492 A C -0.001 177.533 177.584 -0.082 0.000 1.068 492 A CA -0.098 51.856 52.037 -0.139 0.000 0.766 492 A CB -0.049 18.609 19.000 -0.570 0.000 1.003 492 A HN 1.109 nan 8.150 nan 0.000 0.497 493 V N 4.891 124.841 119.914 0.061 0.000 2.288 493 V HA 0.169 4.289 4.120 -0.000 0.000 0.266 493 V C 0.018 176.156 176.094 0.073 0.000 1.048 493 V CA 0.029 62.336 62.300 0.012 0.000 0.842 493 V CB 0.241 32.052 31.823 -0.020 0.000 1.064 493 V HN 0.669 nan 8.190 nan 0.000 0.472 494 I N 4.749 125.325 120.570 0.009 0.000 2.363 494 I HA 0.413 4.583 4.170 -0.000 0.000 0.292 494 I C 0.769 176.916 176.117 0.050 0.000 1.075 494 I CA 0.234 61.560 61.300 0.043 0.000 1.333 494 I CB 0.958 38.958 38.000 0.000 0.000 1.415 494 I HN 0.608 nan 8.210 nan 0.000 0.502 495 A N 7.272 130.134 122.820 0.070 0.000 2.260 495 A HA 0.666 4.986 4.320 -0.000 0.000 0.314 495 A C -0.403 177.238 177.584 0.094 0.000 1.257 495 A CA -0.463 51.607 52.037 0.055 0.000 0.871 495 A CB 0.729 19.744 19.000 0.026 0.000 1.166 495 A HN 0.460 nan 8.150 nan 0.000 0.522 496 V N 2.149 122.118 119.914 0.091 0.000 2.472 496 V HA 0.790 4.909 4.120 -0.000 0.000 0.290 496 V C 0.427 176.584 176.094 0.105 0.000 1.037 496 V CA -0.155 62.228 62.300 0.139 0.000 0.908 496 V CB 1.459 33.355 31.823 0.122 0.000 0.985 496 V HN 0.989 nan 8.190 nan 0.000 0.454 497 T N 3.717 118.359 114.554 0.147 0.000 2.942 497 T HA 0.378 4.728 4.350 -0.000 0.000 0.327 497 T C 0.336 175.123 174.700 0.146 0.000 1.360 497 T CA -0.584 61.587 62.100 0.118 0.000 1.055 497 T CB 1.696 70.618 68.868 0.091 0.000 1.261 497 T HN 0.657 nan 8.240 nan 0.000 0.485 498 R N 1.209 121.782 120.500 0.121 0.000 2.290 498 R HA 0.196 4.536 4.340 -0.000 0.000 0.197 498 R C 0.716 177.055 176.300 0.064 0.000 0.913 498 R CA -0.027 56.134 56.100 0.102 0.000 1.040 498 R CB 0.319 30.679 30.300 0.099 0.000 0.992 498 R HN 0.448 nan 8.270 nan 0.000 0.500 499 S N 0.918 116.656 115.700 0.065 0.000 2.498 499 S HA 0.218 4.688 4.470 -0.000 0.000 0.314 499 S C 1.292 175.930 174.600 0.064 0.000 1.141 499 S CA -0.301 57.930 58.200 0.051 0.000 1.087 499 S CB 0.865 64.091 63.200 0.042 0.000 1.178 499 S HN 0.362 nan 8.310 nan 0.000 0.533 500 A N 4.604 127.461 122.820 0.061 0.000 1.915 500 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 500 A C 2.077 179.714 177.584 0.088 0.000 1.198 500 A CA 2.315 54.405 52.037 0.089 0.000 0.647 500 A CB -1.047 17.999 19.000 0.076 0.000 0.825 500 A HN 0.862 nan 8.150 nan 0.000 0.456 501 Q N -0.755 119.081 119.800 0.059 0.000 2.061 501 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 501 Q C 2.178 178.204 176.000 0.044 0.000 0.984 501 Q CA 2.149 57.981 55.803 0.048 0.000 0.846 501 Q CB -0.442 28.314 28.738 0.029 0.000 0.902 501 Q HN 0.620 nan 8.270 nan 0.000 0.421 502 A N 0.745 123.589 122.820 0.040 0.000 1.883 502 A HA -0.169 4.150 4.320 -0.000 0.000 0.217 502 A C 2.363 179.961 177.584 0.023 0.000 1.186 502 A CA 1.917 53.973 52.037 0.031 0.000 0.624 502 A CB -1.374 17.647 19.000 0.035 0.000 0.822 502 A HN 0.603 nan 8.150 nan 0.000 0.444 503 A N -0.511 122.337 122.820 0.047 0.000 2.032 503 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 503 A C 2.257 179.837 177.584 -0.007 0.000 1.165 503 A CA 1.804 53.863 52.037 0.037 0.000 0.645 503 A CB -0.443 18.632 19.000 0.124 0.000 0.807 503 A HN 0.613 nan 8.150 nan 0.000 0.453 504 R N -1.210 119.323 120.500 0.054 0.000 2.057 504 R HA -0.034 4.306 4.340 -0.000 0.000 0.224 504 R C 2.382 178.730 176.300 0.080 0.000 1.136 504 R CA 1.281 57.446 56.100 0.109 0.000 0.968 504 R CB -0.388 29.980 30.300 0.114 0.000 0.863 504 R HN 0.635 nan 8.270 nan 0.000 0.433 505 Q N 0.444 120.266 119.800 0.037 0.000 2.297 505 Q HA -0.105 4.235 4.340 -0.000 0.000 0.208 505 Q C 1.941 177.946 176.000 0.007 0.000 0.981 505 Q CA 0.929 56.749 55.803 0.028 0.000 0.876 505 Q CB 0.035 28.783 28.738 0.017 0.000 0.921 505 Q HN 0.122 nan 8.270 nan 0.000 0.446 506 V N 0.470 120.348 119.914 -0.059 0.000 2.913 506 V HA -0.207 3.913 4.120 -0.000 0.000 0.260 506 V C 1.705 177.720 176.094 -0.131 0.000 1.098 506 V CA 1.265 63.503 62.300 -0.103 0.000 1.121 506 V CB -0.540 31.203 31.823 -0.134 0.000 0.714 506 V HN 0.466 nan 8.190 nan 0.000 0.487 507 H N -0.917 118.135 119.070 -0.030 0.000 2.489 507 H HA -0.106 4.449 4.556 -0.000 0.000 0.295 507 H C 1.977 177.284 175.328 -0.035 0.000 1.082 507 H CA 1.039 57.057 56.048 -0.050 0.000 1.295 507 H CB -0.004 29.743 29.762 -0.024 0.000 1.380 507 H HN 0.267 nan 8.280 nan 0.000 0.548 508 L N -0.089 121.194 121.223 0.101 0.000 2.549 508 L HA -0.081 4.259 4.340 -0.000 0.000 0.230 508 L C 0.504 177.391 176.870 0.029 0.000 1.162 508 L CA 0.556 55.441 54.840 0.075 0.000 0.834 508 L CB -0.396 41.705 42.059 0.070 0.000 0.947 508 L HN 0.166 nan 8.230 nan 0.000 0.452 509 C N 0.153 119.446 119.300 -0.013 0.000 2.293 509 C HA 0.369 4.829 4.460 -0.000 0.000 0.323 509 C C 0.924 175.865 174.990 -0.081 0.000 1.240 509 C CA -1.499 57.493 59.018 -0.044 0.000 1.497 509 C CB 0.822 28.527 27.740 -0.058 0.000 2.171 509 C HN 0.307 nan 8.230 nan 0.000 0.465 510 R N 1.876 122.341 120.500 -0.057 0.000 2.587 510 R HA 0.237 4.577 4.340 -0.000 0.000 0.268 510 R C 1.421 177.648 176.300 -0.122 0.000 0.978 510 R CA 1.960 58.018 56.100 -0.069 0.000 1.097 510 R CB 0.066 30.353 30.300 -0.021 0.000 0.917 510 R HN 1.256 nan 8.270 nan 0.000 0.414 511 G N 2.060 110.748 108.800 -0.187 0.000 2.196 511 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.268 511 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.268 511 G C -0.023 174.647 174.900 -0.384 0.000 0.975 511 G CA 0.385 45.358 45.100 -0.212 0.000 0.648 511 G HN 0.508 nan 8.290 nan 0.000 0.538 512 V N 0.383 120.014 119.914 -0.472 0.000 2.509 512 V HA 0.704 4.824 4.120 -0.000 0.000 0.284 512 V C -0.110 175.573 176.094 -0.685 0.000 1.047 512 V CA -0.333 61.736 62.300 -0.385 0.000 0.952 512 V CB 1.254 32.947 31.823 -0.217 0.000 0.988 512 V HN 0.206 nan 8.190 nan 0.000 0.469 513 F N 5.379 125.273 119.950 -0.094 0.000 2.500 513 F HA 0.506 5.032 4.527 -0.001 0.000 0.349 513 F C -2.405 173.383 175.800 -0.021 0.000 1.127 513 F CA -2.412 55.565 58.000 -0.039 0.000 0.998 513 F CB 1.714 40.675 39.000 -0.067 0.000 1.237 513 F HN 0.322 nan 8.300 nan 0.000 0.439 514 P HA 0.404 nan 4.420 nan 0.000 0.282 514 P C -0.941 176.467 177.300 0.180 0.000 1.249 514 P CA -0.396 62.737 63.100 0.055 0.000 0.806 514 P CB 1.503 33.150 31.700 -0.087 0.000 0.984 515 L N 2.633 123.990 121.223 0.225 0.000 2.376 515 L HA 0.410 4.749 4.340 -0.000 0.000 0.275 515 L C -0.484 176.619 176.870 0.387 0.000 0.987 515 L CA -1.122 53.919 54.840 0.336 0.000 0.828 515 L CB 1.984 44.236 42.059 0.322 0.000 1.249 515 L HN 0.240 nan 8.230 nan 0.000 0.409 516 L N 3.892 125.361 121.223 0.409 0.000 2.276 516 L HA 0.381 4.720 4.340 -0.000 0.000 0.286 516 L C -0.944 176.060 176.870 0.223 0.000 1.061 516 L CA -0.002 55.003 54.840 0.275 0.000 0.807 516 L CB 0.825 43.004 42.059 0.200 0.000 1.177 516 L HN 0.369 nan 8.230 nan 0.000 0.429 517 Y N 5.055 125.334 120.300 -0.036 0.000 2.328 517 Y HA 0.445 4.995 4.550 0.000 0.000 0.337 517 Y C 0.915 176.664 175.900 -0.252 0.000 1.008 517 Y CA -0.254 57.655 58.100 -0.318 0.000 1.129 517 Y CB 1.093 39.384 38.460 -0.281 0.000 1.185 517 Y HN 0.764 nan 8.280 nan 0.000 0.476 518 R N 1.772 121.755 120.500 -0.862 0.000 2.195 518 R HA 0.092 4.432 4.340 -0.000 0.000 0.197 518 R C -0.104 175.839 176.300 -0.595 0.000 0.990 518 R CA -0.092 55.670 56.100 -0.563 0.000 1.048 518 R CB 0.191 30.251 30.300 -0.401 0.000 0.997 518 R HN 0.579 nan 8.270 nan 0.000 0.502 519 E N 2.820 122.453 120.200 -0.945 0.000 2.459 519 E HA 0.028 4.378 4.350 -0.000 0.000 0.264 519 E C -2.181 174.257 176.600 -0.270 0.000 1.055 519 E CA -1.329 54.751 56.400 -0.533 0.000 0.957 519 E CB -0.141 29.281 29.700 -0.464 0.000 0.952 519 E HN 0.038 nan 8.360 nan 0.000 0.448 520 P HA 0.241 nan 4.420 nan 0.000 0.277 520 P C -2.435 174.877 177.300 0.020 0.000 1.240 520 P CA -1.420 61.654 63.100 -0.044 0.000 0.798 520 P CB -0.383 31.294 31.700 -0.038 0.000 0.979 521 P HA 0.079 nan 4.420 nan 0.000 0.269 521 P C -0.062 177.282 177.300 0.075 0.000 1.209 521 P CA 0.183 63.338 63.100 0.092 0.000 0.776 521 P CB 0.327 32.084 31.700 0.095 0.000 0.876 522 E N 0.880 121.131 120.200 0.085 0.000 2.374 522 E HA 0.152 4.502 4.350 -0.000 0.000 0.260 522 E C 1.204 177.851 176.600 0.079 0.000 1.101 522 E CA -0.230 56.210 56.400 0.066 0.000 0.907 522 E CB 0.575 30.307 29.700 0.053 0.000 1.014 522 E HN 0.409 nan 8.360 nan 0.000 0.427 523 A N 2.796 125.652 122.820 0.061 0.000 1.845 523 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 523 A C 1.235 178.873 177.584 0.090 0.000 1.195 523 A CA 0.917 52.991 52.037 0.062 0.000 0.616 523 A CB -0.513 18.513 19.000 0.043 0.000 0.832 523 A HN 0.600 nan 8.150 nan 0.000 0.443 524 I N -0.753 119.868 120.570 0.085 0.000 2.517 524 I HA -0.019 4.151 4.170 -0.000 0.000 0.285 524 I C 1.094 177.311 176.117 0.167 0.000 1.106 524 I CA -0.527 60.840 61.300 0.111 0.000 1.402 524 I CB 0.697 38.740 38.000 0.071 0.000 1.399 524 I HN 0.651 nan 8.210 nan 0.000 0.535 525 W N 6.275 127.575 121.300 -0.000 0.000 1.601 525 W HA -0.290 4.369 4.660 -0.001 0.000 0.279 525 W C 2.277 178.796 176.519 -0.001 0.000 0.890 525 W CA 2.183 59.525 57.345 -0.005 0.000 0.945 525 W CB -0.795 28.658 29.460 -0.012 0.000 1.061 525 W HN 0.664 nan 8.180 nan 0.000 0.521 526 A N 0.589 123.284 122.820 -0.209 0.000 1.670 526 A HA -0.490 3.830 4.320 -0.000 0.000 0.312 526 A C 1.720 179.145 177.584 -0.265 0.000 3.495 526 A CA 3.547 55.394 52.037 -0.318 0.000 0.917 526 A CB -1.852 17.100 19.000 -0.081 0.000 0.783 526 A HN 0.588 nan 8.150 nan 0.000 0.530 527 D N -0.883 119.446 120.400 -0.118 0.000 2.149 527 D HA -0.152 4.487 4.640 -0.000 0.000 0.194 527 D C 1.555 177.786 176.300 -0.114 0.000 1.001 527 D CA 1.736 55.686 54.000 -0.084 0.000 0.849 527 D CB -0.644 40.143 40.800 -0.022 0.000 0.939 527 D HN 0.761 nan 8.370 nan 0.000 0.449 528 D N -0.241 120.078 120.400 -0.136 0.000 2.117 528 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 528 D C 2.052 178.200 176.300 -0.253 0.000 0.987 528 D CA 0.811 54.734 54.000 -0.129 0.000 0.829 528 D CB 0.095 40.871 40.800 -0.040 0.000 0.961 528 D HN -0.050 nan 8.370 nan 0.000 0.460 529 V N 0.791 120.438 119.914 -0.445 0.000 2.220 529 V HA -0.274 3.845 4.120 -0.000 0.000 0.246 529 V C 1.950 177.881 176.094 -0.272 0.000 1.049 529 V CA 2.237 64.271 62.300 -0.443 0.000 1.003 529 V CB -0.646 30.787 31.823 -0.649 0.000 0.634 529 V HN 0.264 nan 8.190 nan 0.000 0.444 530 D N -0.320 119.948 120.400 -0.220 0.000 2.149 530 D HA -0.185 4.454 4.640 -0.000 0.000 0.194 530 D C 2.349 178.592 176.300 -0.096 0.000 1.001 530 D CA 1.239 55.160 54.000 -0.131 0.000 0.849 530 D CB -0.358 40.385 40.800 -0.096 0.000 0.939 530 D HN 0.360 nan 8.370 nan 0.000 0.449 531 R N 0.464 120.906 120.500 -0.097 0.000 2.081 531 R HA -0.028 4.312 4.340 -0.000 0.000 0.235 531 R C 2.374 178.608 176.300 -0.110 0.000 1.131 531 R CA 0.733 56.807 56.100 -0.043 0.000 0.960 531 R CB -0.308 30.002 30.300 0.015 0.000 0.856 531 R HN 0.313 nan 8.270 nan 0.000 0.436 532 R N 0.245 120.566 120.500 -0.300 0.000 2.066 532 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 532 R C 2.463 178.696 176.300 -0.111 0.000 1.131 532 R CA 1.222 57.068 56.100 -0.423 0.000 0.955 532 R CB -0.596 29.416 30.300 -0.480 0.000 0.851 532 R HN -0.002 nan 8.270 nan 0.000 0.432 533 V N 1.346 121.200 119.914 -0.100 0.000 2.219 533 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 533 V C 2.292 178.384 176.094 -0.004 0.000 1.053 533 V CA 1.962 64.234 62.300 -0.047 0.000 1.009 533 V CB -0.529 31.256 31.823 -0.064 0.000 0.636 533 V HN 0.263 nan 8.190 nan 0.000 0.445 534 Q N -1.043 118.759 119.800 0.004 0.000 2.197 534 Q HA -0.230 4.110 4.340 -0.000 0.000 0.207 534 Q C 1.856 177.909 176.000 0.089 0.000 0.984 534 Q CA 2.006 57.829 55.803 0.034 0.000 0.869 534 Q CB -0.663 28.098 28.738 0.038 0.000 0.906 534 Q HN 0.690 nan 8.270 nan 0.000 0.426 535 F N -0.260 119.676 119.950 -0.024 0.000 2.102 535 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 535 F C 1.947 177.771 175.800 0.041 0.000 1.105 535 F CA 1.839 59.863 58.000 0.040 0.000 1.239 535 F CB -0.776 38.266 39.000 0.071 0.000 0.991 535 F HN 0.110 nan 8.300 nan 0.000 0.474 536 G N 0.980 109.767 108.800 -0.022 0.000 2.459 536 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.217 536 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.217 536 G C 1.894 176.731 174.900 -0.106 0.000 1.183 536 G CA 1.243 46.287 45.100 -0.093 0.000 0.776 536 G HN 0.466 nan 8.290 nan 0.000 0.552 537 I N 0.403 120.939 120.570 -0.057 0.000 2.113 537 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 537 I C 2.741 178.816 176.117 -0.070 0.000 1.064 537 I CA 1.850 63.124 61.300 -0.044 0.000 1.320 537 I CB -0.289 37.695 38.000 -0.026 0.000 1.028 537 I HN 0.318 nan 8.210 nan 0.000 0.406 538 E N 0.598 120.740 120.200 -0.097 0.000 2.047 538 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 538 E C 2.223 178.726 176.600 -0.161 0.000 0.987 538 E CA 1.695 58.035 56.400 -0.100 0.000 0.799 538 E CB 0.117 29.780 29.700 -0.062 0.000 0.752 538 E HN 0.446 nan 8.360 nan 0.000 0.449 539 S N 0.024 115.553 115.700 -0.285 0.000 2.399 539 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 539 S C 1.962 176.450 174.600 -0.187 0.000 1.022 539 S CA 0.818 58.849 58.200 -0.282 0.000 0.983 539 S CB -0.448 62.498 63.200 -0.425 0.000 0.803 539 S HN 0.448 nan 8.310 nan 0.000 0.480 540 G N 2.293 111.030 108.800 -0.106 0.000 2.433 540 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 540 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 540 G C 1.432 176.264 174.900 -0.112 0.000 1.186 540 G CA 0.783 45.879 45.100 -0.007 0.000 0.779 540 G HN 0.482 nan 8.290 nan 0.000 0.543 541 K N -0.013 120.331 120.400 -0.094 0.000 2.002 541 K HA 0.116 4.436 4.320 -0.000 0.000 0.209 541 K C 2.401 178.917 176.600 -0.139 0.000 1.048 541 K CA 0.743 56.974 56.287 -0.094 0.000 0.930 541 K CB -0.479 31.984 32.500 -0.062 0.000 0.714 541 K HN 0.177 nan 8.250 nan 0.000 0.438 542 L N 1.358 122.495 121.223 -0.144 0.000 2.043 542 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 542 L C 1.758 178.498 176.870 -0.218 0.000 1.075 542 L CA 1.769 56.521 54.840 -0.147 0.000 0.752 542 L CB -0.118 41.867 42.059 -0.123 0.000 0.891 542 L HN 0.252 nan 8.230 nan 0.000 0.432 543 R N -0.763 119.521 120.500 -0.361 0.000 2.317 543 R HA 0.146 4.486 4.340 -0.000 0.000 0.208 543 R C 1.036 176.972 176.300 -0.607 0.000 0.914 543 R CA 0.575 56.349 56.100 -0.543 0.000 1.060 543 R CB 0.117 29.907 30.300 -0.851 0.000 1.015 543 R HN 0.510 nan 8.270 nan 0.000 0.498 544 G N 0.951 109.513 108.800 -0.398 0.000 2.182 544 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.248 544 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.248 544 G C 0.387 175.196 174.900 -0.152 0.000 1.042 544 G CA -0.065 44.896 45.100 -0.231 0.000 0.775 544 G HN 0.425 nan 8.290 nan 0.000 0.501 545 F N -0.433 119.442 119.950 -0.126 0.000 2.317 545 F HA 0.336 4.863 4.527 -0.000 0.000 0.293 545 F C 1.506 177.237 175.800 -0.114 0.000 1.085 545 F CA 0.486 58.393 58.000 -0.155 0.000 1.390 545 F CB 0.134 39.008 39.000 -0.209 0.000 1.077 545 F HN 0.205 nan 8.300 nan 0.000 0.517 546 L N -0.730 120.543 121.223 0.084 0.000 2.422 546 L HA 0.690 5.030 4.340 -0.000 0.000 0.264 546 L C -0.730 176.137 176.870 -0.004 0.000 0.984 546 L CA -1.144 53.713 54.840 0.028 0.000 0.819 546 L CB 1.796 43.868 42.059 0.022 0.000 1.330 546 L HN -0.259 nan 8.230 nan 0.000 0.410 547 R N 0.732 121.228 120.500 -0.008 0.000 2.854 547 R HA 0.633 4.973 4.340 -0.000 0.000 0.271 547 R C -0.828 175.464 176.300 -0.012 0.000 0.994 547 R CA -1.082 55.009 56.100 -0.014 0.000 0.945 547 R CB 2.546 32.838 30.300 -0.012 0.000 1.194 547 R HN 0.521 nan 8.270 nan 0.000 0.476 548 V N 0.877 120.783 119.914 -0.013 0.000 2.872 548 V HA 0.072 4.192 4.120 -0.000 0.000 0.302 548 V C 1.656 177.745 176.094 -0.008 0.000 1.166 548 V CA 1.399 63.693 62.300 -0.010 0.000 1.298 548 V CB -0.020 31.798 31.823 -0.009 0.000 0.894 548 V HN 1.100 nan 8.190 nan 0.000 0.509 549 G N 2.355 111.151 108.800 -0.008 0.000 2.268 549 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.240 549 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.240 549 G C -0.028 174.868 174.900 -0.008 0.000 1.010 549 G CA 0.207 45.303 45.100 -0.007 0.000 0.618 549 G HN 0.769 nan 8.290 nan 0.000 0.516 550 D N 0.626 121.020 120.400 -0.010 0.000 2.368 550 D HA 0.513 5.153 4.640 -0.000 0.000 0.240 550 D C 1.056 177.346 176.300 -0.017 0.000 1.169 550 D CA 0.116 54.108 54.000 -0.014 0.000 0.906 550 D CB 0.701 41.491 40.800 -0.016 0.000 1.187 550 D HN 0.365 nan 8.370 nan 0.000 0.435 551 L N 0.733 121.943 121.223 -0.022 0.000 2.344 551 L HA 0.587 4.927 4.340 -0.000 0.000 0.272 551 L C -0.065 176.783 176.870 -0.036 0.000 1.035 551 L CA -0.836 53.989 54.840 -0.025 0.000 0.807 551 L CB 1.688 43.732 42.059 -0.024 0.000 1.237 551 L HN 0.012 nan 8.230 nan 0.000 0.442 552 V N 2.779 122.670 119.914 -0.037 0.000 3.007 552 V HA 0.498 4.618 4.120 -0.000 0.000 0.311 552 V C -0.900 175.166 176.094 -0.046 0.000 1.120 552 V CA -0.619 61.653 62.300 -0.046 0.000 0.980 552 V CB 2.814 34.615 31.823 -0.037 0.000 1.033 552 V HN 0.373 nan 8.190 nan 0.000 0.429 553 I N 4.828 125.364 120.570 -0.057 0.000 2.339 553 I HA 0.459 4.629 4.170 -0.000 0.000 0.290 553 I C -0.130 175.962 176.117 -0.042 0.000 0.994 553 I CA -0.541 60.729 61.300 -0.049 0.000 1.191 553 I CB 1.536 39.497 38.000 -0.066 0.000 1.343 553 I HN 0.199 nan 8.210 nan 0.000 0.458 554 V N 7.229 127.126 119.914 -0.030 0.000 2.435 554 V HA 0.477 4.597 4.120 -0.000 0.000 0.290 554 V C 0.082 176.168 176.094 -0.015 0.000 1.030 554 V CA -0.712 61.573 62.300 -0.026 0.000 0.881 554 V CB 2.229 34.035 31.823 -0.028 0.000 0.983 554 V HN 0.419 nan 8.190 nan 0.000 0.445 555 V N 4.781 124.689 119.914 -0.009 0.000 2.448 555 V HA 0.791 4.910 4.120 -0.000 0.000 0.295 555 V C 0.237 176.342 176.094 0.018 0.000 1.025 555 V CA -0.069 62.237 62.300 0.010 0.000 0.859 555 V CB 1.772 33.601 31.823 0.011 0.000 0.988 555 V HN 1.121 nan 8.190 nan 0.000 0.431 556 T N 1.591 116.168 114.554 0.039 0.000 2.647 556 T HA 0.826 5.176 4.350 -0.000 0.000 0.295 556 T C -0.134 174.641 174.700 0.125 0.000 1.126 556 T CA -0.250 61.881 62.100 0.051 0.000 1.040 556 T CB 1.774 70.635 68.868 -0.011 0.000 1.472 556 T HN 0.913 nan 8.240 nan 0.000 0.500 557 G N -0.641 108.265 108.800 0.177 0.000 2.473 557 G HA2 0.503 4.462 3.960 -0.000 0.000 0.321 557 G HA3 0.503 4.462 3.960 -0.000 0.000 0.321 557 G C 0.617 175.779 174.900 0.437 0.000 1.200 557 G CA -0.692 44.577 45.100 0.281 0.000 0.963 557 G HN 0.937 nan 8.290 nan 0.000 0.483 558 W N 0.972 122.450 121.300 0.297 0.000 2.519 558 W HA 0.156 4.816 4.660 -0.000 0.000 0.266 558 W C 0.265 176.942 176.519 0.264 0.000 1.253 558 W CA 0.180 57.691 57.345 0.276 0.000 1.274 558 W CB -0.399 29.130 29.460 0.114 0.000 1.114 558 W HN 0.530 nan 8.180 nan 0.000 0.596 559 R N -0.716 119.504 120.500 -0.467 0.000 2.764 559 R HA 0.619 4.958 4.340 -0.000 0.000 0.270 559 R C -3.287 172.392 176.300 -1.035 0.000 1.014 559 R CA -2.073 53.304 56.100 -1.205 0.000 0.904 559 R CB 0.080 29.543 30.300 -1.395 0.000 1.236 559 R HN -0.389 nan 8.270 nan 0.000 0.466 560 P HA 0.490 nan 4.420 nan 0.000 0.274 560 P C -0.264 176.903 177.300 -0.223 0.000 1.246 560 P CA 0.521 63.322 63.100 -0.497 0.000 0.795 560 P CB 0.887 32.222 31.700 -0.609 0.000 1.006 561 G N -0.296 108.495 108.800 -0.015 0.000 2.525 561 G HA2 0.155 4.115 3.960 -0.000 0.000 0.685 561 G HA3 0.155 4.115 3.960 -0.000 0.000 0.685 561 G C -0.524 174.423 174.900 0.077 0.000 1.290 561 G CA -0.192 44.938 45.100 0.050 0.000 0.915 561 G HN 0.728 nan 8.290 nan 0.000 0.548 562 S N -0.993 114.700 115.700 -0.011 0.000 2.687 562 S HA 0.742 5.211 4.470 -0.000 0.000 0.283 562 S C 1.475 175.895 174.600 -0.300 0.000 1.170 562 S CA 0.985 59.140 58.200 -0.075 0.000 1.008 562 S CB 1.417 64.575 63.200 -0.071 0.000 1.026 562 S HN 2.935 nan 8.310 nan 0.000 0.541 563 G N 0.656 109.314 108.800 -0.237 0.000 2.143 563 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.248 563 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.248 563 G C 0.026 174.660 174.900 -0.443 0.000 0.991 563 G CA 0.774 45.665 45.100 -0.348 0.000 0.689 563 G HN 0.878 nan 8.290 nan 0.000 0.522 564 Y N 0.090 120.387 120.300 -0.004 0.000 2.707 564 Y HA 0.322 4.872 4.550 -0.001 0.000 0.249 564 Y C 1.486 177.428 175.900 0.071 0.000 1.166 564 Y CA -0.173 57.909 58.100 -0.030 0.000 1.184 564 Y CB 0.764 38.981 38.460 -0.405 0.000 1.240 564 Y HN 0.168 nan 8.280 nan 0.000 0.547 565 T N 3.527 118.195 114.554 0.190 0.000 2.866 565 T HA -0.050 4.300 4.350 -0.000 0.000 0.293 565 T C 0.771 175.608 174.700 0.227 0.000 1.005 565 T CA 0.796 63.003 62.100 0.180 0.000 1.162 565 T CB -0.075 68.863 68.868 0.117 0.000 0.968 565 T HN 0.618 nan 8.240 nan 0.000 0.530 566 N N 2.989 121.836 118.700 0.245 0.000 2.194 566 N HA 0.088 4.828 4.740 -0.000 0.000 0.233 566 N C -0.849 174.763 175.510 0.170 0.000 1.392 566 N CA -0.238 52.950 53.050 0.230 0.000 0.790 566 N CB -0.261 38.426 38.487 0.332 0.000 1.291 566 N HN 0.510 nan 8.380 nan 0.000 0.518 567 I N 1.044 121.696 120.570 0.137 0.000 2.656 567 I HA 0.439 4.609 4.170 -0.000 0.000 0.292 567 I C -0.946 175.206 176.117 0.059 0.000 1.144 567 I CA -0.628 60.730 61.300 0.096 0.000 1.038 567 I CB 2.567 40.631 38.000 0.106 0.000 1.244 567 I HN 0.039 nan 8.210 nan 0.000 0.420 568 M N 6.382 126.005 119.600 0.039 0.000 2.197 568 M HA 0.571 5.050 4.480 -0.000 0.000 0.301 568 M C -1.617 174.689 176.300 0.010 0.000 0.987 568 M CA -0.366 54.945 55.300 0.019 0.000 0.921 568 M CB 1.726 34.335 32.600 0.015 0.000 1.569 568 M HN 0.625 nan 8.290 nan 0.000 0.431 569 R N 2.736 123.236 120.500 0.001 0.000 2.803 569 R HA 0.763 5.102 4.340 -0.000 0.000 0.276 569 R C -1.322 174.971 176.300 -0.011 0.000 0.978 569 R CA -1.010 55.087 56.100 -0.004 0.000 0.939 569 R CB 2.665 32.961 30.300 -0.008 0.000 1.179 569 R HN 0.522 nan 8.270 nan 0.000 0.472 570 V N 4.467 124.374 119.914 -0.010 0.000 2.357 570 V HA 0.402 4.522 4.120 -0.000 0.000 0.284 570 V C -0.490 175.595 176.094 -0.014 0.000 1.018 570 V CA -0.541 61.750 62.300 -0.014 0.000 0.841 570 V CB 1.201 33.017 31.823 -0.011 0.000 0.991 570 V HN 0.476 nan 8.190 nan 0.000 0.437 571 L N 4.190 125.402 121.223 -0.018 0.000 2.341 571 L HA 0.763 5.103 4.340 -0.000 0.000 0.267 571 L C 0.243 177.103 176.870 -0.017 0.000 1.009 571 L CA -0.599 54.231 54.840 -0.017 0.000 0.819 571 L CB 2.315 44.363 42.059 -0.019 0.000 1.323 571 L HN 0.631 nan 8.230 nan 0.000 0.425 572 S N 0.984 116.676 115.700 -0.014 0.000 2.565 572 S HA 0.703 5.173 4.470 -0.000 0.000 0.290 572 S C -0.243 174.349 174.600 -0.013 0.000 1.150 572 S CA -0.774 57.418 58.200 -0.013 0.000 1.058 572 S CB 1.559 64.754 63.200 -0.009 0.000 1.032 572 S HN 0.334 nan 8.310 nan 0.000 0.510 573 I N 0.000 120.562 120.570 -0.013 0.000 2.984 573 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 573 I CA 0.000 61.292 61.300 -0.013 0.000 1.566 573 I CB 0.000 37.992 38.000 -0.014 0.000 1.214 573 I HN 0.000 nan 8.210 nan 0.000 0.494