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 2fqi_1_A DATA FIRST_RESID 34 DATA SEQUENCE DERFYAEHLM PTLQGLLDPE SAHRLAVRFT SLGLLPRAXF QDSDMLEVRV DATA SEQUENCE LGHKFRNPVG IAAGFDKHGE AVDGLYKMGF GFVEIGSVTP KPQEGNPRPR DATA SEQUENCE VFRLPEDQAV INRYGFNSHG LSVVEHRLRA RQQKQAKLTE DGLPLGVNLG DATA SEQUENCE KNKTSVDAAE DYAEGVRVLG PLADYLVVNV SSPNTAGLRS LQGKAELRRL DATA SEQUENCE LTKVLQERDG LRRVHRPAVL VKIAPDLTSQ DKEDIASVVK ELGIDGLIVT DATA SEQUENCE NTTVSRPAGL QGALRSETGG LSGKPLRDLS TQTIREMYAL TQGRVPIIGV DATA SEQUENCE GGVSSGQDAL EKIRAGASLV QLYTALTFWG PPVVGKVKRE LEALLKEQGF DATA SEQUENCE GGVTDAIGAD HRR 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 34 D HA 0.000 nan 4.640 nan 0.000 0.175 34 D C 0.000 176.468 176.300 0.280 0.000 2.045 34 D CA 0.000 54.131 54.000 0.219 0.000 0.868 34 D CB 0.000 40.936 40.800 0.227 0.000 0.688 35 E N 2.096 122.383 120.200 0.145 0.000 2.058 35 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 35 E C 1.668 178.370 176.600 0.171 0.000 0.997 35 E CA 0.898 57.366 56.400 0.114 0.000 0.801 35 E CB 0.282 29.990 29.700 0.013 0.000 0.746 35 E HN 0.393 nan 8.360 nan 0.000 0.450 36 R N 0.084 120.683 120.500 0.165 0.000 2.073 36 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 36 R C 2.336 178.808 176.300 0.286 0.000 1.134 36 R CA 1.297 57.498 56.100 0.169 0.000 0.952 36 R CB -0.490 29.903 30.300 0.155 0.000 0.850 36 R HN 0.159 nan 8.270 nan 0.000 0.433 37 F N 0.728 120.819 119.950 0.235 0.000 2.095 37 F HA -0.256 4.271 4.527 0.000 0.000 0.298 37 F C 1.860 177.811 175.800 0.253 0.000 1.104 37 F CA 1.408 59.572 58.000 0.273 0.000 1.232 37 F CB -0.456 38.658 39.000 0.190 0.000 0.987 37 F HN -0.071 nan 8.300 nan 0.000 0.475 38 Y N 0.018 120.388 120.300 0.116 0.000 2.163 38 Y HA -0.103 4.447 4.550 -0.000 0.000 0.288 38 Y C 2.624 178.561 175.900 0.061 0.000 1.136 38 Y CA 1.579 59.697 58.100 0.030 0.000 1.147 38 Y CB -1.246 37.303 38.460 0.148 0.000 0.987 38 Y HN 0.134 nan 8.280 nan 0.000 0.509 39 A N -0.119 122.885 122.820 0.306 0.000 1.898 39 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 39 A C 1.967 179.658 177.584 0.179 0.000 1.181 39 A CA 1.899 54.150 52.037 0.358 0.000 0.620 39 A CB -0.466 18.663 19.000 0.216 0.000 0.819 39 A HN 0.530 nan 8.150 nan 0.000 0.442 40 E N -2.221 117.981 120.200 0.004 0.000 2.276 40 E HA 0.013 4.363 4.350 -0.000 0.000 0.193 40 E C 1.313 177.565 176.600 -0.579 0.000 0.983 40 E CA 0.952 57.201 56.400 -0.253 0.000 0.861 40 E CB 0.070 29.585 29.700 -0.309 0.000 0.817 40 E HN 0.860 nan 8.360 nan 0.000 0.485 41 H N -0.901 118.038 119.070 -0.217 0.000 2.067 41 H HA 0.172 4.728 4.556 0.000 0.000 0.220 41 H C 1.697 176.777 175.328 -0.413 0.000 0.883 41 H CA -0.179 55.674 56.048 -0.326 0.000 1.042 41 H CB 0.069 29.575 29.762 -0.427 0.000 1.305 41 H HN -0.099 nan 8.280 nan 0.000 0.430 42 L N 0.321 121.195 121.223 -0.582 0.000 1.955 42 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 42 L C 1.840 178.573 176.870 -0.230 0.000 1.072 42 L CA 1.388 55.935 54.840 -0.489 0.000 0.755 42 L CB -0.108 41.476 42.059 -0.792 0.000 0.888 42 L HN 0.239 nan 8.230 nan 0.000 0.432 43 M N -0.470 119.048 119.600 -0.137 0.000 2.080 43 M HA -0.138 4.342 4.480 -0.000 0.000 0.260 43 M C 0.051 176.323 176.300 -0.047 0.000 1.068 43 M CA 2.018 57.295 55.300 -0.039 0.000 1.109 43 M CB -2.552 30.085 32.600 0.061 0.000 1.342 43 M HN 0.145 nan 8.290 nan 0.000 0.405 44 P HA -0.101 nan 4.420 nan 0.000 0.215 44 P C 1.576 178.853 177.300 -0.039 0.000 1.153 44 P CA 1.563 64.648 63.100 -0.025 0.000 0.853 44 P CB -0.237 31.444 31.700 -0.031 0.000 0.788 45 T N -0.226 114.294 114.554 -0.057 0.000 2.708 45 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 45 T C 1.686 176.358 174.700 -0.048 0.000 1.037 45 T CA 0.975 63.048 62.100 -0.044 0.000 1.146 45 T CB -0.978 67.862 68.868 -0.047 0.000 0.865 45 T HN -0.026 nan 8.240 nan 0.000 0.435 46 L N 1.343 122.525 121.223 -0.068 0.000 2.042 46 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 46 L C 2.399 179.230 176.870 -0.064 0.000 1.076 46 L CA 1.760 56.556 54.840 -0.072 0.000 0.749 46 L CB -0.711 41.291 42.059 -0.095 0.000 0.893 46 L HN 0.287 nan 8.230 nan 0.000 0.432 47 Q N -1.328 118.434 119.800 -0.062 0.000 2.369 47 Q HA -0.051 4.289 4.340 -0.000 0.000 0.206 47 Q C 1.849 177.824 176.000 -0.041 0.000 0.963 47 Q CA 0.916 56.681 55.803 -0.062 0.000 0.894 47 Q CB -0.271 28.422 28.738 -0.074 0.000 0.965 47 Q HN 0.664 nan 8.270 nan 0.000 0.475 48 G N -0.142 108.639 108.800 -0.031 0.000 2.777 48 G HA2 0.015 3.974 3.960 -0.000 0.000 0.211 48 G HA3 0.015 3.974 3.960 -0.000 0.000 0.211 48 G C 1.197 176.086 174.900 -0.018 0.000 1.149 48 G CA 0.013 45.102 45.100 -0.019 0.000 0.785 48 G HN 0.151 nan 8.290 nan 0.000 0.536 49 L N -0.819 120.388 121.223 -0.025 0.000 2.537 49 L HA 0.448 4.788 4.340 -0.000 0.000 0.224 49 L C 0.361 177.216 176.870 -0.025 0.000 1.065 49 L CA 0.205 55.032 54.840 -0.021 0.000 0.860 49 L CB 0.237 42.283 42.059 -0.022 0.000 1.086 49 L HN 0.015 nan 8.230 nan 0.000 0.482 50 L N 0.252 121.454 121.223 -0.035 0.000 2.362 50 L HA 0.324 4.664 4.340 -0.000 0.000 0.271 50 L C -0.635 176.210 176.870 -0.041 0.000 1.002 50 L CA -1.005 53.813 54.840 -0.037 0.000 0.818 50 L CB 1.934 43.965 42.059 -0.046 0.000 1.298 50 L HN 0.068 nan 8.230 nan 0.000 0.420 51 D N 2.178 122.554 120.400 -0.040 0.000 2.357 51 D HA 0.064 4.704 4.640 -0.000 0.000 0.242 51 D C -2.004 174.257 176.300 -0.065 0.000 1.153 51 D CA -1.300 52.668 54.000 -0.054 0.000 0.918 51 D CB 1.134 41.900 40.800 -0.057 0.000 1.181 51 D HN 0.261 nan 8.370 nan 0.000 0.435 52 P HA -0.248 nan 4.420 nan 0.000 0.215 52 P C 1.313 178.590 177.300 -0.038 0.000 1.157 52 P CA 1.562 64.602 63.100 -0.101 0.000 0.874 52 P CB 0.178 31.775 31.700 -0.173 0.000 0.790 53 E N -0.198 119.969 120.200 -0.054 0.000 2.106 53 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 53 E C 2.103 178.754 176.600 0.085 0.000 0.984 53 E CA 1.197 57.630 56.400 0.056 0.000 0.806 53 E CB -0.230 29.473 29.700 0.005 0.000 0.750 53 E HN 0.096 nan 8.360 nan 0.000 0.458 54 S N 0.310 116.022 115.700 0.020 0.000 2.383 54 S HA -0.124 4.346 4.470 -0.000 0.000 0.227 54 S C 2.010 176.608 174.600 -0.004 0.000 1.026 54 S CA 0.863 59.068 58.200 0.008 0.000 0.981 54 S CB -0.199 62.994 63.200 -0.011 0.000 0.818 54 S HN 0.481 nan 8.310 nan 0.000 0.472 55 A N 1.447 124.264 122.820 -0.005 0.000 1.902 55 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 55 A C 1.960 179.558 177.584 0.024 0.000 1.181 55 A CA 1.692 53.717 52.037 -0.020 0.000 0.623 55 A CB -1.006 17.975 19.000 -0.032 0.000 0.818 55 A HN 0.708 nan 8.150 nan 0.000 0.443 56 H N -0.387 118.679 119.070 -0.008 0.000 2.321 56 H HA -0.059 4.497 4.556 0.000 0.000 0.300 56 H C 2.290 177.582 175.328 -0.059 0.000 1.087 56 H CA 1.580 57.632 56.048 0.006 0.000 1.319 56 H CB -0.080 29.703 29.762 0.035 0.000 1.379 56 H HN 0.410 nan 8.280 nan 0.000 0.501 57 R N 0.015 120.415 120.500 -0.167 0.000 2.091 57 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 57 R C 2.564 178.770 176.300 -0.158 0.000 1.136 57 R CA 1.283 57.261 56.100 -0.202 0.000 0.959 57 R CB -0.375 29.899 30.300 -0.044 0.000 0.856 57 R HN 0.263 nan 8.270 nan 0.000 0.437 58 L N 0.759 121.920 121.223 -0.104 0.000 2.083 58 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 58 L C 2.252 179.066 176.870 -0.094 0.000 1.083 58 L CA 1.791 56.574 54.840 -0.096 0.000 0.752 58 L CB -0.581 41.362 42.059 -0.194 0.000 0.899 58 L HN 0.110 nan 8.230 nan 0.000 0.433 59 A N -1.214 121.548 122.820 -0.097 0.000 1.902 59 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 59 A C 2.254 179.893 177.584 0.091 0.000 1.181 59 A CA 2.022 54.094 52.037 0.057 0.000 0.623 59 A CB -1.059 18.073 19.000 0.220 0.000 0.818 59 A HN 0.288 nan 8.150 nan 0.000 0.443 60 V N 0.149 119.931 119.914 -0.220 0.000 2.358 60 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 60 V C 2.654 178.734 176.094 -0.022 0.000 1.047 60 V CA 2.149 64.289 62.300 -0.267 0.000 1.035 60 V CB -0.842 30.673 31.823 -0.514 0.000 0.658 60 V HN 0.517 nan 8.190 nan 0.000 0.452 61 R N -0.863 119.659 120.500 0.035 0.000 2.070 61 R HA -0.152 4.188 4.340 -0.000 0.000 0.233 61 R C 2.289 178.727 176.300 0.230 0.000 1.137 61 R CA 1.834 58.013 56.100 0.131 0.000 0.945 61 R CB -0.640 29.768 30.300 0.180 0.000 0.845 61 R HN 0.385 nan 8.270 nan 0.000 0.430 62 F N 1.171 121.140 119.950 0.032 0.000 2.126 62 F HA -0.189 4.338 4.527 0.000 0.000 0.299 62 F C 2.634 178.480 175.800 0.076 0.000 1.096 62 F CA 1.466 59.502 58.000 0.061 0.000 1.255 62 F CB -0.900 38.150 39.000 0.084 0.000 0.997 62 F HN 0.020 nan 8.300 nan 0.000 0.479 63 T N -0.764 113.961 114.554 0.286 0.000 2.777 63 T HA -0.173 4.177 4.350 -0.000 0.000 0.266 63 T C 2.281 177.060 174.700 0.131 0.000 1.040 63 T CA 1.656 63.883 62.100 0.211 0.000 1.141 63 T CB -0.606 68.426 68.868 0.273 0.000 0.868 63 T HN 0.392 nan 8.240 nan 0.000 0.444 64 S N 1.660 117.421 115.700 0.101 0.000 2.419 64 S HA 0.040 4.510 4.470 -0.000 0.000 0.233 64 S C 1.863 176.488 174.600 0.042 0.000 1.016 64 S CA 0.747 58.983 58.200 0.059 0.000 0.974 64 S CB -0.672 62.551 63.200 0.038 0.000 0.786 64 S HN 0.459 nan 8.310 nan 0.000 0.492 65 L N 0.901 122.142 121.223 0.029 0.000 2.591 65 L HA 0.323 4.663 4.340 -0.000 0.000 0.228 65 L C 1.837 178.700 176.870 -0.012 0.000 1.133 65 L CA 0.323 55.153 54.840 -0.016 0.000 0.880 65 L CB -0.624 41.383 42.059 -0.086 0.000 1.033 65 L HN 0.591 nan 8.230 nan 0.000 0.450 66 G N 0.793 109.610 108.800 0.029 0.000 2.143 66 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.248 66 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.248 66 G C 0.307 175.227 174.900 0.033 0.000 0.991 66 G CA -0.197 44.927 45.100 0.040 0.000 0.689 66 G HN 0.277 nan 8.290 nan 0.000 0.522 67 L N 0.713 121.942 121.223 0.010 0.000 2.384 67 L HA 0.490 4.830 4.340 -0.000 0.000 0.258 67 L C 0.553 177.518 176.870 0.158 0.000 1.266 67 L CA 0.084 54.928 54.840 0.006 0.000 1.162 67 L CB -0.216 41.696 42.059 -0.245 0.000 1.375 67 L HN 0.152 nan 8.230 nan 0.000 0.420 68 L N 2.918 124.221 121.223 0.133 0.000 2.371 68 L HA 0.627 4.967 4.340 -0.000 0.000 0.262 68 L C -2.123 174.821 176.870 0.124 0.000 1.006 68 L CA -1.919 53.010 54.840 0.148 0.000 0.818 68 L CB 2.158 44.276 42.059 0.097 0.000 1.354 68 L HN 0.226 nan 8.230 nan 0.000 0.415 69 P HA 0.200 nan 4.420 nan 0.000 0.276 69 P C -0.955 176.362 177.300 0.029 0.000 1.230 69 P CA -0.487 62.666 63.100 0.087 0.000 0.776 69 P CB 0.659 32.356 31.700 -0.005 0.000 0.888 70 R N 1.558 122.083 120.500 0.042 0.000 2.480 70 R HA 0.310 4.650 4.340 -0.000 0.000 0.303 70 R C 0.757 177.066 176.300 0.014 0.000 0.985 70 R CA -0.036 56.081 56.100 0.028 0.000 1.051 70 R CB 0.110 30.428 30.300 0.030 0.000 0.935 70 R HN 0.579 nan 8.270 nan 0.000 0.410 74 Q N 4.558 123.871 119.800 -0.811 0.000 2.331 74 Q HA 0.243 4.583 4.340 -0.000 0.000 0.257 74 Q C -1.038 174.433 176.000 -0.880 0.000 0.957 74 Q CA -0.502 54.941 55.803 -0.600 0.000 0.923 74 Q CB 1.428 29.945 28.738 -0.368 0.000 1.212 74 Q HN 0.502 nan 8.270 nan 0.000 0.443 75 D N 1.843 122.011 120.400 -0.385 0.000 2.417 75 D HA 0.029 4.669 4.640 -0.000 0.000 0.250 75 D C 0.326 176.561 176.300 -0.108 0.000 1.166 75 D CA 0.373 54.298 54.000 -0.125 0.000 0.881 75 D CB 0.725 41.567 40.800 0.069 0.000 1.164 75 D HN 0.414 nan 8.370 nan 0.000 0.467 76 S N 1.329 117.008 115.700 -0.036 0.000 2.687 76 S HA 0.220 4.690 4.470 -0.000 0.000 0.283 76 S C 0.720 175.346 174.600 0.044 0.000 1.170 76 S CA -0.817 57.378 58.200 -0.008 0.000 1.008 76 S CB 1.629 64.840 63.200 0.018 0.000 1.026 76 S HN 0.162 nan 8.310 nan 0.000 0.541 77 D N 0.990 121.410 120.400 0.033 0.000 2.221 77 D HA -0.114 4.526 4.640 -0.000 0.000 0.204 77 D C 1.713 178.050 176.300 0.061 0.000 0.982 77 D CA 1.423 55.450 54.000 0.044 0.000 0.857 77 D CB -0.396 40.423 40.800 0.033 0.000 0.934 77 D HN 0.574 nan 8.370 nan 0.000 0.475 78 M N -0.297 119.344 119.600 0.069 0.000 2.202 78 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 78 M C 1.762 178.113 176.300 0.085 0.000 1.063 78 M CA 1.029 56.376 55.300 0.078 0.000 1.097 78 M CB -0.108 32.545 32.600 0.088 0.000 1.382 78 M HN 0.037 nan 8.290 nan 0.000 0.413 79 L N -0.598 120.690 121.223 0.107 0.000 2.558 79 L HA 0.043 4.383 4.340 -0.000 0.000 0.225 79 L C 1.024 177.965 176.870 0.118 0.000 1.128 79 L CA -0.136 54.776 54.840 0.120 0.000 0.868 79 L CB -0.468 41.696 42.059 0.175 0.000 1.006 79 L HN 0.277 nan 8.230 nan 0.000 0.454 80 E N 1.097 121.360 120.200 0.106 0.000 2.360 80 E HA 0.268 4.618 4.350 -0.000 0.000 0.269 80 E C -1.137 175.524 176.600 0.102 0.000 1.022 80 E CA -0.140 56.329 56.400 0.115 0.000 0.887 80 E CB 1.065 30.820 29.700 0.092 0.000 0.990 80 E HN -0.135 nan 8.360 nan 0.000 0.426 81 V N 4.819 124.815 119.914 0.137 0.000 2.760 81 V HA 0.373 4.493 4.120 -0.000 0.000 0.309 81 V C -0.570 175.628 176.094 0.175 0.000 1.077 81 V CA -0.829 61.528 62.300 0.096 0.000 0.910 81 V CB 1.912 33.736 31.823 0.001 0.000 1.008 81 V HN 0.718 nan 8.190 nan 0.000 0.424 82 R N 3.842 124.410 120.500 0.114 0.000 2.337 82 R HA 0.822 5.162 4.340 -0.000 0.000 0.319 82 R C -1.270 175.087 176.300 0.096 0.000 0.954 82 R CA -0.273 55.913 56.100 0.143 0.000 0.840 82 R CB 1.530 31.879 30.300 0.083 0.000 1.164 82 R HN 0.737 nan 8.270 nan 0.000 0.472 83 V N 1.094 121.105 119.914 0.161 0.000 3.258 83 V HA 0.423 4.543 4.120 -0.000 0.000 0.299 83 V C 0.347 176.541 176.094 0.168 0.000 1.376 83 V CA -1.206 61.133 62.300 0.065 0.000 1.063 83 V CB 1.760 33.523 31.823 -0.100 0.000 1.103 83 V HN 0.853 nan 8.190 nan 0.000 0.451 84 L N 0.937 122.203 121.223 0.071 0.000 3.976 84 L HA -0.185 4.155 4.340 -0.000 0.000 0.418 84 L C 1.455 178.397 176.870 0.119 0.000 1.177 84 L CA 0.943 55.848 54.840 0.109 0.000 0.968 84 L CB -1.670 40.481 42.059 0.154 0.000 1.933 84 L HN 2.096 nan 8.230 nan 0.000 0.976 85 G N -1.332 107.471 108.800 0.005 0.000 2.147 85 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 85 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 85 G C 0.118 174.723 174.900 -0.491 0.000 1.005 85 G CA 0.532 45.512 45.100 -0.200 0.000 0.713 85 G HN 0.640 nan 8.290 nan 0.000 0.515 86 H N -1.177 117.937 119.070 0.073 0.000 3.008 86 H HA 0.503 5.058 4.556 -0.000 0.000 0.354 86 H C -0.403 174.936 175.328 0.017 0.000 1.252 86 H CA -0.591 55.440 56.048 -0.028 0.000 1.117 86 H CB 1.800 31.443 29.762 -0.197 0.000 1.857 86 H HN 0.246 nan 8.280 nan 0.000 0.547 87 K N 1.498 121.923 120.400 0.042 0.000 2.159 87 K HA 0.400 4.720 4.320 -0.000 0.000 0.266 87 K C -1.468 175.087 176.600 -0.074 0.000 0.975 87 K CA -0.413 55.919 56.287 0.074 0.000 0.865 87 K CB 0.626 33.150 32.500 0.040 0.000 1.087 87 K HN 0.206 nan 8.250 nan 0.000 0.446 88 F N 4.332 124.315 119.950 0.056 0.000 2.427 88 F HA 0.323 4.850 4.527 0.000 0.000 0.348 88 F C 1.300 177.158 175.800 0.096 0.000 1.125 88 F CA -0.960 57.088 58.000 0.079 0.000 0.989 88 F CB 1.693 40.713 39.000 0.033 0.000 1.165 88 F HN 0.637 nan 8.300 nan 0.000 0.442 89 R N 1.352 121.983 120.500 0.219 0.000 2.127 89 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 89 R C -0.356 176.071 176.300 0.211 0.000 1.134 89 R CA 1.624 57.828 56.100 0.173 0.000 0.975 89 R CB -0.538 29.835 30.300 0.123 0.000 0.865 89 R HN 0.695 nan 8.270 nan 0.000 0.447 90 N N -1.409 117.462 118.700 0.284 0.000 2.494 90 N HA 0.245 4.985 4.740 -0.000 0.000 0.270 90 N C -2.741 172.964 175.510 0.324 0.000 1.285 90 N CA -2.097 51.112 53.050 0.265 0.000 0.812 90 N CB 2.165 40.804 38.487 0.253 0.000 1.557 90 N HN -0.272 nan 8.380 nan 0.000 0.487 91 P HA 0.121 nan 4.420 nan 0.000 0.257 91 P C -0.747 176.770 177.300 0.362 0.000 1.325 91 P CA 0.093 63.334 63.100 0.234 0.000 0.850 91 P CB 0.254 32.004 31.700 0.083 0.000 1.324 92 V N 0.538 120.654 119.914 0.336 0.000 2.333 92 V HA 0.628 4.748 4.120 -0.000 0.000 0.274 92 V C 0.920 177.153 176.094 0.230 0.000 1.028 92 V CA -0.377 62.079 62.300 0.260 0.000 0.851 92 V CB 1.093 33.006 31.823 0.151 0.000 1.000 92 V HN 0.116 nan 8.190 nan 0.000 0.456 93 G N 3.392 112.071 108.800 -0.202 0.000 2.568 93 G HA2 0.685 4.645 3.960 -0.000 0.000 0.313 93 G HA3 0.685 4.645 3.960 -0.000 0.000 0.313 93 G C -1.209 173.220 174.900 -0.785 0.000 1.227 93 G CA -0.819 43.734 45.100 -0.912 0.000 0.979 93 G HN 0.577 nan 8.290 nan 0.000 0.486 94 I N 1.258 121.052 120.570 -1.294 0.000 2.325 94 I HA 0.616 4.786 4.170 -0.000 0.000 0.291 94 I C 0.810 176.553 176.117 -0.623 0.000 1.019 94 I CA -0.602 59.927 61.300 -1.285 0.000 1.302 94 I CB 0.695 37.732 38.000 -1.604 0.000 1.401 94 I HN 0.656 nan 8.210 nan 0.000 0.485 95 A N 6.322 128.921 122.820 -0.367 0.000 2.366 95 A HA 0.698 5.018 4.320 -0.000 0.000 0.249 95 A C 0.505 178.000 177.584 -0.148 0.000 1.084 95 A CA -0.022 51.928 52.037 -0.144 0.000 0.794 95 A CB -0.144 18.870 19.000 0.023 0.000 1.034 95 A HN 1.116 nan 8.150 nan 0.000 0.491 96 A N -0.340 122.459 122.820 -0.035 0.000 2.507 96 A HA 0.493 4.813 4.320 -0.000 0.000 0.235 96 A C 1.578 179.155 177.584 -0.011 0.000 1.070 96 A CA 0.904 52.919 52.037 -0.037 0.000 0.768 96 A CB -0.492 18.528 19.000 0.033 0.000 1.011 96 A HN 2.723 nan 8.150 nan 0.000 0.502 97 G N -0.345 108.409 108.800 -0.077 0.000 2.313 97 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.215 97 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.215 97 G C 0.903 175.692 174.900 -0.185 0.000 1.023 97 G CA 0.930 46.011 45.100 -0.032 0.000 0.626 97 G HN 1.297 nan 8.290 nan 0.000 0.503 98 F N 2.132 121.696 119.950 -0.644 0.000 2.128 98 F HA 0.345 4.871 4.527 -0.000 0.000 0.295 98 F C 0.976 176.663 175.800 -0.188 0.000 1.100 98 F CA 1.673 59.306 58.000 -0.613 0.000 1.260 98 F CB 0.330 38.768 39.000 -0.936 0.000 1.009 98 F HN 0.086 nan 8.300 nan 0.000 0.476 99 D N 0.320 120.528 120.400 -0.320 0.000 2.483 99 D HA 0.158 4.798 4.640 -0.000 0.000 0.281 99 D C 0.754 176.829 176.300 -0.376 0.000 1.174 99 D CA -0.038 53.743 54.000 -0.365 0.000 0.938 99 D CB 0.360 41.044 40.800 -0.193 0.000 1.002 99 D HN 0.171 nan 8.370 nan 0.000 0.501 100 K N 0.139 120.206 120.400 -0.555 0.000 2.148 100 K HA -0.085 4.235 4.320 -0.000 0.000 0.204 100 K C 0.765 176.994 176.600 -0.617 0.000 1.050 100 K CA 0.923 56.832 56.287 -0.631 0.000 0.942 100 K CB 0.187 32.186 32.500 -0.836 0.000 0.724 100 K HN 0.478 nan 8.250 nan 0.000 0.446 101 H N -1.106 117.790 119.070 -0.289 0.000 2.542 101 H HA 0.212 4.768 4.556 -0.000 0.000 0.283 101 H C 0.728 175.963 175.328 -0.155 0.000 1.059 101 H CA 0.407 56.283 56.048 -0.287 0.000 1.162 101 H CB 0.620 30.012 29.762 -0.617 0.000 1.539 101 H HN 0.317 nan 8.280 nan 0.000 0.543 102 G N 2.048 110.786 108.800 -0.103 0.000 2.272 102 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.280 102 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.280 102 G C 0.593 175.477 174.900 -0.026 0.000 1.067 102 G CA 0.512 45.574 45.100 -0.064 0.000 0.902 102 G HN 0.528 nan 8.290 nan 0.000 0.500 103 E N -0.757 119.418 120.200 -0.042 0.000 2.452 103 E HA 0.410 4.760 4.350 -0.000 0.000 0.197 103 E C 1.835 178.427 176.600 -0.014 0.000 1.022 103 E CA 0.594 56.989 56.400 -0.010 0.000 0.890 103 E CB 0.474 30.173 29.700 -0.001 0.000 0.918 103 E HN 0.795 nan 8.360 nan 0.000 0.496 104 A N 0.579 123.379 122.820 -0.032 0.000 2.610 104 A HA 0.245 4.565 4.320 -0.000 0.000 0.290 104 A C 1.415 178.995 177.584 -0.006 0.000 1.001 104 A CA -0.257 51.784 52.037 0.007 0.000 1.004 104 A CB 0.033 19.058 19.000 0.042 0.000 1.220 104 A HN 0.025 nan 8.150 nan 0.000 0.507 105 V N 0.374 120.265 119.914 -0.038 0.000 2.252 105 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 105 V C 2.191 178.242 176.094 -0.072 0.000 1.056 105 V CA 2.568 64.804 62.300 -0.107 0.000 1.022 105 V CB -0.487 31.310 31.823 -0.043 0.000 0.641 105 V HN 0.590 nan 8.190 nan 0.000 0.445 106 D N 0.457 120.908 120.400 0.086 0.000 2.144 106 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 106 D C 2.188 178.578 176.300 0.151 0.000 0.984 106 D CA 1.697 55.813 54.000 0.195 0.000 0.834 106 D CB -0.366 40.523 40.800 0.148 0.000 0.955 106 D HN 0.527 nan 8.370 nan 0.000 0.465 107 G N 0.925 109.781 108.800 0.094 0.000 2.422 107 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 107 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 107 G C 1.836 176.800 174.900 0.106 0.000 1.140 107 G CA 0.123 45.284 45.100 0.100 0.000 0.775 107 G HN 0.219 nan 8.290 nan 0.000 0.545 108 L N -1.146 120.110 121.223 0.055 0.000 2.093 108 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 108 L C 2.607 179.558 176.870 0.135 0.000 1.085 108 L CA 0.780 55.664 54.840 0.073 0.000 0.755 108 L CB -0.367 41.624 42.059 -0.112 0.000 0.904 108 L HN 0.237 nan 8.230 nan 0.000 0.435 109 Y N -0.049 120.342 120.300 0.152 0.000 2.242 109 Y HA -0.269 4.281 4.550 0.000 0.000 0.291 109 Y C 2.708 178.665 175.900 0.095 0.000 1.137 109 Y CA 1.144 59.325 58.100 0.134 0.000 1.181 109 Y CB -0.069 38.445 38.460 0.091 0.000 0.989 109 Y HN 0.087 nan 8.280 nan 0.000 0.527 110 K N 0.495 121.030 120.400 0.224 0.000 2.209 110 K HA -0.207 4.113 4.320 -0.000 0.000 0.204 110 K C 2.025 178.672 176.600 0.078 0.000 1.048 110 K CA 1.093 57.460 56.287 0.133 0.000 0.940 110 K CB -0.181 32.383 32.500 0.107 0.000 0.729 110 K HN 0.319 nan 8.250 nan 0.000 0.451 111 M N -0.897 118.743 119.600 0.066 0.000 2.476 111 M HA -0.046 4.434 4.480 -0.000 0.000 0.262 111 M C 0.731 176.935 176.300 -0.160 0.000 1.079 111 M CA 1.551 56.824 55.300 -0.047 0.000 1.104 111 M CB 0.380 32.954 32.600 -0.043 0.000 1.409 111 M HN 0.495 nan 8.290 nan 0.000 0.467 112 G N -0.601 108.160 108.800 -0.065 0.000 2.192 112 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.193 112 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.193 112 G C -0.068 174.797 174.900 -0.058 0.000 0.999 112 G CA -0.672 44.390 45.100 -0.063 0.000 0.659 112 G HN 0.369 nan 8.290 nan 0.000 0.503 113 F N 1.264 121.255 119.950 0.069 0.000 2.529 113 F HA 0.427 4.954 4.527 0.000 0.000 0.365 113 F C 1.894 177.819 175.800 0.209 0.000 1.102 113 F CA 0.890 58.919 58.000 0.048 0.000 1.271 113 F CB 1.331 40.269 39.000 -0.104 0.000 1.120 113 F HN 0.020 nan 8.300 nan 0.000 0.579 114 G N 3.405 112.481 108.800 0.461 0.000 2.511 114 G HA2 0.028 3.988 3.960 -0.000 0.000 0.217 114 G HA3 0.028 3.988 3.960 -0.000 0.000 0.217 114 G C -0.221 175.135 174.900 0.760 0.000 1.133 114 G CA 0.303 45.733 45.100 0.551 0.000 0.792 114 G HN 0.608 nan 8.290 nan 0.000 0.539 115 F N -2.749 117.478 119.950 0.461 0.000 2.678 115 F HA 0.698 5.224 4.527 -0.000 0.000 0.308 115 F C -1.455 174.457 175.800 0.186 0.000 1.118 115 F CA -1.627 56.638 58.000 0.441 0.000 0.959 115 F CB 1.417 40.763 39.000 0.578 0.000 1.305 115 F HN -0.157 nan 8.300 nan 0.000 0.443 116 V N 1.297 121.272 119.914 0.102 0.000 2.604 116 V HA 0.515 4.635 4.120 -0.000 0.000 0.305 116 V C -1.025 175.009 176.094 -0.101 0.000 1.043 116 V CA -0.594 61.552 62.300 -0.256 0.000 0.888 116 V CB 1.769 33.272 31.823 -0.533 0.000 0.995 116 V HN 0.881 nan 8.190 nan 0.000 0.429 117 E N 4.356 124.454 120.200 -0.170 0.000 2.191 117 E HA 0.609 4.959 4.350 -0.000 0.000 0.263 117 E C -0.931 175.579 176.600 -0.150 0.000 0.881 117 E CA -0.617 55.723 56.400 -0.101 0.000 0.757 117 E CB 1.664 31.395 29.700 0.052 0.000 1.147 117 E HN 0.750 nan 8.360 nan 0.000 0.414 118 I N 1.197 121.677 120.570 -0.149 0.000 2.793 118 I HA 0.938 5.108 4.170 -0.000 0.000 0.313 118 I C 0.534 176.571 176.117 -0.134 0.000 0.998 118 I CA -0.184 61.023 61.300 -0.154 0.000 1.140 118 I CB 1.701 39.615 38.000 -0.144 0.000 1.327 118 I HN 0.731 nan 8.210 nan 0.000 0.491 119 G N 2.196 110.897 108.800 -0.164 0.000 2.422 119 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.607 119 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.607 119 G C -0.708 174.115 174.900 -0.128 0.000 1.270 119 G CA -0.432 44.580 45.100 -0.147 0.000 0.992 119 G HN 0.871 nan 8.290 nan 0.000 0.499 120 S N -1.061 114.592 115.700 -0.080 0.000 2.572 120 S HA 0.489 4.959 4.470 -0.000 0.000 0.279 120 S C 0.489 174.945 174.600 -0.240 0.000 1.341 120 S CA -0.097 57.999 58.200 -0.173 0.000 1.043 120 S CB 1.376 64.387 63.200 -0.314 0.000 0.887 120 S HN 1.189 nan 8.310 nan 0.000 0.516 121 V N 3.067 122.841 119.914 -0.234 0.000 2.459 121 V HA 0.520 4.640 4.120 -0.000 0.000 0.295 121 V C 0.523 176.468 176.094 -0.249 0.000 1.029 121 V CA -0.884 61.309 62.300 -0.179 0.000 0.874 121 V CB 1.612 33.372 31.823 -0.106 0.000 0.985 121 V HN 1.024 nan 8.190 nan 0.000 0.438 122 T N 2.251 116.680 114.554 -0.208 0.000 2.943 122 T HA 0.467 4.817 4.350 -0.000 0.000 0.284 122 T C -2.036 172.587 174.700 -0.129 0.000 1.015 122 T CA -2.064 59.906 62.100 -0.217 0.000 1.042 122 T CB 2.117 70.887 68.868 -0.164 0.000 1.055 122 T HN 0.343 nan 8.240 nan 0.000 0.500 123 P HA -0.064 nan 4.420 nan 0.000 0.213 123 P C 0.212 177.482 177.300 -0.050 0.000 1.170 123 P CA 1.349 64.398 63.100 -0.086 0.000 0.902 123 P CB 0.160 31.806 31.700 -0.089 0.000 0.789 124 K N -1.217 119.159 120.400 -0.040 0.000 2.118 124 K HA 0.426 4.746 4.320 -0.000 0.000 0.254 124 K C -2.518 174.078 176.600 -0.007 0.000 0.961 124 K CA -2.907 53.369 56.287 -0.018 0.000 0.876 124 K CB -0.511 31.982 32.500 -0.013 0.000 1.077 124 K HN -0.132 nan 8.250 nan 0.000 0.440 125 P HA 0.069 nan 4.420 nan 0.000 0.271 125 P C -0.939 176.376 177.300 0.024 0.000 1.218 125 P CA -0.028 63.082 63.100 0.016 0.000 0.780 125 P CB 0.455 32.154 31.700 -0.002 0.000 0.901 126 Q N -0.214 119.614 119.800 0.047 0.000 2.391 126 Q HA 0.349 4.689 4.340 -0.000 0.000 0.279 126 Q C -0.263 175.786 176.000 0.082 0.000 1.028 126 Q CA -0.743 55.096 55.803 0.059 0.000 0.836 126 Q CB 1.454 30.235 28.738 0.070 0.000 1.414 126 Q HN 0.265 nan 8.270 nan 0.000 0.397 127 E N 1.101 121.346 120.200 0.075 0.000 2.285 127 E HA 0.143 4.493 4.350 -0.000 0.000 0.194 127 E C 0.697 177.368 176.600 0.118 0.000 0.997 127 E CA 0.793 57.245 56.400 0.087 0.000 0.845 127 E CB 0.133 29.869 29.700 0.060 0.000 0.782 127 E HN 0.859 nan 8.360 nan 0.000 0.491 128 G N 1.478 110.350 108.800 0.120 0.000 2.615 128 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 128 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 128 G C -0.513 174.440 174.900 0.089 0.000 1.339 128 G CA -0.516 44.666 45.100 0.137 0.000 0.884 128 G HN 0.112 nan 8.290 nan 0.000 0.559 129 N N 2.072 120.814 118.700 0.071 0.000 2.467 129 N HA 0.509 5.249 4.740 -0.000 0.000 0.262 129 N C -1.904 173.614 175.510 0.013 0.000 1.234 129 N CA -0.540 52.527 53.050 0.028 0.000 0.952 129 N CB 0.591 39.080 38.487 0.003 0.000 1.158 129 N HN 0.545 nan 8.380 nan 0.000 0.463 130 P HA 0.142 nan 4.420 nan 0.000 0.272 130 P C -0.438 176.845 177.300 -0.028 0.000 1.223 130 P CA 0.001 63.100 63.100 -0.001 0.000 0.784 130 P CB 1.062 32.765 31.700 0.005 0.000 0.923 131 R N 1.833 122.311 120.500 -0.036 0.000 2.500 131 R HA 0.432 4.772 4.340 -0.000 0.000 0.275 131 R C -1.469 174.807 176.300 -0.040 0.000 1.051 131 R CA -1.494 54.560 56.100 -0.075 0.000 1.088 131 R CB -0.312 29.945 30.300 -0.072 0.000 1.063 131 R HN 0.510 nan 8.270 nan 0.000 0.511 132 P HA 0.147 nan 4.420 nan 0.000 0.275 132 P C -0.640 176.504 177.300 -0.260 0.000 1.228 132 P CA -0.355 62.631 63.100 -0.190 0.000 0.786 132 P CB 0.877 32.492 31.700 -0.142 0.000 0.927 133 R N 0.270 120.439 120.500 -0.550 0.000 2.549 133 R HA 0.478 4.818 4.340 -0.000 0.000 0.399 133 R C -0.602 175.222 176.300 -0.794 0.000 0.964 133 R CA -0.443 55.345 56.100 -0.520 0.000 1.173 133 R CB 0.272 30.314 30.300 -0.429 0.000 1.535 133 R HN 0.256 nan 8.270 nan 0.000 0.551 134 V N 1.426 120.646 119.914 -1.156 0.000 2.733 134 V HA 0.663 4.782 4.120 -0.000 0.000 0.306 134 V C -2.039 173.403 176.094 -1.087 0.000 1.084 134 V CA -0.742 61.049 62.300 -0.849 0.000 0.905 134 V CB 1.979 33.463 31.823 -0.565 0.000 1.010 134 V HN 0.205 nan 8.190 nan 0.000 0.424 135 F N 4.820 124.691 119.950 -0.131 0.000 2.578 135 F HA 0.689 5.216 4.527 0.000 0.000 0.311 135 F C 0.241 175.993 175.800 -0.080 0.000 1.094 135 F CA -0.789 57.154 58.000 -0.094 0.000 0.923 135 F CB 2.084 41.039 39.000 -0.075 0.000 1.230 135 F HN 0.272 nan 8.300 nan 0.000 0.450 136 R N 1.933 122.490 120.500 0.094 0.000 2.428 136 R HA 0.667 5.007 4.340 -0.000 0.000 0.294 136 R C -1.338 175.036 176.300 0.123 0.000 1.000 136 R CA -0.868 55.267 56.100 0.059 0.000 0.960 136 R CB 1.101 31.397 30.300 -0.006 0.000 1.076 136 R HN 0.436 nan 8.270 nan 0.000 0.475 137 L N 5.238 126.563 121.223 0.169 0.000 2.556 137 L HA 0.293 4.633 4.340 -0.000 0.000 0.243 137 L C -1.958 174.987 176.870 0.126 0.000 1.331 137 L CA -1.690 53.218 54.840 0.114 0.000 0.927 137 L CB 1.393 43.494 42.059 0.070 0.000 1.219 137 L HN 0.415 nan 8.230 nan 0.000 0.490 138 P HA -0.209 nan 4.420 nan 0.000 0.216 138 P C 0.994 178.257 177.300 -0.062 0.000 1.157 138 P CA 1.315 64.471 63.100 0.093 0.000 0.880 138 P CB 0.431 32.194 31.700 0.105 0.000 0.791 139 E N -0.914 119.271 120.200 -0.024 0.000 2.333 139 E HA -0.130 4.220 4.350 -0.000 0.000 0.198 139 E C 1.023 177.584 176.600 -0.065 0.000 1.007 139 E CA 1.019 57.395 56.400 -0.039 0.000 0.845 139 E CB -0.579 29.110 29.700 -0.017 0.000 0.766 139 E HN 0.407 nan 8.360 nan 0.000 0.507 140 D N -0.557 119.794 120.400 -0.081 0.000 2.433 140 D HA 0.030 4.670 4.640 -0.000 0.000 0.211 140 D C -0.222 175.978 176.300 -0.166 0.000 1.114 140 D CA 0.010 53.959 54.000 -0.085 0.000 0.837 140 D CB 0.422 41.199 40.800 -0.040 0.000 0.984 140 D HN 0.049 nan 8.370 nan 0.000 0.505 141 Q N -0.068 119.513 119.800 -0.365 0.000 2.451 141 Q HA -0.179 4.161 4.340 -0.000 0.000 0.305 141 Q C -0.376 175.422 176.000 -0.337 0.000 1.345 141 Q CA 0.582 55.900 55.803 -0.808 0.000 0.854 141 Q CB -1.307 27.128 28.738 -0.505 0.000 1.162 141 Q HN 0.382 nan 8.270 nan 0.000 0.440 142 A N -0.743 122.066 122.820 -0.019 0.000 2.486 142 A HA 0.938 5.258 4.320 -0.000 0.000 0.289 142 A C -0.774 176.946 177.584 0.227 0.000 1.176 142 A CA -0.463 51.655 52.037 0.135 0.000 0.757 142 A CB 2.141 21.166 19.000 0.042 0.000 1.337 142 A HN 0.122 nan 8.150 nan 0.000 0.423 143 V N 0.216 120.190 119.914 0.099 0.000 3.049 143 V HA 0.542 4.662 4.120 -0.000 0.000 0.309 143 V C -1.073 175.035 176.094 0.024 0.000 1.148 143 V CA -0.273 62.046 62.300 0.030 0.000 0.990 143 V CB 2.038 33.803 31.823 -0.097 0.000 1.039 143 V HN 0.743 nan 8.190 nan 0.000 0.430 144 I N 3.420 124.027 120.570 0.062 0.000 2.498 144 I HA 0.511 4.681 4.170 -0.000 0.000 0.290 144 I C -0.848 175.333 176.117 0.105 0.000 1.032 144 I CA -0.424 60.928 61.300 0.087 0.000 1.073 144 I CB 2.162 40.229 38.000 0.113 0.000 1.251 144 I HN 0.927 nan 8.210 nan 0.000 0.426 145 N N 4.683 123.408 118.700 0.041 0.000 2.242 145 N HA 0.648 5.388 4.740 -0.000 0.000 0.292 145 N C -0.838 174.670 175.510 -0.004 0.000 1.125 145 N CA -1.058 51.976 53.050 -0.026 0.000 0.783 145 N CB 1.644 40.125 38.487 -0.010 0.000 1.558 145 N HN 0.586 nan 8.380 nan 0.000 0.472 146 R N 0.682 121.140 120.500 -0.071 0.000 2.647 146 R HA 0.252 4.592 4.340 -0.000 0.000 0.295 146 R C -0.602 175.659 176.300 -0.065 0.000 1.267 146 R CA -0.650 55.429 56.100 -0.036 0.000 1.386 146 R CB -0.950 29.353 30.300 0.005 0.000 1.309 146 R HN 0.517 nan 8.270 nan 0.000 0.692 147 Y N 1.604 121.874 120.300 -0.049 0.000 2.165 147 Y HA -0.131 4.419 4.550 -0.000 0.000 0.286 147 Y C 1.975 177.867 175.900 -0.014 0.000 1.155 147 Y CA 2.216 60.298 58.100 -0.031 0.000 1.164 147 Y CB 0.124 38.574 38.460 -0.018 0.000 0.978 147 Y HN 0.712 nan 8.280 nan 0.000 0.513 148 G N -0.899 107.957 108.800 0.094 0.000 2.212 148 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.255 148 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.255 148 G C 0.201 175.179 174.900 0.129 0.000 1.062 148 G CA -0.089 45.010 45.100 -0.001 0.000 0.815 148 G HN 0.529 nan 8.290 nan 0.000 0.497 149 F N -1.135 118.872 119.950 0.095 0.000 2.985 149 F HA -0.245 4.282 4.527 0.000 0.000 0.303 149 F C 1.061 176.900 175.800 0.066 0.000 0.976 149 F CA 0.226 58.259 58.000 0.055 0.000 1.013 149 F CB -1.523 37.499 39.000 0.038 0.000 1.060 149 F HN 0.683 nan 8.300 nan 0.000 0.780 150 N N 1.470 120.330 118.700 0.267 0.000 2.468 150 N HA 0.290 5.030 4.740 -0.000 0.000 0.265 150 N C -0.331 175.313 175.510 0.223 0.000 1.199 150 N CA 0.352 53.532 53.050 0.217 0.000 0.928 150 N CB 2.017 40.642 38.487 0.230 0.000 1.059 150 N HN 0.266 nan 8.380 nan 0.000 0.467 151 S N 0.942 116.755 115.700 0.188 0.000 2.533 151 S HA 0.222 4.692 4.470 -0.000 0.000 0.271 151 S C 0.070 174.740 174.600 0.117 0.000 1.143 151 S CA -0.748 57.560 58.200 0.179 0.000 0.891 151 S CB 0.733 63.977 63.200 0.073 0.000 1.105 151 S HN 0.640 nan 8.310 nan 0.000 0.468 152 H N 2.369 121.370 119.070 -0.114 0.000 2.546 152 H HA 0.268 4.824 4.556 -0.000 0.000 0.277 152 H C 1.310 176.599 175.328 -0.065 0.000 1.004 152 H CA 0.283 56.225 56.048 -0.177 0.000 1.231 152 H CB 0.200 29.814 29.762 -0.247 0.000 1.382 152 H HN 1.022 nan 8.280 nan 0.000 0.580 153 G N -0.080 108.771 108.800 0.086 0.000 2.690 153 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.686 153 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.686 153 G C 0.415 175.325 174.900 0.017 0.000 1.277 153 G CA -0.337 44.779 45.100 0.027 0.000 0.799 153 G HN 0.179 nan 8.290 nan 0.000 0.613 154 L N 0.660 121.872 121.223 -0.018 0.000 2.012 154 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 154 L C 3.208 180.058 176.870 -0.033 0.000 1.073 154 L CA 2.440 57.260 54.840 -0.034 0.000 0.748 154 L CB -0.710 41.319 42.059 -0.050 0.000 0.891 154 L HN 0.778 nan 8.230 nan 0.000 0.431 155 S N -0.427 115.266 115.700 -0.011 0.000 2.353 155 S HA -0.180 4.290 4.470 -0.000 0.000 0.222 155 S C 1.967 176.620 174.600 0.089 0.000 1.035 155 S CA 1.662 59.869 58.200 0.012 0.000 1.025 155 S CB -0.211 63.034 63.200 0.075 0.000 0.902 155 S HN 0.188 nan 8.310 nan 0.000 0.440 156 V N 1.389 121.366 119.914 0.105 0.000 2.295 156 V HA -0.123 3.997 4.120 -0.000 0.000 0.246 156 V C 2.494 178.655 176.094 0.112 0.000 1.049 156 V CA 1.862 64.241 62.300 0.132 0.000 1.024 156 V CB -0.691 31.182 31.823 0.083 0.000 0.648 156 V HN 0.447 nan 8.190 nan 0.000 0.447 157 V N -0.041 119.915 119.914 0.070 0.000 2.407 157 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 157 V C 2.464 178.553 176.094 -0.009 0.000 1.055 157 V CA 2.180 64.504 62.300 0.040 0.000 1.049 157 V CB -0.619 31.213 31.823 0.015 0.000 0.662 157 V HN 0.687 nan 8.190 nan 0.000 0.455 158 E N 0.157 120.314 120.200 -0.073 0.000 2.038 158 E HA -0.295 4.055 4.350 -0.000 0.000 0.195 158 E C 2.120 178.610 176.600 -0.183 0.000 1.000 158 E CA 2.210 58.508 56.400 -0.170 0.000 0.803 158 E CB -0.192 29.328 29.700 -0.299 0.000 0.750 158 E HN 0.803 nan 8.360 nan 0.000 0.448 159 H N -0.567 118.504 119.070 0.001 0.000 2.423 159 H HA -0.002 4.554 4.556 -0.000 0.000 0.297 159 H C 2.290 177.622 175.328 0.007 0.000 1.075 159 H CA 1.478 57.526 56.048 0.001 0.000 1.342 159 H CB -0.010 29.750 29.762 -0.003 0.000 1.395 159 H HN 0.064 nan 8.280 nan 0.000 0.530 160 R N 0.617 121.185 120.500 0.114 0.000 2.081 160 R HA -0.081 4.258 4.340 -0.000 0.000 0.235 160 R C 1.788 178.117 176.300 0.048 0.000 1.131 160 R CA 1.066 57.212 56.100 0.077 0.000 0.960 160 R CB -0.093 30.252 30.300 0.074 0.000 0.856 160 R HN 0.303 nan 8.270 nan 0.000 0.436 161 L N -0.314 120.924 121.223 0.025 0.000 2.131 161 L HA -0.050 4.290 4.340 -0.000 0.000 0.206 161 L C 2.510 179.392 176.870 0.020 0.000 1.087 161 L CA 1.004 55.853 54.840 0.014 0.000 0.767 161 L CB -0.319 41.736 42.059 -0.007 0.000 0.917 161 L HN 0.182 nan 8.230 nan 0.000 0.441 162 R N 0.177 120.686 120.500 0.015 0.000 2.152 162 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 162 R C 2.290 178.614 176.300 0.039 0.000 1.117 162 R CA 1.125 57.238 56.100 0.023 0.000 0.981 162 R CB -0.320 29.990 30.300 0.017 0.000 0.870 162 R HN 0.308 nan 8.270 nan 0.000 0.451 163 A N 1.623 124.473 122.820 0.049 0.000 2.121 163 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 163 A C 1.559 179.165 177.584 0.037 0.000 1.154 163 A CA 1.091 53.154 52.037 0.044 0.000 0.679 163 A CB -0.193 18.836 19.000 0.047 0.000 0.795 163 A HN 0.410 nan 8.150 nan 0.000 0.458 164 R N -1.237 119.285 120.500 0.037 0.000 2.616 164 R HA 0.284 4.624 4.340 -0.000 0.000 0.427 164 R C 1.164 177.484 176.300 0.034 0.000 1.030 164 R CA 0.331 56.453 56.100 0.036 0.000 1.133 164 R CB -0.629 29.697 30.300 0.044 0.000 1.444 164 R HN 0.414 nan 8.270 nan 0.000 0.578 165 Q N 1.163 120.983 119.800 0.033 0.000 2.096 165 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 165 Q C 1.284 177.301 176.000 0.029 0.000 0.982 165 Q CA 1.825 57.648 55.803 0.035 0.000 0.850 165 Q CB 0.191 28.956 28.738 0.044 0.000 0.901 165 Q HN 0.342 nan 8.270 nan 0.000 0.422 166 Q N 0.398 120.213 119.800 0.025 0.000 2.172 166 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 166 Q C 1.778 177.781 176.000 0.004 0.000 0.964 166 Q CA 1.312 57.124 55.803 0.015 0.000 0.855 166 Q CB -0.215 28.532 28.738 0.016 0.000 0.918 166 Q HN 0.401 nan 8.270 nan 0.000 0.444 167 K N 0.664 121.070 120.400 0.009 0.000 2.097 167 K HA -0.222 4.098 4.320 -0.000 0.000 0.206 167 K C 2.020 178.612 176.600 -0.013 0.000 1.049 167 K CA 1.387 57.675 56.287 0.001 0.000 0.933 167 K CB 0.164 32.673 32.500 0.016 0.000 0.717 167 K HN -0.042 nan 8.250 nan 0.000 0.442 168 Q N 0.622 120.423 119.800 0.001 0.000 2.119 168 Q HA -0.036 4.304 4.340 -0.000 0.000 0.201 168 Q C 1.721 177.694 176.000 -0.044 0.000 0.972 168 Q CA 1.779 57.576 55.803 -0.011 0.000 0.847 168 Q CB -0.317 28.434 28.738 0.022 0.000 0.903 168 Q HN 0.404 nan 8.270 nan 0.000 0.433 169 A N 0.634 123.437 122.820 -0.029 0.000 1.908 169 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 169 A C 1.976 179.530 177.584 -0.049 0.000 1.181 169 A CA 1.819 53.834 52.037 -0.037 0.000 0.627 169 A CB -0.446 18.541 19.000 -0.022 0.000 0.818 169 A HN 0.398 nan 8.150 nan 0.000 0.445 170 K N -0.607 119.764 120.400 -0.048 0.000 2.103 170 K HA 0.056 4.376 4.320 -0.000 0.000 0.204 170 K C 1.879 178.426 176.600 -0.088 0.000 1.052 170 K CA 1.035 57.290 56.287 -0.054 0.000 0.945 170 K CB -0.314 32.161 32.500 -0.042 0.000 0.722 170 K HN 0.456 nan 8.250 nan 0.000 0.443 171 L N 0.626 121.775 121.223 -0.124 0.000 2.017 171 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 171 L C 2.441 179.184 176.870 -0.212 0.000 1.073 171 L CA 1.380 56.090 54.840 -0.218 0.000 0.745 171 L CB -0.744 41.109 42.059 -0.343 0.000 0.894 171 L HN 0.194 nan 8.230 nan 0.000 0.432 172 T N -1.019 113.431 114.554 -0.174 0.000 2.684 172 T HA -0.257 4.093 4.350 -0.000 0.000 0.267 172 T C 1.763 176.395 174.700 -0.112 0.000 1.036 172 T CA 1.741 63.735 62.100 -0.177 0.000 1.148 172 T CB -0.204 68.561 68.868 -0.171 0.000 0.863 172 T HN 0.239 nan 8.240 nan 0.000 0.436 173 E N 1.280 121.438 120.200 -0.069 0.000 2.265 173 E HA -0.141 4.209 4.350 -0.000 0.000 0.196 173 E C 1.385 177.956 176.600 -0.048 0.000 0.996 173 E CA 0.951 57.328 56.400 -0.038 0.000 0.832 173 E CB -0.311 29.370 29.700 -0.031 0.000 0.756 173 E HN 0.320 nan 8.360 nan 0.000 0.491 174 D N -1.246 119.109 120.400 -0.075 0.000 2.336 174 D HA 0.158 4.798 4.640 -0.000 0.000 0.228 174 D C 0.518 176.776 176.300 -0.070 0.000 1.120 174 D CA 0.721 54.681 54.000 -0.067 0.000 0.839 174 D CB -0.060 40.694 40.800 -0.077 0.000 0.932 174 D HN 0.275 nan 8.370 nan 0.000 0.509 175 G N 0.517 109.263 108.800 -0.089 0.000 2.132 175 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.228 175 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.228 175 G C 0.136 174.969 174.900 -0.111 0.000 1.000 175 G CA 0.081 45.127 45.100 -0.090 0.000 0.693 175 G HN 0.352 nan 8.290 nan 0.000 0.515 176 L N 0.599 121.712 121.223 -0.183 0.000 2.495 176 L HA 0.324 4.664 4.340 -0.000 0.000 0.248 176 L C -2.347 174.428 176.870 -0.158 0.000 1.229 176 L CA -1.989 52.749 54.840 -0.170 0.000 0.942 176 L CB 1.758 43.526 42.059 -0.485 0.000 1.242 176 L HN -0.101 nan 8.230 nan 0.000 0.484 177 P HA 0.128 nan 4.420 nan 0.000 0.272 177 P C -0.901 176.495 177.300 0.159 0.000 1.230 177 P CA -0.320 62.677 63.100 -0.171 0.000 0.788 177 P CB 0.897 32.285 31.700 -0.520 0.000 0.949 178 L N 1.456 122.698 121.223 0.031 0.000 2.362 178 L HA 0.779 5.119 4.340 -0.000 0.000 0.275 178 L C -0.210 176.508 176.870 -0.253 0.000 0.998 178 L CA -0.184 54.666 54.840 0.016 0.000 0.820 178 L CB 1.237 43.306 42.059 0.016 0.000 1.270 178 L HN 0.466 nan 8.230 nan 0.000 0.415 179 G N 3.735 112.268 108.800 -0.445 0.000 2.448 179 G HA2 0.640 4.600 3.960 -0.000 0.000 0.324 179 G HA3 0.640 4.600 3.960 -0.000 0.000 0.324 179 G C -1.727 172.872 174.900 -0.500 0.000 1.203 179 G CA -0.546 43.866 45.100 -1.146 0.000 0.954 179 G HN 0.501 nan 8.290 nan 0.000 0.480 180 V N 2.454 122.138 119.914 -0.383 0.000 2.483 180 V HA 0.337 4.457 4.120 -0.000 0.000 0.297 180 V C -0.496 175.552 176.094 -0.077 0.000 1.027 180 V CA -1.241 60.958 62.300 -0.169 0.000 0.855 180 V CB 1.593 33.348 31.823 -0.114 0.000 0.995 180 V HN 0.746 nan 8.190 nan 0.000 0.424 181 N N 5.292 123.964 118.700 -0.046 0.000 2.419 181 N HA 0.460 5.200 4.740 -0.000 0.000 0.264 181 N C -1.054 174.443 175.510 -0.021 0.000 1.031 181 N CA -0.284 52.774 53.050 0.012 0.000 0.951 181 N CB 1.290 39.792 38.487 0.026 0.000 1.101 181 N HN 0.602 nan 8.380 nan 0.000 0.488 182 L N 2.245 123.488 121.223 0.034 0.000 2.295 182 L HA 0.610 4.950 4.340 -0.000 0.000 0.285 182 L C 1.149 178.009 176.870 -0.017 0.000 1.035 182 L CA -0.792 54.051 54.840 0.005 0.000 0.806 182 L CB 1.735 43.867 42.059 0.122 0.000 1.214 182 L HN 0.496 nan 8.230 nan 0.000 0.426 183 G N 2.092 110.685 108.800 -0.346 0.000 3.175 183 G HA2 0.720 4.680 3.960 -0.000 0.000 0.255 183 G HA3 0.720 4.680 3.960 -0.000 0.000 0.255 183 G C -1.459 173.048 174.900 -0.655 0.000 1.352 183 G CA -0.577 44.143 45.100 -0.634 0.000 1.037 183 G HN 0.615 nan 8.290 nan 0.000 0.556 184 K N -0.863 119.262 120.400 -0.458 0.000 2.435 184 K HA 0.461 4.781 4.320 -0.000 0.000 0.251 184 K C -0.944 175.621 176.600 -0.057 0.000 0.954 184 K CA -0.893 55.204 56.287 -0.317 0.000 0.820 184 K CB 2.030 34.359 32.500 -0.284 0.000 1.292 184 K HN 0.385 nan 8.250 nan 0.000 0.436 185 N N 1.290 119.956 118.700 -0.057 0.000 2.479 185 N HA -0.017 4.723 4.740 -0.000 0.000 0.257 185 N C 0.604 176.154 175.510 0.067 0.000 1.232 185 N CA -0.251 52.811 53.050 0.021 0.000 0.920 185 N CB 1.096 39.579 38.487 -0.006 0.000 1.105 185 N HN 0.684 nan 8.380 nan 0.000 0.444 186 K N 0.387 120.841 120.400 0.091 0.000 2.063 186 K HA -0.161 4.158 4.320 -0.000 0.000 0.208 186 K C 1.033 177.663 176.600 0.051 0.000 1.048 186 K CA 1.578 57.912 56.287 0.079 0.000 0.928 186 K CB -0.085 32.458 32.500 0.072 0.000 0.713 186 K HN 0.764 nan 8.250 nan 0.000 0.442 187 T N -1.542 113.034 114.554 0.037 0.000 3.206 187 T HA 0.121 4.471 4.350 -0.000 0.000 0.253 187 T C 0.460 175.172 174.700 0.021 0.000 1.042 187 T CA -0.419 61.697 62.100 0.027 0.000 0.931 187 T CB 0.318 69.199 68.868 0.021 0.000 1.029 187 T HN 0.066 nan 8.240 nan 0.000 0.564 188 S N 0.286 115.998 115.700 0.020 0.000 2.562 188 S HA 0.247 4.717 4.470 -0.000 0.000 0.281 188 S C 1.131 175.743 174.600 0.020 0.000 1.333 188 S CA -0.653 57.554 58.200 0.010 0.000 1.052 188 S CB 0.711 63.908 63.200 -0.005 0.000 0.884 188 S HN 0.243 nan 8.310 nan 0.000 0.506 189 V N 3.135 123.059 119.914 0.017 0.000 3.471 189 V HA 0.230 4.350 4.120 -0.000 0.000 0.258 189 V C 0.548 176.659 176.094 0.028 0.000 1.192 189 V CA 0.546 62.859 62.300 0.022 0.000 1.116 189 V CB -0.020 31.813 31.823 0.017 0.000 0.792 189 V HN 0.833 nan 8.190 nan 0.000 0.459 190 D N -0.020 120.396 120.400 0.027 0.000 2.375 190 D HA 0.463 5.103 4.640 -0.000 0.000 0.259 190 D C 0.924 177.253 176.300 0.049 0.000 1.235 190 D CA 0.415 54.438 54.000 0.038 0.000 0.924 190 D CB 1.813 42.631 40.800 0.030 0.000 1.143 190 D HN 0.071 nan 8.370 nan 0.000 0.529 191 A N 3.251 126.120 122.820 0.081 0.000 1.883 191 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 191 A C 2.145 179.859 177.584 0.218 0.000 1.186 191 A CA 2.081 54.200 52.037 0.135 0.000 0.624 191 A CB -0.485 18.640 19.000 0.208 0.000 0.822 191 A HN 0.593 nan 8.150 nan 0.000 0.444 192 A N -0.486 122.449 122.820 0.192 0.000 1.908 192 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 192 A C 1.981 179.656 177.584 0.152 0.000 1.181 192 A CA 2.303 54.458 52.037 0.195 0.000 0.627 192 A CB -0.496 18.569 19.000 0.107 0.000 0.818 192 A HN 0.571 nan 8.150 nan 0.000 0.445 193 E N 0.367 120.616 120.200 0.083 0.000 2.106 193 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 193 E C 1.376 177.983 176.600 0.013 0.000 0.984 193 E CA 1.553 57.980 56.400 0.044 0.000 0.806 193 E CB -0.331 29.383 29.700 0.023 0.000 0.750 193 E HN 0.543 nan 8.360 nan 0.000 0.458 194 D N -0.847 119.531 120.400 -0.036 0.000 2.104 194 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 194 D C 1.616 177.804 176.300 -0.187 0.000 0.994 194 D CA 1.312 55.218 54.000 -0.157 0.000 0.830 194 D CB -0.356 40.272 40.800 -0.286 0.000 0.959 194 D HN 0.347 nan 8.370 nan 0.000 0.452 195 Y N 0.714 121.012 120.300 -0.002 0.000 2.242 195 Y HA -0.068 4.481 4.550 -0.000 0.000 0.291 195 Y C 2.424 178.322 175.900 -0.003 0.000 1.137 195 Y CA 0.922 59.020 58.100 -0.004 0.000 1.181 195 Y CB -0.366 38.099 38.460 0.009 0.000 0.989 195 Y HN -0.069 nan 8.280 nan 0.000 0.527 196 A N 0.407 123.312 122.820 0.142 0.000 1.908 196 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 196 A C 2.015 179.623 177.584 0.040 0.000 1.181 196 A CA 1.965 54.051 52.037 0.081 0.000 0.627 196 A CB -0.618 18.419 19.000 0.062 0.000 0.818 196 A HN 0.525 nan 8.150 nan 0.000 0.445 197 E N -0.778 119.430 120.200 0.013 0.000 2.077 197 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 197 E C 2.136 178.726 176.600 -0.017 0.000 0.989 197 E CA 0.772 57.166 56.400 -0.011 0.000 0.800 197 E CB -0.375 29.306 29.700 -0.031 0.000 0.746 197 E HN 0.621 nan 8.360 nan 0.000 0.452 198 G N 0.877 109.666 108.800 -0.018 0.000 2.422 198 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 198 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 198 G C 1.736 176.642 174.900 0.009 0.000 1.146 198 G CA 0.640 45.730 45.100 -0.018 0.000 0.769 198 G HN 0.116 nan 8.290 nan 0.000 0.547 199 V N 0.622 120.559 119.914 0.037 0.000 2.343 199 V HA -0.162 3.958 4.120 -0.000 0.000 0.247 199 V C 2.935 179.041 176.094 0.019 0.000 1.051 199 V CA 1.957 64.281 62.300 0.040 0.000 1.036 199 V CB -0.436 31.419 31.823 0.055 0.000 0.654 199 V HN 0.320 nan 8.190 nan 0.000 0.451 200 R N -0.553 119.952 120.500 0.009 0.000 2.092 200 R HA -0.084 4.256 4.340 -0.000 0.000 0.231 200 R C 2.176 178.461 176.300 -0.024 0.000 1.119 200 R CA 1.370 57.467 56.100 -0.005 0.000 0.970 200 R CB -0.389 29.907 30.300 -0.006 0.000 0.864 200 R HN 0.424 nan 8.270 nan 0.000 0.440 201 V N 0.809 120.704 119.914 -0.031 0.000 2.379 201 V HA -0.095 4.024 4.120 -0.000 0.000 0.243 201 V C 2.015 178.075 176.094 -0.057 0.000 1.035 201 V CA 1.373 63.641 62.300 -0.054 0.000 1.035 201 V CB -0.147 31.639 31.823 -0.060 0.000 0.673 201 V HN 0.253 nan 8.190 nan 0.000 0.457 202 L N -0.086 121.114 121.223 -0.039 0.000 2.590 202 L HA 0.271 4.611 4.340 -0.000 0.000 0.227 202 L C 2.461 179.324 176.870 -0.012 0.000 1.099 202 L CA 0.790 55.609 54.840 -0.035 0.000 0.872 202 L CB -0.631 41.403 42.059 -0.041 0.000 1.088 202 L HN 0.426 nan 8.230 nan 0.000 0.479 203 G N 1.912 110.715 108.800 0.005 0.000 2.440 203 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 203 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 203 G C -0.862 174.071 174.900 0.056 0.000 1.154 203 G CA 0.701 45.819 45.100 0.031 0.000 0.767 203 G HN 0.302 nan 8.290 nan 0.000 0.552 204 P HA 0.075 nan 4.420 nan 0.000 0.230 204 P C 1.237 178.648 177.300 0.185 0.000 1.158 204 P CA 0.676 63.844 63.100 0.114 0.000 0.769 204 P CB 0.038 31.692 31.700 -0.076 0.000 0.807 205 L N -2.802 118.465 121.223 0.074 0.000 2.766 205 L HA 0.361 4.701 4.340 -0.000 0.000 0.242 205 L C 0.826 177.704 176.870 0.015 0.000 1.136 205 L CA -0.354 54.517 54.840 0.052 0.000 0.933 205 L CB 0.177 42.240 42.059 0.007 0.000 1.241 205 L HN -0.166 nan 8.230 nan 0.000 0.522 206 A N -1.052 121.773 122.820 0.009 0.000 2.380 206 A HA 0.439 4.759 4.320 -0.000 0.000 0.315 206 A C 0.012 177.583 177.584 -0.021 0.000 1.101 206 A CA -0.519 51.492 52.037 -0.043 0.000 0.771 206 A CB 1.034 19.987 19.000 -0.079 0.000 1.287 206 A HN 0.015 nan 8.150 nan 0.000 0.436 207 D N -0.622 119.730 120.400 -0.079 0.000 2.213 207 D HA 0.095 4.734 4.640 -0.000 0.000 0.205 207 D C -0.219 176.185 176.300 0.173 0.000 0.961 207 D CA 1.999 55.971 54.000 -0.045 0.000 0.853 207 D CB 0.106 40.702 40.800 -0.340 0.000 0.967 207 D HN 0.633 nan 8.370 nan 0.000 0.496 208 Y N -1.359 118.977 120.300 0.059 0.000 2.544 208 Y HA 0.583 5.132 4.550 -0.000 0.000 0.342 208 Y C -1.560 174.385 175.900 0.074 0.000 1.062 208 Y CA -1.280 56.872 58.100 0.087 0.000 1.023 208 Y CB 0.918 39.445 38.460 0.112 0.000 1.308 208 Y HN -0.348 nan 8.280 nan 0.000 0.457 209 L N 3.498 124.873 121.223 0.254 0.000 2.334 209 L HA 0.791 5.131 4.340 -0.000 0.000 0.273 209 L C -1.025 175.992 176.870 0.246 0.000 1.013 209 L CA -1.505 53.427 54.840 0.154 0.000 0.816 209 L CB 2.173 44.295 42.059 0.106 0.000 1.278 209 L HN 0.619 nan 8.230 nan 0.000 0.431 210 V N 2.924 122.951 119.914 0.189 0.000 2.409 210 V HA 0.280 4.400 4.120 -0.000 0.000 0.291 210 V C -0.085 176.085 176.094 0.126 0.000 1.020 210 V CA -0.700 61.710 62.300 0.184 0.000 0.848 210 V CB 1.943 33.894 31.823 0.214 0.000 0.990 210 V HN 0.390 nan 8.190 nan 0.000 0.430 211 V N 4.884 124.838 119.914 0.067 0.000 2.356 211 V HA 0.183 4.303 4.120 -0.000 0.000 0.258 211 V C 0.730 176.828 176.094 0.006 0.000 1.065 211 V CA -0.179 62.105 62.300 -0.027 0.000 0.935 211 V CB 0.448 32.157 31.823 -0.190 0.000 1.061 211 V HN 0.927 nan 8.190 nan 0.000 0.484 212 N N 4.325 123.114 118.700 0.148 0.000 2.482 212 N HA 0.206 4.946 4.740 -0.000 0.000 0.242 212 N C 0.423 176.076 175.510 0.238 0.000 1.100 212 N CA -0.374 52.798 53.050 0.203 0.000 0.946 212 N CB 1.060 39.712 38.487 0.275 0.000 1.227 212 N HN 0.593 nan 8.380 nan 0.000 0.508 213 V N 0.926 120.909 119.914 0.115 0.000 3.085 213 V HA 0.231 4.351 4.120 -0.000 0.000 0.345 213 V C 0.764 176.920 176.094 0.103 0.000 1.397 213 V CA -0.097 62.268 62.300 0.110 0.000 1.165 213 V CB -0.122 31.699 31.823 -0.003 0.000 1.153 213 V HN 0.550 nan 8.190 nan 0.000 0.495 214 S N -1.622 114.150 115.700 0.119 0.000 2.730 214 S HA 0.275 4.745 4.470 -0.000 0.000 0.244 214 S C 0.697 175.335 174.600 0.064 0.000 1.022 214 S CA 0.323 58.571 58.200 0.079 0.000 1.014 214 S CB 0.232 63.473 63.200 0.068 0.000 0.963 214 S HN 0.552 nan 8.310 nan 0.000 0.540 215 S N 3.892 119.634 115.700 0.070 0.000 2.533 215 S HA 0.277 4.747 4.470 -0.000 0.000 0.282 215 S C -1.488 173.066 174.600 -0.077 0.000 1.304 215 S CA -0.989 57.183 58.200 -0.046 0.000 1.063 215 S CB 0.812 63.836 63.200 -0.292 0.000 0.881 215 S HN 0.305 nan 8.310 nan 0.000 0.493 216 P HA 0.165 nan 4.420 nan 0.000 0.255 216 P C -0.176 177.076 177.300 -0.080 0.000 1.248 216 P CA 0.104 63.173 63.100 -0.052 0.000 0.807 216 P CB 0.089 31.773 31.700 -0.026 0.000 1.150 217 N N -0.309 118.302 118.700 -0.149 0.000 2.238 217 N HA 0.085 4.825 4.740 -0.000 0.000 0.222 217 N C -0.252 175.145 175.510 -0.190 0.000 1.133 217 N CA 0.313 53.271 53.050 -0.153 0.000 0.854 217 N CB 0.721 39.119 38.487 -0.148 0.000 1.041 217 N HN -0.002 nan 8.380 nan 0.000 0.510 218 T N 0.626 115.066 114.554 -0.191 0.000 2.906 218 T HA 0.429 4.779 4.350 -0.000 0.000 0.302 218 T C -0.068 174.609 174.700 -0.039 0.000 1.002 218 T CA -0.639 61.386 62.100 -0.125 0.000 0.988 218 T CB 1.876 70.647 68.868 -0.160 0.000 0.972 218 T HN 0.160 nan 8.240 nan 0.000 0.447 219 A N 2.077 124.889 122.820 -0.014 0.000 2.573 219 A HA 0.446 4.766 4.320 -0.000 0.000 0.250 219 A C 1.682 179.279 177.584 0.023 0.000 1.049 219 A CA 0.817 52.856 52.037 0.004 0.000 0.767 219 A CB -0.871 18.134 19.000 0.009 0.000 0.965 219 A HN 1.783 nan 8.150 nan 0.000 0.514 220 G N 1.353 110.166 108.800 0.022 0.000 2.189 220 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.267 220 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.267 220 G C 0.836 175.768 174.900 0.054 0.000 0.975 220 G CA 0.861 45.982 45.100 0.035 0.000 0.644 220 G HN 1.473 nan 8.290 nan 0.000 0.537 221 L N 0.513 121.773 121.223 0.062 0.000 2.046 221 L HA 0.154 4.494 4.340 -0.000 0.000 0.208 221 L C 2.754 179.676 176.870 0.087 0.000 1.077 221 L CA 2.780 57.682 54.840 0.104 0.000 0.747 221 L CB -0.464 41.666 42.059 0.119 0.000 0.896 221 L HN 0.387 nan 8.230 nan 0.000 0.432 222 R N -0.741 119.791 120.500 0.054 0.000 2.193 222 R HA -0.092 4.248 4.340 -0.000 0.000 0.229 222 R C 2.288 178.609 176.300 0.036 0.000 1.110 222 R CA 1.115 57.240 56.100 0.042 0.000 0.988 222 R CB -0.480 29.836 30.300 0.026 0.000 0.871 222 R HN 0.643 nan 8.270 nan 0.000 0.458 223 S N 0.603 116.325 115.700 0.037 0.000 2.474 223 S HA -0.037 4.433 4.470 -0.000 0.000 0.235 223 S C 1.802 176.421 174.600 0.031 0.000 0.997 223 S CA 0.638 58.856 58.200 0.030 0.000 0.949 223 S CB -0.213 63.005 63.200 0.030 0.000 0.766 223 S HN 0.269 nan 8.310 nan 0.000 0.517 224 L N 0.645 121.893 121.223 0.041 0.000 2.551 224 L HA 0.013 4.353 4.340 -0.000 0.000 0.228 224 L C 2.528 179.402 176.870 0.007 0.000 1.153 224 L CA 0.727 55.586 54.840 0.030 0.000 0.851 224 L CB -0.523 41.564 42.059 0.046 0.000 0.959 224 L HN 0.440 nan 8.230 nan 0.000 0.451 225 Q N 0.094 119.901 119.800 0.012 0.000 2.435 225 Q HA 0.060 4.400 4.340 -0.000 0.000 0.207 225 Q C 1.251 177.253 176.000 0.003 0.000 0.956 225 Q CA 0.161 55.967 55.803 0.004 0.000 0.917 225 Q CB -0.002 28.743 28.738 0.012 0.000 0.997 225 Q HN 0.481 nan 8.270 nan 0.000 0.497 226 G N 1.103 109.908 108.800 0.007 0.000 2.554 226 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.238 226 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.238 226 G C 0.385 175.286 174.900 0.002 0.000 1.259 226 G CA -0.307 44.797 45.100 0.007 0.000 0.843 226 G HN 0.118 nan 8.290 nan 0.000 0.582 227 K N 1.425 121.826 120.400 0.002 0.000 2.001 227 K HA -0.191 4.129 4.320 -0.000 0.000 0.214 227 K C 2.783 179.383 176.600 -0.000 0.000 1.050 227 K CA 1.947 58.233 56.287 -0.001 0.000 0.934 227 K CB -0.287 32.213 32.500 0.000 0.000 0.718 227 K HN 0.527 nan 8.250 nan 0.000 0.443 228 A N 1.307 124.128 122.820 0.003 0.000 1.851 228 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 228 A C 1.920 179.507 177.584 0.005 0.000 1.195 228 A CA 1.985 54.024 52.037 0.004 0.000 0.622 228 A CB -0.663 18.341 19.000 0.007 0.000 0.831 228 A HN 0.523 nan 8.150 nan 0.000 0.444 229 E N -0.783 119.421 120.200 0.008 0.000 2.110 229 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 229 E C 1.944 178.544 176.600 -0.000 0.000 0.988 229 E CA 1.148 57.554 56.400 0.010 0.000 0.804 229 E CB -0.277 29.433 29.700 0.018 0.000 0.745 229 E HN 0.482 nan 8.360 nan 0.000 0.458 230 L N 1.471 122.689 121.223 -0.008 0.000 2.056 230 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 230 L C 2.442 179.299 176.870 -0.022 0.000 1.078 230 L CA 1.658 56.483 54.840 -0.024 0.000 0.749 230 L CB -0.307 41.739 42.059 -0.022 0.000 0.901 230 L HN -0.074 nan 8.230 nan 0.000 0.433 231 R N -0.546 119.947 120.500 -0.012 0.000 2.073 231 R HA -0.218 4.122 4.340 -0.000 0.000 0.234 231 R C 2.563 178.860 176.300 -0.006 0.000 1.134 231 R CA 1.798 57.892 56.100 -0.009 0.000 0.952 231 R CB -0.290 30.008 30.300 -0.005 0.000 0.850 231 R HN 0.390 nan 8.270 nan 0.000 0.433 232 R N 0.426 120.926 120.500 -0.001 0.000 2.073 232 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 232 R C 2.380 178.683 176.300 0.006 0.000 1.134 232 R CA 1.673 57.776 56.100 0.006 0.000 0.952 232 R CB -0.488 29.820 30.300 0.012 0.000 0.850 232 R HN 0.286 nan 8.270 nan 0.000 0.433 233 L N 1.118 122.340 121.223 -0.002 0.000 1.989 233 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 233 L C 2.047 178.900 176.870 -0.028 0.000 1.071 233 L CA 1.770 56.603 54.840 -0.012 0.000 0.749 233 L CB -0.426 41.602 42.059 -0.052 0.000 0.890 233 L HN 0.278 nan 8.230 nan 0.000 0.431 234 L N -1.211 119.988 121.223 -0.040 0.000 2.201 234 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 234 L C 2.307 179.171 176.870 -0.011 0.000 1.105 234 L CA 1.313 56.132 54.840 -0.035 0.000 0.775 234 L CB -1.045 40.992 42.059 -0.037 0.000 0.913 234 L HN 0.308 nan 8.230 nan 0.000 0.440 235 T N -0.424 114.127 114.554 -0.004 0.000 2.777 235 T HA -0.216 4.134 4.350 -0.000 0.000 0.266 235 T C 1.958 176.665 174.700 0.011 0.000 1.040 235 T CA 1.389 63.491 62.100 0.003 0.000 1.141 235 T CB -0.022 68.849 68.868 0.005 0.000 0.868 235 T HN 0.250 nan 8.240 nan 0.000 0.444 236 K N 0.685 121.094 120.400 0.015 0.000 2.025 236 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 236 K C 2.227 178.846 176.600 0.031 0.000 1.049 236 K CA 0.926 57.228 56.287 0.026 0.000 0.933 236 K CB -0.293 32.229 32.500 0.036 0.000 0.714 236 K HN 0.096 nan 8.250 nan 0.000 0.438 237 V N 1.853 121.784 119.914 0.029 0.000 2.287 237 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 237 V C 2.305 178.418 176.094 0.031 0.000 1.053 237 V CA 1.706 64.028 62.300 0.037 0.000 1.027 237 V CB -0.354 31.479 31.823 0.017 0.000 0.646 237 V HN 0.340 nan 8.190 nan 0.000 0.447 238 L N -0.558 120.678 121.223 0.021 0.000 2.093 238 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 238 L C 2.623 179.506 176.870 0.022 0.000 1.085 238 L CA 1.802 56.654 54.840 0.021 0.000 0.755 238 L CB -0.591 41.476 42.059 0.013 0.000 0.904 238 L HN 0.414 nan 8.230 nan 0.000 0.435 239 Q N -0.001 119.811 119.800 0.021 0.000 2.084 239 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 239 Q C 2.097 178.111 176.000 0.023 0.000 0.978 239 Q CA 1.355 57.170 55.803 0.020 0.000 0.844 239 Q CB 0.172 28.921 28.738 0.018 0.000 0.898 239 Q HN 0.382 nan 8.270 nan 0.000 0.426 240 E N 0.447 120.664 120.200 0.028 0.000 2.077 240 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 240 E C 1.961 178.580 176.600 0.032 0.000 0.989 240 E CA 0.763 57.180 56.400 0.029 0.000 0.800 240 E CB -0.329 29.392 29.700 0.035 0.000 0.746 240 E HN 0.249 nan 8.360 nan 0.000 0.452 241 R N 1.363 121.885 120.500 0.037 0.000 2.073 241 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 241 R C 1.282 177.605 176.300 0.040 0.000 1.134 241 R CA 1.459 57.585 56.100 0.043 0.000 0.952 241 R CB -0.438 29.890 30.300 0.047 0.000 0.850 241 R HN 0.070 nan 8.270 nan 0.000 0.433 242 D N -0.622 119.798 120.400 0.032 0.000 2.263 242 D HA -0.082 4.558 4.640 -0.000 0.000 0.208 242 D C 1.485 177.801 176.300 0.027 0.000 0.971 242 D CA 1.341 55.358 54.000 0.028 0.000 0.867 242 D CB -0.380 40.433 40.800 0.021 0.000 0.929 242 D HN 0.503 nan 8.370 nan 0.000 0.492 243 G N -0.169 108.647 108.800 0.027 0.000 2.920 243 G HA2 0.071 4.031 3.960 -0.000 0.000 0.208 243 G HA3 0.071 4.031 3.960 -0.000 0.000 0.208 243 G C 0.706 175.622 174.900 0.028 0.000 1.159 243 G CA -0.149 44.965 45.100 0.023 0.000 0.784 243 G HN 0.183 nan 8.290 nan 0.000 0.535 244 L N 0.492 121.738 121.223 0.038 0.000 2.375 244 L HA 0.385 4.725 4.340 -0.000 0.000 0.271 244 L C 0.709 177.620 176.870 0.067 0.000 1.107 244 L CA -0.978 53.892 54.840 0.051 0.000 0.806 244 L CB 1.008 43.108 42.059 0.068 0.000 1.146 244 L HN 0.032 nan 8.230 nan 0.000 0.447 245 R N 1.184 121.737 120.500 0.087 0.000 2.698 245 R HA 0.005 4.345 4.340 -0.000 0.000 0.266 245 R C 1.187 177.548 176.300 0.102 0.000 1.026 245 R CA -0.024 56.136 56.100 0.100 0.000 1.102 245 R CB 0.403 30.787 30.300 0.141 0.000 0.978 245 R HN 0.514 nan 8.270 nan 0.000 0.436 246 R N 0.766 121.300 120.500 0.057 0.000 2.133 246 R HA -0.229 4.111 4.340 -0.000 0.000 0.245 246 R C 1.956 178.253 176.300 -0.005 0.000 1.137 246 R CA 2.261 58.377 56.100 0.026 0.000 0.947 246 R CB -0.711 29.595 30.300 0.010 0.000 0.865 246 R HN 0.623 nan 8.270 nan 0.000 0.437 247 V N -1.926 117.954 119.914 -0.056 0.000 3.305 247 V HA -0.083 4.037 4.120 -0.000 0.000 0.269 247 V C 0.959 176.855 176.094 -0.330 0.000 1.157 247 V CA 1.488 63.675 62.300 -0.189 0.000 1.157 247 V CB -0.461 31.204 31.823 -0.263 0.000 0.772 247 V HN 0.333 nan 8.190 nan 0.000 0.498 248 H N 0.604 119.690 119.070 0.026 0.000 2.512 248 H HA 0.428 4.984 4.556 -0.000 0.000 0.276 248 H C 0.366 175.713 175.328 0.032 0.000 1.126 248 H CA -0.255 55.808 56.048 0.025 0.000 1.060 248 H CB 0.473 30.243 29.762 0.014 0.000 1.646 248 H HN 0.430 nan 8.280 nan 0.000 0.571 249 R N 3.185 123.744 120.500 0.099 0.000 2.233 249 R HA 0.207 4.547 4.340 -0.000 0.000 0.334 249 R C -2.547 173.808 176.300 0.092 0.000 1.037 249 R CA -1.445 54.706 56.100 0.086 0.000 0.920 249 R CB 0.902 31.238 30.300 0.061 0.000 1.137 249 R HN 0.093 nan 8.270 nan 0.000 0.492 250 P HA 0.212 nan 4.420 nan 0.000 0.278 250 P C -0.945 176.436 177.300 0.137 0.000 1.258 250 P CA -0.485 62.696 63.100 0.134 0.000 0.811 250 P CB 1.373 33.142 31.700 0.115 0.000 1.063 251 A N 1.305 124.236 122.820 0.185 0.000 2.332 251 A HA 0.443 4.763 4.320 -0.000 0.000 0.258 251 A C -0.222 177.457 177.584 0.158 0.000 1.087 251 A CA -0.358 51.771 52.037 0.153 0.000 0.802 251 A CB 0.101 19.203 19.000 0.171 0.000 1.042 251 A HN 0.363 nan 8.150 nan 0.000 0.489 252 V N 2.484 122.460 119.914 0.104 0.000 2.444 252 V HA 0.454 4.574 4.120 -0.000 0.000 0.294 252 V C -0.713 175.420 176.094 0.066 0.000 1.022 252 V CA -0.219 62.138 62.300 0.095 0.000 0.850 252 V CB 1.017 32.876 31.823 0.061 0.000 0.992 252 V HN 0.726 nan 8.190 nan 0.000 0.426 253 L N 5.069 126.342 121.223 0.083 0.000 2.323 253 L HA 0.739 5.079 4.340 -0.000 0.000 0.265 253 L C -0.337 176.557 176.870 0.039 0.000 1.012 253 L CA -0.632 54.231 54.840 0.038 0.000 0.820 253 L CB 2.170 44.234 42.059 0.009 0.000 1.334 253 L HN 0.343 nan 8.230 nan 0.000 0.427 254 V N 0.987 120.910 119.914 0.015 0.000 2.495 254 V HA 0.447 4.567 4.120 -0.000 0.000 0.298 254 V C -0.283 175.827 176.094 0.026 0.000 1.031 254 V CA -0.900 61.404 62.300 0.007 0.000 0.871 254 V CB 1.706 33.520 31.823 -0.016 0.000 0.988 254 V HN 0.635 nan 8.190 nan 0.000 0.432 255 K N 5.752 126.179 120.400 0.045 0.000 2.240 255 K HA 0.648 4.968 4.320 -0.000 0.000 0.271 255 K C -0.499 176.133 176.600 0.053 0.000 1.018 255 K CA -0.477 55.847 56.287 0.062 0.000 0.874 255 K CB 0.941 33.498 32.500 0.096 0.000 1.098 255 K HN 0.779 nan 8.250 nan 0.000 0.458 256 I N 0.600 121.196 120.570 0.044 0.000 2.822 256 I HA 0.669 4.839 4.170 -0.000 0.000 0.312 256 I C -0.183 175.959 176.117 0.042 0.000 1.011 256 I CA -1.137 60.185 61.300 0.038 0.000 1.105 256 I CB 1.902 39.918 38.000 0.026 0.000 1.291 256 I HN 0.578 nan 8.210 nan 0.000 0.474 257 A N 3.758 126.599 122.820 0.036 0.000 2.287 257 A HA 0.604 4.924 4.320 -0.000 0.000 0.273 257 A C -1.865 175.737 177.584 0.029 0.000 1.091 257 A CA -1.406 50.651 52.037 0.033 0.000 0.817 257 A CB -0.224 18.792 19.000 0.027 0.000 1.069 257 A HN 0.768 nan 8.150 nan 0.000 0.492 258 P HA 0.095 nan 4.420 nan 0.000 0.261 258 P C -0.399 176.912 177.300 0.019 0.000 1.268 258 P CA 0.487 63.601 63.100 0.024 0.000 0.833 258 P CB 0.397 32.112 31.700 0.024 0.000 1.231 259 D N 0.269 120.680 120.400 0.017 0.000 2.525 259 D HA 0.184 4.824 4.640 -0.000 0.000 0.229 259 D C 0.637 176.944 176.300 0.013 0.000 1.202 259 D CA -0.037 53.971 54.000 0.013 0.000 0.828 259 D CB 0.482 41.288 40.800 0.010 0.000 1.008 259 D HN 0.242 nan 8.370 nan 0.000 0.493 260 L N 1.118 122.350 121.223 0.015 0.000 2.395 260 L HA 0.196 4.536 4.340 -0.000 0.000 0.269 260 L C 1.438 178.315 176.870 0.013 0.000 1.133 260 L CA -0.421 54.427 54.840 0.014 0.000 0.812 260 L CB 0.821 42.889 42.059 0.016 0.000 1.125 260 L HN -0.035 nan 8.230 nan 0.000 0.452 261 T N -1.656 112.905 114.554 0.011 0.000 2.788 261 T HA 0.104 4.454 4.350 -0.000 0.000 0.287 261 T C 1.163 175.870 174.700 0.011 0.000 1.007 261 T CA -0.607 61.499 62.100 0.010 0.000 1.005 261 T CB 1.149 70.022 68.868 0.008 0.000 1.012 261 T HN 0.555 nan 8.240 nan 0.000 0.530 262 S N 0.207 115.913 115.700 0.011 0.000 2.399 262 S HA -0.152 4.318 4.470 -0.000 0.000 0.231 262 S C 2.059 176.665 174.600 0.011 0.000 1.022 262 S CA 1.370 59.578 58.200 0.012 0.000 0.983 262 S CB -0.558 62.650 63.200 0.012 0.000 0.803 262 S HN 0.850 nan 8.310 nan 0.000 0.480 263 Q N 1.771 121.576 119.800 0.009 0.000 2.079 263 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 263 Q C 1.330 177.334 176.000 0.007 0.000 0.974 263 Q CA 1.692 57.499 55.803 0.007 0.000 0.840 263 Q CB -0.389 28.353 28.738 0.006 0.000 0.898 263 Q HN 0.349 nan 8.270 nan 0.000 0.430 264 D N 0.101 120.506 120.400 0.008 0.000 2.117 264 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 264 D C 1.658 177.963 176.300 0.008 0.000 0.987 264 D CA 1.367 55.372 54.000 0.008 0.000 0.829 264 D CB -0.055 40.751 40.800 0.010 0.000 0.961 264 D HN 0.360 nan 8.370 nan 0.000 0.460 265 K N 0.678 121.084 120.400 0.010 0.000 2.057 265 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 265 K C 2.141 178.745 176.600 0.007 0.000 1.049 265 K CA 0.885 57.178 56.287 0.011 0.000 0.931 265 K CB -0.026 32.484 32.500 0.017 0.000 0.714 265 K HN 0.216 nan 8.250 nan 0.000 0.440 266 E N 0.888 121.092 120.200 0.006 0.000 2.077 266 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 266 E C 1.597 178.196 176.600 -0.001 0.000 0.989 266 E CA 1.284 57.686 56.400 0.003 0.000 0.800 266 E CB -0.033 29.669 29.700 0.003 0.000 0.746 266 E HN 0.273 nan 8.360 nan 0.000 0.452 267 D N 0.619 121.019 120.400 0.000 0.000 2.117 267 D HA -0.110 4.530 4.640 -0.000 0.000 0.198 267 D C 2.002 178.300 176.300 -0.005 0.000 0.982 267 D CA 0.797 54.796 54.000 -0.002 0.000 0.828 267 D CB -0.173 40.627 40.800 -0.000 0.000 0.967 267 D HN 0.178 nan 8.370 nan 0.000 0.464 268 I N 1.160 121.728 120.570 -0.003 0.000 2.226 268 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 268 I C 2.459 178.570 176.117 -0.010 0.000 1.100 268 I CA 1.018 62.314 61.300 -0.006 0.000 1.374 268 I CB -0.208 37.791 38.000 -0.002 0.000 1.057 268 I HN -0.076 nan 8.210 nan 0.000 0.413 269 A N -0.231 122.583 122.820 -0.010 0.000 1.902 269 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 269 A C 2.491 180.063 177.584 -0.021 0.000 1.181 269 A CA 2.274 54.300 52.037 -0.018 0.000 0.623 269 A CB -0.824 18.165 19.000 -0.018 0.000 0.818 269 A HN 0.415 nan 8.150 nan 0.000 0.443 270 S N -0.651 115.040 115.700 -0.016 0.000 2.356 270 S HA -0.132 4.338 4.470 -0.000 0.000 0.223 270 S C 1.922 176.512 174.600 -0.015 0.000 1.032 270 S CA 1.717 59.907 58.200 -0.015 0.000 1.005 270 S CB -0.523 62.670 63.200 -0.011 0.000 0.867 270 S HN 0.305 nan 8.310 nan 0.000 0.449 271 V N 1.516 121.422 119.914 -0.014 0.000 2.343 271 V HA -0.112 4.008 4.120 -0.000 0.000 0.247 271 V C 2.518 178.602 176.094 -0.017 0.000 1.051 271 V CA 1.719 64.011 62.300 -0.014 0.000 1.036 271 V CB -0.752 31.063 31.823 -0.013 0.000 0.654 271 V HN 0.421 nan 8.190 nan 0.000 0.451 272 V N -0.078 119.824 119.914 -0.019 0.000 2.332 272 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 272 V C 2.427 178.507 176.094 -0.024 0.000 1.055 272 V CA 2.293 64.580 62.300 -0.022 0.000 1.038 272 V CB -0.667 31.141 31.823 -0.025 0.000 0.651 272 V HN 0.560 nan 8.190 nan 0.000 0.450 273 K N -0.379 120.005 120.400 -0.027 0.000 2.103 273 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 273 K C 2.219 178.806 176.600 -0.022 0.000 1.052 273 K CA 1.306 57.576 56.287 -0.029 0.000 0.945 273 K CB -0.153 32.327 32.500 -0.034 0.000 0.722 273 K HN 0.533 nan 8.250 nan 0.000 0.443 274 E N 1.124 121.313 120.200 -0.018 0.000 2.072 274 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 274 E C 1.640 178.233 176.600 -0.012 0.000 0.985 274 E CA 0.980 57.371 56.400 -0.014 0.000 0.801 274 E CB 0.136 29.829 29.700 -0.012 0.000 0.750 274 E HN 0.246 nan 8.360 nan 0.000 0.452 275 L N -0.870 120.346 121.223 -0.012 0.000 2.529 275 L HA 0.226 4.566 4.340 -0.000 0.000 0.223 275 L C 1.344 178.209 176.870 -0.009 0.000 1.113 275 L CA 0.406 55.240 54.840 -0.009 0.000 0.861 275 L CB 0.285 42.339 42.059 -0.009 0.000 1.012 275 L HN 0.387 nan 8.230 nan 0.000 0.461 276 G N 1.115 109.907 108.800 -0.013 0.000 2.171 276 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.238 276 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.238 276 G C 0.240 175.134 174.900 -0.010 0.000 1.039 276 G CA -0.505 44.588 45.100 -0.013 0.000 0.759 276 G HN 0.119 nan 8.290 nan 0.000 0.501 277 I N 1.138 121.700 120.570 -0.012 0.000 2.775 277 I HA 0.006 4.176 4.170 -0.000 0.000 0.290 277 I C 1.384 177.494 176.117 -0.012 0.000 1.203 277 I CA 0.296 61.591 61.300 -0.009 0.000 1.433 277 I CB 0.429 38.421 38.000 -0.014 0.000 1.354 277 I HN 0.180 nan 8.210 nan 0.000 0.579 278 D N 4.532 124.931 120.400 -0.003 0.000 2.219 278 D HA 0.035 4.675 4.640 -0.000 0.000 0.205 278 D C 0.985 177.268 176.300 -0.028 0.000 0.970 278 D CA 0.860 54.856 54.000 -0.007 0.000 0.851 278 D CB 0.576 41.385 40.800 0.015 0.000 0.943 278 D HN 0.770 nan 8.370 nan 0.000 0.488 279 G N -0.713 108.068 108.800 -0.031 0.000 2.441 279 G HA2 0.511 4.471 3.960 -0.000 0.000 0.294 279 G HA3 0.511 4.471 3.960 -0.000 0.000 0.294 279 G C -1.962 172.914 174.900 -0.040 0.000 1.393 279 G CA -0.798 44.271 45.100 -0.052 0.000 0.796 279 G HN 0.033 nan 8.290 nan 0.000 0.494 280 L N -0.065 121.132 121.223 -0.042 0.000 2.388 280 L HA 0.640 4.980 4.340 -0.000 0.000 0.264 280 L C -0.554 176.306 176.870 -0.018 0.000 0.998 280 L CA -0.890 53.938 54.840 -0.019 0.000 0.817 280 L CB 2.532 44.588 42.059 -0.006 0.000 1.338 280 L HN 0.365 nan 8.230 nan 0.000 0.414 281 I N 2.862 123.438 120.570 0.010 0.000 2.362 281 I HA 0.437 4.607 4.170 -0.000 0.000 0.289 281 I C -0.945 175.196 176.117 0.040 0.000 0.994 281 I CA -0.738 60.580 61.300 0.029 0.000 1.158 281 I CB 1.900 39.939 38.000 0.066 0.000 1.315 281 I HN 0.178 nan 8.210 nan 0.000 0.451 282 V N 5.043 124.981 119.914 0.039 0.000 2.447 282 V HA 0.511 4.631 4.120 -0.000 0.000 0.292 282 V C 0.074 176.195 176.094 0.045 0.000 1.021 282 V CA -0.416 61.908 62.300 0.041 0.000 0.850 282 V CB 1.607 33.452 31.823 0.036 0.000 1.005 282 V HN 0.904 nan 8.190 nan 0.000 0.426 283 T N 0.536 115.120 114.554 0.050 0.000 2.804 283 T HA 0.538 4.888 4.350 -0.000 0.000 0.290 283 T C -0.271 174.465 174.700 0.060 0.000 1.099 283 T CA -0.730 61.401 62.100 0.050 0.000 1.011 283 T CB 2.252 71.145 68.868 0.042 0.000 1.291 283 T HN 0.398 nan 8.240 nan 0.000 0.523 284 N N 0.241 118.976 118.700 0.059 0.000 2.443 284 N HA 0.359 5.099 4.740 -0.000 0.000 0.294 284 N C 0.200 175.740 175.510 0.050 0.000 1.289 284 N CA 0.115 53.204 53.050 0.066 0.000 0.966 284 N CB 1.187 39.715 38.487 0.068 0.000 1.122 284 N HN 0.971 nan 8.380 nan 0.000 0.569 285 T N -2.306 112.275 114.554 0.044 0.000 2.813 285 T HA 0.184 4.534 4.350 -0.000 0.000 0.297 285 T C 0.463 175.175 174.700 0.021 0.000 1.036 285 T CA -0.442 61.675 62.100 0.028 0.000 1.044 285 T CB 0.690 69.570 68.868 0.020 0.000 0.993 285 T HN 0.380 nan 8.240 nan 0.000 0.535 286 T N 0.037 114.600 114.554 0.015 0.000 2.859 286 T HA 0.408 4.758 4.350 -0.000 0.000 0.281 286 T C 1.117 175.819 174.700 0.003 0.000 1.005 286 T CA -0.439 61.667 62.100 0.010 0.000 1.025 286 T CB 0.831 69.705 68.868 0.010 0.000 0.977 286 T HN 0.794 nan 8.240 nan 0.000 0.458 287 V N 2.291 122.206 119.914 0.000 0.000 3.649 287 V HA 0.287 4.407 4.120 -0.000 0.000 0.275 287 V C 1.087 177.176 176.094 -0.008 0.000 1.281 287 V CA 0.306 62.602 62.300 -0.006 0.000 1.143 287 V CB -1.149 30.669 31.823 -0.007 0.000 0.892 287 V HN 0.812 nan 8.190 nan 0.000 0.441 288 S N 1.338 117.035 115.700 -0.004 0.000 2.632 288 S HA 0.557 5.027 4.470 -0.000 0.000 0.267 288 S C 0.132 174.726 174.600 -0.009 0.000 1.276 288 S CA -0.673 57.523 58.200 -0.006 0.000 0.998 288 S CB 1.133 64.332 63.200 -0.002 0.000 0.953 288 S HN 0.470 nan 8.310 nan 0.000 0.547 289 R N 1.701 122.194 120.500 -0.011 0.000 2.513 289 R HA 0.391 4.731 4.340 -0.000 0.000 0.283 289 R C -2.965 173.328 176.300 -0.012 0.000 1.535 289 R CA -1.698 54.393 56.100 -0.014 0.000 1.315 289 R CB 0.393 30.680 30.300 -0.022 0.000 1.163 289 R HN 0.577 nan 8.270 nan 0.000 0.573 290 P HA -0.043 nan 4.420 nan 0.000 0.263 290 P C -0.212 177.082 177.300 -0.010 0.000 1.175 290 P CA 0.215 63.310 63.100 -0.008 0.000 0.761 290 P CB 0.588 32.284 31.700 -0.006 0.000 0.794 291 A N 2.776 125.590 122.820 -0.010 0.000 2.531 291 A HA 0.434 4.754 4.320 -0.000 0.000 0.236 291 A C 1.536 179.113 177.584 -0.011 0.000 1.062 291 A CA 0.755 52.786 52.037 -0.011 0.000 0.760 291 A CB -0.834 18.160 19.000 -0.009 0.000 0.995 291 A HN 0.907 nan 8.150 nan 0.000 0.501 292 G N 0.649 109.441 108.800 -0.013 0.000 2.238 292 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 292 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 292 G C 0.215 175.106 174.900 -0.015 0.000 0.996 292 G CA -0.033 45.060 45.100 -0.013 0.000 0.632 292 G HN 0.835 nan 8.290 nan 0.000 0.503 293 L N 1.055 122.269 121.223 -0.016 0.000 2.540 293 L HA 0.156 4.496 4.340 -0.000 0.000 0.276 293 L C 1.632 178.491 176.870 -0.018 0.000 1.212 293 L CA 0.222 55.051 54.840 -0.017 0.000 0.893 293 L CB 0.685 42.733 42.059 -0.018 0.000 1.138 293 L HN 0.168 nan 8.230 nan 0.000 0.491 294 Q N 2.342 122.131 119.800 -0.018 0.000 2.378 294 Q HA 0.143 4.483 4.340 -0.000 0.000 0.229 294 Q C 0.937 176.928 176.000 -0.015 0.000 0.882 294 Q CA 0.235 56.028 55.803 -0.016 0.000 0.936 294 Q CB 0.490 29.219 28.738 -0.016 0.000 1.092 294 Q HN 0.820 nan 8.270 nan 0.000 0.535 295 G N 0.792 109.585 108.800 -0.012 0.000 2.287 295 G HA2 0.151 4.111 3.960 -0.000 0.000 0.235 295 G HA3 0.151 4.111 3.960 -0.000 0.000 0.235 295 G C 0.977 175.866 174.900 -0.018 0.000 1.258 295 G CA 0.518 45.614 45.100 -0.006 0.000 0.884 295 G HN 0.251 nan 8.290 nan 0.000 0.518 296 A N 2.267 125.077 122.820 -0.015 0.000 2.019 296 A HA 0.006 4.326 4.320 -0.000 0.000 0.219 296 A C 2.016 179.567 177.584 -0.056 0.000 1.164 296 A CA 0.854 52.874 52.037 -0.029 0.000 0.644 296 A CB -0.126 18.863 19.000 -0.019 0.000 0.805 296 A HN 0.623 nan 8.150 nan 0.000 0.449 297 L N -0.057 121.130 121.223 -0.061 0.000 2.685 297 L HA 0.083 4.423 4.340 -0.000 0.000 0.233 297 L C 2.155 178.941 176.870 -0.140 0.000 1.173 297 L CA 0.168 54.928 54.840 -0.134 0.000 0.961 297 L CB -0.305 41.678 42.059 -0.126 0.000 1.217 297 L HN 0.531 nan 8.230 nan 0.000 0.478 298 R N -0.795 119.654 120.500 -0.085 0.000 2.159 298 R HA -0.092 4.248 4.340 -0.000 0.000 0.237 298 R C 1.312 177.559 176.300 -0.088 0.000 1.131 298 R CA 1.461 57.520 56.100 -0.069 0.000 0.982 298 R CB -0.478 29.795 30.300 -0.045 0.000 0.868 298 R HN 0.113 nan 8.270 nan 0.000 0.453 299 S N 0.524 116.156 115.700 -0.112 0.000 2.597 299 S HA 0.108 4.578 4.470 -0.000 0.000 0.224 299 S C -0.333 174.173 174.600 -0.156 0.000 0.955 299 S CA -0.312 57.821 58.200 -0.111 0.000 0.933 299 S CB 0.146 63.292 63.200 -0.090 0.000 0.788 299 S HN 0.274 nan 8.310 nan 0.000 0.488 300 E N 2.370 122.426 120.200 -0.240 0.000 2.398 300 E HA 0.107 4.457 4.350 -0.000 0.000 0.263 300 E C 0.102 176.593 176.600 -0.182 0.000 1.046 300 E CA 0.278 56.473 56.400 -0.342 0.000 0.908 300 E CB 0.557 29.809 29.700 -0.747 0.000 0.963 300 E HN 0.058 nan 8.360 nan 0.000 0.431 301 T N 1.268 115.745 114.554 -0.129 0.000 2.919 301 T HA 0.497 4.847 4.350 -0.000 0.000 0.302 301 T C 0.339 175.031 174.700 -0.015 0.000 1.031 301 T CA 0.526 62.592 62.100 -0.057 0.000 1.127 301 T CB 0.775 69.621 68.868 -0.038 0.000 0.952 301 T HN 0.659 nan 8.240 nan 0.000 0.540 302 G N 0.987 109.781 108.800 -0.010 0.000 2.369 302 G HA2 0.407 4.367 3.960 -0.000 0.000 0.295 302 G HA3 0.407 4.367 3.960 -0.000 0.000 0.295 302 G C -0.473 174.428 174.900 0.002 0.000 1.298 302 G CA -0.531 44.574 45.100 0.008 0.000 0.940 302 G HN 0.871 nan 8.290 nan 0.000 0.536 303 G N -0.828 107.976 108.800 0.006 0.000 2.338 303 G HA2 0.672 4.632 3.960 -0.000 0.000 0.298 303 G HA3 0.672 4.632 3.960 -0.000 0.000 0.298 303 G C -0.423 174.482 174.900 0.008 0.000 1.140 303 G CA -0.221 44.882 45.100 0.005 0.000 0.860 303 G HN 1.261 nan 8.290 nan 0.000 0.470 304 L N 3.174 124.400 121.223 0.006 0.000 2.292 304 L HA 0.694 5.034 4.340 -0.000 0.000 0.284 304 L C 0.543 177.417 176.870 0.006 0.000 1.065 304 L CA -0.140 54.704 54.840 0.007 0.000 0.806 304 L CB 1.400 43.462 42.059 0.005 0.000 1.175 304 L HN 0.610 nan 8.230 nan 0.000 0.431 305 S N 2.873 118.575 115.700 0.003 0.000 2.745 305 S HA 1.039 5.509 4.470 -0.000 0.000 0.306 305 S C 0.019 174.632 174.600 0.021 0.000 1.137 305 S CA -0.205 57.996 58.200 0.002 0.000 0.900 305 S CB 1.284 64.460 63.200 -0.040 0.000 1.176 305 S HN 1.757 nan 8.310 nan 0.000 0.520 306 G N 1.130 109.949 108.800 0.032 0.000 2.548 306 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.208 306 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.208 306 G C 0.322 175.241 174.900 0.032 0.000 1.308 306 G CA 0.147 45.277 45.100 0.050 0.000 0.924 306 G HN 0.909 nan 8.290 nan 0.000 0.540 307 K N 0.781 121.190 120.400 0.015 0.000 2.044 307 K HA -0.111 4.209 4.320 -0.000 0.000 0.210 307 K C -0.148 176.456 176.600 0.006 0.000 1.049 307 K CA 2.289 58.582 56.287 0.010 0.000 0.927 307 K CB -0.863 31.631 32.500 -0.010 0.000 0.713 307 K HN 0.305 nan 8.250 nan 0.000 0.443 308 P HA -0.140 nan 4.420 nan 0.000 0.221 308 P C 0.954 178.258 177.300 0.007 0.000 1.145 308 P CA 0.829 63.929 63.100 0.000 0.000 0.795 308 P CB 0.111 31.809 31.700 -0.003 0.000 0.775 309 L N -1.350 119.881 121.223 0.013 0.000 2.477 309 L HA 0.220 4.560 4.340 -0.000 0.000 0.220 309 L C 2.300 179.183 176.870 0.021 0.000 1.106 309 L CA 0.900 55.750 54.840 0.017 0.000 0.851 309 L CB -0.647 41.425 42.059 0.022 0.000 0.994 309 L HN -0.295 nan 8.230 nan 0.000 0.462 310 R N 0.104 120.617 120.500 0.022 0.000 2.143 310 R HA -0.254 4.086 4.340 -0.000 0.000 0.239 310 R C 1.579 177.891 176.300 0.019 0.000 1.126 310 R CA 2.641 58.755 56.100 0.024 0.000 0.927 310 R CB -0.427 29.888 30.300 0.025 0.000 0.860 310 R HN 0.383 nan 8.270 nan 0.000 0.433 311 D N 0.094 120.502 120.400 0.013 0.000 2.224 311 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 311 D C 1.707 178.013 176.300 0.011 0.000 0.965 311 D CA 0.559 54.564 54.000 0.009 0.000 0.852 311 D CB -0.165 40.638 40.800 0.005 0.000 0.947 311 D HN 0.176 nan 8.370 nan 0.000 0.494 312 L N 0.425 121.656 121.223 0.013 0.000 2.046 312 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 312 L C 1.989 178.870 176.870 0.019 0.000 1.077 312 L CA 1.608 56.457 54.840 0.014 0.000 0.747 312 L CB -0.563 41.504 42.059 0.014 0.000 0.896 312 L HN -0.144 nan 8.230 nan 0.000 0.432 313 S N -1.194 114.519 115.700 0.022 0.000 2.368 313 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 313 S C 1.780 176.396 174.600 0.026 0.000 1.029 313 S CA 1.576 59.793 58.200 0.027 0.000 0.988 313 S CB -0.474 62.745 63.200 0.032 0.000 0.838 313 S HN 0.580 nan 8.310 nan 0.000 0.462 314 T N 2.446 117.011 114.554 0.020 0.000 2.720 314 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 314 T C 1.908 176.620 174.700 0.019 0.000 1.037 314 T CA 1.073 63.181 62.100 0.014 0.000 1.144 314 T CB -0.274 68.597 68.868 0.005 0.000 0.864 314 T HN 0.304 nan 8.240 nan 0.000 0.444 315 Q N 0.534 120.345 119.800 0.018 0.000 2.167 315 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 315 Q C 2.548 178.571 176.000 0.038 0.000 0.970 315 Q CA 1.245 57.061 55.803 0.023 0.000 0.855 315 Q CB -0.709 28.039 28.738 0.016 0.000 0.911 315 Q HN 0.514 nan 8.270 nan 0.000 0.438 316 T N 1.436 116.012 114.554 0.037 0.000 2.821 316 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 316 T C 2.033 176.768 174.700 0.058 0.000 1.046 316 T CA 0.652 62.777 62.100 0.043 0.000 1.139 316 T CB -0.100 68.789 68.868 0.036 0.000 0.871 316 T HN 0.177 nan 8.240 nan 0.000 0.454 317 I N 0.658 121.262 120.570 0.056 0.000 2.179 317 I HA -0.165 4.005 4.170 -0.000 0.000 0.242 317 I C 2.850 179.040 176.117 0.121 0.000 1.088 317 I CA 1.217 62.559 61.300 0.069 0.000 1.357 317 I CB -0.311 37.712 38.000 0.039 0.000 1.051 317 I HN 0.110 nan 8.210 nan 0.000 0.409 318 R N 0.804 121.377 120.500 0.122 0.000 2.083 318 R HA -0.250 4.090 4.340 -0.000 0.000 0.237 318 R C 2.281 178.743 176.300 0.271 0.000 1.137 318 R CA 2.048 58.279 56.100 0.218 0.000 0.951 318 R CB -0.194 30.159 30.300 0.089 0.000 0.851 318 R HN 0.370 nan 8.270 nan 0.000 0.434 319 E N -0.420 119.872 120.200 0.155 0.000 2.051 319 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 319 E C 1.937 178.605 176.600 0.112 0.000 0.991 319 E CA 1.289 57.765 56.400 0.126 0.000 0.799 319 E CB 0.097 29.841 29.700 0.074 0.000 0.748 319 E HN 0.223 nan 8.360 nan 0.000 0.449 320 M N -0.245 119.414 119.600 0.097 0.000 2.159 320 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 320 M C 2.118 178.454 176.300 0.060 0.000 1.063 320 M CA 1.272 56.611 55.300 0.063 0.000 1.110 320 M CB -1.173 31.459 32.600 0.053 0.000 1.374 320 M HN 0.244 nan 8.290 nan 0.000 0.411 321 Y N 1.177 121.454 120.300 -0.039 0.000 2.145 321 Y HA -0.171 4.379 4.550 -0.000 0.000 0.286 321 Y C 2.420 178.220 175.900 -0.167 0.000 1.145 321 Y CA 2.112 60.131 58.100 -0.135 0.000 1.148 321 Y CB -0.350 37.975 38.460 -0.225 0.000 0.981 321 Y HN 0.202 nan 8.280 nan 0.000 0.507 322 A N 0.126 122.959 122.820 0.022 0.000 1.877 322 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 322 A C 2.243 179.793 177.584 -0.056 0.000 1.186 322 A CA 1.773 53.807 52.037 -0.005 0.000 0.620 322 A CB -1.175 17.930 19.000 0.175 0.000 0.822 322 A HN 0.536 nan 8.150 nan 0.000 0.443 323 L N 0.046 121.255 121.223 -0.023 0.000 2.265 323 L HA -0.114 4.226 4.340 -0.000 0.000 0.215 323 L C 2.214 179.041 176.870 -0.073 0.000 1.117 323 L CA 1.584 56.405 54.840 -0.032 0.000 0.782 323 L CB -0.473 41.581 42.059 -0.008 0.000 0.914 323 L HN 0.641 nan 8.230 nan 0.000 0.441 324 T N -5.321 109.158 114.554 -0.125 0.000 3.145 324 T HA 0.166 4.516 4.350 -0.000 0.000 0.255 324 T C 0.646 175.209 174.700 -0.229 0.000 1.039 324 T CA -0.362 61.647 62.100 -0.152 0.000 0.928 324 T CB 0.436 69.220 68.868 -0.140 0.000 1.029 324 T HN 0.126 nan 8.240 nan 0.000 0.554 325 Q N 0.480 120.124 119.800 -0.260 0.000 2.480 325 Q HA -0.154 4.186 4.340 -0.000 0.000 0.265 325 Q C 1.286 177.007 176.000 -0.465 0.000 1.072 325 Q CA 1.171 56.802 55.803 -0.288 0.000 1.018 325 Q CB -2.321 26.317 28.738 -0.167 0.000 1.433 325 Q HN 1.146 nan 8.270 nan 0.000 0.513 326 G N -0.939 107.346 108.800 -0.859 0.000 2.168 326 G HA2 -0.419 3.540 3.960 -0.000 0.000 0.257 326 G HA3 -0.419 3.540 3.960 -0.000 0.000 0.257 326 G C 0.672 175.300 174.900 -0.453 0.000 0.997 326 G CA 0.714 45.099 45.100 -1.192 0.000 0.708 326 G HN 0.485 nan 8.290 nan 0.000 0.520 327 R N -1.106 119.211 120.500 -0.306 0.000 2.334 327 R HA 0.330 4.670 4.340 -0.000 0.000 0.216 327 R C 0.273 176.502 176.300 -0.119 0.000 0.905 327 R CA 0.322 56.325 56.100 -0.163 0.000 1.064 327 R CB 0.922 31.145 30.300 -0.127 0.000 1.046 327 R HN 0.311 nan 8.270 nan 0.000 0.508 328 V N 2.955 122.790 119.914 -0.132 0.000 2.378 328 V HA 0.267 4.387 4.120 -0.000 0.000 0.288 328 V C -2.312 173.750 176.094 -0.053 0.000 1.016 328 V CA -2.421 59.831 62.300 -0.081 0.000 0.840 328 V CB 1.705 33.483 31.823 -0.074 0.000 0.994 328 V HN -0.054 nan 8.190 nan 0.000 0.431 329 P HA 0.193 nan 4.420 nan 0.000 0.264 329 P C -0.645 176.621 177.300 -0.058 0.000 1.183 329 P CA 0.480 63.545 63.100 -0.057 0.000 0.763 329 P CB 0.430 32.074 31.700 -0.093 0.000 0.807 330 I N 3.790 124.334 120.570 -0.043 0.000 2.498 330 I HA 0.362 4.532 4.170 -0.000 0.000 0.290 330 I C -0.013 176.060 176.117 -0.073 0.000 1.032 330 I CA -0.733 60.546 61.300 -0.035 0.000 1.073 330 I CB 1.739 39.756 38.000 0.028 0.000 1.251 330 I HN 0.122 nan 8.210 nan 0.000 0.426 331 I N 5.158 125.686 120.570 -0.069 0.000 2.307 331 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 331 I C 0.700 176.827 176.117 0.017 0.000 1.021 331 I CA -0.318 60.956 61.300 -0.043 0.000 1.224 331 I CB 1.338 39.319 38.000 -0.032 0.000 1.376 331 I HN 0.621 nan 8.210 nan 0.000 0.470 332 G N 6.096 114.910 108.800 0.024 0.000 2.339 332 G HA2 0.554 4.514 3.960 -0.000 0.000 0.287 332 G HA3 0.554 4.514 3.960 -0.000 0.000 0.287 332 G C -0.629 174.305 174.900 0.056 0.000 1.163 332 G CA -0.163 44.957 45.100 0.033 0.000 0.872 332 G HN 0.381 nan 8.290 nan 0.000 0.464 333 V N 0.852 120.800 119.914 0.057 0.000 2.888 333 V HA 0.945 5.065 4.120 -0.000 0.000 0.309 333 V C 0.272 176.402 176.094 0.060 0.000 1.114 333 V CA -0.050 62.290 62.300 0.067 0.000 0.940 333 V CB 1.622 33.492 31.823 0.078 0.000 1.021 333 V HN 1.688 nan 8.190 nan 0.000 0.426 334 G N 1.737 110.575 108.800 0.064 0.000 2.897 334 G HA2 0.531 4.491 3.960 -0.000 0.000 0.392 334 G HA3 0.531 4.491 3.960 -0.000 0.000 0.392 334 G C 0.464 175.396 174.900 0.053 0.000 1.263 334 G CA -0.100 45.033 45.100 0.055 0.000 1.185 334 G HN 2.148 nan 8.290 nan 0.000 0.573 335 G N -0.548 108.288 108.800 0.060 0.000 2.198 335 G HA2 0.018 3.978 3.960 -0.000 0.000 0.260 335 G HA3 0.018 3.978 3.960 -0.000 0.000 0.260 335 G C 0.531 175.475 174.900 0.074 0.000 1.025 335 G CA 0.619 45.757 45.100 0.063 0.000 0.769 335 G HN 1.772 nan 8.290 nan 0.000 0.507 336 V N 1.117 121.082 119.914 0.084 0.000 2.432 336 V HA 0.563 4.683 4.120 -0.000 0.000 0.271 336 V C 1.154 177.320 176.094 0.120 0.000 1.046 336 V CA 0.850 63.201 62.300 0.085 0.000 0.945 336 V CB 1.447 33.316 31.823 0.077 0.000 0.992 336 V HN 0.991 nan 8.190 nan 0.000 0.471 337 S N 1.667 117.439 115.700 0.121 0.000 2.820 337 S HA 0.284 4.754 4.470 -0.000 0.000 0.265 337 S C 0.231 174.885 174.600 0.090 0.000 1.043 337 S CA 0.218 58.525 58.200 0.179 0.000 1.245 337 S CB 0.444 63.832 63.200 0.312 0.000 1.187 337 S HN 0.907 nan 8.310 nan 0.000 0.673 338 S N -0.812 114.911 115.700 0.039 0.000 2.625 338 S HA 0.736 5.206 4.470 -0.000 0.000 0.271 338 S C 1.073 175.662 174.600 -0.018 0.000 1.161 338 S CA -0.215 57.977 58.200 -0.012 0.000 0.820 338 S CB 0.669 63.853 63.200 -0.025 0.000 1.137 338 S HN 0.347 nan 8.310 nan 0.000 0.470 339 G N 0.258 109.033 108.800 -0.041 0.000 2.422 339 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 339 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 339 G C 1.141 176.029 174.900 -0.019 0.000 1.146 339 G CA 1.166 46.243 45.100 -0.038 0.000 0.769 339 G HN 0.842 nan 8.290 nan 0.000 0.547 340 Q N 0.193 119.985 119.800 -0.015 0.000 2.084 340 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 340 Q C 1.948 177.946 176.000 -0.003 0.000 0.978 340 Q CA 1.680 57.479 55.803 -0.006 0.000 0.844 340 Q CB -0.124 28.611 28.738 -0.006 0.000 0.898 340 Q HN 0.362 nan 8.270 nan 0.000 0.426 341 D N 0.392 120.793 120.400 0.002 0.000 2.123 341 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 341 D C 1.747 178.051 176.300 0.007 0.000 0.992 341 D CA 1.446 55.453 54.000 0.011 0.000 0.833 341 D CB -0.331 40.485 40.800 0.028 0.000 0.954 341 D HN 0.423 nan 8.370 nan 0.000 0.455 342 A N 0.849 123.672 122.820 0.004 0.000 1.877 342 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 342 A C 2.173 179.743 177.584 -0.023 0.000 1.186 342 A CA 1.054 53.091 52.037 0.000 0.000 0.620 342 A CB -0.787 18.214 19.000 0.002 0.000 0.822 342 A HN 0.228 nan 8.150 nan 0.000 0.443 343 L N 0.237 121.443 121.223 -0.029 0.000 2.083 343 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 343 L C 2.161 178.998 176.870 -0.055 0.000 1.083 343 L CA 2.229 57.037 54.840 -0.053 0.000 0.752 343 L CB -0.679 41.362 42.059 -0.030 0.000 0.899 343 L HN 0.522 nan 8.230 nan 0.000 0.433 344 E N -0.610 119.572 120.200 -0.030 0.000 2.110 344 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 344 E C 2.117 178.692 176.600 -0.042 0.000 0.988 344 E CA 1.334 57.717 56.400 -0.029 0.000 0.804 344 E CB -0.069 29.623 29.700 -0.014 0.000 0.745 344 E HN 0.521 nan 8.360 nan 0.000 0.458 345 K N 0.384 120.762 120.400 -0.036 0.000 2.103 345 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 345 K C 2.152 178.706 176.600 -0.077 0.000 1.052 345 K CA 0.737 57.001 56.287 -0.039 0.000 0.945 345 K CB -0.004 32.487 32.500 -0.014 0.000 0.722 345 K HN 0.097 nan 8.250 nan 0.000 0.443 346 I N 0.874 121.388 120.570 -0.094 0.000 2.179 346 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 346 I C 2.282 178.285 176.117 -0.190 0.000 1.088 346 I CA 1.301 62.516 61.300 -0.143 0.000 1.357 346 I CB -0.187 37.721 38.000 -0.154 0.000 1.051 346 I HN 0.110 nan 8.210 nan 0.000 0.409 347 R N 0.692 121.091 120.500 -0.168 0.000 2.152 347 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 347 R C 2.247 178.471 176.300 -0.128 0.000 1.117 347 R CA 1.286 57.296 56.100 -0.150 0.000 0.981 347 R CB -0.375 29.875 30.300 -0.082 0.000 0.870 347 R HN 0.363 nan 8.270 nan 0.000 0.451 348 A N -0.192 122.558 122.820 -0.116 0.000 2.119 348 A HA 0.122 4.442 4.320 -0.000 0.000 0.216 348 A C 1.506 178.997 177.584 -0.155 0.000 1.152 348 A CA 1.300 53.297 52.037 -0.067 0.000 0.708 348 A CB 0.130 19.110 19.000 -0.033 0.000 0.805 348 A HN 0.476 nan 8.150 nan 0.000 0.460 349 G N -2.949 105.614 108.800 -0.395 0.000 2.559 349 G HA2 0.279 4.239 3.960 -0.000 0.000 0.202 349 G HA3 0.279 4.239 3.960 -0.000 0.000 0.202 349 G C 0.253 174.986 174.900 -0.278 0.000 0.992 349 G CA -0.005 44.608 45.100 -0.812 0.000 0.764 349 G HN 1.268 nan 8.290 nan 0.000 0.525 350 A N 0.639 123.362 122.820 -0.162 0.000 2.366 350 A HA 0.755 5.075 4.320 -0.000 0.000 0.272 350 A C 1.321 178.840 177.584 -0.108 0.000 1.135 350 A CA 0.973 52.957 52.037 -0.089 0.000 0.804 350 A CB 0.851 19.816 19.000 -0.059 0.000 1.064 350 A HN 0.652 nan 8.150 nan 0.000 0.499 351 S N 1.101 116.736 115.700 -0.109 0.000 2.478 351 S HA 0.264 4.734 4.470 -0.000 0.000 0.222 351 S C 0.369 174.854 174.600 -0.191 0.000 1.008 351 S CA 0.538 58.652 58.200 -0.145 0.000 0.928 351 S CB -0.328 62.774 63.200 -0.163 0.000 0.781 351 S HN 0.595 nan 8.310 nan 0.000 0.518 352 L N 0.584 121.699 121.223 -0.180 0.000 2.469 352 L HA 0.685 5.025 4.340 -0.000 0.000 0.256 352 L C -0.992 175.896 176.870 0.030 0.000 1.006 352 L CA -1.061 53.700 54.840 -0.132 0.000 0.832 352 L CB 2.172 43.989 42.059 -0.403 0.000 1.421 352 L HN -0.048 nan 8.230 nan 0.000 0.410 353 V N -1.266 118.745 119.914 0.162 0.000 3.102 353 V HA 0.732 4.852 4.120 -0.000 0.000 0.312 353 V C -1.151 175.059 176.094 0.192 0.000 1.135 353 V CA -0.510 61.878 62.300 0.146 0.000 1.022 353 V CB 2.086 33.960 31.823 0.084 0.000 1.056 353 V HN 0.887 nan 8.190 nan 0.000 0.436 354 Q N 1.411 121.276 119.800 0.108 0.000 2.495 354 Q HA 0.856 5.196 4.340 -0.000 0.000 0.287 354 Q C -1.611 174.420 176.000 0.051 0.000 1.078 354 Q CA -0.873 54.938 55.803 0.014 0.000 0.793 354 Q CB 2.865 31.592 28.738 -0.018 0.000 1.459 354 Q HN 0.934 nan 8.270 nan 0.000 0.422 355 L N -2.492 118.756 121.223 0.041 0.000 2.469 355 L HA 0.580 4.920 4.340 -0.000 0.000 0.256 355 L C -1.066 175.879 176.870 0.125 0.000 1.006 355 L CA -0.442 54.465 54.840 0.113 0.000 0.832 355 L CB 1.386 43.541 42.059 0.160 0.000 1.421 355 L HN 0.881 nan 8.230 nan 0.000 0.410 356 Y N -0.220 120.081 120.300 0.002 0.000 3.324 356 Y HA -0.003 4.547 4.550 0.000 0.000 0.187 356 Y C 1.609 177.510 175.900 0.001 0.000 0.920 356 Y CA 0.495 58.580 58.100 -0.024 0.000 1.710 356 Y CB 0.776 39.230 38.460 -0.011 0.000 1.461 356 Y HN 0.677 nan 8.280 nan 0.000 0.360 357 T N 1.931 116.529 114.554 0.075 0.000 2.685 357 T HA -0.272 4.078 4.350 -0.000 0.000 0.268 357 T C 1.773 176.516 174.700 0.072 0.000 1.034 357 T CA 1.732 63.805 62.100 -0.044 0.000 1.149 357 T CB -0.665 68.200 68.868 -0.005 0.000 0.860 357 T HN 0.515 nan 8.240 nan 0.000 0.449 358 A N 1.038 123.939 122.820 0.135 0.000 1.978 358 A HA -0.044 4.276 4.320 -0.000 0.000 0.220 358 A C 2.228 179.858 177.584 0.078 0.000 1.170 358 A CA 1.344 53.463 52.037 0.136 0.000 0.636 358 A CB -0.755 18.403 19.000 0.263 0.000 0.810 358 A HN 0.429 nan 8.150 nan 0.000 0.448 359 L N 0.507 121.800 121.223 0.117 0.000 2.083 359 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 359 L C 2.700 179.577 176.870 0.013 0.000 1.083 359 L CA 2.793 57.685 54.840 0.087 0.000 0.752 359 L CB -0.887 41.207 42.059 0.058 0.000 0.899 359 L HN 0.572 nan 8.230 nan 0.000 0.433 360 T N -4.020 110.496 114.554 -0.063 0.000 2.962 360 T HA -0.121 4.229 4.350 -0.000 0.000 0.270 360 T C 1.580 175.992 174.700 -0.480 0.000 1.088 360 T CA 1.321 63.278 62.100 -0.238 0.000 1.127 360 T CB -0.641 68.002 68.868 -0.374 0.000 0.883 360 T HN 0.330 nan 8.240 nan 0.000 0.493 361 F N -0.911 118.793 119.950 -0.411 0.000 2.453 361 F HA 0.383 4.910 4.527 -0.000 0.000 0.284 361 F C 1.751 177.211 175.800 -0.565 0.000 1.065 361 F CA -0.359 57.191 58.000 -0.751 0.000 1.411 361 F CB 0.138 38.261 39.000 -1.463 0.000 1.131 361 F HN 0.157 nan 8.300 nan 0.000 0.582 362 W N 0.289 121.723 121.300 0.222 0.000 3.013 362 W HA 0.468 5.128 4.660 -0.000 0.000 0.280 362 W C 1.148 177.751 176.519 0.140 0.000 1.249 362 W CA 0.253 57.689 57.345 0.151 0.000 1.577 362 W CB -0.098 29.424 29.460 0.104 0.000 1.057 362 W HN 0.103 nan 8.180 nan 0.000 0.613 363 G N 0.967 109.925 108.800 0.264 0.000 2.796 363 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.571 363 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.571 363 G C -1.759 173.180 174.900 0.065 0.000 1.370 363 G CA -0.548 44.676 45.100 0.208 0.000 0.856 363 G HN -0.105 nan 8.290 nan 0.000 0.538 364 P HA -0.081 nan 4.420 nan 0.000 0.218 364 P C -1.142 176.037 177.300 -0.202 0.000 1.152 364 P CA 2.584 65.599 63.100 -0.142 0.000 0.857 364 P CB -0.448 31.164 31.700 -0.146 0.000 0.787 365 P HA -0.116 nan 4.420 nan 0.000 0.221 365 P C 1.639 178.876 177.300 -0.105 0.000 1.145 365 P CA 0.796 63.779 63.100 -0.194 0.000 0.795 365 P CB -0.389 31.190 31.700 -0.201 0.000 0.775 366 V N -0.467 119.427 119.914 -0.033 0.000 2.594 366 V HA -0.204 3.916 4.120 -0.000 0.000 0.253 366 V C 2.070 178.110 176.094 -0.090 0.000 1.069 366 V CA 1.701 64.007 62.300 0.010 0.000 1.082 366 V CB -0.754 31.178 31.823 0.182 0.000 0.680 366 V HN -0.060 nan 8.190 nan 0.000 0.469 367 V N 0.684 120.481 119.914 -0.195 0.000 2.295 367 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 367 V C 2.709 178.639 176.094 -0.273 0.000 1.049 367 V CA 2.209 64.311 62.300 -0.330 0.000 1.024 367 V CB -1.544 29.894 31.823 -0.641 0.000 0.648 367 V HN 0.612 nan 8.190 nan 0.000 0.447 368 G N -0.693 107.972 108.800 -0.226 0.000 2.422 368 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 368 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 368 G C 1.648 176.357 174.900 -0.318 0.000 1.146 368 G CA 0.967 45.927 45.100 -0.232 0.000 0.769 368 G HN 0.477 nan 8.290 nan 0.000 0.547 369 K N 0.147 120.425 120.400 -0.205 0.000 2.026 369 K HA -0.062 4.258 4.320 -0.000 0.000 0.208 369 K C 2.578 179.055 176.600 -0.205 0.000 1.048 369 K CA 1.393 57.573 56.287 -0.179 0.000 0.929 369 K CB -0.309 32.117 32.500 -0.124 0.000 0.713 369 K HN 0.182 nan 8.250 nan 0.000 0.439 370 V N 1.916 121.723 119.914 -0.178 0.000 2.287 370 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 370 V C 2.230 178.195 176.094 -0.215 0.000 1.053 370 V CA 1.912 64.126 62.300 -0.144 0.000 1.027 370 V CB -0.398 31.377 31.823 -0.080 0.000 0.646 370 V HN 0.368 nan 8.190 nan 0.000 0.447 371 K N -0.299 119.886 120.400 -0.357 0.000 2.057 371 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 371 K C 2.398 178.595 176.600 -0.671 0.000 1.049 371 K CA 1.532 57.514 56.287 -0.508 0.000 0.931 371 K CB -0.263 31.808 32.500 -0.715 0.000 0.714 371 K HN 0.327 nan 8.250 nan 0.000 0.440 372 R N 1.747 121.748 120.500 -0.831 0.000 2.073 372 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 372 R C 1.813 178.018 176.300 -0.159 0.000 1.134 372 R CA 1.719 57.549 56.100 -0.450 0.000 0.952 372 R CB 0.018 30.161 30.300 -0.263 0.000 0.850 372 R HN 0.238 nan 8.270 nan 0.000 0.433 373 E N 0.414 120.522 120.200 -0.153 0.000 2.106 373 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 373 E C 1.983 178.555 176.600 -0.047 0.000 0.984 373 E CA 1.070 57.425 56.400 -0.076 0.000 0.806 373 E CB -0.143 29.511 29.700 -0.076 0.000 0.750 373 E HN 0.219 nan 8.360 nan 0.000 0.458 374 L N 1.676 122.859 121.223 -0.067 0.000 2.017 374 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 374 L C 2.251 179.129 176.870 0.013 0.000 1.073 374 L CA 1.921 56.745 54.840 -0.028 0.000 0.745 374 L CB -0.356 41.680 42.059 -0.038 0.000 0.894 374 L HN 0.060 nan 8.230 nan 0.000 0.432 375 E N -0.570 119.645 120.200 0.025 0.000 2.051 375 E HA -0.249 4.101 4.350 -0.000 0.000 0.192 375 E C 2.074 178.722 176.600 0.080 0.000 0.991 375 E CA 1.213 57.666 56.400 0.088 0.000 0.799 375 E CB -0.187 29.616 29.700 0.171 0.000 0.748 375 E HN 0.630 nan 8.360 nan 0.000 0.449 376 A N 1.001 123.856 122.820 0.058 0.000 1.902 376 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 376 A C 2.210 179.827 177.584 0.054 0.000 1.181 376 A CA 1.163 53.231 52.037 0.052 0.000 0.623 376 A CB -0.644 18.375 19.000 0.033 0.000 0.818 376 A HN 0.305 nan 8.150 nan 0.000 0.443 377 L N -0.735 120.518 121.223 0.051 0.000 2.056 377 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 377 L C 2.561 179.507 176.870 0.126 0.000 1.078 377 L CA 0.890 55.771 54.840 0.068 0.000 0.749 377 L CB -0.502 41.588 42.059 0.053 0.000 0.901 377 L HN 0.375 nan 8.230 nan 0.000 0.433 378 L N -0.309 120.997 121.223 0.139 0.000 2.042 378 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 378 L C 2.672 179.667 176.870 0.208 0.000 1.076 378 L CA 1.536 56.518 54.840 0.237 0.000 0.749 378 L CB -0.461 41.692 42.059 0.157 0.000 0.893 378 L HN 0.228 nan 8.230 nan 0.000 0.432 379 K N -0.037 120.435 120.400 0.121 0.000 2.026 379 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 379 K C 1.975 178.601 176.600 0.043 0.000 1.048 379 K CA 1.514 57.847 56.287 0.076 0.000 0.929 379 K CB -0.174 32.362 32.500 0.060 0.000 0.713 379 K HN 0.355 nan 8.250 nan 0.000 0.439 380 E N 0.887 121.113 120.200 0.044 0.000 2.160 380 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 380 E C 1.546 178.141 176.600 -0.009 0.000 0.991 380 E CA 1.030 57.441 56.400 0.018 0.000 0.810 380 E CB 0.042 29.757 29.700 0.025 0.000 0.742 380 E HN 0.347 nan 8.360 nan 0.000 0.466 381 Q N -0.717 119.086 119.800 0.004 0.000 2.280 381 Q HA 0.120 4.460 4.340 -0.000 0.000 0.202 381 Q C 0.647 176.432 176.000 -0.359 0.000 0.903 381 Q CA 0.280 56.019 55.803 -0.106 0.000 0.948 381 Q CB 1.020 29.783 28.738 0.042 0.000 1.058 381 Q HN 0.380 nan 8.270 nan 0.000 0.493 382 G N 0.802 109.475 108.800 -0.212 0.000 2.153 382 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.252 382 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.252 382 G C -0.202 174.536 174.900 -0.271 0.000 0.994 382 G CA -0.177 44.780 45.100 -0.238 0.000 0.698 382 G HN 0.323 nan 8.290 nan 0.000 0.521 383 F N 0.252 120.208 119.950 0.011 0.000 2.396 383 F HA 0.511 5.038 4.527 -0.000 0.000 0.343 383 F C 1.787 177.597 175.800 0.017 0.000 1.104 383 F CA 0.166 58.173 58.000 0.013 0.000 1.161 383 F CB 1.535 40.543 39.000 0.012 0.000 1.146 383 F HN -0.017 nan 8.300 nan 0.000 0.522 384 G N 1.690 110.613 108.800 0.205 0.000 2.484 384 G HA2 0.359 4.319 3.960 -0.000 0.000 0.218 384 G HA3 0.359 4.319 3.960 -0.000 0.000 0.218 384 G C 0.484 175.456 174.900 0.120 0.000 1.130 384 G CA 0.694 45.868 45.100 0.124 0.000 0.784 384 G HN 1.002 nan 8.290 nan 0.000 0.543 385 G N -2.112 106.772 108.800 0.139 0.000 2.441 385 G HA2 0.313 4.273 3.960 -0.000 0.000 0.294 385 G HA3 0.313 4.273 3.960 -0.000 0.000 0.294 385 G C 0.434 175.354 174.900 0.033 0.000 1.393 385 G CA 0.117 45.269 45.100 0.087 0.000 0.796 385 G HN 0.120 nan 8.290 nan 0.000 0.494 386 V N 0.373 120.288 119.914 0.002 0.000 2.282 386 V HA -0.195 3.925 4.120 -0.000 0.000 0.249 386 V C 3.155 179.193 176.094 -0.093 0.000 1.057 386 V CA 3.075 65.336 62.300 -0.065 0.000 1.032 386 V CB -1.001 30.805 31.823 -0.028 0.000 0.645 386 V HN 0.880 nan 8.190 nan 0.000 0.447 387 T N -0.443 114.091 114.554 -0.034 0.000 2.699 387 T HA -0.234 4.116 4.350 -0.000 0.000 0.268 387 T C 1.601 176.284 174.700 -0.028 0.000 1.036 387 T CA 1.771 63.855 62.100 -0.027 0.000 1.147 387 T CB -0.427 68.446 68.868 0.009 0.000 0.862 387 T HN 0.534 nan 8.240 nan 0.000 0.446 388 D N 1.131 121.533 120.400 0.002 0.000 2.219 388 D HA 0.032 4.672 4.640 -0.000 0.000 0.205 388 D C 2.152 178.433 176.300 -0.032 0.000 0.970 388 D CA 0.963 55.008 54.000 0.075 0.000 0.851 388 D CB -0.173 40.761 40.800 0.222 0.000 0.943 388 D HN 0.467 nan 8.370 nan 0.000 0.488 389 A N 0.523 123.105 122.820 -0.396 0.000 2.132 389 A HA 0.083 4.403 4.320 -0.000 0.000 0.213 389 A C 1.269 178.612 177.584 -0.402 0.000 1.154 389 A CA -0.225 51.291 52.037 -0.869 0.000 0.753 389 A CB -0.213 18.006 19.000 -1.303 0.000 0.826 389 A HN 0.119 nan 8.150 nan 0.000 0.469 390 I N 0.867 121.296 120.570 -0.235 0.000 2.752 390 I HA 0.151 4.321 4.170 -0.000 0.000 0.286 390 I C 1.550 177.561 176.117 -0.177 0.000 1.180 390 I CA 1.229 62.419 61.300 -0.183 0.000 1.404 390 I CB -0.229 37.710 38.000 -0.101 0.000 1.389 390 I HN 0.457 nan 8.210 nan 0.000 0.549 391 G N 4.527 113.129 108.800 -0.330 0.000 2.168 391 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.263 391 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.263 391 G C 1.152 176.041 174.900 -0.018 0.000 0.977 391 G CA 0.509 45.362 45.100 -0.411 0.000 0.659 391 G HN 0.867 nan 8.290 nan 0.000 0.533 392 A N 0.327 123.138 122.820 -0.015 0.000 1.958 392 A HA -0.093 4.227 4.320 -0.000 0.000 0.221 392 A C 2.040 179.689 177.584 0.108 0.000 1.178 392 A CA 2.425 54.524 52.037 0.103 0.000 0.642 392 A CB -0.410 18.702 19.000 0.187 0.000 0.816 392 A HN 0.446 nan 8.150 nan 0.000 0.453 393 D N -0.838 119.589 120.400 0.044 0.000 2.182 393 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 393 D C 1.559 177.825 176.300 -0.057 0.000 0.986 393 D CA 1.155 55.136 54.000 -0.031 0.000 0.847 393 D CB -0.516 40.202 40.800 -0.137 0.000 0.942 393 D HN 0.684 nan 8.370 nan 0.000 0.467 394 H N -0.163 118.922 119.070 0.024 0.000 2.547 394 H HA 0.144 4.700 4.556 -0.000 0.000 0.272 394 H C 1.435 176.811 175.328 0.078 0.000 0.989 394 H CA 0.524 56.618 56.048 0.077 0.000 1.214 394 H CB 0.512 30.379 29.762 0.175 0.000 1.389 394 H HN 0.138 nan 8.280 nan 0.000 0.577 395 R N 1.081 121.686 120.500 0.175 0.000 2.362 395 R HA 0.091 4.431 4.340 -0.000 0.000 0.227 395 R C 0.929 177.277 176.300 0.081 0.000 0.905 395 R CA -0.152 56.023 56.100 0.125 0.000 1.067 395 R CB 0.680 31.056 30.300 0.126 0.000 1.078 395 R HN 0.305 nan 8.270 nan 0.000 0.516 396 R N 0.000 120.538 120.500 0.063 0.000 2.786 396 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 396 R CA 0.000 56.123 56.100 0.039 0.000 0.921 396 R CB 0.000 30.319 30.300 0.032 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535