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 1n2n_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIW 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.124 176.000 0.207 0.000 1.003 77 Q CA 0.000 55.829 55.803 0.043 0.000 1.022 77 Q CB 0.000 28.610 28.738 -0.214 0.000 1.108 78 Y N -0.093 120.283 120.300 0.126 0.000 2.426 78 Y HA 0.570 5.120 4.550 0.000 0.000 0.344 78 Y C -0.472 175.472 175.900 0.072 0.000 1.256 78 Y CA -0.679 57.476 58.100 0.091 0.000 1.451 78 Y CB 0.323 38.782 38.460 -0.002 0.000 1.342 78 Y HN 0.148 nan 8.280 nan 0.000 0.600 79 V N 4.010 124.165 119.914 0.401 0.000 2.417 79 V HA 0.392 4.512 4.120 0.000 0.000 0.291 79 V C -0.059 176.175 176.094 0.233 0.000 1.024 79 V CA -1.087 61.338 62.300 0.208 0.000 0.861 79 V CB 1.115 32.887 31.823 -0.085 0.000 0.985 79 V HN 0.755 nan 8.190 nan 0.000 0.436 80 R N 3.344 123.978 120.500 0.223 0.000 2.370 80 R HA 0.468 4.808 4.340 0.000 0.000 0.309 80 R C -0.924 175.424 176.300 0.080 0.000 1.059 80 R CA 0.058 56.257 56.100 0.165 0.000 0.981 80 R CB 0.341 30.734 30.300 0.155 0.000 0.972 80 R HN 0.621 nan 8.270 nan 0.000 0.437 81 I N 3.533 124.117 120.570 0.023 0.000 2.436 81 I HA 0.335 4.506 4.170 0.000 0.000 0.289 81 I C -0.730 175.332 176.117 -0.091 0.000 1.010 81 I CA -0.318 60.968 61.300 -0.024 0.000 1.098 81 I CB 1.644 39.605 38.000 -0.065 0.000 1.266 81 I HN 0.493 nan 8.210 nan 0.000 0.434 82 K N 5.348 125.712 120.400 -0.061 0.000 2.316 82 K HA 0.443 4.763 4.320 0.000 0.000 0.251 82 K C -0.911 175.625 176.600 -0.108 0.000 0.934 82 K CA -0.768 55.410 56.287 -0.181 0.000 0.802 82 K CB 1.226 33.489 32.500 -0.394 0.000 1.171 82 K HN 0.548 nan 8.250 nan 0.000 0.426 83 N N 3.914 122.529 118.700 -0.142 0.000 2.437 83 N HA 0.092 4.832 4.740 0.000 0.000 0.259 83 N C -0.279 175.209 175.510 -0.037 0.000 0.983 83 N CA -0.308 52.761 53.050 0.031 0.000 0.937 83 N CB 0.481 38.980 38.487 0.020 0.000 1.122 83 N HN 0.651 nan 8.380 nan 0.000 0.499 84 W N 2.390 123.758 121.300 0.114 0.000 2.800 84 W HA 0.250 4.910 4.660 0.000 0.000 0.249 84 W C 2.064 178.617 176.519 0.056 0.000 1.294 84 W CA 0.122 57.528 57.345 0.101 0.000 1.402 84 W CB 0.061 29.613 29.460 0.152 0.000 1.126 84 W HN 0.689 nan 8.180 nan 0.000 0.652 85 G N -0.599 108.329 108.800 0.213 0.000 2.494 85 G HA2 -0.132 3.828 3.960 0.000 0.000 0.216 85 G HA3 -0.132 3.828 3.960 0.000 0.000 0.216 85 G C 1.415 176.318 174.900 0.005 0.000 1.140 85 G CA 1.254 46.360 45.100 0.011 0.000 0.801 85 G HN 0.267 nan 8.290 nan 0.000 0.536 86 S N -1.986 113.717 115.700 0.005 0.000 2.632 86 S HA 0.392 4.862 4.470 0.000 0.000 0.237 86 S C 1.824 176.378 174.600 -0.077 0.000 1.037 86 S CA 1.002 59.182 58.200 -0.032 0.000 1.009 86 S CB 0.426 63.608 63.200 -0.029 0.000 0.974 86 S HN 1.400 nan 8.310 nan 0.000 0.544 87 G N 1.735 110.461 108.800 -0.124 0.000 2.228 87 G HA2 -0.356 3.604 3.960 0.000 0.000 0.270 87 G HA3 -0.356 3.604 3.960 0.000 0.000 0.270 87 G C -0.103 174.670 174.900 -0.212 0.000 0.976 87 G CA 0.599 45.569 45.100 -0.215 0.000 0.636 87 G HN 0.778 nan 8.290 nan 0.000 0.542 88 E N 0.754 120.858 120.200 -0.161 0.000 2.415 88 E HA 0.293 4.643 4.350 0.000 0.000 0.263 88 E C 0.328 176.805 176.600 -0.205 0.000 0.995 88 E CA -0.243 56.059 56.400 -0.162 0.000 0.915 88 E CB 0.119 29.741 29.700 -0.130 0.000 0.951 88 E HN 0.260 nan 8.360 nan 0.000 0.449 89 I N 5.657 126.094 120.570 -0.222 0.000 2.460 89 I HA 0.356 4.526 4.170 0.000 0.000 0.298 89 I C 0.106 176.021 176.117 -0.336 0.000 0.989 89 I CA -0.657 60.493 61.300 -0.251 0.000 1.173 89 I CB 1.121 38.991 38.000 -0.217 0.000 1.338 89 I HN 0.545 nan 8.210 nan 0.000 0.456 90 L N 5.003 126.022 121.223 -0.340 0.000 2.354 90 L HA 0.493 4.833 4.340 0.000 0.000 0.264 90 L C -0.724 176.001 176.870 -0.243 0.000 1.008 90 L CA -0.739 53.861 54.840 -0.399 0.000 0.819 90 L CB 2.505 44.226 42.059 -0.562 0.000 1.339 90 L HN 0.546 nan 8.230 nan 0.000 0.420 91 H N 0.428 119.420 119.070 -0.129 0.000 2.505 91 H HA 0.249 4.805 4.556 0.000 0.000 0.338 91 H C -1.235 174.191 175.328 0.164 0.000 1.057 91 H CA -0.760 55.203 56.048 -0.142 0.000 1.202 91 H CB 2.347 31.829 29.762 -0.466 0.000 1.466 91 H HN 0.410 nan 8.280 nan 0.000 0.499 92 D N 2.526 123.140 120.400 0.355 0.000 2.303 92 D HA 0.060 4.700 4.640 0.000 0.000 0.236 92 D C 0.584 177.021 176.300 0.229 0.000 1.068 92 D CA -0.321 53.886 54.000 0.345 0.000 0.830 92 D CB 1.579 42.600 40.800 0.368 0.000 1.109 92 D HN 0.762 nan 8.370 nan 0.000 0.496 93 T N 0.986 115.568 114.554 0.046 0.000 2.955 93 T HA -0.031 4.320 4.350 0.000 0.000 0.251 93 T C 1.898 176.331 174.700 -0.445 0.000 1.002 93 T CA -0.202 61.754 62.100 -0.240 0.000 0.970 93 T CB 0.040 68.895 68.868 -0.022 0.000 1.091 93 T HN 0.247 nan 8.240 nan 0.000 0.495 94 L N 3.283 124.366 121.223 -0.233 0.000 2.129 94 L HA -0.138 4.202 4.340 0.000 0.000 0.212 94 L C 2.546 179.156 176.870 -0.433 0.000 1.087 94 L CA 1.985 56.692 54.840 -0.220 0.000 0.757 94 L CB -0.888 41.120 42.059 -0.085 0.000 0.896 94 L HN 0.598 nan 8.230 nan 0.000 0.434 95 H N -2.438 116.138 119.070 -0.824 0.000 2.541 95 H HA -0.184 4.372 4.556 0.000 0.000 0.289 95 H C 1.656 176.656 175.328 -0.548 0.000 1.054 95 H CA 1.787 57.083 56.048 -1.255 0.000 1.250 95 H CB -1.052 28.004 29.762 -1.176 0.000 1.369 95 H HN 0.620 nan 8.280 nan 0.000 0.578 96 H N 0.758 119.380 119.070 -0.747 0.000 2.423 96 H HA -0.011 4.545 4.556 0.000 0.000 0.297 96 H C 1.688 176.871 175.328 -0.243 0.000 1.075 96 H CA 0.842 56.603 56.048 -0.478 0.000 1.342 96 H CB 0.363 29.889 29.762 -0.392 0.000 1.395 96 H HN 0.223 nan 8.280 nan 0.000 0.530 97 K N 1.004 121.351 120.400 -0.089 0.000 2.439 97 K HA 0.091 4.412 4.320 0.000 0.000 0.197 97 K C 0.579 177.177 176.600 -0.004 0.000 1.041 97 K CA 0.364 56.636 56.287 -0.024 0.000 0.970 97 K CB 0.108 32.605 32.500 -0.004 0.000 0.773 97 K HN 0.219 nan 8.250 nan 0.000 0.479 98 A N 1.169 123.968 122.820 -0.036 0.000 2.598 98 A HA -0.083 4.237 4.320 0.000 0.000 0.239 98 A C 1.062 178.668 177.584 0.036 0.000 1.032 98 A CA 0.620 52.673 52.037 0.026 0.000 0.760 98 A CB -0.178 18.834 19.000 0.020 0.000 0.946 98 A HN 0.346 nan 8.150 nan 0.000 0.512 99 T N 2.509 117.086 114.554 0.038 0.000 2.453 99 T HA -0.034 4.317 4.350 0.000 0.000 0.243 99 T C 1.505 176.237 174.700 0.054 0.000 1.254 99 T CA 1.693 63.817 62.100 0.040 0.000 1.327 99 T CB -0.247 68.630 68.868 0.016 0.000 0.885 99 T HN 0.696 nan 8.240 nan 0.000 0.391 100 S N 0.248 115.981 115.700 0.056 0.000 2.496 100 S HA 0.334 4.804 4.470 0.000 0.000 0.260 100 S C -0.749 173.899 174.600 0.081 0.000 1.122 100 S CA -0.669 57.567 58.200 0.060 0.000 1.019 100 S CB 0.221 63.450 63.200 0.048 0.000 1.226 100 S HN 0.387 nan 8.310 nan 0.000 0.502 101 D N 0.655 121.102 120.400 0.079 0.000 2.198 101 D HA 0.415 5.055 4.640 0.000 0.000 0.245 101 D C -0.277 176.106 176.300 0.139 0.000 1.079 101 D CA -0.331 53.733 54.000 0.106 0.000 0.854 101 D CB 0.678 41.520 40.800 0.069 0.000 1.148 101 D HN 0.157 nan 8.370 nan 0.000 0.456 102 F N 1.045 121.015 119.950 0.033 0.000 2.050 102 F HA 0.003 4.530 4.527 0.000 0.000 0.251 102 F C 1.957 177.780 175.800 0.039 0.000 1.053 102 F CA 0.230 58.250 58.000 0.034 0.000 1.191 102 F CB -0.051 38.980 39.000 0.050 0.000 1.806 102 F HN 0.226 nan 8.300 nan 0.000 0.529 103 T N 0.213 114.185 114.554 -0.971 0.000 2.812 103 T HA -0.041 4.310 4.350 0.000 0.000 0.264 103 T C 0.821 175.440 174.700 -0.136 0.000 1.042 103 T CA 0.922 62.662 62.100 -0.599 0.000 1.140 103 T CB -0.743 67.635 68.868 -0.817 0.000 0.870 103 T HN 0.400 nan 8.240 nan 0.000 0.445 104 C N 2.625 121.967 119.300 0.070 0.000 2.652 104 C HA 0.342 4.802 4.460 0.000 0.000 0.412 104 C C 1.440 176.475 174.990 0.075 0.000 1.294 104 C CA -1.149 57.929 59.018 0.100 0.000 2.127 104 C CB 0.328 28.169 27.740 0.167 0.000 2.691 104 C HN 0.471 nan 8.230 nan 0.000 0.615 105 K N 1.081 121.512 120.400 0.051 0.000 3.015 105 K HA 0.143 4.464 4.320 0.000 0.000 0.340 105 K C 1.404 178.033 176.600 0.048 0.000 1.002 105 K CA 0.473 56.784 56.287 0.040 0.000 1.190 105 K CB 0.000 32.516 32.500 0.027 0.000 1.241 105 K HN 0.807 nan 8.250 nan 0.000 0.507 106 S N -0.605 115.117 115.700 0.036 0.000 2.514 106 S HA 0.120 4.590 4.470 0.000 0.000 0.223 106 S C 1.277 175.894 174.600 0.029 0.000 1.046 106 S CA -0.037 58.184 58.200 0.035 0.000 0.914 106 S CB 0.264 63.481 63.200 0.028 0.000 0.807 106 S HN 0.343 nan 8.310 nan 0.000 0.497 107 K N 0.361 120.776 120.400 0.025 0.000 2.425 107 K HA 0.383 4.703 4.320 0.000 0.000 0.201 107 K C 0.388 177.001 176.600 0.021 0.000 1.128 107 K CA 0.050 56.349 56.287 0.020 0.000 1.000 107 K CB 0.868 33.378 32.500 0.016 0.000 0.961 107 K HN 0.246 nan 8.250 nan 0.000 0.555 108 S N -0.270 115.445 115.700 0.025 0.000 2.726 108 S HA 0.472 4.942 4.470 0.000 0.000 0.308 108 S C -1.474 173.148 174.600 0.036 0.000 1.115 108 S CA -0.671 57.544 58.200 0.025 0.000 0.965 108 S CB 1.719 64.932 63.200 0.021 0.000 1.145 108 S HN 0.282 nan 8.310 nan 0.000 0.532 109 C N 3.400 122.723 119.300 0.038 0.000 2.571 109 C HA 0.585 5.045 4.460 0.000 0.000 0.343 109 C C -0.509 174.516 174.990 0.058 0.000 1.082 109 C CA -0.619 58.432 59.018 0.056 0.000 1.339 109 C CB -1.139 26.631 27.740 0.050 0.000 1.893 109 C HN 0.792 nan 8.230 nan 0.000 0.445 110 L N 5.358 126.620 121.223 0.064 0.000 2.851 110 L HA 0.349 4.689 4.340 0.000 0.000 0.237 110 L C 2.069 178.994 176.870 0.091 0.000 1.257 110 L CA 0.759 55.632 54.840 0.055 0.000 1.061 110 L CB -0.286 41.783 42.059 0.016 0.000 1.372 110 L HN 0.901 nan 8.230 nan 0.000 0.493 111 G N -0.164 108.718 108.800 0.136 0.000 2.527 111 G HA2 -0.225 3.736 3.960 0.000 0.000 0.219 111 G HA3 -0.225 3.736 3.960 0.000 0.000 0.219 111 G C 1.414 176.433 174.900 0.198 0.000 1.117 111 G CA 1.050 46.271 45.100 0.202 0.000 0.759 111 G HN 0.545 nan 8.290 nan 0.000 0.556 112 S N -0.467 115.324 115.700 0.151 0.000 2.554 112 S HA 0.382 4.852 4.470 0.000 0.000 0.226 112 S C 0.553 175.243 174.600 0.149 0.000 0.980 112 S CA -0.626 57.672 58.200 0.163 0.000 0.939 112 S CB 0.246 63.520 63.200 0.123 0.000 0.832 112 S HN 0.003 nan 8.310 nan 0.000 0.486 113 I N 2.614 123.256 120.570 0.121 0.000 2.416 113 I HA 0.224 4.394 4.170 0.000 0.000 0.288 113 I C 1.505 177.697 176.117 0.125 0.000 1.051 113 I CA -0.001 61.353 61.300 0.089 0.000 1.375 113 I CB 0.506 38.528 38.000 0.037 0.000 1.407 113 I HN 0.307 nan 8.210 nan 0.000 0.516 114 M N 5.042 124.720 119.600 0.130 0.000 2.123 114 M HA -0.102 4.378 4.480 0.000 0.000 0.263 114 M C 0.391 176.714 176.300 0.039 0.000 1.069 114 M CA 1.797 57.199 55.300 0.169 0.000 1.133 114 M CB -0.241 32.463 32.600 0.173 0.000 1.356 114 M HN 0.547 nan 8.290 nan 0.000 0.415 115 N N 0.882 119.559 118.700 -0.039 0.000 2.908 115 N HA 0.212 4.952 4.740 0.000 0.000 0.316 115 N C -2.437 173.056 175.510 -0.029 0.000 1.619 115 N CA -1.038 51.942 53.050 -0.118 0.000 1.045 115 N CB 0.199 38.571 38.487 -0.192 0.000 1.357 115 N HN 0.213 nan 8.380 nan 0.000 0.501 116 P HA 0.027 nan 4.420 nan 0.000 0.272 116 P C 0.139 177.431 177.300 -0.013 0.000 1.230 116 P CA -0.193 62.880 63.100 -0.044 0.000 0.788 116 P CB 1.625 33.245 31.700 -0.134 0.000 0.949 117 K N 0.476 120.856 120.400 -0.033 0.000 2.283 117 K HA -0.071 4.249 4.320 0.000 0.000 0.202 117 K C 2.011 178.612 176.600 0.000 0.000 1.048 117 K CA 1.609 57.891 56.287 -0.010 0.000 0.948 117 K CB -0.246 32.238 32.500 -0.027 0.000 0.742 117 K HN 0.541 nan 8.250 nan 0.000 0.458 118 S N 0.413 116.074 115.700 -0.064 0.000 2.474 118 S HA -0.076 4.394 4.470 0.000 0.000 0.235 118 S C 1.524 176.182 174.600 0.097 0.000 0.997 118 S CA 0.714 58.880 58.200 -0.056 0.000 0.949 118 S CB 0.003 63.040 63.200 -0.271 0.000 0.766 118 S HN 0.087 nan 8.310 nan 0.000 0.517 119 L N 1.310 122.625 121.223 0.153 0.000 2.640 119 L HA 0.406 4.746 4.340 0.000 0.000 0.230 119 L C 0.204 177.379 176.870 0.509 0.000 1.123 119 L CA 0.566 55.613 54.840 0.346 0.000 0.900 119 L CB 0.013 42.267 42.059 0.325 0.000 1.146 119 L HN 0.215 nan 8.230 nan 0.000 0.484 120 T N -0.347 114.416 114.554 0.348 0.000 2.859 120 T HA 0.528 4.878 4.350 0.000 0.000 0.281 120 T C -0.334 174.393 174.700 0.046 0.000 1.005 120 T CA -0.464 61.791 62.100 0.257 0.000 1.025 120 T CB 2.172 71.125 68.868 0.141 0.000 0.977 120 T HN -0.142 nan 8.240 nan 0.000 0.458 121 R N 1.633 122.121 120.500 -0.020 0.000 2.407 121 R HA 0.574 4.914 4.340 0.000 0.000 0.298 121 R C 0.293 176.543 176.300 -0.084 0.000 1.166 121 R CA -0.407 55.569 56.100 -0.207 0.000 1.006 121 R CB 0.269 30.320 30.300 -0.415 0.000 1.145 121 R HN 0.830 nan 8.270 nan 0.000 0.538 122 G N 3.003 111.754 108.800 -0.082 0.000 2.508 122 G HA2 0.385 4.345 3.960 0.000 0.000 0.278 122 G HA3 0.385 4.345 3.960 0.000 0.000 0.278 122 G C -2.018 172.843 174.900 -0.065 0.000 1.389 122 G CA -1.153 43.907 45.100 -0.067 0.000 1.050 122 G HN 0.481 nan 8.290 nan 0.000 0.522 123 P HA 0.325 nan 4.420 nan 0.000 0.270 123 P C -0.248 177.020 177.300 -0.053 0.000 1.227 123 P CA 0.024 63.089 63.100 -0.058 0.000 0.788 123 P CB 0.541 32.202 31.700 -0.065 0.000 0.926 124 R N 0.725 121.195 120.500 -0.049 0.000 2.739 124 R HA 0.330 4.670 4.340 0.000 0.000 0.271 124 R C -1.006 175.263 176.300 -0.052 0.000 1.010 124 R CA -0.418 55.655 56.100 -0.046 0.000 0.897 124 R CB 1.310 31.585 30.300 -0.041 0.000 1.236 124 R HN 0.530 nan 8.270 nan 0.000 0.466 125 D N 1.063 121.434 120.400 -0.048 0.000 2.594 125 D HA 0.206 4.846 4.640 0.000 0.000 0.256 125 D C -0.809 175.463 176.300 -0.046 0.000 1.393 125 D CA -0.225 53.740 54.000 -0.058 0.000 0.797 125 D CB 0.515 41.281 40.800 -0.057 0.000 1.110 125 D HN 0.255 nan 8.370 nan 0.000 0.495 126 K N 0.466 120.846 120.400 -0.034 0.000 2.523 126 K HA 0.447 4.768 4.320 0.000 0.000 0.257 126 K C -2.992 173.601 176.600 -0.012 0.000 0.932 126 K CA -1.794 54.481 56.287 -0.020 0.000 0.812 126 K CB 2.757 35.249 32.500 -0.014 0.000 1.326 126 K HN -0.189 nan 8.250 nan 0.000 0.433 127 P HA -0.082 nan 4.420 nan 0.000 0.269 127 P C -0.389 176.916 177.300 0.008 0.000 1.217 127 P CA -0.083 63.022 63.100 0.008 0.000 0.783 127 P CB 0.431 32.143 31.700 0.019 0.000 0.898 128 T N 1.277 115.839 114.554 0.014 0.000 2.884 128 T HA 0.294 4.644 4.350 0.000 0.000 0.298 128 T C -2.284 172.432 174.700 0.026 0.000 0.998 128 T CA -1.751 60.362 62.100 0.021 0.000 1.124 128 T CB -0.481 68.407 68.868 0.034 0.000 0.931 128 T HN 0.135 nan 8.240 nan 0.000 0.531 129 P HA 0.077 nan 4.420 nan 0.000 0.264 129 P C 1.043 178.352 177.300 0.015 0.000 1.183 129 P CA -0.150 62.958 63.100 0.013 0.000 0.763 129 P CB 0.366 32.069 31.700 0.006 0.000 0.807 130 L N 2.601 123.830 121.223 0.010 0.000 2.141 130 L HA -0.159 4.181 4.340 0.000 0.000 0.209 130 L C 2.218 179.081 176.870 -0.012 0.000 1.094 130 L CA 1.341 56.186 54.840 0.007 0.000 0.763 130 L CB -0.927 41.136 42.059 0.006 0.000 0.908 130 L HN 0.526 nan 8.230 nan 0.000 0.437 131 E N 1.001 121.189 120.200 -0.019 0.000 2.204 131 E HA -0.230 4.120 4.350 0.000 0.000 0.194 131 E C 1.408 177.968 176.600 -0.067 0.000 0.989 131 E CA 1.214 57.592 56.400 -0.038 0.000 0.824 131 E CB -0.128 29.553 29.700 -0.032 0.000 0.756 131 E HN 0.630 nan 8.360 nan 0.000 0.477 132 E N 0.910 121.077 120.200 -0.055 0.000 2.057 132 E HA 0.063 4.413 4.350 0.000 0.000 0.190 132 E C 2.350 178.895 176.600 -0.092 0.000 0.969 132 E CA 0.271 56.613 56.400 -0.097 0.000 0.812 132 E CB -0.068 29.629 29.700 -0.006 0.000 0.777 132 E HN 0.131 nan 8.360 nan 0.000 0.455 133 L N 1.266 122.503 121.223 0.023 0.000 1.989 133 L HA -0.219 4.122 4.340 0.000 0.000 0.211 133 L C 2.502 179.389 176.870 0.027 0.000 1.071 133 L CA 0.926 55.820 54.840 0.089 0.000 0.749 133 L CB -0.187 41.933 42.059 0.102 0.000 0.890 133 L HN 0.186 nan 8.230 nan 0.000 0.431 134 L N 0.466 121.670 121.223 -0.032 0.000 1.997 134 L HA -0.165 4.175 4.340 0.000 0.000 0.216 134 L C -0.542 176.292 176.870 -0.060 0.000 1.074 134 L CA 2.292 57.093 54.840 -0.066 0.000 0.763 134 L CB -1.806 40.218 42.059 -0.058 0.000 0.890 134 L HN 0.134 nan 8.230 nan 0.000 0.434 135 P HA -0.157 nan 4.420 nan 0.000 0.215 135 P C 1.330 178.624 177.300 -0.009 0.000 1.157 135 P CA 1.681 64.721 63.100 -0.099 0.000 0.868 135 P CB -0.246 31.328 31.700 -0.210 0.000 0.788 136 H N -0.609 118.494 119.070 0.055 0.000 2.353 136 H HA 0.013 4.569 4.556 0.000 0.000 0.300 136 H C 1.997 177.412 175.328 0.145 0.000 1.090 136 H CA 1.551 57.658 56.048 0.099 0.000 1.327 136 H CB -1.117 28.703 29.762 0.097 0.000 1.383 136 H HN 0.046 nan 8.280 nan 0.000 0.508 137 A N 1.583 124.525 122.820 0.203 0.000 1.883 137 A HA -0.138 4.182 4.320 0.000 0.000 0.217 137 A C 2.441 180.099 177.584 0.123 0.000 1.186 137 A CA 1.480 53.571 52.037 0.091 0.000 0.624 137 A CB -0.539 18.210 19.000 -0.419 0.000 0.822 137 A HN 0.209 nan 8.150 nan 0.000 0.444 138 I N -0.068 120.540 120.570 0.063 0.000 2.208 138 I HA -0.206 3.964 4.170 0.000 0.000 0.245 138 I C 2.414 178.619 176.117 0.146 0.000 1.097 138 I CA 1.974 63.321 61.300 0.078 0.000 1.363 138 I CB -1.503 36.519 38.000 0.036 0.000 1.051 138 I HN 0.412 nan 8.210 nan 0.000 0.413 139 E N 1.176 121.482 120.200 0.177 0.000 2.077 139 E HA -0.259 4.091 4.350 0.000 0.000 0.193 139 E C 2.138 178.891 176.600 0.255 0.000 0.989 139 E CA 1.339 57.860 56.400 0.201 0.000 0.800 139 E CB -0.521 29.314 29.700 0.225 0.000 0.746 139 E HN 0.357 nan 8.360 nan 0.000 0.452 140 F N 0.569 120.624 119.950 0.175 0.000 2.146 140 F HA -0.102 4.425 4.527 0.000 0.000 0.298 140 F C 1.831 177.758 175.800 0.212 0.000 1.096 140 F CA 1.008 59.129 58.000 0.202 0.000 1.275 140 F CB -0.293 38.847 39.000 0.234 0.000 1.008 140 F HN 0.037 nan 8.300 nan 0.000 0.480 141 I N 0.898 121.486 120.570 0.030 0.000 2.264 141 I HA -0.331 3.839 4.170 0.000 0.000 0.248 141 I C 1.951 178.090 176.117 0.037 0.000 1.111 141 I CA 1.496 62.798 61.300 0.004 0.000 1.382 141 I CB -1.727 36.386 38.000 0.187 0.000 1.060 141 I HN 0.337 nan 8.210 nan 0.000 0.418 142 N N -0.019 118.746 118.700 0.108 0.000 2.354 142 N HA -0.184 4.556 4.740 0.000 0.000 0.179 142 N C 1.850 177.338 175.510 -0.037 0.000 1.021 142 N CA 0.365 53.487 53.050 0.121 0.000 0.887 142 N CB 0.021 38.629 38.487 0.201 0.000 0.974 142 N HN 0.466 nan 8.380 nan 0.000 0.437 143 Q N 0.238 120.013 119.800 -0.041 0.000 2.046 143 Q HA -0.204 4.136 4.340 0.000 0.000 0.200 143 Q C 1.881 177.709 176.000 -0.288 0.000 0.975 143 Q CA 1.237 57.020 55.803 -0.034 0.000 0.836 143 Q CB -0.070 28.767 28.738 0.166 0.000 0.896 143 Q HN 0.421 nan 8.270 nan 0.000 0.428 144 Y N -0.059 119.812 120.300 -0.716 0.000 2.089 144 Y HA -0.283 4.267 4.550 0.000 0.000 0.282 144 Y C 1.595 176.768 175.900 -1.212 0.000 1.139 144 Y CA 1.917 59.234 58.100 -1.304 0.000 1.123 144 Y CB -0.648 37.058 38.460 -1.257 0.000 0.980 144 Y HN 0.170 nan 8.280 nan 0.000 0.493 145 Y N 0.109 119.909 120.300 -0.834 0.000 2.497 145 Y HA -0.020 4.530 4.550 0.000 0.000 0.292 145 Y C 2.557 178.156 175.900 -0.502 0.000 1.137 145 Y CA 1.180 58.869 58.100 -0.685 0.000 1.285 145 Y CB -0.705 37.247 38.460 -0.846 0.000 0.991 145 Y HN 0.270 nan 8.280 nan 0.000 0.556 146 G N -1.247 107.325 108.800 -0.379 0.000 2.464 146 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 146 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 146 G C 1.823 176.564 174.900 -0.265 0.000 1.138 146 G CA 0.864 45.845 45.100 -0.199 0.000 0.793 146 G HN 0.450 nan 8.290 nan 0.000 0.539 147 S N 0.299 115.683 115.700 -0.527 0.000 2.442 147 S HA 0.080 4.550 4.470 0.000 0.000 0.236 147 S C 0.714 175.094 174.600 -0.366 0.000 1.007 147 S CA -0.055 57.886 58.200 -0.432 0.000 0.965 147 S CB -0.458 62.406 63.200 -0.559 0.000 0.773 147 S HN 0.026 nan 8.310 nan 0.000 0.504 148 F N 3.018 122.794 119.950 -0.290 0.000 2.538 148 F HA 0.416 4.943 4.527 0.000 0.000 0.371 148 F C 0.887 176.621 175.800 -0.110 0.000 1.087 148 F CA -0.900 56.971 58.000 -0.214 0.000 1.250 148 F CB 0.367 39.213 39.000 -0.256 0.000 1.110 148 F HN -0.010 nan 8.300 nan 0.000 0.570 149 K N 4.620 125.101 120.400 0.135 0.000 2.298 149 K HA 0.083 4.403 4.320 0.000 0.000 0.280 149 K C -0.042 176.598 176.600 0.067 0.000 1.032 149 K CA -0.122 56.208 56.287 0.071 0.000 0.958 149 K CB 0.367 32.898 32.500 0.052 0.000 0.978 149 K HN 0.852 nan 8.250 nan 0.000 0.472 150 E N 1.220 121.445 120.200 0.043 0.000 5.041 150 E HA -0.207 4.143 4.350 0.000 0.000 0.185 150 E C -1.216 175.399 176.600 0.025 0.000 1.775 150 E CA 0.629 57.042 56.400 0.021 0.000 1.128 150 E CB -1.513 28.185 29.700 -0.002 0.000 1.025 150 E HN 0.619 nan 8.360 nan 0.000 0.332 151 A N 4.132 126.980 122.820 0.048 0.000 2.366 151 A HA 0.385 4.705 4.320 0.000 0.000 0.250 151 A C 0.251 177.850 177.584 0.025 0.000 1.099 151 A CA 0.324 52.407 52.037 0.078 0.000 0.794 151 A CB 0.487 19.549 19.000 0.103 0.000 1.056 151 A HN 0.558 nan 8.150 nan 0.000 0.499 152 K N 1.244 121.681 120.400 0.062 0.000 2.920 152 K HA 0.319 4.639 4.320 0.000 0.000 0.175 152 K C 0.176 176.800 176.600 0.040 0.000 1.099 152 K CA -0.127 56.170 56.287 0.018 0.000 0.939 152 K CB 0.670 33.155 32.500 -0.026 0.000 1.148 152 K HN 0.614 nan 8.250 nan 0.000 0.613 153 I N 1.570 122.162 120.570 0.036 0.000 2.091 153 I HA -0.406 3.764 4.170 0.000 0.000 0.239 153 I C 2.534 178.619 176.117 -0.054 0.000 1.061 153 I CA 1.528 62.837 61.300 0.015 0.000 1.317 153 I CB -0.279 37.714 38.000 -0.012 0.000 1.031 153 I HN 0.561 nan 8.210 nan 0.000 0.401 154 E N 2.052 122.221 120.200 -0.052 0.000 2.065 154 E HA -0.298 4.052 4.350 0.000 0.000 0.201 154 E C 1.703 178.251 176.600 -0.087 0.000 1.016 154 E CA 1.940 58.303 56.400 -0.063 0.000 0.818 154 E CB -0.948 28.727 29.700 -0.041 0.000 0.749 154 E HN 0.641 nan 8.360 nan 0.000 0.453 155 E N 0.072 120.220 120.200 -0.088 0.000 2.153 155 E HA -0.190 4.160 4.350 0.000 0.000 0.194 155 E C 2.253 178.615 176.600 -0.398 0.000 0.988 155 E CA 1.050 57.384 56.400 -0.111 0.000 0.811 155 E CB -0.414 29.304 29.700 0.031 0.000 0.746 155 E HN 0.596 nan 8.360 nan 0.000 0.466 156 H N 1.000 119.623 119.070 -0.746 0.000 2.270 156 H HA -0.087 4.469 4.556 0.000 0.000 0.299 156 H C 2.305 177.350 175.328 -0.472 0.000 1.077 156 H CA 1.156 56.570 56.048 -1.056 0.000 1.294 156 H CB 0.077 29.490 29.762 -0.581 0.000 1.371 156 H HN 0.036 nan 8.280 nan 0.000 0.491 157 L N 0.379 121.467 121.223 -0.225 0.000 2.046 157 L HA -0.175 4.165 4.340 0.000 0.000 0.208 157 L C 3.073 179.877 176.870 -0.109 0.000 1.077 157 L CA 0.894 55.618 54.840 -0.194 0.000 0.747 157 L CB -0.592 41.368 42.059 -0.166 0.000 0.896 157 L HN 0.403 nan 8.230 nan 0.000 0.432 158 A N 0.285 123.048 122.820 -0.095 0.000 1.892 158 A HA -0.286 4.034 4.320 0.000 0.000 0.218 158 A C 2.382 179.957 177.584 -0.014 0.000 1.188 158 A CA 2.170 54.180 52.037 -0.045 0.000 0.631 158 A CB -0.526 18.455 19.000 -0.031 0.000 0.822 158 A HN 0.301 nan 8.150 nan 0.000 0.447 159 R N -0.077 120.413 120.500 -0.017 0.000 2.066 159 R HA 0.021 4.361 4.340 0.000 0.000 0.232 159 R C 1.934 178.275 176.300 0.069 0.000 1.131 159 R CA 1.623 57.767 56.100 0.074 0.000 0.955 159 R CB -0.964 29.447 30.300 0.185 0.000 0.851 159 R HN 0.509 nan 8.270 nan 0.000 0.432 160 L N 0.373 121.621 121.223 0.041 0.000 2.043 160 L HA -0.195 4.145 4.340 0.000 0.000 0.212 160 L C 2.599 179.466 176.870 -0.004 0.000 1.075 160 L CA 2.085 56.939 54.840 0.023 0.000 0.752 160 L CB -0.539 41.508 42.059 -0.019 0.000 0.891 160 L HN 0.417 nan 8.230 nan 0.000 0.432 161 E N 0.118 120.310 120.200 -0.014 0.000 2.047 161 E HA -0.235 4.115 4.350 0.000 0.000 0.191 161 E C 2.244 178.848 176.600 0.006 0.000 0.987 161 E CA 1.120 57.512 56.400 -0.012 0.000 0.799 161 E CB -0.030 29.660 29.700 -0.018 0.000 0.752 161 E HN 0.449 nan 8.360 nan 0.000 0.449 162 A N 0.606 123.440 122.820 0.024 0.000 1.933 162 A HA -0.143 4.178 4.320 0.000 0.000 0.218 162 A C 2.389 180.007 177.584 0.056 0.000 1.175 162 A CA 1.454 53.518 52.037 0.044 0.000 0.628 162 A CB -0.647 18.390 19.000 0.062 0.000 0.814 162 A HN 0.237 nan 8.150 nan 0.000 0.444 163 V N -0.145 119.800 119.914 0.052 0.000 2.343 163 V HA -0.224 3.897 4.120 0.000 0.000 0.247 163 V C 2.751 178.830 176.094 -0.026 0.000 1.051 163 V CA 2.446 64.763 62.300 0.028 0.000 1.036 163 V CB -1.260 30.531 31.823 -0.052 0.000 0.654 163 V HN 0.639 nan 8.190 nan 0.000 0.451 164 T N -0.160 114.376 114.554 -0.030 0.000 2.674 164 T HA -0.168 4.182 4.350 0.000 0.000 0.265 164 T C 1.977 176.675 174.700 -0.004 0.000 1.039 164 T CA 1.177 63.258 62.100 -0.032 0.000 1.150 164 T CB -0.253 68.598 68.868 -0.028 0.000 0.864 164 T HN 0.337 nan 8.240 nan 0.000 0.427 165 K N 1.372 121.777 120.400 0.009 0.000 2.074 165 K HA -0.127 4.194 4.320 0.000 0.000 0.209 165 K C 2.228 178.848 176.600 0.032 0.000 1.048 165 K CA 1.317 57.615 56.287 0.018 0.000 0.926 165 K CB -0.519 31.994 32.500 0.021 0.000 0.713 165 K HN 0.521 nan 8.250 nan 0.000 0.444 166 E N 0.600 120.830 120.200 0.050 0.000 2.110 166 E HA -0.120 4.231 4.350 0.000 0.000 0.193 166 E C 2.056 178.704 176.600 0.080 0.000 0.988 166 E CA 0.746 57.192 56.400 0.077 0.000 0.804 166 E CB 0.012 29.786 29.700 0.123 0.000 0.745 166 E HN 0.257 nan 8.360 nan 0.000 0.458 167 I N 0.582 121.188 120.570 0.061 0.000 2.439 167 I HA -0.182 3.988 4.170 0.000 0.000 0.251 167 I C 2.065 178.204 176.117 0.037 0.000 1.139 167 I CA 0.869 62.202 61.300 0.056 0.000 1.438 167 I CB -0.109 37.896 38.000 0.009 0.000 1.085 167 I HN 0.110 nan 8.210 nan 0.000 0.427 168 E N 0.264 120.478 120.200 0.024 0.000 2.107 168 E HA -0.172 4.179 4.350 0.000 0.000 0.191 168 E C 2.138 178.752 176.600 0.025 0.000 0.982 168 E CA 1.865 58.276 56.400 0.018 0.000 0.809 168 E CB 0.021 29.727 29.700 0.011 0.000 0.756 168 E HN 0.552 nan 8.360 nan 0.000 0.459 169 T N -2.228 112.345 114.554 0.031 0.000 3.035 169 T HA -0.029 4.321 4.350 0.000 0.000 0.259 169 T C 2.006 176.729 174.700 0.038 0.000 1.078 169 T CA 1.233 63.352 62.100 0.032 0.000 1.132 169 T CB 0.072 68.959 68.868 0.032 0.000 0.900 169 T HN 0.178 nan 8.240 nan 0.000 0.480 170 T N -2.955 111.627 114.554 0.048 0.000 2.964 170 T HA 0.516 4.866 4.350 0.000 0.000 0.249 170 T C 1.847 176.579 174.700 0.052 0.000 1.000 170 T CA 0.774 62.904 62.100 0.051 0.000 0.992 170 T CB 0.011 68.915 68.868 0.060 0.000 1.087 170 T HN 0.971 nan 8.240 nan 0.000 0.489 171 G N 0.258 109.093 108.800 0.058 0.000 2.159 171 G HA2 -0.037 3.923 3.960 0.000 0.000 0.227 171 G HA3 -0.037 3.923 3.960 0.000 0.000 0.227 171 G C 0.140 175.087 174.900 0.078 0.000 0.986 171 G CA 0.445 45.579 45.100 0.056 0.000 0.651 171 G HN 1.093 nan 8.290 nan 0.000 0.523 172 T N -1.426 113.195 114.554 0.112 0.000 2.658 172 T HA 0.638 4.989 4.350 0.000 0.000 0.305 172 T C -1.637 173.226 174.700 0.272 0.000 1.551 172 T CA 0.445 62.652 62.100 0.177 0.000 0.985 172 T CB 1.098 70.020 68.868 0.090 0.000 1.731 172 T HN 1.667 nan 8.240 nan 0.000 0.486 173 Y N -0.214 120.105 120.300 0.032 0.000 2.644 173 Y HA 0.858 5.408 4.550 0.000 0.000 0.338 173 Y C -1.271 174.662 175.900 0.054 0.000 1.119 173 Y CA -1.243 56.888 58.100 0.051 0.000 1.060 173 Y CB 0.953 39.458 38.460 0.074 0.000 1.294 173 Y HN 0.458 nan 8.280 nan 0.000 0.472 174 Q N 2.022 121.817 119.800 -0.007 0.000 2.337 174 Q HA 0.500 4.840 4.340 0.000 0.000 0.266 174 Q C -1.034 174.940 176.000 -0.044 0.000 1.023 174 Q CA -0.767 54.985 55.803 -0.086 0.000 0.829 174 Q CB 2.986 31.730 28.738 0.010 0.000 1.306 174 Q HN 0.849 nan 8.270 nan 0.000 0.449 175 L N 1.711 122.893 121.223 -0.069 0.000 2.395 175 L HA 0.293 4.633 4.340 0.000 0.000 0.269 175 L C 1.131 178.020 176.870 0.032 0.000 1.133 175 L CA -0.398 54.459 54.840 0.028 0.000 0.812 175 L CB 0.741 42.828 42.059 0.046 0.000 1.125 175 L HN 0.680 nan 8.230 nan 0.000 0.452 176 T N -0.845 113.724 114.554 0.026 0.000 2.828 176 T HA 0.104 4.454 4.350 0.000 0.000 0.290 176 T C 0.960 175.648 174.700 -0.021 0.000 1.019 176 T CA -0.697 61.405 62.100 0.005 0.000 1.031 176 T CB 1.001 69.865 68.868 -0.007 0.000 1.001 176 T HN 0.457 nan 8.240 nan 0.000 0.531 177 L N 0.740 121.955 121.223 -0.013 0.000 2.012 177 L HA -0.009 4.331 4.340 0.000 0.000 0.210 177 L C 1.964 178.823 176.870 -0.018 0.000 1.073 177 L CA 1.973 56.799 54.840 -0.023 0.000 0.748 177 L CB -1.261 40.789 42.059 -0.014 0.000 0.891 177 L HN 0.751 nan 8.230 nan 0.000 0.431 178 D N -0.436 119.960 120.400 -0.006 0.000 2.178 178 D HA -0.176 4.464 4.640 0.000 0.000 0.201 178 D C 2.117 178.400 176.300 -0.029 0.000 0.980 178 D CA 1.373 55.395 54.000 0.035 0.000 0.842 178 D CB 0.026 40.893 40.800 0.111 0.000 0.948 178 D HN 0.543 nan 8.370 nan 0.000 0.472 179 E N -0.416 119.641 120.200 -0.239 0.000 2.158 179 E HA -0.082 4.268 4.350 0.000 0.000 0.191 179 E C 1.881 178.559 176.600 0.130 0.000 0.982 179 E CA 0.128 56.353 56.400 -0.292 0.000 0.823 179 E CB 0.047 29.552 29.700 -0.325 0.000 0.766 179 E HN 0.141 nan 8.360 nan 0.000 0.468 180 L N 1.066 122.306 121.223 0.029 0.000 2.056 180 L HA -0.092 4.248 4.340 0.000 0.000 0.207 180 L C 1.948 178.807 176.870 -0.018 0.000 1.078 180 L CA 1.413 56.231 54.840 -0.037 0.000 0.749 180 L CB -0.138 41.849 42.059 -0.121 0.000 0.901 180 L HN 0.082 nan 8.230 nan 0.000 0.433 181 I N -1.329 119.256 120.570 0.026 0.000 2.179 181 I HA -0.315 3.855 4.170 0.000 0.000 0.242 181 I C 2.347 178.548 176.117 0.140 0.000 1.088 181 I CA 1.626 62.953 61.300 0.044 0.000 1.357 181 I CB -0.471 37.561 38.000 0.053 0.000 1.051 181 I HN 0.291 nan 8.210 nan 0.000 0.409 182 F N 1.854 121.855 119.950 0.084 0.000 2.126 182 F HA -0.287 4.240 4.527 0.000 0.000 0.299 182 F C 2.443 178.334 175.800 0.152 0.000 1.096 182 F CA 1.481 59.572 58.000 0.152 0.000 1.255 182 F CB -0.410 38.725 39.000 0.226 0.000 0.997 182 F HN 0.021 nan 8.300 nan 0.000 0.479 183 A N 0.016 122.955 122.820 0.198 0.000 1.865 183 A HA -0.243 4.077 4.320 0.000 0.000 0.217 183 A C 2.305 179.786 177.584 -0.171 0.000 1.191 183 A CA 2.856 54.885 52.037 -0.012 0.000 0.623 183 A CB -1.715 17.240 19.000 -0.076 0.000 0.826 183 A HN 0.550 nan 8.150 nan 0.000 0.444 184 T N -1.709 112.776 114.554 -0.115 0.000 2.759 184 T HA -0.170 4.180 4.350 0.000 0.000 0.269 184 T C 1.799 176.519 174.700 0.032 0.000 1.042 184 T CA 1.736 63.798 62.100 -0.063 0.000 1.140 184 T CB -0.343 68.498 68.868 -0.044 0.000 0.864 184 T HN 0.549 nan 8.240 nan 0.000 0.455 185 K N 0.096 120.526 120.400 0.051 0.000 2.062 185 K HA 0.104 4.424 4.320 0.000 0.000 0.205 185 K C 2.552 179.180 176.600 0.046 0.000 1.051 185 K CA 1.151 57.559 56.287 0.201 0.000 0.941 185 K CB -0.225 32.430 32.500 0.258 0.000 0.719 185 K HN 0.232 nan 8.250 nan 0.000 0.440 186 M N 0.631 120.075 119.600 -0.260 0.000 2.117 186 M HA -0.100 4.380 4.480 0.000 0.000 0.262 186 M C 2.410 178.539 176.300 -0.284 0.000 1.065 186 M CA 1.431 56.484 55.300 -0.411 0.000 1.114 186 M CB -1.076 31.165 32.600 -0.597 0.000 1.361 186 M HN 0.158 nan 8.290 nan 0.000 0.408 187 A N -0.968 121.669 122.820 -0.305 0.000 1.972 187 A HA -0.207 4.113 4.320 0.000 0.000 0.219 187 A C 2.010 179.455 177.584 -0.231 0.000 1.169 187 A CA 1.311 53.060 52.037 -0.480 0.000 0.635 187 A CB -1.036 17.318 19.000 -1.077 0.000 0.810 187 A HN 0.676 nan 8.150 nan 0.000 0.446 188 W N 0.974 122.157 121.300 -0.195 0.000 2.379 188 W HA -0.067 4.593 4.660 0.000 0.000 0.307 188 W C 2.228 178.648 176.519 -0.165 0.000 1.200 188 W CA 1.326 58.609 57.345 -0.102 0.000 1.297 188 W CB -0.671 28.749 29.460 -0.066 0.000 1.140 188 W HN 0.308 nan 8.180 nan 0.000 0.507 189 R N -0.078 120.341 120.500 -0.135 0.000 2.117 189 R HA -0.181 4.159 4.340 0.000 0.000 0.243 189 R C 1.609 177.789 176.300 -0.199 0.000 1.143 189 R CA 1.809 57.694 56.100 -0.358 0.000 0.968 189 R CB -0.757 29.153 30.300 -0.649 0.000 0.863 189 R HN 0.384 nan 8.270 nan 0.000 0.444 190 N N 0.062 118.667 118.700 -0.159 0.000 2.383 190 N HA 0.075 4.815 4.740 0.000 0.000 0.192 190 N C -0.474 174.990 175.510 -0.077 0.000 1.141 190 N CA -0.398 52.599 53.050 -0.089 0.000 0.851 190 N CB 0.585 39.059 38.487 -0.023 0.000 0.976 190 N HN 0.103 nan 8.380 nan 0.000 0.465 191 A N 2.371 125.120 122.820 -0.118 0.000 2.437 191 A HA 0.181 4.501 4.320 0.000 0.000 0.303 191 A C -1.256 176.277 177.584 -0.085 0.000 1.324 191 A CA -1.319 50.605 52.037 -0.189 0.000 0.983 191 A CB 0.239 19.169 19.000 -0.116 0.000 1.142 191 A HN 0.082 nan 8.150 nan 0.000 0.541 192 P HA -0.138 nan 4.420 nan 0.000 0.225 192 P C 0.792 178.051 177.300 -0.068 0.000 1.148 192 P CA 0.975 64.040 63.100 -0.059 0.000 0.779 192 P CB 0.215 31.866 31.700 -0.082 0.000 0.780 193 R N -1.384 119.040 120.500 -0.127 0.000 2.334 193 R HA 0.159 4.500 4.340 0.000 0.000 0.220 193 R C 0.467 176.783 176.300 0.027 0.000 0.917 193 R CA -0.190 55.853 56.100 -0.095 0.000 1.073 193 R CB -0.266 29.744 30.300 -0.484 0.000 1.056 193 R HN 0.162 nan 8.270 nan 0.000 0.506 194 C N 0.544 119.834 119.300 -0.017 0.000 2.273 194 C HA 0.350 4.810 4.460 0.000 0.000 0.328 194 C C 1.658 176.625 174.990 -0.038 0.000 1.275 194 C CA -0.817 58.217 59.018 0.027 0.000 1.704 194 C CB -0.194 27.609 27.740 0.104 0.000 2.326 194 C HN 0.559 nan 8.230 nan 0.000 0.517 195 I N 4.046 124.574 120.570 -0.071 0.000 3.419 195 I HA 0.206 4.376 4.170 0.000 0.000 0.286 195 I C 1.806 177.975 176.117 0.087 0.000 1.268 195 I CA 0.964 62.169 61.300 -0.159 0.000 1.414 195 I CB 0.140 38.042 38.000 -0.164 0.000 1.074 195 I HN 0.905 nan 8.210 nan 0.000 0.457 196 G N 0.175 109.025 108.800 0.083 0.000 3.448 196 G HA2 0.060 4.020 3.960 0.000 0.000 0.261 196 G HA3 0.060 4.020 3.960 0.000 0.000 0.261 196 G C 1.137 176.013 174.900 -0.041 0.000 1.173 196 G CA -0.388 44.754 45.100 0.070 0.000 0.835 196 G HN 0.243 nan 8.290 nan 0.000 0.534 197 R N -0.155 120.241 120.500 -0.172 0.000 2.357 197 R HA 0.132 4.472 4.340 0.000 0.000 0.202 197 R C 1.775 177.508 176.300 -0.945 0.000 1.047 197 R CA 0.109 55.781 56.100 -0.713 0.000 1.034 197 R CB -0.104 29.813 30.300 -0.639 0.000 0.875 197 R HN 0.440 nan 8.270 nan 0.000 0.473 198 I N 0.717 120.961 120.570 -0.543 0.000 3.444 198 I HA -0.161 4.009 4.170 0.000 0.000 0.287 198 I C 1.081 177.046 176.117 -0.253 0.000 1.302 198 I CA 0.856 62.011 61.300 -0.242 0.000 1.368 198 I CB 0.205 38.203 38.000 -0.002 0.000 1.048 198 I HN 0.176 nan 8.210 nan 0.000 0.487 199 Q N 0.278 119.816 119.800 -0.436 0.000 2.282 199 Q HA -0.045 4.295 4.340 0.000 0.000 0.206 199 Q C 1.602 177.078 176.000 -0.873 0.000 0.878 199 Q CA 0.130 55.671 55.803 -0.437 0.000 0.944 199 Q CB -0.117 28.537 28.738 -0.140 0.000 1.100 199 Q HN 0.757 nan 8.270 nan 0.000 0.509 200 W N 0.756 121.222 121.300 -1.390 0.000 2.303 200 W HA -0.253 4.407 4.660 0.000 0.000 0.287 200 W C 1.323 177.600 176.519 -0.403 0.000 1.213 200 W CA 1.397 57.943 57.345 -1.331 0.000 1.203 200 W CB -1.261 27.635 29.460 -0.941 0.000 1.136 200 W HN 0.131 nan 8.180 nan 0.000 0.547 201 S N 1.285 116.260 115.700 -1.209 0.000 2.453 201 S HA -0.079 4.391 4.470 0.000 0.000 0.231 201 S C 0.546 174.932 174.600 -0.357 0.000 1.005 201 S CA 0.465 58.077 58.200 -0.980 0.000 0.949 201 S CB -0.792 61.720 63.200 -1.147 0.000 0.774 201 S HN 0.416 nan 8.310 nan 0.000 0.510 202 N N 1.370 119.951 118.700 -0.198 0.000 2.801 202 N HA 0.452 5.192 4.740 0.000 0.000 0.235 202 N C -1.574 174.025 175.510 0.149 0.000 1.069 202 N CA -0.324 52.722 53.050 -0.007 0.000 0.946 202 N CB 1.122 39.629 38.487 0.034 0.000 1.212 202 N HN 0.205 nan 8.380 nan 0.000 0.509 203 L N 2.041 123.322 121.223 0.097 0.000 2.438 203 L HA 0.317 4.657 4.340 0.000 0.000 0.270 203 L C -0.905 175.918 176.870 -0.080 0.000 0.972 203 L CA -0.757 54.122 54.840 0.066 0.000 0.831 203 L CB 1.918 44.060 42.059 0.138 0.000 1.273 203 L HN 0.303 nan 8.230 nan 0.000 0.405 204 Q N 3.272 122.964 119.800 -0.179 0.000 2.267 204 Q HA 0.605 4.945 4.340 0.000 0.000 0.255 204 Q C -1.698 173.934 176.000 -0.614 0.000 0.923 204 Q CA -0.183 55.363 55.803 -0.429 0.000 0.925 204 Q CB 1.489 29.872 28.738 -0.590 0.000 1.195 204 Q HN 0.509 nan 8.270 nan 0.000 0.417 205 V N 5.768 125.322 119.914 -0.600 0.000 2.384 205 V HA 0.434 4.554 4.120 0.000 0.000 0.287 205 V C -0.914 174.821 176.094 -0.598 0.000 1.020 205 V CA -0.602 61.390 62.300 -0.514 0.000 0.850 205 V CB 0.673 32.331 31.823 -0.276 0.000 0.987 205 V HN 0.669 nan 8.190 nan 0.000 0.436 206 F N 2.624 122.382 119.950 -0.320 0.000 2.361 206 F HA 0.384 4.911 4.527 0.000 0.000 0.364 206 F C 0.524 176.120 175.800 -0.341 0.000 1.120 206 F CA -1.167 56.641 58.000 -0.320 0.000 1.102 206 F CB 0.999 39.786 39.000 -0.355 0.000 1.183 206 F HN 0.420 nan 8.300 nan 0.000 0.476 207 D N 3.181 123.526 120.400 -0.091 0.000 2.352 207 D HA 0.378 5.018 4.640 0.000 0.000 0.245 207 D C 0.194 176.346 176.300 -0.247 0.000 1.224 207 D CA 0.228 54.128 54.000 -0.166 0.000 0.879 207 D CB 1.158 41.900 40.800 -0.097 0.000 1.057 207 D HN 0.632 nan 8.370 nan 0.000 0.491 208 A N 4.548 127.120 122.820 -0.412 0.000 2.606 208 A HA 0.145 4.465 4.320 0.000 0.000 0.290 208 A C 1.608 179.056 177.584 -0.228 0.000 1.174 208 A CA -0.368 51.343 52.037 -0.544 0.000 0.958 208 A CB 0.121 18.431 19.000 -1.149 0.000 1.194 208 A HN 0.527 nan 8.150 nan 0.000 0.526 209 R N 0.510 120.922 120.500 -0.147 0.000 2.328 209 R HA -0.132 4.208 4.340 0.000 0.000 0.207 209 R C 1.144 177.409 176.300 -0.060 0.000 1.056 209 R CA 1.503 57.560 56.100 -0.071 0.000 1.016 209 R CB -0.136 30.160 30.300 -0.008 0.000 0.872 209 R HN 0.798 nan 8.270 nan 0.000 0.471 210 N N -0.606 118.078 118.700 -0.027 0.000 2.415 210 N HA -0.057 4.683 4.740 0.000 0.000 0.176 210 N C 0.678 176.226 175.510 0.063 0.000 1.042 210 N CA -0.080 52.983 53.050 0.022 0.000 0.902 210 N CB -0.246 38.269 38.487 0.047 0.000 0.986 210 N HN 0.016 nan 8.380 nan 0.000 0.447 211 C N 0.944 120.299 119.300 0.091 0.000 2.674 211 C HA 0.211 4.671 4.460 0.000 0.000 0.405 211 C C 1.592 176.701 174.990 0.199 0.000 1.285 211 C CA 0.790 59.931 59.018 0.205 0.000 1.845 211 C CB -0.234 27.712 27.740 0.343 0.000 2.689 211 C HN 0.699 nan 8.230 nan 0.000 0.643 212 S N 0.794 116.675 115.700 0.302 0.000 2.615 212 S HA 0.213 4.683 4.470 0.000 0.000 0.277 212 S C 0.060 174.829 174.600 0.281 0.000 1.068 212 S CA 0.391 58.809 58.200 0.362 0.000 1.315 212 S CB -0.157 63.164 63.200 0.202 0.000 1.193 212 S HN 1.171 nan 8.310 nan 0.000 0.656 213 T N -1.469 113.213 114.554 0.214 0.000 2.906 213 T HA 0.846 5.196 4.350 0.000 0.000 0.295 213 T C 1.190 175.934 174.700 0.073 0.000 1.075 213 T CA -0.171 61.991 62.100 0.103 0.000 1.005 213 T CB 1.477 70.401 68.868 0.093 0.000 1.136 213 T HN 0.248 nan 8.240 nan 0.000 0.498 214 A N 0.680 123.515 122.820 0.025 0.000 1.908 214 A HA -0.102 4.218 4.320 0.000 0.000 0.218 214 A C 2.280 179.808 177.584 -0.093 0.000 1.181 214 A CA 2.219 54.251 52.037 -0.008 0.000 0.627 214 A CB -1.227 17.858 19.000 0.142 0.000 0.818 214 A HN 0.903 nan 8.150 nan 0.000 0.445 215 Q N 0.125 119.974 119.800 0.081 0.000 2.181 215 Q HA -0.185 4.155 4.340 0.000 0.000 0.205 215 Q C 1.751 177.767 176.000 0.027 0.000 0.980 215 Q CA 2.291 58.142 55.803 0.079 0.000 0.862 215 Q CB -0.364 28.500 28.738 0.209 0.000 0.905 215 Q HN 0.760 nan 8.270 nan 0.000 0.429 216 E N -0.821 119.412 120.200 0.055 0.000 2.107 216 E HA -0.113 4.237 4.350 0.000 0.000 0.191 216 E C 1.971 178.653 176.600 0.138 0.000 0.982 216 E CA 1.040 57.486 56.400 0.076 0.000 0.809 216 E CB -0.071 29.721 29.700 0.154 0.000 0.756 216 E HN 0.442 nan 8.360 nan 0.000 0.459 217 M N -0.012 119.643 119.600 0.092 0.000 2.065 217 M HA -0.184 4.297 4.480 0.000 0.000 0.259 217 M C 2.192 178.533 176.300 0.070 0.000 1.069 217 M CA 1.389 56.715 55.300 0.043 0.000 1.110 217 M CB -0.333 32.109 32.600 -0.263 0.000 1.328 217 M HN 0.151 nan 8.290 nan 0.000 0.405 218 F N 1.236 120.984 119.950 -0.336 0.000 2.154 218 F HA -0.279 4.248 4.527 0.000 0.000 0.301 218 F C 2.236 177.933 175.800 -0.173 0.000 1.087 218 F CA 1.861 59.615 58.000 -0.410 0.000 1.274 218 F CB -0.448 37.971 39.000 -0.969 0.000 1.009 218 F HN 0.187 nan 8.300 nan 0.000 0.485 219 Q N -1.124 118.486 119.800 -0.316 0.000 2.049 219 Q HA -0.188 4.152 4.340 0.000 0.000 0.198 219 Q C 2.271 178.097 176.000 -0.289 0.000 0.971 219 Q CA 1.482 57.047 55.803 -0.395 0.000 0.833 219 Q CB -0.412 28.159 28.738 -0.277 0.000 0.896 219 Q HN 0.483 nan 8.270 nan 0.000 0.434 220 H N 0.378 119.396 119.070 -0.086 0.000 2.319 220 H HA -0.107 4.449 4.556 0.000 0.000 0.299 220 H C 2.112 177.402 175.328 -0.063 0.000 1.092 220 H CA 1.336 57.350 56.048 -0.057 0.000 1.302 220 H CB -0.128 29.711 29.762 0.129 0.000 1.373 220 H HN 0.254 nan 8.280 nan 0.000 0.497 221 I N -0.225 120.431 120.570 0.144 0.000 2.361 221 I HA -0.279 3.891 4.170 0.000 0.000 0.251 221 I C 2.643 178.720 176.117 -0.066 0.000 1.133 221 I CA 0.597 61.938 61.300 0.068 0.000 1.413 221 I CB -0.190 37.851 38.000 0.068 0.000 1.073 221 I HN 0.226 nan 8.210 nan 0.000 0.424 222 C N 0.217 119.383 119.300 -0.223 0.000 2.446 222 C HA -0.131 4.329 4.460 0.000 0.000 0.277 222 C C 2.987 177.891 174.990 -0.142 0.000 1.275 222 C CA 0.668 59.534 59.018 -0.253 0.000 1.727 222 C CB -1.042 26.420 27.740 -0.463 0.000 2.010 222 C HN 0.462 nan 8.230 nan 0.000 0.486 223 R N 0.098 120.495 120.500 -0.172 0.000 2.091 223 R HA -0.186 4.154 4.340 0.000 0.000 0.238 223 R C 2.141 178.362 176.300 -0.132 0.000 1.136 223 R CA 2.068 58.050 56.100 -0.197 0.000 0.959 223 R CB -0.762 29.335 30.300 -0.338 0.000 0.856 223 R HN 0.771 nan 8.270 nan 0.000 0.437 224 H N -0.107 118.830 119.070 -0.223 0.000 2.293 224 H HA -0.074 4.482 4.556 0.000 0.000 0.300 224 H C 2.262 177.648 175.328 0.095 0.000 1.082 224 H CA 2.011 58.039 56.048 -0.033 0.000 1.308 224 H CB -0.058 29.709 29.762 0.008 0.000 1.375 224 H HN 0.177 nan 8.280 nan 0.000 0.495 225 I N 0.259 120.934 120.570 0.174 0.000 2.208 225 I HA -0.267 3.903 4.170 0.000 0.000 0.245 225 I C 2.456 178.648 176.117 0.125 0.000 1.097 225 I CA 0.807 62.163 61.300 0.094 0.000 1.363 225 I CB -0.175 37.820 38.000 -0.008 0.000 1.051 225 I HN 0.333 nan 8.210 nan 0.000 0.413 226 L N 0.065 121.346 121.223 0.097 0.000 2.056 226 L HA -0.251 4.089 4.340 0.000 0.000 0.207 226 L C 2.476 179.424 176.870 0.129 0.000 1.078 226 L CA 1.858 56.746 54.840 0.081 0.000 0.749 226 L CB -0.874 41.208 42.059 0.038 0.000 0.901 226 L HN 0.250 nan 8.230 nan 0.000 0.433 227 Y N -0.039 120.314 120.300 0.089 0.000 2.163 227 Y HA -0.119 4.431 4.550 0.000 0.000 0.288 227 Y C 2.338 178.341 175.900 0.172 0.000 1.136 227 Y CA 1.771 59.959 58.100 0.146 0.000 1.147 227 Y CB -0.510 38.100 38.460 0.251 0.000 0.987 227 Y HN 0.214 nan 8.280 nan 0.000 0.509 228 A N -0.579 122.458 122.820 0.360 0.000 1.898 228 A HA -0.148 4.172 4.320 0.000 0.000 0.216 228 A C 2.202 179.859 177.584 0.121 0.000 1.181 228 A CA 2.180 54.378 52.037 0.268 0.000 0.620 228 A CB -1.323 17.926 19.000 0.416 0.000 0.819 228 A HN 0.508 nan 8.150 nan 0.000 0.442 229 T N -0.058 114.565 114.554 0.114 0.000 2.708 229 T HA -0.147 4.203 4.350 0.000 0.000 0.266 229 T C 1.149 175.865 174.700 0.027 0.000 1.037 229 T CA 1.416 63.566 62.100 0.084 0.000 1.146 229 T CB -0.450 68.463 68.868 0.073 0.000 0.865 229 T HN 0.647 nan 8.240 nan 0.000 0.435 230 N N 1.748 120.433 118.700 -0.026 0.000 2.716 230 N HA -0.273 4.467 4.740 0.000 0.000 0.250 230 N C 0.080 175.570 175.510 -0.034 0.000 1.033 230 N CA 0.942 53.949 53.050 -0.072 0.000 0.727 230 N CB -2.202 36.197 38.487 -0.147 0.000 0.950 230 N HN 0.668 nan 8.380 nan 0.000 0.541 231 N N -1.820 116.874 118.700 -0.010 0.000 2.725 231 N HA -0.253 4.488 4.740 0.000 0.000 0.249 231 N C 0.917 176.421 175.510 -0.010 0.000 1.103 231 N CA 1.272 54.317 53.050 -0.008 0.000 0.707 231 N CB -1.212 37.266 38.487 -0.015 0.000 1.043 231 N HN 1.061 nan 8.380 nan 0.000 0.553 232 G N 0.307 109.110 108.800 0.006 0.000 2.313 232 G HA2 -0.311 3.649 3.960 0.000 0.000 0.215 232 G HA3 -0.311 3.649 3.960 0.000 0.000 0.215 232 G C -0.002 174.907 174.900 0.015 0.000 1.023 232 G CA 0.264 45.370 45.100 0.011 0.000 0.626 232 G HN 0.572 nan 8.290 nan 0.000 0.503 233 N N 2.056 120.749 118.700 -0.013 0.000 3.178 233 N HA 0.314 5.054 4.740 0.000 0.000 0.300 233 N C 0.700 176.203 175.510 -0.011 0.000 1.242 233 N CA -0.716 52.312 53.050 -0.036 0.000 1.192 233 N CB -0.264 38.191 38.487 -0.054 0.000 1.463 233 N HN 0.267 nan 8.380 nan 0.000 0.539 234 I N 1.802 122.405 120.570 0.056 0.000 2.989 234 I HA -0.164 4.006 4.170 0.000 0.000 0.311 234 I C 0.761 177.019 176.117 0.235 0.000 1.221 234 I CA 1.145 62.548 61.300 0.171 0.000 1.449 234 I CB -0.296 37.901 38.000 0.329 0.000 1.325 234 I HN 0.404 nan 8.210 nan 0.000 0.557 235 R N 3.953 124.572 120.500 0.197 0.000 2.534 235 R HA 0.384 4.724 4.340 0.000 0.000 0.301 235 R C -0.361 176.102 176.300 0.271 0.000 0.961 235 R CA -0.628 55.602 56.100 0.216 0.000 0.871 235 R CB 1.861 32.140 30.300 -0.035 0.000 1.170 235 R HN 0.569 nan 8.270 nan 0.000 0.446 236 S N 1.575 117.421 115.700 0.242 0.000 2.531 236 S HA 0.483 4.954 4.470 0.000 0.000 0.279 236 S C -0.323 174.312 174.600 0.058 0.000 1.305 236 S CA -0.231 58.007 58.200 0.062 0.000 1.058 236 S CB 1.239 64.389 63.200 -0.082 0.000 0.899 236 S HN 0.697 nan 8.310 nan 0.000 0.493 237 A N 2.894 125.717 122.820 0.006 0.000 2.609 237 A HA 0.849 5.169 4.320 0.000 0.000 0.291 237 A C -1.330 176.163 177.584 -0.152 0.000 1.096 237 A CA -0.660 51.282 52.037 -0.158 0.000 0.684 237 A CB 1.206 20.085 19.000 -0.202 0.000 1.282 237 A HN 0.787 nan 8.150 nan 0.000 0.412 238 I N 0.303 120.702 120.570 -0.286 0.000 2.692 238 I HA 0.571 4.741 4.170 0.000 0.000 0.293 238 I C -1.140 174.883 176.117 -0.157 0.000 1.200 238 I CA -0.059 61.191 61.300 -0.084 0.000 1.036 238 I CB 2.382 40.336 38.000 -0.077 0.000 1.258 238 I HN 0.596 nan 8.210 nan 0.000 0.421 239 T N 6.400 120.944 114.554 -0.018 0.000 2.770 239 T HA 0.442 4.792 4.350 0.000 0.000 0.283 239 T C -0.684 173.799 174.700 -0.362 0.000 0.988 239 T CA -0.337 61.655 62.100 -0.179 0.000 0.957 239 T CB 1.385 70.173 68.868 -0.133 0.000 0.930 239 T HN 0.253 nan 8.240 nan 0.000 0.443 240 V N 5.408 125.065 119.914 -0.428 0.000 2.333 240 V HA 0.464 4.584 4.120 0.000 0.000 0.274 240 V C -0.362 175.481 176.094 -0.418 0.000 1.028 240 V CA -0.754 61.324 62.300 -0.372 0.000 0.851 240 V CB -0.054 31.535 31.823 -0.391 0.000 1.000 240 V HN 0.700 nan 8.190 nan 0.000 0.456 241 F N 5.137 125.057 119.950 -0.051 0.000 2.375 241 F HA 0.520 5.047 4.527 0.000 0.000 0.317 241 F C -1.804 173.930 175.800 -0.109 0.000 1.124 241 F CA -2.515 55.397 58.000 -0.146 0.000 1.050 241 F CB 0.226 39.156 39.000 -0.117 0.000 1.314 241 F HN 0.292 nan 8.300 nan 0.000 0.511 242 P HA -0.052 nan 4.420 nan 0.000 0.263 242 P C -0.916 176.352 177.300 -0.053 0.000 1.175 242 P CA 0.071 63.053 63.100 -0.197 0.000 0.761 242 P CB 0.168 31.540 31.700 -0.547 0.000 0.794 243 Q N 3.378 123.085 119.800 -0.156 0.000 2.492 243 Q HA 0.138 4.478 4.340 0.000 0.000 0.238 243 Q C 0.133 176.006 176.000 -0.212 0.000 1.045 243 Q CA -0.550 54.952 55.803 -0.502 0.000 0.934 243 Q CB 0.761 28.914 28.738 -0.976 0.000 1.276 243 Q HN 0.334 nan 8.270 nan 0.000 0.521 244 R N 0.601 120.976 120.500 -0.209 0.000 2.543 244 R HA 0.055 4.395 4.340 0.000 0.000 0.277 244 R C 0.033 176.298 176.300 -0.058 0.000 1.074 244 R CA 0.716 56.778 56.100 -0.062 0.000 1.076 244 R CB 0.619 30.884 30.300 -0.057 0.000 0.993 244 R HN 0.954 nan 8.270 nan 0.000 0.459 245 S N 2.002 117.713 115.700 0.017 0.000 3.026 245 S HA -0.023 4.447 4.470 0.000 0.000 0.169 245 S C 0.945 175.561 174.600 0.027 0.000 0.680 245 S CA 0.116 58.336 58.200 0.032 0.000 0.826 245 S CB -0.246 63.013 63.200 0.097 0.000 0.779 245 S HN 0.810 nan 8.310 nan 0.000 0.664 246 D N 0.849 121.276 120.400 0.045 0.000 2.347 246 D HA 0.201 4.841 4.640 0.000 0.000 0.213 246 D C 1.460 177.733 176.300 -0.045 0.000 0.985 246 D CA 1.061 55.061 54.000 0.000 0.000 0.879 246 D CB -0.403 40.396 40.800 -0.001 0.000 0.919 246 D HN 1.010 nan 8.370 nan 0.000 0.526 247 G N 0.914 109.690 108.800 -0.041 0.000 2.176 247 G HA2 -0.319 3.641 3.960 0.000 0.000 0.253 247 G HA3 -0.319 3.641 3.960 0.000 0.000 0.253 247 G C 0.985 175.822 174.900 -0.104 0.000 0.979 247 G CA 0.409 45.478 45.100 -0.052 0.000 0.641 247 G HN 0.462 nan 8.290 nan 0.000 0.530 248 K N -0.247 120.016 120.400 -0.230 0.000 2.355 248 K HA 0.208 4.528 4.320 0.000 0.000 0.198 248 K C 0.473 176.797 176.600 -0.461 0.000 1.039 248 K CA 0.044 56.109 56.287 -0.369 0.000 1.075 248 K CB 0.300 32.506 32.500 -0.490 0.000 0.870 248 K HN 0.484 nan 8.250 nan 0.000 0.540 249 H N 0.733 119.822 119.070 0.031 0.000 2.528 249 H HA 0.203 4.759 4.556 0.000 0.000 0.256 249 H C -0.857 174.525 175.328 0.091 0.000 1.204 249 H CA -0.683 55.389 56.048 0.041 0.000 0.955 249 H CB -0.009 29.795 29.762 0.070 0.000 1.817 249 H HN 0.004 nan 8.280 nan 0.000 0.579 250 D N 0.746 121.223 120.400 0.128 0.000 2.425 250 D HA 0.039 4.679 4.640 0.000 0.000 0.247 250 D C 0.109 176.499 176.300 0.150 0.000 1.147 250 D CA 0.290 54.390 54.000 0.167 0.000 0.879 250 D CB 0.551 41.413 40.800 0.103 0.000 1.179 250 D HN 0.045 nan 8.370 nan 0.000 0.456 251 F N 3.005 122.999 119.950 0.072 0.000 2.410 251 F HA 0.370 4.897 4.527 0.000 0.000 0.348 251 F C 1.006 176.842 175.800 0.060 0.000 1.106 251 F CA -0.110 57.910 58.000 0.034 0.000 1.163 251 F CB 0.739 39.746 39.000 0.011 0.000 1.129 251 F HN -0.087 nan 8.300 nan 0.000 0.516 252 R N 3.283 123.880 120.500 0.162 0.000 2.668 252 R HA 0.515 4.855 4.340 0.000 0.000 0.272 252 R C -1.915 174.522 176.300 0.228 0.000 1.019 252 R CA -1.132 55.089 56.100 0.203 0.000 0.894 252 R CB 2.094 32.534 30.300 0.233 0.000 1.228 252 R HN 0.445 nan 8.270 nan 0.000 0.460 253 L N 1.560 122.912 121.223 0.214 0.000 2.280 253 L HA 0.376 4.717 4.340 0.000 0.000 0.287 253 L C 0.544 177.605 176.870 0.318 0.000 1.023 253 L CA -0.142 54.823 54.840 0.208 0.000 0.819 253 L CB 0.937 43.052 42.059 0.094 0.000 1.212 253 L HN 0.586 nan 8.230 nan 0.000 0.420 254 W N 0.831 122.177 121.300 0.076 0.000 2.699 254 W HA 0.019 4.679 4.660 0.000 0.000 0.249 254 W C 0.642 177.178 176.519 0.029 0.000 1.280 254 W CA -0.406 57.068 57.345 0.215 0.000 1.345 254 W CB -0.944 28.759 29.460 0.405 0.000 1.128 254 W HN 0.495 nan 8.180 nan 0.000 0.642 255 N N -0.412 118.286 118.700 -0.002 0.000 2.503 255 N HA 0.065 4.805 4.740 0.000 0.000 0.267 255 N C 1.283 176.602 175.510 -0.318 0.000 1.214 255 N CA 0.712 53.457 53.050 -0.508 0.000 0.959 255 N CB 0.879 39.194 38.487 -0.287 0.000 1.142 255 N HN -0.143 nan 8.380 nan 0.000 0.455 256 S N -0.035 115.442 115.700 -0.373 0.000 2.486 256 S HA 0.068 4.539 4.470 0.000 0.000 0.220 256 S C 0.358 174.850 174.600 -0.179 0.000 1.011 256 S CA 0.233 58.320 58.200 -0.189 0.000 0.921 256 S CB 0.229 63.359 63.200 -0.116 0.000 0.785 256 S HN 0.657 nan 8.310 nan 0.000 0.517 257 Q N -0.488 119.180 119.800 -0.221 0.000 2.309 257 Q HA 0.430 4.770 4.340 0.000 0.000 0.273 257 Q C -0.366 175.480 176.000 -0.256 0.000 1.040 257 Q CA -0.653 55.021 55.803 -0.216 0.000 0.834 257 Q CB 1.666 30.319 28.738 -0.143 0.000 1.345 257 Q HN 0.073 nan 8.270 nan 0.000 0.414 258 L N 2.114 123.181 121.223 -0.260 0.000 2.021 258 L HA -0.072 4.268 4.340 0.000 0.000 0.215 258 L C 0.519 177.223 176.870 -0.277 0.000 1.074 258 L CA 1.968 56.665 54.840 -0.238 0.000 0.760 258 L CB -0.114 41.793 42.059 -0.254 0.000 0.889 258 L HN 0.548 nan 8.230 nan 0.000 0.433 259 I N -0.915 119.399 120.570 -0.428 0.000 2.418 259 I HA 0.349 4.519 4.170 0.000 0.000 0.287 259 I C 0.064 175.558 176.117 -1.038 0.000 1.008 259 I CA -0.348 60.554 61.300 -0.663 0.000 1.104 259 I CB 1.568 39.122 38.000 -0.743 0.000 1.264 259 I HN 0.030 nan 8.210 nan 0.000 0.438 260 R N 3.856 123.915 120.500 -0.735 0.000 2.739 260 R HA 0.547 4.887 4.340 0.000 0.000 0.271 260 R C -1.747 174.336 176.300 -0.362 0.000 1.010 260 R CA -0.873 54.898 56.100 -0.548 0.000 0.897 260 R CB 2.446 32.623 30.300 -0.206 0.000 1.236 260 R HN 0.299 nan 8.270 nan 0.000 0.466 261 Y N 0.148 120.467 120.300 0.033 0.000 2.352 261 Y HA 0.545 5.096 4.550 0.000 0.000 0.326 261 Y C 0.649 176.577 175.900 0.047 0.000 1.166 261 Y CA -0.690 57.466 58.100 0.093 0.000 1.182 261 Y CB 1.569 40.166 38.460 0.230 0.000 1.216 261 Y HN 0.650 nan 8.280 nan 0.000 0.474 262 A N 1.000 123.913 122.820 0.154 0.000 2.287 262 A HA 0.699 5.019 4.320 0.000 0.000 0.273 262 A C 0.328 177.723 177.584 -0.315 0.000 1.091 262 A CA 0.121 52.068 52.037 -0.150 0.000 0.817 262 A CB -0.061 18.771 19.000 -0.279 0.000 1.069 262 A HN 0.903 nan 8.150 nan 0.000 0.492 263 G N -0.327 108.219 108.800 -0.424 0.000 2.609 263 G HA2 0.573 4.533 3.960 0.000 0.000 0.308 263 G HA3 0.573 4.533 3.960 0.000 0.000 0.308 263 G C -1.445 173.224 174.900 -0.384 0.000 1.369 263 G CA -0.236 44.669 45.100 -0.324 0.000 0.958 263 G HN 0.485 nan 8.290 nan 0.000 0.499 264 Y N 0.405 120.749 120.300 0.073 0.000 2.341 264 Y HA 0.431 4.981 4.550 0.000 0.000 0.338 264 Y C 0.474 176.437 175.900 0.104 0.000 0.965 264 Y CA -0.949 57.226 58.100 0.124 0.000 1.108 264 Y CB 2.400 41.005 38.460 0.241 0.000 1.180 264 Y HN 0.485 nan 8.280 nan 0.000 0.458 265 Q N 4.502 124.444 119.800 0.238 0.000 2.441 265 Q HA 0.286 4.626 4.340 0.000 0.000 0.234 265 Q C -0.544 175.537 176.000 0.135 0.000 1.078 265 Q CA -0.726 55.161 55.803 0.140 0.000 0.907 265 Q CB 0.401 29.195 28.738 0.094 0.000 1.269 265 Q HN 0.584 nan 8.270 nan 0.000 0.502 266 M N 4.521 124.185 119.600 0.106 0.000 2.245 266 M HA 0.011 4.491 4.480 0.000 0.000 0.312 266 M C -1.272 175.029 176.300 0.001 0.000 1.070 266 M CA -1.750 53.569 55.300 0.031 0.000 1.162 266 M CB -0.592 32.010 32.600 0.003 0.000 1.448 266 M HN 0.453 nan 8.290 nan 0.000 0.446 267 P HA -0.191 nan 4.420 nan 0.000 0.215 267 P C 0.229 177.516 177.300 -0.021 0.000 1.157 267 P CA 1.604 64.683 63.100 -0.035 0.000 0.874 267 P CB -0.368 31.293 31.700 -0.064 0.000 0.790 268 D N -0.729 119.656 120.400 -0.025 0.000 2.644 268 D HA 0.048 4.688 4.640 0.000 0.000 0.252 268 D C 1.340 177.638 176.300 -0.004 0.000 1.254 268 D CA 0.568 54.558 54.000 -0.016 0.000 0.884 268 D CB -1.094 39.694 40.800 -0.020 0.000 1.034 268 D HN 0.290 nan 8.370 nan 0.000 0.473 269 G N 0.734 109.536 108.800 0.003 0.000 2.413 269 G HA2 -0.379 3.581 3.960 0.000 0.000 0.259 269 G HA3 -0.379 3.581 3.960 0.000 0.000 0.259 269 G C 0.790 175.700 174.900 0.016 0.000 1.003 269 G CA 1.040 46.148 45.100 0.012 0.000 0.629 269 G HN 0.501 nan 8.290 nan 0.000 0.548 270 T N 0.750 115.311 114.554 0.013 0.000 2.680 270 T HA 0.504 4.854 4.350 0.000 0.000 0.314 270 T C 0.639 175.356 174.700 0.028 0.000 1.045 270 T CA 0.594 62.703 62.100 0.015 0.000 1.025 270 T CB 0.985 69.859 68.868 0.009 0.000 1.000 270 T HN 0.371 nan 8.240 nan 0.000 0.535 271 I N 0.661 121.244 120.570 0.022 0.000 2.545 271 I HA 0.483 4.653 4.170 0.000 0.000 0.292 271 I C -0.038 176.090 176.117 0.017 0.000 1.040 271 I CA -0.820 60.498 61.300 0.030 0.000 1.068 271 I CB 2.190 40.192 38.000 0.003 0.000 1.251 271 I HN 0.378 nan 8.210 nan 0.000 0.424 272 R N 3.819 124.363 120.500 0.074 0.000 2.494 272 R HA 0.738 5.079 4.340 0.000 0.000 0.305 272 R C 0.146 176.459 176.300 0.021 0.000 0.959 272 R CA 0.362 56.504 56.100 0.069 0.000 0.864 272 R CB 1.739 32.149 30.300 0.183 0.000 1.159 272 R HN 0.919 nan 8.270 nan 0.000 0.446 273 G N 2.693 111.395 108.800 -0.163 0.000 2.513 273 G HA2 -0.246 3.714 3.960 0.000 0.000 0.227 273 G HA3 -0.246 3.714 3.960 0.000 0.000 0.227 273 G C -1.285 173.266 174.900 -0.582 0.000 1.176 273 G CA -0.005 44.939 45.100 -0.260 0.000 0.967 273 G HN 0.621 nan 8.290 nan 0.000 0.587 274 D N 1.636 121.902 120.400 -0.223 0.000 2.412 274 D HA 0.646 5.286 4.640 0.000 0.000 0.224 274 D C 1.450 177.725 176.300 -0.042 0.000 1.093 274 D CA 0.730 54.677 54.000 -0.088 0.000 0.850 274 D CB 0.858 41.901 40.800 0.405 0.000 1.046 274 D HN 0.917 nan 8.370 nan 0.000 0.507 275 A N 3.919 126.691 122.820 -0.081 0.000 1.986 275 A HA -0.175 4.145 4.320 0.000 0.000 0.220 275 A C 2.097 179.706 177.584 0.043 0.000 1.171 275 A CA 1.976 54.003 52.037 -0.016 0.000 0.640 275 A CB -0.448 18.546 19.000 -0.010 0.000 0.811 275 A HN 0.639 nan 8.150 nan 0.000 0.451 276 A N -0.521 122.354 122.820 0.091 0.000 2.024 276 A HA -0.083 4.238 4.320 0.000 0.000 0.220 276 A C 2.160 179.812 177.584 0.114 0.000 1.164 276 A CA 2.246 54.353 52.037 0.116 0.000 0.643 276 A CB -1.027 18.071 19.000 0.163 0.000 0.806 276 A HN 0.886 nan 8.150 nan 0.000 0.451 277 T N -3.081 111.535 114.554 0.104 0.000 3.105 277 T HA 0.348 4.698 4.350 0.000 0.000 0.253 277 T C 1.472 176.206 174.700 0.057 0.000 1.047 277 T CA 0.224 62.388 62.100 0.107 0.000 0.944 277 T CB -0.344 68.593 68.868 0.116 0.000 1.016 277 T HN 0.253 nan 8.240 nan 0.000 0.544 278 L N 0.962 122.202 121.223 0.029 0.000 2.010 278 L HA -0.248 4.092 4.340 0.000 0.000 0.219 278 L C 2.909 179.777 176.870 -0.004 0.000 1.077 278 L CA 2.465 57.308 54.840 0.005 0.000 0.773 278 L CB -0.510 41.564 42.059 0.026 0.000 0.892 278 L HN 0.442 nan 8.230 nan 0.000 0.436 279 E N -0.472 119.741 120.200 0.021 0.000 2.031 279 E HA -0.277 4.073 4.350 0.000 0.000 0.193 279 E C 2.149 178.658 176.600 -0.151 0.000 0.994 279 E CA 1.444 57.827 56.400 -0.029 0.000 0.800 279 E CB -0.195 29.537 29.700 0.054 0.000 0.752 279 E HN 0.360 nan 8.360 nan 0.000 0.447 280 F N 1.424 121.220 119.950 -0.256 0.000 2.171 280 F HA -0.171 4.356 4.527 0.000 0.000 0.300 280 F C 2.225 177.865 175.800 -0.266 0.000 1.090 280 F CA 1.863 59.645 58.000 -0.363 0.000 1.293 280 F CB -0.588 38.281 39.000 -0.219 0.000 1.013 280 F HN 0.000 nan 8.300 nan 0.000 0.486 281 T N -0.253 114.163 114.554 -0.231 0.000 2.652 281 T HA -0.288 4.062 4.350 0.000 0.000 0.267 281 T C 1.769 176.327 174.700 -0.237 0.000 1.039 281 T CA 1.739 63.661 62.100 -0.296 0.000 1.153 281 T CB -0.443 68.306 68.868 -0.198 0.000 0.863 281 T HN 0.225 nan 8.240 nan 0.000 0.428 282 Q N 0.548 120.256 119.800 -0.152 0.000 2.234 282 Q HA -0.054 4.286 4.340 0.000 0.000 0.206 282 Q C 2.021 177.921 176.000 -0.167 0.000 0.980 282 Q CA 1.023 56.772 55.803 -0.091 0.000 0.869 282 Q CB -0.629 28.076 28.738 -0.054 0.000 0.912 282 Q HN 0.448 nan 8.270 nan 0.000 0.436 283 L N -0.683 120.347 121.223 -0.322 0.000 2.005 283 L HA -0.140 4.200 4.340 0.000 0.000 0.207 283 L C 2.106 178.787 176.870 -0.315 0.000 1.072 283 L CA 1.806 56.444 54.840 -0.337 0.000 0.744 283 L CB -1.061 40.691 42.059 -0.512 0.000 0.895 283 L HN 0.348 nan 8.230 nan 0.000 0.433 284 C N -0.090 118.898 119.300 -0.520 0.000 2.403 284 C HA -0.190 4.270 4.460 0.000 0.000 0.277 284 C C 2.741 177.697 174.990 -0.056 0.000 1.248 284 C CA 1.067 59.843 59.018 -0.404 0.000 1.762 284 C CB -1.124 26.190 27.740 -0.710 0.000 2.014 284 C HN 0.595 nan 8.230 nan 0.000 0.486 285 I N 0.968 121.553 120.570 0.025 0.000 2.252 285 I HA -0.162 4.008 4.170 0.000 0.000 0.245 285 I C 1.969 178.092 176.117 0.010 0.000 1.102 285 I CA 1.494 62.859 61.300 0.108 0.000 1.385 285 I CB -0.677 37.386 38.000 0.106 0.000 1.064 285 I HN 0.287 nan 8.210 nan 0.000 0.414 286 D N 0.952 121.325 120.400 -0.045 0.000 2.309 286 D HA -0.072 4.568 4.640 0.000 0.000 0.212 286 D C 1.909 178.163 176.300 -0.076 0.000 0.968 286 D CA 1.058 55.017 54.000 -0.068 0.000 0.882 286 D CB -0.028 40.717 40.800 -0.092 0.000 0.918 286 D HN 0.360 nan 8.370 nan 0.000 0.503 287 L N -1.071 120.113 121.223 -0.065 0.000 2.628 287 L HA 0.282 4.622 4.340 0.000 0.000 0.229 287 L C 1.618 178.461 176.870 -0.044 0.000 1.137 287 L CA 0.250 55.052 54.840 -0.063 0.000 0.909 287 L CB 0.278 42.287 42.059 -0.083 0.000 1.137 287 L HN 0.126 nan 8.230 nan 0.000 0.470 288 G N -1.018 107.773 108.800 -0.015 0.000 2.436 288 G HA2 -0.299 3.662 3.960 0.000 0.000 0.204 288 G HA3 -0.299 3.662 3.960 0.000 0.000 0.204 288 G C 0.005 174.932 174.900 0.044 0.000 1.026 288 G CA -0.307 44.788 45.100 -0.008 0.000 0.658 288 G HN 0.233 nan 8.290 nan 0.000 0.499 289 W N 4.584 125.809 121.300 -0.124 0.000 2.480 289 W HA 0.429 5.089 4.660 0.000 0.000 0.337 289 W C 0.233 176.697 176.519 -0.092 0.000 1.201 289 W CA 0.641 57.920 57.345 -0.110 0.000 1.309 289 W CB 0.574 29.961 29.460 -0.122 0.000 1.168 289 W HN 0.034 nan 8.180 nan 0.000 0.566 290 K N 8.466 128.460 120.400 -0.676 0.000 2.262 290 K HA 0.206 4.526 4.320 0.000 0.000 0.282 290 K C -2.292 173.602 176.600 -1.176 0.000 1.066 290 K CA -1.946 53.936 56.287 -0.675 0.000 0.901 290 K CB 0.590 32.810 32.500 -0.465 0.000 1.089 290 K HN 0.299 nan 8.250 nan 0.000 0.476 291 P HA 0.209 nan 4.420 nan 0.000 0.273 291 P C -0.138 176.595 177.300 -0.944 0.000 1.319 291 P CA -0.263 62.276 63.100 -0.936 0.000 0.885 291 P CB 0.468 31.668 31.700 -0.834 0.000 1.015 292 R N 2.203 122.305 120.500 -0.664 0.000 2.357 292 R HA -0.016 4.324 4.340 0.000 0.000 0.202 292 R C 0.184 176.308 176.300 -0.293 0.000 1.047 292 R CA 0.126 56.020 56.100 -0.343 0.000 1.034 292 R CB -1.121 29.091 30.300 -0.146 0.000 0.875 292 R HN 0.411 nan 8.270 nan 0.000 0.473 293 Y N -1.363 118.502 120.300 -0.725 0.000 3.152 293 Y HA -0.287 4.263 4.550 0.000 0.000 0.212 293 Y C 1.033 176.799 175.900 -0.224 0.000 1.198 293 Y CA 0.679 58.225 58.100 -0.923 0.000 1.220 293 Y CB -1.969 36.130 38.460 -0.601 0.000 1.326 293 Y HN 0.245 nan 8.280 nan 0.000 0.562 294 G N -0.594 108.310 108.800 0.174 0.000 2.552 294 G HA2 0.501 4.461 3.960 0.000 0.000 0.318 294 G HA3 0.501 4.461 3.960 0.000 0.000 0.318 294 G C 0.618 175.638 174.900 0.200 0.000 1.240 294 G CA -0.744 44.468 45.100 0.186 0.000 1.002 294 G HN 0.288 nan 8.290 nan 0.000 0.493 295 R N -1.403 119.107 120.500 0.017 0.000 2.161 295 R HA 0.140 4.480 4.340 0.000 0.000 0.213 295 R C -0.078 175.825 176.300 -0.662 0.000 1.055 295 R CA 0.712 56.631 56.100 -0.301 0.000 0.996 295 R CB -0.028 30.003 30.300 -0.449 0.000 0.901 295 R HN 0.375 nan 8.270 nan 0.000 0.456 296 F N 0.678 120.619 119.950 -0.015 0.000 2.564 296 F HA 0.263 4.790 4.527 0.000 0.000 0.329 296 F C -1.035 174.710 175.800 -0.092 0.000 1.458 296 F CA -1.197 56.523 58.000 -0.466 0.000 1.117 296 F CB 0.842 39.386 39.000 -0.761 0.000 1.383 296 F HN -0.293 nan 8.300 nan 0.000 0.571 297 D N 1.775 122.365 120.400 0.317 0.000 2.347 297 D HA 0.202 4.842 4.640 0.000 0.000 0.235 297 D C 0.188 176.798 176.300 0.515 0.000 1.149 297 D CA 0.025 54.284 54.000 0.433 0.000 0.850 297 D CB 2.183 43.282 40.800 0.499 0.000 1.061 297 D HN -0.014 nan 8.370 nan 0.000 0.487 298 V N 3.850 124.044 119.914 0.466 0.000 2.540 298 V HA -0.051 4.069 4.120 0.000 0.000 0.297 298 V C 1.125 177.317 176.094 0.163 0.000 1.024 298 V CA -0.054 62.400 62.300 0.258 0.000 1.105 298 V CB 0.103 32.020 31.823 0.156 0.000 0.938 298 V HN 0.357 nan 8.190 nan 0.000 0.482 299 L N 8.236 129.445 121.223 -0.024 0.000 2.464 299 L HA 0.321 4.661 4.340 0.000 0.000 0.264 299 L C -1.690 175.034 176.870 -0.243 0.000 1.199 299 L CA -1.325 53.355 54.840 -0.267 0.000 0.818 299 L CB 0.723 42.675 42.059 -0.179 0.000 1.102 299 L HN 0.486 nan 8.230 nan 0.000 0.473 300 P HA 0.135 nan 4.420 nan 0.000 0.279 300 P C -1.020 176.237 177.300 -0.071 0.000 1.252 300 P CA -0.698 62.249 63.100 -0.256 0.000 0.811 300 P CB 1.194 32.605 31.700 -0.481 0.000 1.035 301 L N 2.142 123.393 121.223 0.046 0.000 2.331 301 L HA 0.159 4.499 4.340 0.000 0.000 0.278 301 L C 0.006 176.956 176.870 0.134 0.000 1.106 301 L CA -0.135 54.776 54.840 0.118 0.000 0.824 301 L CB 0.573 42.743 42.059 0.185 0.000 1.142 301 L HN 0.097 nan 8.230 nan 0.000 0.443 302 V N 6.614 126.630 119.914 0.170 0.000 2.266 302 V HA 0.341 4.461 4.120 0.000 0.000 0.271 302 V C 0.080 176.184 176.094 0.017 0.000 1.032 302 V CA -0.573 61.780 62.300 0.089 0.000 0.806 302 V CB 0.793 32.729 31.823 0.187 0.000 1.052 302 V HN 0.476 nan 8.190 nan 0.000 0.449 303 L N 4.020 125.243 121.223 0.000 0.000 2.307 303 L HA 0.617 4.957 4.340 0.000 0.000 0.282 303 L C 0.036 176.788 176.870 -0.198 0.000 1.051 303 L CA -0.291 54.509 54.840 -0.066 0.000 0.804 303 L CB 1.402 43.423 42.059 -0.063 0.000 1.197 303 L HN 0.569 nan 8.230 nan 0.000 0.431 304 Q N 2.782 122.459 119.800 -0.205 0.000 2.341 304 Q HA 0.673 5.013 4.340 0.000 0.000 0.268 304 Q C -1.369 174.436 176.000 -0.325 0.000 1.013 304 Q CA -0.603 55.048 55.803 -0.254 0.000 0.798 304 Q CB 1.961 30.639 28.738 -0.100 0.000 1.253 304 Q HN 0.791 nan 8.270 nan 0.000 0.457 305 A N 3.870 126.424 122.820 -0.443 0.000 2.318 305 A HA 0.429 4.749 4.320 0.000 0.000 0.324 305 A C -0.409 176.640 177.584 -0.891 0.000 1.170 305 A CA -0.323 51.158 52.037 -0.927 0.000 0.810 305 A CB 0.964 19.647 19.000 -0.528 0.000 1.198 305 A HN 1.011 nan 8.150 nan 0.000 0.484 306 D N 1.797 121.295 120.400 -1.504 0.000 2.803 306 D HA -0.087 4.553 4.640 0.000 0.000 0.233 306 D C 1.248 177.481 176.300 -0.111 0.000 1.182 306 D CA 2.389 56.114 54.000 -0.459 0.000 0.726 306 D CB -1.008 39.689 40.800 -0.171 0.000 0.987 306 D HN 2.003 nan 8.370 nan 0.000 0.412 307 G N 0.600 109.355 108.800 -0.075 0.000 2.280 307 G HA2 -0.377 3.583 3.960 0.000 0.000 0.282 307 G HA3 -0.377 3.583 3.960 0.000 0.000 0.282 307 G C 0.315 175.255 174.900 0.068 0.000 1.000 307 G CA 1.030 46.156 45.100 0.042 0.000 0.751 307 G HN 0.626 nan 8.290 nan 0.000 0.515 308 Q N -0.062 119.730 119.800 -0.014 0.000 2.205 308 Q HA 0.365 4.705 4.340 0.000 0.000 0.249 308 Q C -0.319 175.665 176.000 -0.026 0.000 0.948 308 Q CA -1.071 54.734 55.803 0.003 0.000 0.895 308 Q CB 0.891 29.601 28.738 -0.047 0.000 1.249 308 Q HN 0.245 nan 8.270 nan 0.000 0.458 309 D N 3.334 123.737 120.400 0.005 0.000 2.548 309 D HA -0.001 4.639 4.640 0.000 0.000 0.231 309 D C -2.078 174.029 176.300 -0.321 0.000 1.142 309 D CA -0.449 53.461 54.000 -0.150 0.000 0.866 309 D CB 0.111 40.953 40.800 0.069 0.000 1.190 309 D HN 0.214 nan 8.370 nan 0.000 0.469 310 P HA 0.080 nan 4.420 nan 0.000 0.271 310 P C -0.722 176.374 177.300 -0.341 0.000 1.216 310 P CA -0.106 62.602 63.100 -0.653 0.000 0.776 310 P CB 0.949 31.828 31.700 -1.368 0.000 0.881 311 E N 1.067 121.149 120.200 -0.197 0.000 2.187 311 E HA 0.341 4.691 4.350 0.000 0.000 0.268 311 E C -0.649 175.860 176.600 -0.153 0.000 0.896 311 E CA -1.223 55.077 56.400 -0.168 0.000 0.766 311 E CB 2.084 31.726 29.700 -0.097 0.000 1.142 311 E HN 0.183 nan 8.360 nan 0.000 0.408 312 V N 3.780 123.517 119.914 -0.295 0.000 2.455 312 V HA 0.208 4.328 4.120 0.000 0.000 0.273 312 V C -0.635 175.204 176.094 -0.424 0.000 1.045 312 V CA -0.059 62.105 62.300 -0.227 0.000 0.976 312 V CB -0.476 31.245 31.823 -0.170 0.000 0.993 312 V HN 0.497 nan 8.190 nan 0.000 0.475 313 F N 2.527 122.332 119.950 -0.241 0.000 2.460 313 F HA 0.451 4.978 4.527 0.000 0.000 0.341 313 F C 0.311 175.963 175.800 -0.246 0.000 1.130 313 F CA -0.898 56.842 58.000 -0.433 0.000 0.962 313 F CB 1.590 40.053 39.000 -0.895 0.000 1.171 313 F HN 0.446 nan 8.300 nan 0.000 0.436 314 E N 3.253 123.449 120.200 -0.007 0.000 2.384 314 E HA 0.256 4.606 4.350 0.000 0.000 0.266 314 E C -0.496 176.236 176.600 0.220 0.000 1.012 314 E CA 0.083 56.558 56.400 0.126 0.000 0.901 314 E CB 0.547 30.333 29.700 0.142 0.000 0.967 314 E HN 0.465 nan 8.360 nan 0.000 0.435 315 I N 6.783 127.494 120.570 0.236 0.000 2.441 315 I HA 0.177 4.347 4.170 0.000 0.000 0.287 315 I C -1.860 174.386 176.117 0.216 0.000 1.049 315 I CA -2.138 59.329 61.300 0.278 0.000 1.381 315 I CB 0.943 39.035 38.000 0.155 0.000 1.409 315 I HN 0.459 nan 8.210 nan 0.000 0.523 316 P HA 0.080 nan 4.420 nan 0.000 0.264 316 P C -2.048 175.314 177.300 0.103 0.000 1.229 316 P CA -0.882 62.307 63.100 0.149 0.000 0.780 316 P CB 0.189 31.961 31.700 0.120 0.000 0.808 317 P HA -0.242 nan 4.420 nan 0.000 0.217 317 P C 0.529 177.870 177.300 0.067 0.000 1.148 317 P CA 1.493 64.646 63.100 0.088 0.000 0.834 317 P CB -0.064 31.689 31.700 0.089 0.000 0.783 318 D N -1.003 119.433 120.400 0.059 0.000 2.182 318 D HA -0.132 4.508 4.640 0.000 0.000 0.201 318 D C 1.645 177.967 176.300 0.037 0.000 0.986 318 D CA 0.894 54.920 54.000 0.044 0.000 0.847 318 D CB -0.706 40.117 40.800 0.038 0.000 0.942 318 D HN 0.215 nan 8.370 nan 0.000 0.467 319 L N 0.310 121.556 121.223 0.038 0.000 2.492 319 L HA 0.082 4.422 4.340 0.000 0.000 0.223 319 L C 0.141 177.030 176.870 0.032 0.000 1.132 319 L CA 0.080 54.937 54.840 0.028 0.000 0.850 319 L CB 0.217 42.284 42.059 0.015 0.000 0.966 319 L HN -0.076 nan 8.230 nan 0.000 0.454 320 V N 2.112 122.051 119.914 0.041 0.000 2.334 320 V HA 0.148 4.268 4.120 0.000 0.000 0.267 320 V C 0.011 176.137 176.094 0.054 0.000 1.040 320 V CA -0.478 61.847 62.300 0.042 0.000 0.866 320 V CB 1.268 33.118 31.823 0.046 0.000 1.019 320 V HN 0.034 nan 8.190 nan 0.000 0.468 321 L N 5.872 127.129 121.223 0.056 0.000 2.305 321 L HA 0.539 4.879 4.340 0.000 0.000 0.281 321 L C 0.034 176.935 176.870 0.051 0.000 1.085 321 L CA 0.529 55.394 54.840 0.042 0.000 0.813 321 L CB 0.749 42.827 42.059 0.032 0.000 1.157 321 L HN 0.684 nan 8.230 nan 0.000 0.436 322 E N 3.385 123.597 120.200 0.019 0.000 2.288 322 E HA 0.562 4.912 4.350 0.000 0.000 0.268 322 E C -1.442 175.106 176.600 -0.086 0.000 0.885 322 E CA -1.001 55.406 56.400 0.011 0.000 0.767 322 E CB 2.498 32.239 29.700 0.069 0.000 1.220 322 E HN 0.388 nan 8.360 nan 0.000 0.427 323 V N 1.957 121.784 119.914 -0.145 0.000 2.370 323 V HA 0.263 4.384 4.120 0.000 0.000 0.283 323 V C 0.077 176.124 176.094 -0.079 0.000 1.023 323 V CA -0.810 61.353 62.300 -0.228 0.000 0.857 323 V CB 1.298 32.763 31.823 -0.598 0.000 0.985 323 V HN 0.817 nan 8.190 nan 0.000 0.443 324 T N 2.983 117.503 114.554 -0.057 0.000 2.832 324 T HA 0.586 4.937 4.350 0.000 0.000 0.296 324 T C -0.245 174.485 174.700 0.050 0.000 0.968 324 T CA -0.658 61.434 62.100 -0.013 0.000 1.107 324 T CB 0.886 69.748 68.868 -0.009 0.000 0.916 324 T HN 0.316 nan 8.240 nan 0.000 0.517 325 M N 3.700 123.368 119.600 0.114 0.000 2.162 325 M HA 0.322 4.802 4.480 0.000 0.000 0.356 325 M C 0.119 176.615 176.300 0.326 0.000 1.303 325 M CA -0.445 55.000 55.300 0.241 0.000 1.116 325 M CB -0.051 32.758 32.600 0.348 0.000 1.632 325 M HN 0.889 nan 8.290 nan 0.000 0.469 326 E N 2.040 122.402 120.200 0.270 0.000 2.366 326 E HA 0.364 4.715 4.350 0.000 0.000 0.278 326 E C -1.413 175.234 176.600 0.078 0.000 0.923 326 E CA -0.965 55.602 56.400 0.279 0.000 0.761 326 E CB 1.351 31.174 29.700 0.205 0.000 1.231 326 E HN 0.585 nan 8.360 nan 0.000 0.443 327 H N 3.217 122.198 119.070 -0.148 0.000 2.467 327 H HA 0.225 4.781 4.556 0.000 0.000 0.326 327 H C -1.744 173.375 175.328 -0.349 0.000 1.094 327 H CA -2.327 53.493 56.048 -0.381 0.000 1.253 327 H CB 1.929 31.400 29.762 -0.486 0.000 1.439 327 H HN 0.442 nan 8.280 nan 0.000 0.479 328 P HA -0.111 nan 4.420 nan 0.000 0.231 328 P C 0.342 177.542 177.300 -0.166 0.000 1.158 328 P CA 1.008 63.751 63.100 -0.595 0.000 0.763 328 P CB 0.687 31.823 31.700 -0.941 0.000 0.805 329 K N -1.580 118.870 120.400 0.083 0.000 2.485 329 K HA 0.127 4.447 4.320 0.000 0.000 0.200 329 K C 0.479 176.801 176.600 -0.464 0.000 1.352 329 K CA 0.444 56.584 56.287 -0.244 0.000 0.953 329 K CB -0.143 32.112 32.500 -0.409 0.000 1.387 329 K HN 0.175 nan 8.250 nan 0.000 0.512 330 Y N 3.352 123.375 120.300 -0.462 0.000 2.595 330 Y HA 0.169 4.719 4.550 0.000 0.000 0.347 330 Y C 1.037 176.599 175.900 -0.563 0.000 1.025 330 Y CA -0.409 57.250 58.100 -0.736 0.000 1.295 330 Y CB 0.772 38.315 38.460 -1.529 0.000 1.147 330 Y HN -0.061 nan 8.280 nan 0.000 0.515 331 E N 2.919 123.032 120.200 -0.145 0.000 2.516 331 E HA -0.145 4.205 4.350 0.000 0.000 0.199 331 E C 1.255 177.912 176.600 0.095 0.000 1.069 331 E CA 0.348 56.748 56.400 0.000 0.000 0.876 331 E CB -0.178 29.548 29.700 0.044 0.000 0.843 331 E HN 0.886 nan 8.360 nan 0.000 0.530 332 W N -1.199 120.211 121.300 0.183 0.000 3.256 332 W HA 0.122 4.782 4.660 0.000 0.000 0.269 332 W C 1.175 177.763 176.519 0.115 0.000 1.310 332 W CA -0.578 56.839 57.345 0.120 0.000 1.673 332 W CB -0.936 28.576 29.460 0.087 0.000 1.115 332 W HN -0.115 nan 8.180 nan 0.000 0.686 333 F N 2.921 122.770 119.950 -0.170 0.000 2.134 333 F HA -0.191 4.336 4.527 0.000 0.000 0.299 333 F C 2.547 178.389 175.800 0.070 0.000 1.097 333 F CA 2.377 60.312 58.000 -0.109 0.000 1.264 333 F CB -0.338 38.531 39.000 -0.218 0.000 1.001 333 F HN -0.143 nan 8.300 nan 0.000 0.479 334 Q N 0.069 119.987 119.800 0.198 0.000 2.135 334 Q HA -0.230 4.110 4.340 0.000 0.000 0.204 334 Q C 1.870 177.910 176.000 0.067 0.000 0.981 334 Q CA 1.890 57.772 55.803 0.132 0.000 0.856 334 Q CB -0.440 28.375 28.738 0.127 0.000 0.902 334 Q HN 0.503 nan 8.270 nan 0.000 0.425 335 E N 0.512 120.773 120.200 0.102 0.000 2.393 335 E HA -0.179 4.172 4.350 0.000 0.000 0.201 335 E C 1.573 178.192 176.600 0.032 0.000 1.025 335 E CA 0.627 57.078 56.400 0.085 0.000 0.856 335 E CB -0.156 29.624 29.700 0.134 0.000 0.771 335 E HN 0.435 nan 8.360 nan 0.000 0.526 336 L N -0.477 120.720 121.223 -0.043 0.000 2.395 336 L HA 0.046 4.386 4.340 0.000 0.000 0.218 336 L C 1.591 178.440 176.870 -0.036 0.000 1.130 336 L CA 0.466 55.244 54.840 -0.103 0.000 0.826 336 L CB -0.267 41.592 42.059 -0.333 0.000 0.941 336 L HN 0.226 nan 8.230 nan 0.000 0.451 337 G N 0.852 109.644 108.800 -0.013 0.000 2.198 337 G HA2 -0.281 3.679 3.960 0.000 0.000 0.260 337 G HA3 -0.281 3.679 3.960 0.000 0.000 0.260 337 G C 0.230 175.135 174.900 0.009 0.000 1.025 337 G CA 0.073 45.193 45.100 0.034 0.000 0.769 337 G HN 0.243 nan 8.290 nan 0.000 0.507 338 L N -0.739 120.434 121.223 -0.082 0.000 2.466 338 L HA 0.732 5.073 4.340 0.000 0.000 0.257 338 L C 0.791 177.514 176.870 -0.245 0.000 1.189 338 L CA 0.105 54.823 54.840 -0.203 0.000 0.813 338 L CB 1.130 42.996 42.059 -0.323 0.000 1.118 338 L HN 0.554 nan 8.230 nan 0.000 0.471 339 K N 0.072 120.254 120.400 -0.363 0.000 2.685 339 K HA 0.369 4.689 4.320 0.000 0.000 0.290 339 K C -2.177 174.479 176.600 0.093 0.000 1.018 339 K CA -1.064 55.132 56.287 -0.151 0.000 0.860 339 K CB 1.525 33.844 32.500 -0.303 0.000 1.498 339 K HN 0.615 nan 8.250 nan 0.000 0.390 340 W N 2.345 123.641 121.300 -0.008 0.000 3.118 340 W HA 0.382 5.042 4.660 0.000 0.000 0.328 340 W C -1.170 175.372 176.519 0.039 0.000 1.239 340 W CA -0.848 56.518 57.345 0.035 0.000 1.176 340 W CB 1.610 30.940 29.460 -0.218 0.000 1.433 340 W HN 0.688 nan 8.180 nan 0.000 0.562 341 Y N 0.928 121.098 120.300 -0.217 0.000 2.326 341 Y HA 0.499 5.049 4.550 0.000 0.000 0.333 341 Y C 0.826 176.881 175.900 0.259 0.000 1.240 341 Y CA 0.090 58.155 58.100 -0.058 0.000 1.365 341 Y CB 0.150 38.461 38.460 -0.248 0.000 1.289 341 Y HN 0.344 nan 8.280 nan 0.000 0.548 342 A N 2.244 125.277 122.820 0.355 0.000 2.123 342 A HA 0.133 4.453 4.320 0.000 0.000 0.214 342 A C 0.303 178.248 177.584 0.602 0.000 1.152 342 A CA 0.173 52.477 52.037 0.444 0.000 0.728 342 A CB -0.276 18.826 19.000 0.170 0.000 0.814 342 A HN 0.669 nan 8.150 nan 0.000 0.464 343 L N 1.702 123.241 121.223 0.527 0.000 2.294 343 L HA 0.455 4.795 4.340 0.000 0.000 0.283 343 L C -2.684 174.363 176.870 0.295 0.000 1.015 343 L CA -2.138 52.912 54.840 0.349 0.000 0.831 343 L CB 1.834 44.001 42.059 0.180 0.000 1.217 343 L HN -0.081 nan 8.230 nan 0.000 0.420 344 P HA 0.361 nan 4.420 nan 0.000 0.291 344 P C -1.424 175.790 177.300 -0.143 0.000 1.378 344 P CA -0.310 62.671 63.100 -0.199 0.000 0.853 344 P CB 1.370 32.556 31.700 -0.857 0.000 1.002 345 A N 4.579 127.313 122.820 -0.144 0.000 2.363 345 A HA 0.416 4.737 4.320 0.000 0.000 0.296 345 A C -0.148 177.215 177.584 -0.368 0.000 1.237 345 A CA -0.686 51.201 52.037 -0.251 0.000 0.773 345 A CB 0.924 19.765 19.000 -0.266 0.000 1.153 345 A HN 0.294 nan 8.150 nan 0.000 0.473 346 V N 2.175 121.744 119.914 -0.576 0.000 2.529 346 V HA 0.271 4.391 4.120 0.000 0.000 0.292 346 V C 1.310 176.969 176.094 -0.724 0.000 1.028 346 V CA 1.219 63.116 62.300 -0.671 0.000 1.074 346 V CB 0.939 32.203 31.823 -0.933 0.000 0.958 346 V HN 1.081 nan 8.190 nan 0.000 0.481 347 A N 4.084 126.657 122.820 -0.411 0.000 2.192 347 A HA 0.116 4.437 4.320 0.000 0.000 0.208 347 A C 1.336 178.820 177.584 -0.167 0.000 1.220 347 A CA 0.413 52.280 52.037 -0.283 0.000 0.900 347 A CB -0.103 18.779 19.000 -0.198 0.000 0.937 347 A HN 0.920 nan 8.150 nan 0.000 0.487 348 N N -1.473 117.139 118.700 -0.147 0.000 2.251 348 N HA 0.300 5.040 4.740 0.000 0.000 0.217 348 N C 0.110 175.619 175.510 -0.002 0.000 1.124 348 N CA -0.278 52.739 53.050 -0.055 0.000 0.843 348 N CB 0.093 38.546 38.487 -0.055 0.000 1.024 348 N HN 0.280 nan 8.380 nan 0.000 0.501 349 M N 1.697 121.280 119.600 -0.027 0.000 2.291 349 M HA 0.343 4.823 4.480 0.000 0.000 0.324 349 M C -0.740 175.656 176.300 0.160 0.000 1.148 349 M CA -0.593 54.750 55.300 0.072 0.000 1.104 349 M CB 1.586 34.231 32.600 0.075 0.000 1.483 349 M HN 0.227 nan 8.290 nan 0.000 0.467 350 L N 4.084 125.442 121.223 0.224 0.000 2.341 350 L HA 0.607 4.947 4.340 0.000 0.000 0.278 350 L C -1.671 175.407 176.870 0.346 0.000 1.005 350 L CA -1.117 53.883 54.840 0.265 0.000 0.818 350 L CB 1.300 43.485 42.059 0.210 0.000 1.259 350 L HN 0.691 nan 8.230 nan 0.000 0.418 351 L N 5.036 126.469 121.223 0.350 0.000 2.275 351 L HA 0.478 4.818 4.340 0.000 0.000 0.288 351 L C -0.492 176.530 176.870 0.253 0.000 1.046 351 L CA 0.350 55.336 54.840 0.244 0.000 0.805 351 L CB 1.150 43.319 42.059 0.184 0.000 1.193 351 L HN 0.641 nan 8.230 nan 0.000 0.426 352 E N 5.039 125.333 120.200 0.158 0.000 2.176 352 E HA 0.522 4.872 4.350 0.000 0.000 0.267 352 E C -1.969 174.638 176.600 0.011 0.000 0.893 352 E CA -0.450 56.040 56.400 0.149 0.000 0.761 352 E CB 1.913 31.783 29.700 0.283 0.000 1.133 352 E HN 0.527 nan 8.360 nan 0.000 0.409 353 V N 2.975 122.864 119.914 -0.041 0.000 2.817 353 V HA 0.529 4.650 4.120 0.000 0.000 0.303 353 V C 0.192 176.144 176.094 -0.237 0.000 1.151 353 V CA 0.431 62.572 62.300 -0.265 0.000 0.929 353 V CB 1.430 32.964 31.823 -0.483 0.000 1.030 353 V HN 0.867 nan 8.190 nan 0.000 0.427 354 G N 4.449 113.142 108.800 -0.177 0.000 2.412 354 G HA2 0.098 4.059 3.960 0.000 0.000 0.297 354 G HA3 0.098 4.059 3.960 0.000 0.000 0.297 354 G C 1.576 176.633 174.900 0.262 0.000 0.965 354 G CA 1.418 46.620 45.100 0.170 0.000 1.134 354 G HN 2.760 nan 8.290 nan 0.000 0.511 355 G N -1.723 107.155 108.800 0.130 0.000 2.284 355 G HA2 -0.294 3.666 3.960 0.000 0.000 0.261 355 G HA3 -0.294 3.666 3.960 0.000 0.000 0.261 355 G C 0.623 175.574 174.900 0.086 0.000 0.997 355 G CA 0.729 45.928 45.100 0.164 0.000 0.621 355 G HN 1.322 nan 8.290 nan 0.000 0.534 356 L N 0.591 121.836 121.223 0.036 0.000 2.375 356 L HA 0.637 4.977 4.340 0.000 0.000 0.271 356 L C 0.313 177.093 176.870 -0.148 0.000 1.107 356 L CA -0.444 54.318 54.840 -0.131 0.000 0.806 356 L CB 1.110 43.000 42.059 -0.282 0.000 1.146 356 L HN 0.206 nan 8.230 nan 0.000 0.447 357 E N 2.046 122.082 120.200 -0.273 0.000 2.224 357 E HA 0.394 4.744 4.350 0.000 0.000 0.265 357 E C -1.572 174.857 176.600 -0.284 0.000 0.878 357 E CA -0.413 55.901 56.400 -0.143 0.000 0.759 357 E CB 1.909 31.563 29.700 -0.076 0.000 1.164 357 E HN 0.260 nan 8.360 nan 0.000 0.414 358 F N 3.830 123.798 119.950 0.031 0.000 2.307 358 F HA 0.261 4.788 4.527 0.000 0.000 0.369 358 F C -1.486 174.377 175.800 0.106 0.000 1.076 358 F CA -2.161 55.873 58.000 0.057 0.000 1.149 358 F CB 1.273 40.296 39.000 0.038 0.000 1.410 358 F HN 0.349 nan 8.300 nan 0.000 0.481 359 P HA -0.034 nan 4.420 nan 0.000 0.239 359 P C -0.009 177.424 177.300 0.222 0.000 1.184 359 P CA 0.624 63.839 63.100 0.191 0.000 0.760 359 P CB 0.447 32.227 31.700 0.134 0.000 0.884 360 A N 0.314 123.313 122.820 0.300 0.000 2.457 360 A HA 0.536 4.856 4.320 0.000 0.000 0.283 360 A C -0.134 177.683 177.584 0.388 0.000 1.166 360 A CA -0.421 51.819 52.037 0.339 0.000 0.740 360 A CB 0.248 19.482 19.000 0.389 0.000 1.181 360 A HN 0.279 nan 8.150 nan 0.000 0.446 361 C N 0.855 120.311 119.300 0.260 0.000 3.079 361 C HA 0.452 4.912 4.460 0.000 0.000 0.246 361 C C -2.835 172.203 174.990 0.080 0.000 1.025 361 C CA -1.501 57.615 59.018 0.163 0.000 1.081 361 C CB -0.329 27.506 27.740 0.157 0.000 1.757 361 C HN 0.588 nan 8.230 nan 0.000 0.646 362 P HA 0.320 nan 4.420 nan 0.000 0.265 362 P C -0.556 176.716 177.300 -0.047 0.000 1.193 362 P CA 0.990 63.995 63.100 -0.159 0.000 0.765 362 P CB 0.551 32.184 31.700 -0.112 0.000 0.823 363 F N 0.603 120.477 119.950 -0.127 0.000 2.650 363 F HA 0.717 5.244 4.527 0.000 0.000 0.320 363 F C -0.710 174.983 175.800 -0.179 0.000 1.091 363 F CA -1.321 56.597 58.000 -0.136 0.000 0.962 363 F CB 1.553 40.313 39.000 -0.399 0.000 1.363 363 F HN 0.389 nan 8.300 nan 0.000 0.482 364 N N -0.388 118.423 118.700 0.186 0.000 2.484 364 N HA 0.650 5.390 4.740 0.000 0.000 0.269 364 N C -1.262 174.191 175.510 -0.095 0.000 1.237 364 N CA -0.413 52.665 53.050 0.046 0.000 0.838 364 N CB 1.894 40.427 38.487 0.077 0.000 1.593 364 N HN 1.093 nan 8.380 nan 0.000 0.485 365 G N -0.632 108.072 108.800 -0.161 0.000 3.264 365 G HA2 0.716 4.676 3.960 0.000 0.000 0.168 365 G HA3 0.716 4.676 3.960 0.000 0.000 0.168 365 G C -1.639 173.200 174.900 -0.102 0.000 1.145 365 G CA -0.716 44.188 45.100 -0.327 0.000 0.855 365 G HN 0.699 nan 8.290 nan 0.000 0.629 366 W N -1.944 119.370 121.300 0.023 0.000 2.929 366 W HA 0.810 5.470 4.660 0.000 0.000 0.345 366 W C -1.445 175.085 176.519 0.019 0.000 1.151 366 W CA -2.239 55.138 57.345 0.054 0.000 1.111 366 W CB 0.305 29.831 29.460 0.109 0.000 1.449 366 W HN 0.409 nan 8.180 nan 0.000 0.572 367 Y N 2.049 122.556 120.300 0.345 0.000 2.357 367 Y HA 0.297 4.848 4.550 0.000 0.000 0.340 367 Y C 0.668 176.629 175.900 0.102 0.000 1.260 367 Y CA -0.452 57.722 58.100 0.125 0.000 1.425 367 Y CB 1.103 39.531 38.460 -0.053 0.000 1.326 367 Y HN 0.408 nan 8.280 nan 0.000 0.580 368 M N 2.274 122.028 119.600 0.257 0.000 2.125 368 M HA 0.346 4.826 4.480 0.000 0.000 0.321 368 M C 1.027 177.320 176.300 -0.013 0.000 0.983 368 M CA -0.200 55.171 55.300 0.119 0.000 0.934 368 M CB 1.200 33.853 32.600 0.088 0.000 1.542 368 M HN 0.856 nan 8.290 nan 0.000 0.424 369 G N 2.140 110.886 108.800 -0.090 0.000 2.759 369 G HA2 -0.407 3.553 3.960 0.000 0.000 0.224 369 G HA3 -0.407 3.553 3.960 0.000 0.000 0.224 369 G C 1.147 175.905 174.900 -0.238 0.000 1.173 369 G CA 2.260 47.242 45.100 -0.196 0.000 0.770 369 G HN 0.879 nan 8.290 nan 0.000 0.626 370 T N -0.760 113.664 114.554 -0.217 0.000 2.778 370 T HA -0.107 4.243 4.350 0.000 0.000 0.269 370 T C 1.961 176.493 174.700 -0.279 0.000 1.050 370 T CA 1.850 63.770 62.100 -0.301 0.000 1.137 370 T CB -0.414 68.202 68.868 -0.421 0.000 0.860 370 T HN 0.604 nan 8.240 nan 0.000 0.468 371 E N 0.964 121.031 120.200 -0.221 0.000 2.085 371 E HA -0.075 4.275 4.350 0.000 0.000 0.194 371 E C 2.162 178.507 176.600 -0.424 0.000 0.994 371 E CA 1.547 57.825 56.400 -0.203 0.000 0.801 371 E CB -0.334 29.386 29.700 0.033 0.000 0.743 371 E HN 0.623 nan 8.360 nan 0.000 0.453 372 I N 0.217 120.398 120.570 -0.648 0.000 2.385 372 I HA -0.035 4.136 4.170 0.000 0.000 0.244 372 I C 2.629 178.209 176.117 -0.895 0.000 1.089 372 I CA 0.834 61.463 61.300 -1.119 0.000 1.410 372 I CB -0.549 36.677 38.000 -1.290 0.000 1.117 372 I HN 0.089 nan 8.210 nan 0.000 0.429 373 G N 0.809 109.330 108.800 -0.466 0.000 2.418 373 G HA2 -0.135 3.825 3.960 0.000 0.000 0.217 373 G HA3 -0.135 3.825 3.960 0.000 0.000 0.217 373 G C 1.604 176.456 174.900 -0.079 0.000 1.158 373 G CA 1.116 46.139 45.100 -0.128 0.000 0.771 373 G HN 0.227 nan 8.290 nan 0.000 0.545 374 V N 0.087 119.890 119.914 -0.186 0.000 2.490 374 V HA 0.084 4.204 4.120 0.000 0.000 0.238 374 V C 2.797 178.808 176.094 -0.138 0.000 1.056 374 V CA 0.889 63.103 62.300 -0.142 0.000 1.075 374 V CB -0.272 31.436 31.823 -0.193 0.000 0.746 374 V HN 0.100 nan 8.190 nan 0.000 0.479 375 R N 0.872 121.251 120.500 -0.201 0.000 2.056 375 R HA -0.052 4.289 4.340 0.000 0.000 0.227 375 R C 1.971 178.180 176.300 -0.151 0.000 1.149 375 R CA 1.603 57.604 56.100 -0.164 0.000 0.937 375 R CB -1.190 29.004 30.300 -0.177 0.000 0.835 375 R HN 0.481 nan 8.270 nan 0.000 0.430 376 D N 0.247 120.445 120.400 -0.337 0.000 2.144 376 D HA -0.123 4.517 4.640 0.000 0.000 0.199 376 D C 1.799 178.024 176.300 -0.127 0.000 0.984 376 D CA 1.103 54.855 54.000 -0.413 0.000 0.834 376 D CB -0.150 39.907 40.800 -1.239 0.000 0.955 376 D HN 0.115 nan 8.370 nan 0.000 0.465 377 F N 0.009 119.858 119.950 -0.168 0.000 2.446 377 F HA 0.073 4.600 4.527 0.000 0.000 0.292 377 F C 2.290 178.129 175.800 0.065 0.000 1.096 377 F CA -0.281 57.713 58.000 -0.010 0.000 1.438 377 F CB -0.481 38.495 39.000 -0.039 0.000 1.107 377 F HN 0.021 nan 8.300 nan 0.000 0.546 378 C N -1.310 118.106 119.300 0.192 0.000 2.791 378 C HA 0.179 4.639 4.460 0.000 0.000 0.288 378 C C 0.407 175.442 174.990 0.075 0.000 1.271 378 C CA -0.626 58.463 59.018 0.120 0.000 1.726 378 C CB -0.527 27.251 27.740 0.063 0.000 2.145 378 C HN 0.081 nan 8.230 nan 0.000 0.572 379 D N 1.996 122.430 120.400 0.057 0.000 2.493 379 D HA 0.035 4.676 4.640 0.000 0.000 0.240 379 D C 1.556 177.894 176.300 0.064 0.000 1.142 379 D CA 0.594 54.617 54.000 0.038 0.000 0.872 379 D CB 0.924 41.741 40.800 0.030 0.000 1.173 379 D HN 0.450 nan 8.370 nan 0.000 0.467 380 T N -0.091 114.489 114.554 0.044 0.000 2.881 380 T HA -0.248 4.102 4.350 0.000 0.000 0.270 380 T C 1.327 176.057 174.700 0.049 0.000 1.068 380 T CA 0.957 63.086 62.100 0.048 0.000 1.131 380 T CB -0.057 68.832 68.868 0.034 0.000 0.871 380 T HN 0.515 nan 8.240 nan 0.000 0.479 381 Q N 0.607 120.436 119.800 0.047 0.000 2.415 381 Q HA 0.136 4.476 4.340 0.000 0.000 0.206 381 Q C 0.814 176.853 176.000 0.066 0.000 0.946 381 Q CA 0.004 55.836 55.803 0.048 0.000 0.951 381 Q CB 0.129 28.893 28.738 0.044 0.000 1.026 381 Q HN 0.417 nan 8.270 nan 0.000 0.510 382 R N -0.428 120.129 120.500 0.096 0.000 3.096 382 R HA 0.239 4.579 4.340 0.000 0.000 0.138 382 R C 1.219 177.600 176.300 0.136 0.000 1.088 382 R CA -0.554 55.642 56.100 0.159 0.000 0.652 382 R CB -1.049 29.405 30.300 0.256 0.000 1.179 382 R HN 0.035 nan 8.270 nan 0.000 0.404 383 Y N 1.758 122.183 120.300 0.208 0.000 2.639 383 Y HA -0.088 4.462 4.550 0.000 0.000 0.297 383 Y C 0.652 176.639 175.900 0.145 0.000 1.151 383 Y CA 0.734 58.961 58.100 0.213 0.000 1.335 383 Y CB -0.738 37.943 38.460 0.368 0.000 0.994 383 Y HN 0.510 nan 8.280 nan 0.000 0.548 384 N N 1.065 119.904 118.700 0.232 0.000 2.696 384 N HA -0.240 4.500 4.740 0.000 0.000 0.271 384 N C 0.357 175.954 175.510 0.145 0.000 0.997 384 N CA 0.830 53.971 53.050 0.152 0.000 0.801 384 N CB -1.129 37.414 38.487 0.094 0.000 0.913 384 N HN 0.668 nan 8.380 nan 0.000 0.557 385 I N -2.676 117.993 120.570 0.165 0.000 3.928 385 I HA 0.170 4.340 4.170 0.000 0.000 0.335 385 I C 1.380 177.571 176.117 0.123 0.000 1.325 385 I CA -0.467 60.903 61.300 0.116 0.000 1.107 385 I CB -0.016 38.020 38.000 0.060 0.000 1.014 385 I HN 0.183 nan 8.210 nan 0.000 0.400 386 L N 1.724 123.037 121.223 0.150 0.000 2.046 386 L HA -0.141 4.199 4.340 0.000 0.000 0.208 386 L C 2.497 179.557 176.870 0.317 0.000 1.077 386 L CA 2.108 57.065 54.840 0.195 0.000 0.747 386 L CB -0.568 41.566 42.059 0.125 0.000 0.896 386 L HN 0.502 nan 8.230 nan 0.000 0.432 387 E N -0.834 119.533 120.200 0.279 0.000 2.072 387 E HA -0.293 4.057 4.350 0.000 0.000 0.191 387 E C 2.042 178.670 176.600 0.046 0.000 0.985 387 E CA 1.059 57.586 56.400 0.212 0.000 0.801 387 E CB -0.045 29.709 29.700 0.091 0.000 0.750 387 E HN 0.550 nan 8.360 nan 0.000 0.452 388 E N 0.201 120.426 120.200 0.042 0.000 2.070 388 E HA -0.200 4.150 4.350 0.000 0.000 0.197 388 E C 1.901 178.482 176.600 -0.031 0.000 1.004 388 E CA 2.009 58.399 56.400 -0.017 0.000 0.805 388 E CB -0.196 29.501 29.700 -0.005 0.000 0.744 388 E HN 0.210 nan 8.360 nan 0.000 0.451 389 V N 0.124 120.076 119.914 0.063 0.000 2.667 389 V HA -0.051 4.069 4.120 0.000 0.000 0.252 389 V C 2.238 178.395 176.094 0.105 0.000 1.065 389 V CA 1.534 63.915 62.300 0.134 0.000 1.083 389 V CB -0.768 31.202 31.823 0.245 0.000 0.692 389 V HN 0.482 nan 8.190 nan 0.000 0.468 390 G N 0.357 109.229 108.800 0.121 0.000 2.404 390 G HA2 -0.180 3.780 3.960 0.000 0.000 0.215 390 G HA3 -0.180 3.780 3.960 0.000 0.000 0.215 390 G C 1.737 176.552 174.900 -0.141 0.000 1.174 390 G CA 0.464 45.606 45.100 0.070 0.000 0.780 390 G HN 0.419 nan 8.290 nan 0.000 0.537 391 R N 0.160 120.534 120.500 -0.210 0.000 2.080 391 R HA -0.033 4.307 4.340 0.000 0.000 0.236 391 R C 2.684 178.802 176.300 -0.304 0.000 1.137 391 R CA 1.247 57.203 56.100 -0.240 0.000 0.943 391 R CB -0.398 29.777 30.300 -0.208 0.000 0.846 391 R HN 0.233 nan 8.270 nan 0.000 0.431 392 R N 0.191 120.424 120.500 -0.444 0.000 2.193 392 R HA -0.028 4.312 4.340 0.000 0.000 0.229 392 R C 1.967 177.808 176.300 -0.765 0.000 1.110 392 R CA 1.115 56.697 56.100 -0.863 0.000 0.988 392 R CB -0.077 29.297 30.300 -1.543 0.000 0.871 392 R HN 0.239 nan 8.270 nan 0.000 0.458 393 M N -0.673 118.725 119.600 -0.337 0.000 2.561 393 M HA 0.136 4.616 4.480 0.000 0.000 0.238 393 M C 0.534 176.801 176.300 -0.056 0.000 1.131 393 M CA 0.307 55.558 55.300 -0.081 0.000 1.046 393 M CB 0.900 33.511 32.600 0.019 0.000 1.532 393 M HN 0.315 nan 8.290 nan 0.000 0.497 394 G N 2.476 111.196 108.800 -0.134 0.000 2.350 394 G HA2 -0.232 3.728 3.960 0.000 0.000 0.298 394 G HA3 -0.232 3.728 3.960 0.000 0.000 0.298 394 G C -0.359 174.506 174.900 -0.059 0.000 1.037 394 G CA -0.001 45.040 45.100 -0.099 0.000 1.074 394 G HN 0.413 nan 8.290 nan 0.000 0.511 395 L N -1.237 119.936 121.223 -0.084 0.000 2.332 395 L HA 0.481 4.821 4.340 0.000 0.000 0.269 395 L C 0.947 177.723 176.870 -0.157 0.000 1.016 395 L CA -1.103 53.706 54.840 -0.050 0.000 0.809 395 L CB 1.090 43.178 42.059 0.047 0.000 1.280 395 L HN 0.185 nan 8.230 nan 0.000 0.447 396 E N 0.266 120.406 120.200 -0.100 0.000 2.323 396 E HA -0.015 4.335 4.350 0.000 0.000 0.313 396 E C 0.497 176.849 176.600 -0.414 0.000 1.236 396 E CA -0.139 56.181 56.400 -0.133 0.000 1.333 396 E CB -0.142 29.558 29.700 0.000 0.000 1.138 396 E HN 0.534 nan 8.360 nan 0.000 0.492 397 T N 0.122 114.246 114.554 -0.717 0.000 2.946 397 T HA -0.160 4.190 4.350 0.000 0.000 0.271 397 T C 0.791 175.009 174.700 -0.804 0.000 1.104 397 T CA 1.202 62.454 62.100 -1.414 0.000 1.114 397 T CB -0.165 68.055 68.868 -1.080 0.000 0.867 397 T HN 0.446 nan 8.240 nan 0.000 0.513 398 H N -0.266 118.605 119.070 -0.332 0.000 2.549 398 H HA 0.264 4.820 4.556 0.000 0.000 0.279 398 H C 0.175 175.507 175.328 0.006 0.000 1.018 398 H CA 0.198 56.179 56.048 -0.110 0.000 1.175 398 H CB 0.624 30.330 29.762 -0.093 0.000 1.485 398 H HN 0.072 nan 8.280 nan 0.000 0.543 399 T N 1.403 116.029 114.554 0.119 0.000 3.060 399 T HA 0.063 4.413 4.350 0.000 0.000 0.367 399 T C 1.075 175.954 174.700 0.298 0.000 1.229 399 T CA -0.348 61.854 62.100 0.169 0.000 1.104 399 T CB 0.764 69.706 68.868 0.123 0.000 1.083 399 T HN 0.107 nan 8.240 nan 0.000 0.524 400 L N 3.037 124.427 121.223 0.278 0.000 2.137 400 L HA -0.104 4.236 4.340 0.000 0.000 0.213 400 L C 2.312 179.264 176.870 0.138 0.000 1.085 400 L CA 1.934 56.920 54.840 0.244 0.000 0.760 400 L CB -0.403 41.736 42.059 0.132 0.000 0.893 400 L HN 0.677 nan 8.230 nan 0.000 0.434 401 A N -1.722 121.174 122.820 0.126 0.000 2.167 401 A HA -0.053 4.267 4.320 0.000 0.000 0.214 401 A C 2.291 179.934 177.584 0.098 0.000 1.151 401 A CA 0.977 53.064 52.037 0.083 0.000 0.735 401 A CB -0.732 18.308 19.000 0.067 0.000 0.802 401 A HN 0.605 nan 8.150 nan 0.000 0.467 402 S N -0.529 115.271 115.700 0.167 0.000 2.555 402 S HA 0.087 4.558 4.470 0.000 0.000 0.230 402 S C 0.869 175.558 174.600 0.147 0.000 0.978 402 S CA 0.719 59.019 58.200 0.166 0.000 0.934 402 S CB -0.693 62.637 63.200 0.217 0.000 0.766 402 S HN 0.786 nan 8.310 nan 0.000 0.533 403 L N 0.068 121.347 121.223 0.093 0.000 4.089 403 L HA -0.167 4.173 4.340 0.000 0.000 0.408 403 L C 1.625 178.498 176.870 0.006 0.000 1.184 403 L CA 0.761 55.596 54.840 -0.007 0.000 0.947 403 L CB -2.457 39.610 42.059 0.014 0.000 2.066 403 L HN 0.767 nan 8.230 nan 0.000 0.851 404 W N 0.156 121.467 121.300 0.017 0.000 2.374 404 W HA -0.141 4.519 4.660 0.000 0.000 0.288 404 W C 1.646 178.177 176.519 0.019 0.000 1.218 404 W CA 1.258 58.614 57.345 0.018 0.000 1.245 404 W CB -0.698 28.769 29.460 0.012 0.000 1.126 404 W HN 0.271 nan 8.180 nan 0.000 0.545 405 K N 0.968 120.827 120.400 -0.902 0.000 2.097 405 K HA -0.158 4.162 4.320 0.000 0.000 0.206 405 K C 1.469 177.895 176.600 -0.289 0.000 1.049 405 K CA 2.201 57.994 56.287 -0.822 0.000 0.933 405 K CB -0.321 31.604 32.500 -0.958 0.000 0.717 405 K HN 0.027 nan 8.250 nan 0.000 0.442 406 D N 0.100 120.382 120.400 -0.196 0.000 2.144 406 D HA -0.097 4.544 4.640 0.000 0.000 0.199 406 D C 1.952 178.250 176.300 -0.004 0.000 0.984 406 D CA 0.879 54.832 54.000 -0.080 0.000 0.834 406 D CB 0.152 40.921 40.800 -0.050 0.000 0.955 406 D HN 0.058 nan 8.370 nan 0.000 0.465 407 R N 0.412 120.935 120.500 0.039 0.000 2.075 407 R HA 0.040 4.380 4.340 0.000 0.000 0.232 407 R C 2.177 178.546 176.300 0.115 0.000 1.126 407 R CA 1.097 57.256 56.100 0.097 0.000 0.963 407 R CB -0.449 29.936 30.300 0.142 0.000 0.858 407 R HN 0.175 nan 8.270 nan 0.000 0.435 408 A N 0.764 123.667 122.820 0.137 0.000 1.841 408 A HA -0.123 4.197 4.320 0.000 0.000 0.214 408 A C 2.289 179.951 177.584 0.130 0.000 1.195 408 A CA 1.475 53.613 52.037 0.169 0.000 0.611 408 A CB -1.013 18.133 19.000 0.243 0.000 0.835 408 A HN 0.161 nan 8.150 nan 0.000 0.443 409 V N 0.070 120.024 119.914 0.066 0.000 2.453 409 V HA -0.253 3.867 4.120 0.000 0.000 0.252 409 V C 2.529 178.654 176.094 0.052 0.000 1.068 409 V CA 2.982 65.309 62.300 0.044 0.000 1.070 409 V CB -0.849 30.960 31.823 -0.023 0.000 0.664 409 V HN 0.664 nan 8.190 nan 0.000 0.461 410 T N -0.706 113.885 114.554 0.061 0.000 2.812 410 T HA -0.122 4.228 4.350 0.000 0.000 0.264 410 T C 1.783 176.536 174.700 0.088 0.000 1.042 410 T CA 1.463 63.607 62.100 0.073 0.000 1.140 410 T CB -0.180 68.737 68.868 0.083 0.000 0.870 410 T HN 0.441 nan 8.240 nan 0.000 0.445 411 E N 0.887 121.162 120.200 0.125 0.000 2.106 411 E HA 0.044 4.394 4.350 0.000 0.000 0.192 411 E C 1.981 178.632 176.600 0.086 0.000 0.984 411 E CA 0.606 57.112 56.400 0.177 0.000 0.806 411 E CB -0.365 29.440 29.700 0.174 0.000 0.750 411 E HN 0.513 nan 8.360 nan 0.000 0.458 412 I N 0.706 121.351 120.570 0.125 0.000 2.315 412 I HA -0.238 3.932 4.170 0.000 0.000 0.248 412 I C 1.854 177.993 176.117 0.036 0.000 1.117 412 I CA 0.690 62.076 61.300 0.143 0.000 1.404 412 I CB -0.252 37.908 38.000 0.268 0.000 1.071 412 I HN 0.089 nan 8.210 nan 0.000 0.419 413 N N 0.591 119.304 118.700 0.020 0.000 2.166 413 N HA -0.115 4.625 4.740 0.000 0.000 0.186 413 N C 1.946 177.428 175.510 -0.047 0.000 1.019 413 N CA 1.084 54.124 53.050 -0.017 0.000 0.856 413 N CB -0.179 38.309 38.487 0.002 0.000 0.993 413 N HN 0.156 nan 8.380 nan 0.000 0.426 414 V N 1.519 121.384 119.914 -0.081 0.000 2.427 414 V HA -0.165 3.955 4.120 0.000 0.000 0.248 414 V C 2.389 178.319 176.094 -0.273 0.000 1.051 414 V CA 1.673 63.875 62.300 -0.163 0.000 1.048 414 V CB -0.783 30.915 31.823 -0.208 0.000 0.666 414 V HN 0.265 nan 8.190 nan 0.000 0.456 415 A N -0.163 122.414 122.820 -0.404 0.000 1.858 415 A HA -0.164 4.156 4.320 0.000 0.000 0.216 415 A C 2.401 179.919 177.584 -0.110 0.000 1.190 415 A CA 2.112 53.873 52.037 -0.459 0.000 0.617 415 A CB -0.774 17.636 19.000 -0.983 0.000 0.827 415 A HN 0.306 nan 8.150 nan 0.000 0.443 416 V N 0.227 120.121 119.914 -0.033 0.000 2.252 416 V HA -0.312 3.809 4.120 0.000 0.000 0.249 416 V C 2.624 178.750 176.094 0.054 0.000 1.056 416 V CA 2.225 64.564 62.300 0.064 0.000 1.022 416 V CB -0.880 30.920 31.823 -0.040 0.000 0.641 416 V HN 0.572 nan 8.190 nan 0.000 0.445 417 L N -0.694 120.515 121.223 -0.024 0.000 2.017 417 L HA -0.232 4.108 4.340 0.000 0.000 0.208 417 L C 2.647 179.555 176.870 0.063 0.000 1.073 417 L CA 2.221 57.055 54.840 -0.009 0.000 0.745 417 L CB -1.017 41.033 42.059 -0.014 0.000 0.894 417 L HN 0.504 nan 8.230 nan 0.000 0.432 418 H N -0.087 118.946 119.070 -0.061 0.000 2.319 418 H HA -0.177 4.379 4.556 0.000 0.000 0.297 418 H C 2.280 177.606 175.328 -0.003 0.000 1.097 418 H CA 1.987 57.994 56.048 -0.067 0.000 1.285 418 H CB 0.285 29.945 29.762 -0.171 0.000 1.368 418 H HN 0.262 nan 8.280 nan 0.000 0.495 419 S N 0.111 115.768 115.700 -0.072 0.000 2.368 419 S HA -0.116 4.354 4.470 0.000 0.000 0.225 419 S C 1.945 176.529 174.600 -0.028 0.000 1.030 419 S CA 1.207 59.357 58.200 -0.084 0.000 0.999 419 S CB -0.429 62.819 63.200 0.079 0.000 0.844 419 S HN 0.294 nan 8.310 nan 0.000 0.459 420 F N 2.061 121.953 119.950 -0.098 0.000 2.113 420 F HA -0.084 4.443 4.527 0.000 0.000 0.297 420 F C 2.622 178.370 175.800 -0.086 0.000 1.103 420 F CA 1.091 59.052 58.000 -0.064 0.000 1.248 420 F CB -0.678 38.303 39.000 -0.033 0.000 0.999 420 F HN 0.225 nan 8.300 nan 0.000 0.475 421 Q N -0.278 119.571 119.800 0.083 0.000 2.119 421 Q HA -0.234 4.106 4.340 0.000 0.000 0.201 421 Q C 2.061 178.015 176.000 -0.077 0.000 0.972 421 Q CA 1.550 57.350 55.803 -0.004 0.000 0.847 421 Q CB -0.307 28.424 28.738 -0.013 0.000 0.903 421 Q HN 0.204 nan 8.270 nan 0.000 0.433 422 K N 1.311 121.608 120.400 -0.172 0.000 2.097 422 K HA -0.154 4.166 4.320 0.000 0.000 0.206 422 K C 1.450 177.971 176.600 -0.132 0.000 1.049 422 K CA 1.399 57.561 56.287 -0.208 0.000 0.933 422 K CB 0.184 32.453 32.500 -0.385 0.000 0.717 422 K HN 0.155 nan 8.250 nan 0.000 0.442 423 Q N 0.105 119.828 119.800 -0.128 0.000 2.246 423 Q HA 0.150 4.491 4.340 0.000 0.000 0.202 423 Q C -0.601 175.347 176.000 -0.087 0.000 0.883 423 Q CA -0.155 55.580 55.803 -0.113 0.000 0.952 423 Q CB 0.456 29.101 28.738 -0.155 0.000 1.078 423 Q HN 0.318 nan 8.270 nan 0.000 0.493 424 N N -0.069 118.592 118.700 -0.064 0.000 2.725 424 N HA -0.142 4.599 4.740 0.000 0.000 0.249 424 N C -1.037 174.459 175.510 -0.024 0.000 1.103 424 N CA 0.593 53.619 53.050 -0.041 0.000 0.707 424 N CB -1.429 37.033 38.487 -0.042 0.000 1.043 424 N HN 0.040 nan 8.380 nan 0.000 0.553 425 V N 1.135 121.047 119.914 -0.003 0.000 2.383 425 V HA 0.193 4.313 4.120 0.000 0.000 0.275 425 V C 1.027 177.245 176.094 0.206 0.000 1.036 425 V CA -0.517 61.822 62.300 0.065 0.000 0.889 425 V CB 1.744 33.521 31.823 -0.076 0.000 0.985 425 V HN 0.139 nan 8.190 nan 0.000 0.459 426 T N 6.876 121.497 114.554 0.111 0.000 2.866 426 T HA 0.313 4.664 4.350 0.000 0.000 0.293 426 T C -0.209 174.550 174.700 0.099 0.000 1.005 426 T CA 1.038 63.128 62.100 -0.016 0.000 1.162 426 T CB -0.090 68.661 68.868 -0.196 0.000 0.968 426 T HN 0.580 nan 8.240 nan 0.000 0.530 427 I N 2.555 123.109 120.570 -0.027 0.000 3.093 427 I HA 0.663 4.833 4.170 0.000 0.000 0.308 427 I C -1.594 174.501 176.117 -0.035 0.000 1.303 427 I CA -1.308 59.975 61.300 -0.029 0.000 0.975 427 I CB 2.219 40.098 38.000 -0.201 0.000 1.286 427 I HN 0.644 nan 8.210 nan 0.000 0.459 428 M N 4.383 124.011 119.600 0.046 0.000 2.324 428 M HA 0.371 4.851 4.480 0.000 0.000 0.288 428 M C -1.868 174.477 176.300 0.076 0.000 1.097 428 M CA -0.514 54.840 55.300 0.090 0.000 0.928 428 M CB 1.731 34.473 32.600 0.236 0.000 1.648 428 M HN 0.629 nan 8.290 nan 0.000 0.460 429 D N 2.577 123.018 120.400 0.068 0.000 2.339 429 D HA 0.097 4.737 4.640 0.000 0.000 0.245 429 D C 1.215 177.577 176.300 0.105 0.000 1.115 429 D CA -0.106 53.954 54.000 0.100 0.000 0.917 429 D CB 0.617 41.461 40.800 0.074 0.000 1.192 429 D HN 0.690 nan 8.370 nan 0.000 0.428 430 H N 0.991 120.020 119.070 -0.068 0.000 2.456 430 H HA -0.165 4.392 4.556 0.000 0.000 0.296 430 H C 1.018 176.261 175.328 -0.142 0.000 1.079 430 H CA 1.432 57.400 56.048 -0.134 0.000 1.322 430 H CB -0.666 28.957 29.762 -0.232 0.000 1.388 430 H HN 0.568 nan 8.280 nan 0.000 0.538 431 H N 0.927 119.793 119.070 -0.340 0.000 2.326 431 H HA -0.042 4.514 4.556 0.000 0.000 0.301 431 H C 1.967 177.264 175.328 -0.052 0.000 1.081 431 H CA 1.984 57.908 56.048 -0.207 0.000 1.334 431 H CB -0.267 29.343 29.762 -0.254 0.000 1.385 431 H HN 0.397 nan 8.280 nan 0.000 0.504 432 T N 1.179 115.789 114.554 0.094 0.000 2.788 432 T HA -0.097 4.253 4.350 0.000 0.000 0.268 432 T C 2.310 177.076 174.700 0.110 0.000 1.044 432 T CA 1.073 63.227 62.100 0.090 0.000 1.139 432 T CB -0.354 68.560 68.868 0.077 0.000 0.867 432 T HN 0.427 nan 8.240 nan 0.000 0.454 433 A N 1.416 124.302 122.820 0.110 0.000 1.877 433 A HA -0.091 4.229 4.320 0.000 0.000 0.216 433 A C 2.631 180.307 177.584 0.154 0.000 1.186 433 A CA 1.924 54.042 52.037 0.135 0.000 0.620 433 A CB -0.887 18.182 19.000 0.114 0.000 0.822 433 A HN 0.441 nan 8.150 nan 0.000 0.443 434 S N -0.771 115.001 115.700 0.120 0.000 2.356 434 S HA -0.171 4.299 4.470 0.000 0.000 0.223 434 S C 1.944 176.665 174.600 0.201 0.000 1.032 434 S CA 1.493 59.787 58.200 0.157 0.000 1.005 434 S CB -0.284 62.979 63.200 0.105 0.000 0.867 434 S HN 0.726 nan 8.310 nan 0.000 0.449 435 E N 1.223 121.513 120.200 0.150 0.000 2.058 435 E HA -0.176 4.174 4.350 0.000 0.000 0.194 435 E C 2.213 178.890 176.600 0.128 0.000 0.997 435 E CA 1.585 58.061 56.400 0.127 0.000 0.801 435 E CB -0.172 29.587 29.700 0.097 0.000 0.746 435 E HN 0.564 nan 8.360 nan 0.000 0.450 436 S N -0.581 115.206 115.700 0.145 0.000 2.428 436 S HA -0.146 4.324 4.470 0.000 0.000 0.230 436 S C 1.906 176.607 174.600 0.169 0.000 1.014 436 S CA 0.681 58.964 58.200 0.138 0.000 0.957 436 S CB -0.476 62.809 63.200 0.143 0.000 0.784 436 S HN 0.419 nan 8.310 nan 0.000 0.499 437 F N 2.215 122.223 119.950 0.096 0.000 2.186 437 F HA 0.119 4.646 4.527 0.000 0.000 0.299 437 F C 2.211 178.095 175.800 0.139 0.000 1.090 437 F CA 1.262 59.335 58.000 0.121 0.000 1.307 437 F CB -0.337 38.716 39.000 0.089 0.000 1.019 437 F HN 0.122 nan 8.300 nan 0.000 0.489 438 M N 0.034 119.669 119.600 0.057 0.000 2.213 438 M HA -0.175 4.305 4.480 0.000 0.000 0.263 438 M C 2.123 178.364 176.300 -0.098 0.000 1.062 438 M CA 1.413 56.691 55.300 -0.037 0.000 1.105 438 M CB -1.027 31.617 32.600 0.074 0.000 1.385 438 M HN 0.091 nan 8.290 nan 0.000 0.417 439 K N -0.498 119.881 120.400 -0.037 0.000 2.062 439 K HA -0.164 4.156 4.320 0.000 0.000 0.205 439 K C 1.986 178.550 176.600 -0.060 0.000 1.051 439 K CA 1.520 57.791 56.287 -0.026 0.000 0.941 439 K CB -0.503 32.010 32.500 0.022 0.000 0.719 439 K HN 0.334 nan 8.250 nan 0.000 0.440 440 H N -0.060 118.909 119.070 -0.169 0.000 2.319 440 H HA -0.096 4.460 4.556 0.000 0.000 0.299 440 H C 1.971 177.140 175.328 -0.265 0.000 1.092 440 H CA 2.525 58.458 56.048 -0.190 0.000 1.302 440 H CB -0.170 29.463 29.762 -0.215 0.000 1.373 440 H HN 0.245 nan 8.280 nan 0.000 0.497 441 M N -0.132 119.116 119.600 -0.586 0.000 2.149 441 M HA -0.231 4.249 4.480 0.000 0.000 0.261 441 M C 2.107 178.309 176.300 -0.163 0.000 1.064 441 M CA 1.951 56.970 55.300 -0.467 0.000 1.102 441 M CB -0.002 32.313 32.600 -0.475 0.000 1.369 441 M HN 0.441 nan 8.290 nan 0.000 0.408 442 Q N 0.041 119.748 119.800 -0.155 0.000 2.079 442 Q HA -0.152 4.189 4.340 0.000 0.000 0.200 442 Q C 1.749 177.714 176.000 -0.057 0.000 0.974 442 Q CA 1.695 57.454 55.803 -0.073 0.000 0.840 442 Q CB -0.201 28.493 28.738 -0.073 0.000 0.898 442 Q HN 0.579 nan 8.270 nan 0.000 0.430 443 N N 0.444 119.078 118.700 -0.110 0.000 2.166 443 N HA -0.151 4.589 4.740 0.000 0.000 0.186 443 N C 1.526 176.955 175.510 -0.135 0.000 1.019 443 N CA 0.994 53.990 53.050 -0.090 0.000 0.856 443 N CB -0.104 38.349 38.487 -0.056 0.000 0.993 443 N HN 0.230 nan 8.380 nan 0.000 0.426 444 E N 0.098 120.138 120.200 -0.266 0.000 2.150 444 E HA -0.098 4.252 4.350 0.000 0.000 0.193 444 E C 1.702 178.138 176.600 -0.273 0.000 0.985 444 E CA 0.628 56.833 56.400 -0.324 0.000 0.814 444 E CB -0.335 29.064 29.700 -0.502 0.000 0.752 444 E HN 0.490 nan 8.360 nan 0.000 0.466 445 Y N 0.859 121.057 120.300 -0.170 0.000 2.352 445 Y HA -0.071 4.479 4.550 0.000 0.000 0.292 445 Y C 2.443 178.290 175.900 -0.089 0.000 1.136 445 Y CA 1.099 59.133 58.100 -0.110 0.000 1.227 445 Y CB 0.087 38.483 38.460 -0.108 0.000 0.991 445 Y HN -0.036 nan 8.280 nan 0.000 0.545 446 R N -0.980 119.524 120.500 0.007 0.000 2.080 446 R HA 0.019 4.359 4.340 0.000 0.000 0.222 446 R C 2.466 178.742 176.300 -0.039 0.000 1.107 446 R CA 0.876 56.968 56.100 -0.012 0.000 0.980 446 R CB -0.401 29.892 30.300 -0.012 0.000 0.879 446 R HN 0.237 nan 8.270 nan 0.000 0.439 447 A N 1.893 124.673 122.820 -0.067 0.000 1.873 447 A HA -0.154 4.166 4.320 0.000 0.000 0.215 447 A C 1.702 179.233 177.584 -0.088 0.000 1.186 447 A CA 1.456 53.453 52.037 -0.067 0.000 0.616 447 A CB -0.136 18.820 19.000 -0.073 0.000 0.823 447 A HN 0.390 nan 8.150 nan 0.000 0.442 448 R N -2.529 117.885 120.500 -0.143 0.000 2.592 448 R HA 0.402 4.742 4.340 0.000 0.000 0.439 448 R C 0.670 176.864 176.300 -0.176 0.000 0.995 448 R CA 0.310 56.325 56.100 -0.142 0.000 1.141 448 R CB -0.727 29.480 30.300 -0.154 0.000 1.495 448 R HN 0.825 nan 8.270 nan 0.000 0.579 449 G N 0.186 108.869 108.800 -0.195 0.000 2.323 449 G HA2 -0.062 3.898 3.960 0.000 0.000 0.292 449 G HA3 -0.062 3.898 3.960 0.000 0.000 0.292 449 G C 0.225 174.857 174.900 -0.446 0.000 1.040 449 G CA 0.297 45.273 45.100 -0.207 0.000 0.942 449 G HN 0.947 nan 8.290 nan 0.000 0.506 450 G N -2.535 105.713 108.800 -0.919 0.000 2.361 450 G HA2 0.558 4.518 3.960 0.000 0.000 0.299 450 G HA3 0.558 4.518 3.960 0.000 0.000 0.299 450 G C -0.855 173.610 174.900 -0.725 0.000 1.544 450 G CA 0.226 44.741 45.100 -0.976 0.000 0.860 450 G HN 1.845 nan 8.290 nan 0.000 0.610 451 C N 2.815 121.905 119.300 -0.350 0.000 3.102 451 C HA 0.616 5.076 4.460 0.000 0.000 0.363 451 C C -2.537 172.408 174.990 -0.076 0.000 1.048 451 C CA -1.236 57.698 59.018 -0.140 0.000 1.330 451 C CB 0.906 28.632 27.740 -0.024 0.000 1.771 451 C HN 0.673 nan 8.230 nan 0.000 0.526 452 P HA 0.337 nan 4.420 nan 0.000 0.262 452 P C -0.528 176.643 177.300 -0.215 0.000 1.199 452 P CA 0.784 63.468 63.100 -0.693 0.000 0.763 452 P CB 0.865 32.029 31.700 -0.893 0.000 0.790 453 A N 2.972 125.724 122.820 -0.114 0.000 2.427 453 A HA 0.395 4.715 4.320 0.000 0.000 0.298 453 A C -0.872 176.735 177.584 0.039 0.000 1.036 453 A CA -0.568 51.501 52.037 0.054 0.000 0.701 453 A CB 1.195 20.352 19.000 0.262 0.000 1.250 453 A HN 0.430 nan 8.150 nan 0.000 0.412 454 D N 2.236 122.661 120.400 0.040 0.000 2.428 454 D HA 0.130 4.770 4.640 0.000 0.000 0.221 454 D C 0.809 177.225 176.300 0.193 0.000 1.123 454 D CA -0.468 53.601 54.000 0.116 0.000 0.869 454 D CB 0.391 41.245 40.800 0.090 0.000 1.032 454 D HN 0.617 nan 8.370 nan 0.000 0.506 455 W N 4.617 125.945 121.300 0.046 0.000 2.318 455 W HA -0.218 4.442 4.660 0.000 0.000 0.313 455 W C 1.770 178.322 176.519 0.054 0.000 1.221 455 W CA 1.246 58.607 57.345 0.026 0.000 1.266 455 W CB -0.096 29.358 29.460 -0.010 0.000 1.150 455 W HN 0.480 nan 8.180 nan 0.000 0.496 456 I N -1.044 119.811 120.570 0.476 0.000 2.423 456 I HA -0.297 3.873 4.170 0.000 0.000 0.254 456 I C 1.684 177.910 176.117 0.181 0.000 1.151 456 I CA 1.368 62.889 61.300 0.367 0.000 1.421 456 I CB -0.633 37.615 38.000 0.413 0.000 1.079 456 I HN 0.120 nan 8.210 nan 0.000 0.431 457 W N 0.080 121.363 121.300 -0.028 0.000 2.762 457 W HA 0.161 4.821 4.660 0.000 0.000 0.265 457 W C 2.192 178.601 176.519 -0.184 0.000 1.263 457 W CA 0.142 57.442 57.345 -0.074 0.000 1.411 457 W CB -0.242 29.205 29.460 -0.022 0.000 1.065 457 W HN -0.071 nan 8.180 nan 0.000 0.609 458 L N -0.180 121.001 121.223 -0.071 0.000 2.240 458 L HA -0.002 4.338 4.340 0.000 0.000 0.211 458 L C 0.627 177.289 176.870 -0.346 0.000 1.106 458 L CA 0.331 55.000 54.840 -0.286 0.000 0.793 458 L CB -0.820 40.961 42.059 -0.462 0.000 0.927 458 L HN -0.396 nan 8.230 nan 0.000 0.446 459 V N 1.376 121.008 119.914 -0.470 0.000 2.508 459 V HA 0.125 4.245 4.120 0.000 0.000 0.281 459 V C -1.827 174.090 176.094 -0.296 0.000 1.041 459 V CA -1.344 60.667 62.300 -0.482 0.000 1.016 459 V CB 0.509 31.812 31.823 -0.867 0.000 0.984 459 V HN 0.039 nan 8.190 nan 0.000 0.478 460 P HA 0.103 nan 4.420 nan 0.000 0.268 460 P C -1.897 175.284 177.300 -0.198 0.000 1.208 460 P CA -1.006 61.983 63.100 -0.186 0.000 0.777 460 P CB 0.031 31.662 31.700 -0.114 0.000 0.875 461 P HA -0.016 nan 4.420 nan 0.000 0.242 461 P C -0.303 176.892 177.300 -0.174 0.000 1.197 461 P CA 0.751 63.732 63.100 -0.198 0.000 0.765 461 P CB 0.126 31.697 31.700 -0.216 0.000 0.936 462 V N -6.579 113.220 119.914 -0.193 0.000 3.120 462 V HA 0.526 4.646 4.120 0.000 0.000 0.303 462 V C 0.291 176.340 176.094 -0.075 0.000 1.238 462 V CA -0.825 61.390 62.300 -0.141 0.000 1.008 462 V CB 1.305 33.023 31.823 -0.174 0.000 1.064 462 V HN -0.123 nan 8.190 nan 0.000 0.434 463 S N 0.708 116.397 115.700 -0.018 0.000 3.561 463 S HA -0.203 4.267 4.470 0.000 0.000 0.318 463 S C 1.585 176.163 174.600 -0.037 0.000 1.181 463 S CA 1.484 59.699 58.200 0.025 0.000 0.916 463 S CB -1.683 61.606 63.200 0.148 0.000 0.966 463 S HN 2.168 nan 8.310 nan 0.000 0.550 464 G N 2.601 111.349 108.800 -0.087 0.000 2.812 464 G HA2 -0.367 3.593 3.960 0.000 0.000 0.218 464 G HA3 -0.367 3.593 3.960 0.000 0.000 0.218 464 G C 1.477 176.192 174.900 -0.307 0.000 1.287 464 G CA 1.963 46.997 45.100 -0.109 0.000 0.796 464 G HN 1.415 nan 8.290 nan 0.000 0.649 465 S N 0.171 115.364 115.700 -0.845 0.000 2.537 465 S HA 0.043 4.513 4.470 0.000 0.000 0.240 465 S C 2.038 176.560 174.600 -0.129 0.000 0.981 465 S CA 0.844 58.441 58.200 -1.005 0.000 0.948 465 S CB -0.092 62.451 63.200 -1.096 0.000 0.759 465 S HN 0.229 nan 8.310 nan 0.000 0.531 466 I N 2.783 123.319 120.570 -0.057 0.000 3.111 466 I HA 0.045 4.215 4.170 0.000 0.000 0.272 466 I C 1.337 177.551 176.117 0.162 0.000 1.268 466 I CA 0.652 62.003 61.300 0.085 0.000 1.467 466 I CB -1.860 36.215 38.000 0.124 0.000 1.087 466 I HN 0.507 nan 8.210 nan 0.000 0.467 467 T N -1.234 113.404 114.554 0.140 0.000 2.929 467 T HA 0.357 4.707 4.350 0.000 0.000 0.284 467 T C -1.446 173.408 174.700 0.257 0.000 1.014 467 T CA -1.756 60.444 62.100 0.167 0.000 1.051 467 T CB 2.311 71.224 68.868 0.076 0.000 1.028 467 T HN -0.107 nan 8.240 nan 0.000 0.485 468 P HA -0.040 nan 4.420 nan 0.000 0.221 468 P C 1.691 179.185 177.300 0.323 0.000 1.150 468 P CA 0.426 63.712 63.100 0.310 0.000 0.800 468 P CB -0.129 31.695 31.700 0.206 0.000 0.787 469 V N -0.124 119.931 119.914 0.235 0.000 2.392 469 V HA -0.237 3.883 4.120 0.000 0.000 0.249 469 V C 2.408 178.594 176.094 0.154 0.000 1.059 469 V CA 1.790 64.199 62.300 0.181 0.000 1.051 469 V CB -1.562 30.293 31.823 0.052 0.000 0.658 469 V HN -0.017 nan 8.190 nan 0.000 0.455 470 F N 0.722 120.652 119.950 -0.033 0.000 2.161 470 F HA -0.210 4.317 4.527 0.000 0.000 0.300 470 F C 2.314 178.210 175.800 0.160 0.000 1.089 470 F CA 1.862 59.850 58.000 -0.019 0.000 1.282 470 F CB -0.271 38.610 39.000 -0.199 0.000 1.010 470 F HN 0.326 nan 8.300 nan 0.000 0.485 471 H N -0.854 118.539 119.070 0.537 0.000 2.533 471 H HA 0.116 4.672 4.556 0.000 0.000 0.271 471 H C 0.251 175.812 175.328 0.387 0.000 1.000 471 H CA 0.188 56.500 56.048 0.441 0.000 1.149 471 H CB -0.177 29.837 29.762 0.420 0.000 1.375 471 H HN 0.258 nan 8.280 nan 0.000 0.582 472 Q N 1.989 122.044 119.800 0.424 0.000 2.314 472 Q HA 0.159 4.499 4.340 0.000 0.000 0.259 472 Q C -0.551 175.646 176.000 0.329 0.000 0.951 472 Q CA -0.412 55.593 55.803 0.337 0.000 0.909 472 Q CB 0.831 29.738 28.738 0.280 0.000 1.236 472 Q HN 0.249 nan 8.270 nan 0.000 0.444 473 E N 4.173 124.517 120.200 0.240 0.000 2.366 473 E HA 0.449 4.799 4.350 0.000 0.000 0.266 473 E C -0.244 176.447 176.600 0.151 0.000 1.051 473 E CA -0.057 56.440 56.400 0.162 0.000 0.884 473 E CB 0.835 30.626 29.700 0.152 0.000 1.006 473 E HN 0.692 nan 8.360 nan 0.000 0.417 474 M N 0.403 120.092 119.600 0.149 0.000 2.644 474 M HA 0.477 4.957 4.480 0.000 0.000 0.273 474 M C -1.639 174.736 176.300 0.126 0.000 1.253 474 M CA -0.977 54.425 55.300 0.169 0.000 0.852 474 M CB 1.288 34.035 32.600 0.245 0.000 1.708 474 M HN 0.245 nan 8.290 nan 0.000 0.471 475 L N 1.615 122.929 121.223 0.151 0.000 2.329 475 L HA 0.605 4.946 4.340 0.000 0.000 0.279 475 L C -0.767 176.123 176.870 0.033 0.000 1.014 475 L CA -0.740 54.178 54.840 0.130 0.000 0.814 475 L CB 1.723 43.921 42.059 0.232 0.000 1.257 475 L HN 0.712 nan 8.230 nan 0.000 0.424 476 N N 2.373 121.017 118.700 -0.094 0.000 2.479 476 N HA 0.457 5.197 4.740 0.000 0.000 0.261 476 N C -1.554 173.614 175.510 -0.570 0.000 0.979 476 N CA -0.345 52.482 53.050 -0.373 0.000 0.930 476 N CB 0.692 38.959 38.487 -0.367 0.000 1.172 476 N HN 0.438 nan 8.380 nan 0.000 0.499 477 Y N 0.062 120.111 120.300 -0.419 0.000 2.581 477 Y HA 0.676 5.226 4.550 0.000 0.000 0.345 477 Y C -0.909 174.841 175.900 -0.248 0.000 1.036 477 Y CA -1.393 56.483 58.100 -0.374 0.000 1.042 477 Y CB 0.730 39.095 38.460 -0.158 0.000 1.289 477 Y HN -0.026 nan 8.280 nan 0.000 0.471 478 V N 4.131 124.009 119.914 -0.059 0.000 2.333 478 V HA 0.344 4.464 4.120 0.000 0.000 0.274 478 V C 0.171 176.139 176.094 -0.211 0.000 1.028 478 V CA -0.468 61.610 62.300 -0.370 0.000 0.851 478 V CB 0.256 31.772 31.823 -0.510 0.000 1.000 478 V HN 0.725 nan 8.190 nan 0.000 0.456 479 L N 2.841 123.972 121.223 -0.154 0.000 2.751 479 L HA 0.711 5.051 4.340 0.000 0.000 0.241 479 L C 0.419 177.269 176.870 -0.033 0.000 1.146 479 L CA -0.414 54.421 54.840 -0.009 0.000 0.879 479 L CB 1.294 43.394 42.059 0.068 0.000 1.687 479 L HN 0.609 nan 8.230 nan 0.000 0.527 480 S N -0.828 114.889 115.700 0.028 0.000 2.572 480 S HA 0.516 4.987 4.470 0.000 0.000 0.274 480 S C -2.672 171.956 174.600 0.047 0.000 1.150 480 S CA -1.106 57.117 58.200 0.038 0.000 0.944 480 S CB 1.817 65.034 63.200 0.029 0.000 1.071 480 S HN 0.150 nan 8.310 nan 0.000 0.479 481 P HA 0.406 nan 4.420 nan 0.000 0.269 481 P C -1.259 175.992 177.300 -0.082 0.000 1.217 481 P CA 0.004 63.041 63.100 -0.105 0.000 0.783 481 P CB 0.213 31.779 31.700 -0.224 0.000 0.898 482 F N 0.601 120.323 119.950 -0.381 0.000 2.678 482 F HA 0.413 4.940 4.527 0.000 0.000 0.308 482 F C -1.681 173.778 175.800 -0.569 0.000 1.118 482 F CA -0.755 56.941 58.000 -0.507 0.000 0.959 482 F CB 1.137 39.808 39.000 -0.547 0.000 1.305 482 F HN 0.153 nan 8.300 nan 0.000 0.443 483 Y N 4.405 124.108 120.300 -0.995 0.000 2.385 483 Y HA 0.450 5.000 4.550 0.000 0.000 0.341 483 Y C -0.835 174.668 175.900 -0.662 0.000 0.965 483 Y CA -0.742 56.998 58.100 -0.601 0.000 1.180 483 Y CB 0.333 38.469 38.460 -0.539 0.000 1.139 483 Y HN 0.385 nan 8.280 nan 0.000 0.502 484 Y N 1.144 121.449 120.300 0.008 0.000 2.458 484 Y HA 0.394 4.944 4.550 0.000 0.000 0.322 484 Y C -0.203 175.647 175.900 -0.085 0.000 1.259 484 Y CA -0.924 57.185 58.100 0.016 0.000 1.302 484 Y CB 0.783 39.328 38.460 0.142 0.000 1.314 484 Y HN 0.408 nan 8.280 nan 0.000 0.509 485 Y N 0.185 120.646 120.300 0.269 0.000 2.408 485 Y HA 0.435 4.986 4.550 0.000 0.000 0.324 485 Y C -0.121 175.830 175.900 0.085 0.000 1.302 485 Y CA -0.988 57.183 58.100 0.118 0.000 1.384 485 Y CB 0.749 39.250 38.460 0.068 0.000 1.367 485 Y HN 0.397 nan 8.280 nan 0.000 0.525 486 Q N 0.233 120.149 119.800 0.193 0.000 2.456 486 Q HA 0.446 4.786 4.340 0.000 0.000 0.284 486 Q C -1.619 174.341 176.000 -0.066 0.000 1.061 486 Q CA -1.198 54.629 55.803 0.040 0.000 0.799 486 Q CB 2.693 31.431 28.738 0.001 0.000 1.445 486 Q HN 0.386 nan 8.270 nan 0.000 0.411 487 I N 1.900 122.393 120.570 -0.128 0.000 2.634 487 I HA -0.046 4.124 4.170 0.000 0.000 0.284 487 I C 0.474 176.359 176.117 -0.386 0.000 1.124 487 I CA 0.146 61.314 61.300 -0.219 0.000 1.417 487 I CB 0.339 38.221 38.000 -0.197 0.000 1.396 487 I HN 0.324 nan 8.210 nan 0.000 0.571 488 E N 8.320 128.179 120.200 -0.568 0.000 2.729 488 E HA -0.093 4.257 4.350 0.000 0.000 0.246 488 E C -1.529 174.382 176.600 -1.149 0.000 0.984 488 E CA -0.741 55.001 56.400 -1.096 0.000 0.951 488 E CB -0.050 28.727 29.700 -1.537 0.000 0.914 488 E HN 0.415 nan 8.360 nan 0.000 0.509 489 P HA -0.204 nan 4.420 nan 0.000 0.217 489 P C 1.172 177.854 177.300 -1.029 0.000 1.151 489 P CA 1.669 64.145 63.100 -1.040 0.000 0.849 489 P CB -0.231 30.588 31.700 -1.468 0.000 0.787 490 W N 0.871 121.588 121.300 -0.972 0.000 2.825 490 W HA 0.158 4.818 4.660 0.000 0.000 0.243 490 W C 1.474 177.959 176.519 -0.056 0.000 1.293 490 W CA 0.341 57.425 57.345 -0.435 0.000 1.403 490 W CB -1.262 28.152 29.460 -0.076 0.000 1.134 490 W HN -0.097 nan 8.180 nan 0.000 0.666 491 K N 0.485 120.664 120.400 -0.367 0.000 2.379 491 K HA 0.086 4.406 4.320 0.000 0.000 0.194 491 K C 1.152 177.704 176.600 -0.080 0.000 1.031 491 K CA 1.313 57.510 56.287 -0.150 0.000 1.037 491 K CB 0.100 32.437 32.500 -0.272 0.000 0.824 491 K HN 0.265 nan 8.250 nan 0.000 0.516 492 T N -3.076 111.409 114.554 -0.115 0.000 3.332 492 T HA 0.094 4.444 4.350 0.000 0.000 0.304 492 T C -0.575 174.116 174.700 -0.015 0.000 0.971 492 T CA -0.603 61.459 62.100 -0.064 0.000 0.954 492 T CB -0.300 68.501 68.868 -0.112 0.000 1.175 492 T HN 0.056 nan 8.240 nan 0.000 0.519 493 H N 1.153 120.176 119.070 -0.079 0.000 2.473 493 H HA 0.636 5.192 4.556 0.000 0.000 0.327 493 H C -0.771 174.489 175.328 -0.112 0.000 1.105 493 H CA -0.998 54.980 56.048 -0.116 0.000 1.280 493 H CB 0.577 30.258 29.762 -0.135 0.000 1.450 493 H HN 0.189 nan 8.280 nan 0.000 0.492 494 I N 5.834 126.012 120.570 -0.653 0.000 2.297 494 I HA 0.132 4.302 4.170 0.000 0.000 0.291 494 I C -0.389 175.425 176.117 -0.505 0.000 1.033 494 I CA -0.356 60.734 61.300 -0.350 0.000 1.253 494 I CB -0.046 37.827 38.000 -0.213 0.000 1.396 494 I HN 0.521 nan 8.210 nan 0.000 0.476 495 W N 0.000 121.257 121.300 -0.072 0.000 2.388 495 W HA 0.000 4.660 4.660 0.000 0.000 0.303 495 W CA 0.000 57.380 57.345 0.058 0.000 1.226 495 W CB 0.000 29.544 29.460 0.140 0.000 1.126 495 W HN 0.000 nan 8.180 nan 0.000 0.535