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 1nod_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSXXXXXX XSCLGSIMNP 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 IEPWKTHIWQ 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 0.000 176.188 176.000 0.314 0.000 1.003 77 Q CA 0.000 55.856 55.803 0.089 0.000 1.022 77 Q CB 0.000 28.658 28.738 -0.133 0.000 1.108 78 Y N -1.295 119.137 120.300 0.220 0.000 2.705 78 Y HA 0.821 5.371 4.550 0.000 0.000 0.332 78 Y C -1.383 174.611 175.900 0.156 0.000 1.221 78 Y CA -1.562 56.687 58.100 0.249 0.000 1.059 78 Y CB 0.811 39.369 38.460 0.162 0.000 1.298 78 Y HN 0.122 nan 8.280 nan 0.000 0.459 79 V N 2.508 122.718 119.914 0.494 0.000 2.448 79 V HA 0.533 4.653 4.120 0.000 0.000 0.295 79 V C -0.188 176.057 176.094 0.252 0.000 1.025 79 V CA -0.930 61.500 62.300 0.216 0.000 0.859 79 V CB 1.435 33.155 31.823 -0.171 0.000 0.988 79 V HN 0.788 nan 8.190 nan 0.000 0.431 80 R N 4.106 124.773 120.500 0.278 0.000 2.298 80 R HA 0.608 4.948 4.340 0.000 0.000 0.310 80 R C -1.046 175.279 176.300 0.041 0.000 1.068 80 R CA -0.126 56.096 56.100 0.202 0.000 0.957 80 R CB 0.536 30.991 30.300 0.259 0.000 1.003 80 R HN 0.679 nan 8.270 nan 0.000 0.454 81 I N 3.906 124.443 120.570 -0.055 0.000 2.498 81 I HA 0.311 4.481 4.170 0.000 0.000 0.290 81 I C -0.520 175.505 176.117 -0.155 0.000 1.032 81 I CA -0.779 60.476 61.300 -0.075 0.000 1.073 81 I CB 2.109 40.066 38.000 -0.072 0.000 1.251 81 I HN 0.512 nan 8.210 nan 0.000 0.426 82 K N 5.792 126.079 120.400 -0.189 0.000 2.259 82 K HA 0.361 4.681 4.320 0.000 0.000 0.249 82 K C -1.029 175.325 176.600 -0.410 0.000 0.942 82 K CA -0.670 55.389 56.287 -0.380 0.000 0.816 82 K CB 1.987 34.101 32.500 -0.643 0.000 1.155 82 K HN 0.608 nan 8.250 nan 0.000 0.428 83 N N 3.483 121.954 118.700 -0.382 0.000 2.469 83 N HA 0.091 4.831 4.740 0.000 0.000 0.253 83 N C -0.133 175.209 175.510 -0.280 0.000 0.970 83 N CA -0.369 52.547 53.050 -0.222 0.000 0.940 83 N CB 0.481 38.903 38.487 -0.109 0.000 1.128 83 N HN 0.609 nan 8.380 nan 0.000 0.503 84 W N 2.653 123.964 121.300 0.018 0.000 2.848 84 W HA 0.133 4.793 4.660 0.000 0.000 0.241 84 W C 1.942 178.473 176.519 0.020 0.000 1.289 84 W CA 0.078 57.438 57.345 0.025 0.000 1.396 84 W CB 0.246 29.725 29.460 0.032 0.000 1.138 84 W HN 0.659 nan 8.180 nan 0.000 0.677 85 G N -1.370 107.511 108.800 0.136 0.000 2.559 85 G HA2 -0.087 3.873 3.960 0.000 0.000 0.209 85 G HA3 -0.087 3.873 3.960 0.000 0.000 0.209 85 G C 1.546 176.473 174.900 0.045 0.000 1.151 85 G CA 0.713 45.869 45.100 0.094 0.000 0.824 85 G HN 0.137 nan 8.290 nan 0.000 0.543 86 S N -0.342 115.359 115.700 0.002 0.000 2.470 86 S HA 0.303 4.773 4.470 0.000 0.000 0.222 86 S C 1.924 176.496 174.600 -0.046 0.000 1.024 86 S CA 0.980 59.169 58.200 -0.019 0.000 0.931 86 S CB 0.213 63.392 63.200 -0.036 0.000 0.791 86 S HN 1.183 nan 8.310 nan 0.000 0.513 87 G N 1.842 110.584 108.800 -0.097 0.000 2.179 87 G HA2 -0.280 3.680 3.960 0.000 0.000 0.260 87 G HA3 -0.280 3.680 3.960 0.000 0.000 0.260 87 G C -0.077 174.725 174.900 -0.163 0.000 0.977 87 G CA 0.310 45.321 45.100 -0.148 0.000 0.641 87 G HN 0.521 nan 8.290 nan 0.000 0.533 88 E N 0.342 120.456 120.200 -0.142 0.000 2.384 88 E HA 0.416 4.766 4.350 0.000 0.000 0.266 88 E C 0.485 176.968 176.600 -0.196 0.000 1.012 88 E CA -0.232 56.086 56.400 -0.138 0.000 0.901 88 E CB 0.208 29.845 29.700 -0.105 0.000 0.967 88 E HN 0.476 nan 8.360 nan 0.000 0.435 89 I N 4.772 125.218 120.570 -0.207 0.000 2.441 89 I HA 0.370 4.540 4.170 0.000 0.000 0.295 89 I C -0.397 175.480 176.117 -0.399 0.000 0.994 89 I CA -0.776 60.357 61.300 -0.278 0.000 1.144 89 I CB 1.211 39.068 38.000 -0.239 0.000 1.314 89 I HN 0.289 nan 8.210 nan 0.000 0.445 90 L N 4.967 125.932 121.223 -0.430 0.000 2.370 90 L HA 0.534 4.874 4.340 0.000 0.000 0.266 90 L C -1.074 175.451 176.870 -0.575 0.000 1.002 90 L CA -0.784 53.770 54.840 -0.477 0.000 0.818 90 L CB 2.085 43.999 42.059 -0.241 0.000 1.325 90 L HN 0.599 nan 8.230 nan 0.000 0.418 91 H N 0.253 119.160 119.070 -0.271 0.000 2.638 91 H HA 0.202 4.758 4.556 0.000 0.000 0.317 91 H C -0.969 174.224 175.328 -0.225 0.000 1.006 91 H CA -0.727 55.048 56.048 -0.455 0.000 1.222 91 H CB 1.524 30.660 29.762 -1.044 0.000 1.419 91 H HN 0.391 nan 8.280 nan 0.000 0.489 92 D N 2.343 122.752 120.400 0.015 0.000 2.343 92 D HA 0.027 4.667 4.640 0.000 0.000 0.255 92 D C 0.335 176.797 176.300 0.269 0.000 1.187 92 D CA 0.291 54.353 54.000 0.104 0.000 0.875 92 D CB 1.340 42.164 40.800 0.040 0.000 1.136 92 D HN 0.613 nan 8.370 nan 0.000 0.469 93 T N 3.491 118.149 114.554 0.172 0.000 3.056 93 T HA -0.019 4.331 4.350 0.000 0.000 0.243 93 T C 1.972 176.639 174.700 -0.055 0.000 0.995 93 T CA -0.227 61.935 62.100 0.104 0.000 1.091 93 T CB 0.035 68.972 68.868 0.116 0.000 0.990 93 T HN 0.269 nan 8.240 nan 0.000 0.464 94 L N 2.082 123.320 121.223 0.024 0.000 2.081 94 L HA -0.222 4.118 4.340 0.000 0.000 0.212 94 L C 2.472 179.309 176.870 -0.055 0.000 1.080 94 L CA 2.018 56.859 54.840 0.003 0.000 0.754 94 L CB -0.481 41.601 42.059 0.038 0.000 0.893 94 L HN 0.578 nan 8.230 nan 0.000 0.433 95 H N -3.577 115.424 119.070 -0.116 0.000 2.520 95 H HA -0.228 4.328 4.556 0.000 0.000 0.295 95 H C 1.795 177.066 175.328 -0.095 0.000 1.096 95 H CA 1.837 57.814 56.048 -0.118 0.000 1.249 95 H CB -0.784 28.894 29.762 -0.141 0.000 1.365 95 H HN 0.548 nan 8.280 nan 0.000 0.556 96 H N 1.325 120.171 119.070 -0.375 0.000 2.357 96 H HA 0.029 4.585 4.556 0.000 0.000 0.301 96 H C 1.176 176.451 175.328 -0.088 0.000 1.082 96 H CA 0.979 56.884 56.048 -0.238 0.000 1.342 96 H CB 0.239 29.855 29.762 -0.243 0.000 1.389 96 H HN 0.292 nan 8.280 nan 0.000 0.511 97 K N 1.577 122.010 120.400 0.055 0.000 2.743 97 K HA 0.181 4.501 4.320 0.000 0.000 0.219 97 K C 0.297 176.917 176.600 0.033 0.000 1.003 97 K CA 0.015 56.326 56.287 0.039 0.000 1.156 97 K CB -0.095 32.423 32.500 0.030 0.000 0.932 97 K HN 0.188 nan 8.250 nan 0.000 0.490 98 A N 1.143 123.987 122.820 0.040 0.000 2.332 98 A HA 0.222 4.542 4.320 0.000 0.000 0.258 98 A C 0.447 178.051 177.584 0.033 0.000 1.087 98 A CA -0.256 51.806 52.037 0.041 0.000 0.802 98 A CB 0.282 19.316 19.000 0.057 0.000 1.042 98 A HN 0.240 nan 8.150 nan 0.000 0.489 99 T N 1.560 116.131 114.554 0.028 0.000 2.795 99 T HA 0.284 4.635 4.350 0.000 0.000 0.314 99 T C 1.087 175.800 174.700 0.021 0.000 1.069 99 T CA 0.242 62.354 62.100 0.021 0.000 1.071 99 T CB 0.226 69.103 68.868 0.016 0.000 0.988 99 T HN 0.739 nan 8.240 nan 0.000 0.543 109 C N 5.459 124.761 119.300 0.004 0.000 2.633 109 C HA 0.187 4.647 4.460 0.000 0.000 0.415 109 C C 1.935 176.929 174.990 0.006 0.000 1.393 109 C CA -0.334 58.688 59.018 0.007 0.000 1.700 109 C CB -0.635 27.109 27.740 0.007 0.000 2.541 109 C HN 0.867 nan 8.230 nan 0.000 0.603 110 L N 4.742 125.970 121.223 0.009 0.000 2.313 110 L HA 0.069 4.409 4.340 0.000 0.000 0.214 110 L C 2.499 179.389 176.870 0.033 0.000 1.119 110 L CA 1.803 56.649 54.840 0.011 0.000 0.809 110 L CB -1.712 40.351 42.059 0.007 0.000 0.933 110 L HN 1.109 nan 8.230 nan 0.000 0.449 111 G N -0.125 108.698 108.800 0.038 0.000 2.942 111 G HA2 -0.487 3.473 3.960 0.000 0.000 0.244 111 G HA3 -0.487 3.473 3.960 0.000 0.000 0.244 111 G C 1.746 176.705 174.900 0.098 0.000 1.096 111 G CA 1.616 46.754 45.100 0.063 0.000 0.731 111 G HN 0.448 nan 8.290 nan 0.000 0.653 112 S N -0.307 115.451 115.700 0.097 0.000 2.515 112 S HA 0.150 4.620 4.470 0.000 0.000 0.231 112 S C 1.110 175.806 174.600 0.159 0.000 0.987 112 S CA -0.313 57.968 58.200 0.134 0.000 0.936 112 S CB -0.264 63.001 63.200 0.109 0.000 0.766 112 S HN 0.210 nan 8.310 nan 0.000 0.528 113 I N 2.203 122.846 120.570 0.123 0.000 2.529 113 I HA 0.105 4.275 4.170 0.000 0.000 0.284 113 I C 1.314 177.511 176.117 0.134 0.000 1.082 113 I CA 0.282 61.664 61.300 0.138 0.000 1.406 113 I CB 0.830 38.879 38.000 0.080 0.000 1.405 113 I HN 0.374 nan 8.210 nan 0.000 0.548 114 M N 4.612 124.329 119.600 0.195 0.000 2.191 114 M HA 0.014 4.494 4.480 0.000 0.000 0.262 114 M C 0.446 176.686 176.300 -0.100 0.000 1.083 114 M CA 1.343 56.706 55.300 0.106 0.000 1.154 114 M CB 0.204 32.834 32.600 0.051 0.000 1.344 114 M HN 0.494 nan 8.290 nan 0.000 0.431 115 N N 1.432 120.110 118.700 -0.036 0.000 3.170 115 N HA 0.303 5.043 4.740 0.000 0.000 0.305 115 N C -2.438 172.999 175.510 -0.122 0.000 1.499 115 N CA -0.918 52.011 53.050 -0.202 0.000 1.110 115 N CB 0.094 38.560 38.487 -0.035 0.000 1.390 115 N HN 0.304 nan 8.380 nan 0.000 0.508 116 P HA 0.166 nan 4.420 nan 0.000 0.274 116 P C 0.441 177.709 177.300 -0.053 0.000 1.237 116 P CA -0.264 62.800 63.100 -0.060 0.000 0.793 116 P CB 1.851 33.522 31.700 -0.050 0.000 0.977 117 K N 0.319 120.709 120.400 -0.016 0.000 2.362 117 K HA -0.048 4.272 4.320 0.000 0.000 0.200 117 K C 1.819 178.431 176.600 0.019 0.000 1.046 117 K CA 1.353 57.640 56.287 -0.001 0.000 0.952 117 K CB -0.211 32.288 32.500 -0.001 0.000 0.753 117 K HN 0.511 nan 8.250 nan 0.000 0.466 118 S N 0.093 115.801 115.700 0.014 0.000 2.561 118 S HA 0.001 4.471 4.470 0.000 0.000 0.225 118 S C 1.291 175.939 174.600 0.080 0.000 0.977 118 S CA 0.498 58.717 58.200 0.032 0.000 0.926 118 S CB 0.120 63.323 63.200 0.005 0.000 0.769 118 S HN 0.080 nan 8.310 nan 0.000 0.533 119 L N 1.002 122.279 121.223 0.091 0.000 2.966 119 L HA 0.441 4.781 4.340 0.000 0.000 0.262 119 L C 0.152 177.250 176.870 0.381 0.000 1.165 119 L CA 0.464 55.417 54.840 0.190 0.000 0.978 119 L CB 0.570 42.632 42.059 0.005 0.000 1.337 119 L HN 0.167 nan 8.230 nan 0.000 0.563 120 T N -0.555 114.155 114.554 0.260 0.000 2.945 120 T HA 0.592 4.942 4.350 0.000 0.000 0.286 120 T C -0.442 174.333 174.700 0.125 0.000 1.025 120 T CA -0.469 61.770 62.100 0.231 0.000 1.039 120 T CB 2.302 71.221 68.868 0.085 0.000 1.068 120 T HN -0.158 nan 8.240 nan 0.000 0.497 121 R N 1.055 121.583 120.500 0.048 0.000 2.545 121 R HA 0.522 4.862 4.340 0.000 0.000 0.289 121 R C 0.250 176.518 176.300 -0.053 0.000 1.327 121 R CA -0.387 55.628 56.100 -0.141 0.000 1.040 121 R CB 0.258 30.347 30.300 -0.353 0.000 1.176 121 R HN 0.848 nan 8.270 nan 0.000 0.518 122 G N 3.022 111.791 108.800 -0.052 0.000 2.611 122 G HA2 0.298 4.258 3.960 0.000 0.000 0.273 122 G HA3 0.298 4.258 3.960 0.000 0.000 0.273 122 G C -1.874 173.005 174.900 -0.036 0.000 1.305 122 G CA -0.873 44.204 45.100 -0.039 0.000 1.010 122 G HN 0.449 nan 8.290 nan 0.000 0.509 123 P HA 0.298 nan 4.420 nan 0.000 0.273 123 P C -0.026 177.263 177.300 -0.019 0.000 1.258 123 P CA 0.012 63.102 63.100 -0.018 0.000 0.802 123 P CB 0.441 32.129 31.700 -0.020 0.000 1.040 124 R N -0.557 119.937 120.500 -0.012 0.000 2.766 124 R HA 0.347 4.687 4.340 0.000 0.000 0.270 124 R C -0.591 175.698 176.300 -0.019 0.000 1.035 124 R CA -0.567 55.523 56.100 -0.016 0.000 0.911 124 R CB 1.386 31.677 30.300 -0.014 0.000 1.243 124 R HN 0.339 nan 8.270 nan 0.000 0.460 125 D N -0.266 120.119 120.400 -0.024 0.000 2.186 125 D HA 0.127 4.767 4.640 0.000 0.000 0.316 125 D C -0.747 175.534 176.300 -0.032 0.000 1.071 125 D CA 0.538 54.519 54.000 -0.032 0.000 0.869 125 D CB 1.076 41.859 40.800 -0.028 0.000 1.623 125 D HN 0.174 nan 8.370 nan 0.000 0.531 126 K N 1.400 121.787 120.400 -0.022 0.000 2.324 126 K HA 0.510 4.830 4.320 0.000 0.000 0.253 126 K C -2.766 173.828 176.600 -0.010 0.000 0.932 126 K CA -1.689 54.588 56.287 -0.016 0.000 0.799 126 K CB 2.634 35.126 32.500 -0.014 0.000 1.154 126 K HN -0.234 nan 8.250 nan 0.000 0.425 127 P HA -0.097 nan 4.420 nan 0.000 0.268 127 P C -0.352 176.951 177.300 0.005 0.000 1.208 127 P CA -0.097 63.005 63.100 0.004 0.000 0.777 127 P CB 0.400 32.108 31.700 0.015 0.000 0.875 128 T N 3.880 118.439 114.554 0.009 0.000 2.738 128 T HA 0.066 4.416 4.350 0.000 0.000 0.277 128 T C -1.930 172.778 174.700 0.013 0.000 0.981 128 T CA -1.320 60.788 62.100 0.013 0.000 1.211 128 T CB -0.905 67.981 68.868 0.030 0.000 0.932 128 T HN 0.213 nan 8.240 nan 0.000 0.522 129 P HA -0.056 nan 4.420 nan 0.000 0.262 129 P C 1.503 178.795 177.300 -0.013 0.000 1.182 129 P CA -0.526 62.570 63.100 -0.006 0.000 0.761 129 P CB 0.548 32.239 31.700 -0.014 0.000 0.795 130 L N 3.503 124.720 121.223 -0.009 0.000 2.030 130 L HA -0.240 4.100 4.340 0.000 0.000 0.222 130 L C 2.534 179.381 176.870 -0.039 0.000 1.082 130 L CA 2.538 57.369 54.840 -0.014 0.000 0.785 130 L CB -1.187 40.866 42.059 -0.010 0.000 0.895 130 L HN 0.551 nan 8.230 nan 0.000 0.439 131 E N 0.474 120.647 120.200 -0.045 0.000 2.171 131 E HA -0.273 4.077 4.350 0.000 0.000 0.197 131 E C 1.551 178.087 176.600 -0.107 0.000 0.997 131 E CA 1.957 58.320 56.400 -0.062 0.000 0.810 131 E CB -0.380 29.290 29.700 -0.050 0.000 0.738 131 E HN 0.853 nan 8.360 nan 0.000 0.467 132 E N 0.369 120.487 120.200 -0.137 0.000 2.244 132 E HA 0.032 4.382 4.350 0.000 0.000 0.196 132 E C 2.421 178.805 176.600 -0.360 0.000 0.939 132 E CA -0.188 56.037 56.400 -0.291 0.000 0.884 132 E CB -0.447 29.109 29.700 -0.240 0.000 0.850 132 E HN 0.108 nan 8.360 nan 0.000 0.481 133 L N 1.365 122.518 121.223 -0.118 0.000 2.083 133 L HA -0.090 4.250 4.340 0.000 0.000 0.209 133 L C 2.120 179.002 176.870 0.020 0.000 1.083 133 L CA 1.328 56.180 54.840 0.019 0.000 0.752 133 L CB -0.580 41.516 42.059 0.062 0.000 0.899 133 L HN 0.358 nan 8.230 nan 0.000 0.433 134 L N 0.561 121.760 121.223 -0.040 0.000 1.976 134 L HA -0.112 4.228 4.340 0.000 0.000 0.209 134 L C -0.057 176.796 176.870 -0.028 0.000 1.071 134 L CA 1.954 56.767 54.840 -0.046 0.000 0.746 134 L CB -2.181 39.847 42.059 -0.051 0.000 0.890 134 L HN 0.176 nan 8.230 nan 0.000 0.432 135 P HA -0.113 nan 4.420 nan 0.000 0.218 135 P C 1.245 178.610 177.300 0.108 0.000 1.149 135 P CA 1.160 64.256 63.100 -0.007 0.000 0.817 135 P CB -0.029 31.633 31.700 -0.063 0.000 0.785 136 H N -0.285 118.822 119.070 0.062 0.000 2.293 136 H HA 0.005 4.561 4.556 0.000 0.000 0.300 136 H C 2.025 177.447 175.328 0.155 0.000 1.082 136 H CA 1.482 57.590 56.048 0.100 0.000 1.308 136 H CB -1.155 28.662 29.762 0.092 0.000 1.375 136 H HN -0.000 nan 8.280 nan 0.000 0.495 137 A N 1.036 124.018 122.820 0.270 0.000 1.873 137 A HA -0.166 4.154 4.320 0.000 0.000 0.218 137 A C 2.686 180.374 177.584 0.173 0.000 1.193 137 A CA 1.894 54.055 52.037 0.207 0.000 0.629 137 A CB -1.007 17.908 19.000 -0.142 0.000 0.826 137 A HN 0.352 nan 8.150 nan 0.000 0.447 138 I N -0.372 120.251 120.570 0.088 0.000 2.208 138 I HA -0.286 3.884 4.170 0.000 0.000 0.245 138 I C 2.522 178.719 176.117 0.134 0.000 1.097 138 I CA 1.837 63.183 61.300 0.077 0.000 1.363 138 I CB -0.437 37.587 38.000 0.041 0.000 1.051 138 I HN 0.524 nan 8.210 nan 0.000 0.413 139 E N 1.715 122.020 120.200 0.175 0.000 2.038 139 E HA -0.303 4.047 4.350 0.000 0.000 0.195 139 E C 2.094 178.841 176.600 0.245 0.000 1.000 139 E CA 1.786 58.301 56.400 0.191 0.000 0.803 139 E CB -0.625 29.198 29.700 0.205 0.000 0.750 139 E HN 0.392 nan 8.360 nan 0.000 0.448 140 F N 1.212 121.249 119.950 0.145 0.000 2.065 140 F HA -0.145 4.382 4.527 0.000 0.000 0.298 140 F C 2.080 177.968 175.800 0.148 0.000 1.112 140 F CA 1.938 60.040 58.000 0.169 0.000 1.212 140 F CB -0.752 38.370 39.000 0.202 0.000 0.975 140 F HN 0.125 nan 8.300 nan 0.000 0.476 141 I N 0.473 120.952 120.570 -0.153 0.000 2.335 141 I HA -0.341 3.829 4.170 0.000 0.000 0.251 141 I C 2.137 178.217 176.117 -0.062 0.000 1.129 141 I CA 1.416 62.578 61.300 -0.230 0.000 1.402 141 I CB -0.717 37.268 38.000 -0.026 0.000 1.069 141 I HN 0.269 nan 8.210 nan 0.000 0.424 142 N N 0.352 119.082 118.700 0.049 0.000 2.331 142 N HA -0.181 4.559 4.740 0.000 0.000 0.180 142 N C 1.865 177.374 175.510 -0.003 0.000 1.019 142 N CA 0.910 54.033 53.050 0.121 0.000 0.881 142 N CB 0.033 38.631 38.487 0.185 0.000 0.972 142 N HN 0.538 nan 8.380 nan 0.000 0.435 143 Q N -0.066 119.723 119.800 -0.017 0.000 2.033 143 Q HA -0.137 4.203 4.340 0.000 0.000 0.196 143 Q C 1.949 177.778 176.000 -0.286 0.000 0.970 143 Q CA 0.869 56.672 55.803 -0.001 0.000 0.828 143 Q CB -0.102 28.769 28.738 0.223 0.000 0.895 143 Q HN 0.331 nan 8.270 nan 0.000 0.440 144 Y N -0.049 119.801 120.300 -0.749 0.000 2.053 144 Y HA -0.326 4.224 4.550 0.000 0.000 0.277 144 Y C 1.570 176.727 175.900 -1.239 0.000 1.159 144 Y CA 2.115 59.374 58.100 -1.402 0.000 1.125 144 Y CB -0.454 37.184 38.460 -1.370 0.000 0.969 144 Y HN 0.200 nan 8.280 nan 0.000 0.492 145 Y N -0.084 119.808 120.300 -0.680 0.000 2.574 145 Y HA 0.012 4.562 4.550 0.000 0.000 0.294 145 Y C 2.415 177.947 175.900 -0.614 0.000 1.142 145 Y CA 0.962 58.646 58.100 -0.693 0.000 1.314 145 Y CB -0.554 37.445 38.460 -0.767 0.000 0.991 145 Y HN 0.270 nan 8.280 nan 0.000 0.555 146 G N -1.318 107.235 108.800 -0.411 0.000 2.683 146 G HA2 -0.126 3.834 3.960 0.000 0.000 0.213 146 G HA3 -0.126 3.834 3.960 0.000 0.000 0.213 146 G C 1.695 176.437 174.900 -0.262 0.000 1.142 146 G CA 0.728 45.706 45.100 -0.202 0.000 0.793 146 G HN 0.441 nan 8.290 nan 0.000 0.534 147 S N 1.536 116.914 115.700 -0.537 0.000 2.336 147 S HA 0.036 4.506 4.470 0.000 0.000 0.214 147 S C 1.093 175.546 174.600 -0.244 0.000 1.032 147 S CA 0.381 58.361 58.200 -0.366 0.000 1.001 147 S CB -0.886 62.113 63.200 -0.335 0.000 0.953 147 S HN 0.352 nan 8.310 nan 0.000 0.430 148 F N 2.712 122.578 119.950 -0.139 0.000 2.553 148 F HA 0.474 5.001 4.527 0.000 0.000 0.356 148 F C 0.600 176.375 175.800 -0.041 0.000 1.142 148 F CA -1.975 55.973 58.000 -0.088 0.000 1.322 148 F CB -0.059 38.863 39.000 -0.129 0.000 1.126 148 F HN 0.225 nan 8.300 nan 0.000 0.599 149 K N 2.286 122.817 120.400 0.220 0.000 2.380 149 K HA 0.021 4.342 4.320 0.000 0.000 0.267 149 K C -0.091 176.579 176.600 0.117 0.000 0.990 149 K CA 0.174 56.539 56.287 0.129 0.000 0.946 149 K CB 0.162 32.709 32.500 0.077 0.000 0.937 149 K HN 0.923 nan 8.250 nan 0.000 0.491 150 E N -0.093 120.157 120.200 0.084 0.000 2.966 150 E HA -0.239 4.111 4.350 0.000 0.000 0.153 150 E C -1.028 175.605 176.600 0.055 0.000 1.949 150 E CA 0.322 56.752 56.400 0.050 0.000 0.672 150 E CB -1.697 28.005 29.700 0.003 0.000 1.072 150 E HN 0.627 nan 8.360 nan 0.000 0.344 151 A N 3.729 126.636 122.820 0.145 0.000 2.425 151 A HA 0.171 4.491 4.320 0.000 0.000 0.249 151 A C 0.562 178.228 177.584 0.137 0.000 1.084 151 A CA -0.312 51.874 52.037 0.248 0.000 0.781 151 A CB 0.497 19.679 19.000 0.302 0.000 1.019 151 A HN 0.461 nan 8.150 nan 0.000 0.490 152 K N 3.402 123.906 120.400 0.174 0.000 2.751 152 K HA 0.176 4.496 4.320 0.000 0.000 0.252 152 K C 0.663 177.358 176.600 0.158 0.000 1.277 152 K CA -0.109 56.249 56.287 0.120 0.000 1.226 152 K CB -0.197 32.380 32.500 0.128 0.000 1.658 152 K HN 0.720 nan 8.250 nan 0.000 0.303 153 I N 1.265 121.911 120.570 0.126 0.000 2.121 153 I HA -0.448 3.722 4.170 0.000 0.000 0.243 153 I C 2.570 178.697 176.117 0.016 0.000 1.047 153 I CA 1.790 63.143 61.300 0.089 0.000 1.308 153 I CB -0.029 37.998 38.000 0.046 0.000 1.015 153 I HN 0.606 nan 8.210 nan 0.000 0.410 154 E N 0.619 120.820 120.200 0.001 0.000 2.047 154 E HA -0.242 4.108 4.350 0.000 0.000 0.191 154 E C 1.997 178.567 176.600 -0.049 0.000 0.987 154 E CA 1.295 57.679 56.400 -0.027 0.000 0.799 154 E CB -0.005 29.688 29.700 -0.013 0.000 0.752 154 E HN 0.516 nan 8.360 nan 0.000 0.449 155 E N -0.612 119.570 120.200 -0.030 0.000 2.204 155 E HA -0.227 4.123 4.350 0.000 0.000 0.195 155 E C 1.936 178.334 176.600 -0.336 0.000 0.990 155 E CA 0.942 57.312 56.400 -0.049 0.000 0.821 155 E CB -0.259 29.519 29.700 0.130 0.000 0.750 155 E HN 0.483 nan 8.360 nan 0.000 0.477 156 H N 0.770 119.442 119.070 -0.662 0.000 2.253 156 H HA -0.143 4.413 4.556 0.000 0.000 0.296 156 H C 2.167 177.194 175.328 -0.501 0.000 1.074 156 H CA 1.448 56.887 56.048 -1.015 0.000 1.263 156 H CB 0.084 29.538 29.762 -0.514 0.000 1.363 156 H HN 0.021 nan 8.280 nan 0.000 0.489 157 L N 0.556 121.674 121.223 -0.176 0.000 2.046 157 L HA -0.159 4.181 4.340 0.000 0.000 0.208 157 L C 3.010 179.818 176.870 -0.102 0.000 1.077 157 L CA 1.239 55.985 54.840 -0.156 0.000 0.747 157 L CB -0.674 41.301 42.059 -0.140 0.000 0.896 157 L HN 0.380 nan 8.230 nan 0.000 0.432 158 A N 0.248 123.012 122.820 -0.093 0.000 1.865 158 A HA -0.282 4.038 4.320 0.000 0.000 0.217 158 A C 2.455 180.016 177.584 -0.039 0.000 1.191 158 A CA 2.208 54.213 52.037 -0.053 0.000 0.623 158 A CB -0.580 18.401 19.000 -0.032 0.000 0.826 158 A HN 0.332 nan 8.150 nan 0.000 0.444 159 R N -0.110 120.355 120.500 -0.059 0.000 2.073 159 R HA -0.008 4.332 4.340 0.000 0.000 0.234 159 R C 1.987 178.282 176.300 -0.008 0.000 1.134 159 R CA 1.685 57.786 56.100 0.003 0.000 0.952 159 R CB -1.005 29.342 30.300 0.078 0.000 0.850 159 R HN 0.521 nan 8.270 nan 0.000 0.433 160 L N 0.345 121.549 121.223 -0.032 0.000 1.971 160 L HA -0.248 4.092 4.340 0.000 0.000 0.215 160 L C 2.592 179.439 176.870 -0.039 0.000 1.072 160 L CA 2.265 57.092 54.840 -0.021 0.000 0.758 160 L CB -0.612 41.432 42.059 -0.024 0.000 0.889 160 L HN 0.435 nan 8.230 nan 0.000 0.433 161 E N -0.229 119.945 120.200 -0.043 0.000 2.049 161 E HA -0.300 4.050 4.350 0.000 0.000 0.198 161 E C 2.124 178.708 176.600 -0.027 0.000 1.007 161 E CA 1.457 57.835 56.400 -0.037 0.000 0.809 161 E CB -0.103 29.575 29.700 -0.036 0.000 0.749 161 E HN 0.483 nan 8.360 nan 0.000 0.450 162 A N 0.484 123.295 122.820 -0.016 0.000 1.892 162 A HA -0.209 4.111 4.320 0.000 0.000 0.218 162 A C 2.454 180.037 177.584 -0.002 0.000 1.188 162 A CA 1.995 54.033 52.037 0.001 0.000 0.631 162 A CB -0.930 18.081 19.000 0.018 0.000 0.822 162 A HN 0.255 nan 8.150 nan 0.000 0.447 163 V N -0.318 119.584 119.914 -0.021 0.000 2.295 163 V HA -0.239 3.881 4.120 0.000 0.000 0.246 163 V C 2.726 178.753 176.094 -0.112 0.000 1.049 163 V CA 2.471 64.726 62.300 -0.075 0.000 1.024 163 V CB -1.521 30.209 31.823 -0.156 0.000 0.648 163 V HN 0.624 nan 8.190 nan 0.000 0.447 164 T N 0.139 114.637 114.554 -0.092 0.000 2.665 164 T HA -0.252 4.098 4.350 0.000 0.000 0.268 164 T C 1.891 176.563 174.700 -0.047 0.000 1.035 164 T CA 1.811 63.864 62.100 -0.077 0.000 1.151 164 T CB -0.271 68.564 68.868 -0.056 0.000 0.862 164 T HN 0.512 nan 8.240 nan 0.000 0.438 165 K N 0.844 121.227 120.400 -0.028 0.000 2.025 165 K HA -0.116 4.204 4.320 0.000 0.000 0.207 165 K C 2.454 179.056 176.600 0.004 0.000 1.049 165 K CA 1.489 57.770 56.287 -0.010 0.000 0.933 165 K CB -0.237 32.261 32.500 -0.004 0.000 0.714 165 K HN 0.478 nan 8.250 nan 0.000 0.438 166 E N 1.638 121.845 120.200 0.012 0.000 2.130 166 E HA -0.203 4.148 4.350 0.000 0.000 0.196 166 E C 1.810 178.443 176.600 0.056 0.000 0.998 166 E CA 1.302 57.729 56.400 0.045 0.000 0.806 166 E CB -0.133 29.611 29.700 0.074 0.000 0.738 166 E HN 0.294 nan 8.360 nan 0.000 0.459 167 I N 0.372 120.954 120.570 0.020 0.000 2.206 167 I HA -0.164 4.006 4.170 0.000 0.000 0.239 167 I C 2.337 178.468 176.117 0.023 0.000 1.078 167 I CA 1.256 62.573 61.300 0.028 0.000 1.367 167 I CB -0.374 37.598 38.000 -0.047 0.000 1.078 167 I HN 0.126 nan 8.210 nan 0.000 0.413 168 E N 0.576 120.777 120.200 0.001 0.000 2.171 168 E HA -0.239 4.111 4.350 0.000 0.000 0.197 168 E C 2.082 178.690 176.600 0.012 0.000 0.997 168 E CA 2.099 58.501 56.400 0.002 0.000 0.810 168 E CB -0.170 29.526 29.700 -0.007 0.000 0.738 168 E HN 0.654 nan 8.360 nan 0.000 0.467 169 T N -1.679 112.886 114.554 0.019 0.000 2.781 169 T HA -0.087 4.263 4.350 0.000 0.000 0.252 169 T C 2.203 176.921 174.700 0.031 0.000 1.039 169 T CA 1.485 63.598 62.100 0.023 0.000 1.147 169 T CB -0.555 68.328 68.868 0.024 0.000 0.865 169 T HN 0.168 nan 8.240 nan 0.000 0.423 170 T N -1.734 112.846 114.554 0.042 0.000 3.044 170 T HA 0.576 4.926 4.350 0.000 0.000 0.255 170 T C 1.750 176.480 174.700 0.052 0.000 1.073 170 T CA 0.606 62.735 62.100 0.048 0.000 1.125 170 T CB -0.005 68.899 68.868 0.060 0.000 0.908 170 T HN 0.898 nan 8.240 nan 0.000 0.480 171 G N 0.887 109.721 108.800 0.057 0.000 2.780 171 G HA2 -0.190 3.770 3.960 0.000 0.000 0.237 171 G HA3 -0.190 3.770 3.960 0.000 0.000 0.237 171 G C 0.403 175.359 174.900 0.093 0.000 1.965 171 G CA 0.137 45.272 45.100 0.058 0.000 1.577 171 G HN 0.719 nan 8.290 nan 0.000 0.543 172 T N 0.501 115.117 114.554 0.104 0.000 2.715 172 T HA 0.592 4.942 4.350 0.000 0.000 0.320 172 T C -0.078 174.776 174.700 0.255 0.000 1.046 172 T CA 1.255 63.447 62.100 0.154 0.000 0.983 172 T CB 0.556 69.464 68.868 0.067 0.000 1.183 172 T HN 1.858 nan 8.240 nan 0.000 0.522 173 Y N -1.317 119.001 120.300 0.031 0.000 2.604 173 Y HA 0.574 5.124 4.550 0.000 0.000 0.331 173 Y C -1.381 174.554 175.900 0.058 0.000 1.158 173 Y CA -1.304 56.824 58.100 0.047 0.000 1.056 173 Y CB 0.809 39.304 38.460 0.058 0.000 1.330 173 Y HN 0.481 nan 8.280 nan 0.000 0.457 174 Q N 3.221 123.018 119.800 -0.004 0.000 2.245 174 Q HA 0.447 4.787 4.340 0.000 0.000 0.256 174 Q C -0.907 175.088 176.000 -0.008 0.000 0.942 174 Q CA -1.000 54.757 55.803 -0.076 0.000 0.896 174 Q CB 2.728 31.478 28.738 0.020 0.000 1.272 174 Q HN 0.647 nan 8.270 nan 0.000 0.442 175 L N 1.653 122.862 121.223 -0.023 0.000 2.421 175 L HA 0.294 4.634 4.340 0.000 0.000 0.263 175 L C 1.097 178.005 176.870 0.063 0.000 1.122 175 L CA 0.048 54.938 54.840 0.083 0.000 0.804 175 L CB 0.726 42.862 42.059 0.130 0.000 1.150 175 L HN 0.751 nan 8.230 nan 0.000 0.457 176 T N -0.948 113.627 114.554 0.035 0.000 2.899 176 T HA 0.156 4.506 4.350 0.000 0.000 0.295 176 T C 1.374 176.090 174.700 0.026 0.000 1.033 176 T CA -0.650 61.458 62.100 0.013 0.000 1.084 176 T CB 0.985 69.833 68.868 -0.033 0.000 0.979 176 T HN 0.469 nan 8.240 nan 0.000 0.532 177 L N 0.783 122.027 121.223 0.033 0.000 2.013 177 L HA -0.127 4.214 4.340 0.000 0.000 0.212 177 L C 2.204 179.121 176.870 0.078 0.000 1.073 177 L CA 2.382 57.246 54.840 0.040 0.000 0.753 177 L CB -1.297 40.782 42.059 0.032 0.000 0.890 177 L HN 0.923 nan 8.230 nan 0.000 0.432 178 D N -0.138 120.323 120.400 0.101 0.000 2.149 178 D HA -0.236 4.404 4.640 0.000 0.000 0.198 178 D C 1.982 178.464 176.300 0.302 0.000 0.990 178 D CA 1.343 55.457 54.000 0.190 0.000 0.839 178 D CB 0.190 41.123 40.800 0.222 0.000 0.948 178 D HN 0.531 nan 8.370 nan 0.000 0.460 179 E N -0.316 119.961 120.200 0.127 0.000 2.051 179 E HA -0.173 4.177 4.350 0.000 0.000 0.192 179 E C 2.114 178.952 176.600 0.396 0.000 0.991 179 E CA 0.377 56.842 56.400 0.108 0.000 0.799 179 E CB -0.105 29.488 29.700 -0.180 0.000 0.748 179 E HN 0.152 nan 8.360 nan 0.000 0.449 180 L N 1.086 122.437 121.223 0.214 0.000 2.042 180 L HA -0.199 4.141 4.340 0.000 0.000 0.210 180 L C 2.002 178.951 176.870 0.132 0.000 1.076 180 L CA 1.426 56.334 54.840 0.113 0.000 0.749 180 L CB -0.443 41.603 42.059 -0.021 0.000 0.893 180 L HN 0.074 nan 8.230 nan 0.000 0.432 181 I N -0.838 119.832 120.570 0.166 0.000 2.091 181 I HA -0.345 3.825 4.170 0.000 0.000 0.239 181 I C 2.374 178.626 176.117 0.226 0.000 1.061 181 I CA 1.883 63.276 61.300 0.155 0.000 1.317 181 I CB -0.939 37.158 38.000 0.161 0.000 1.031 181 I HN 0.359 nan 8.210 nan 0.000 0.401 182 F N 1.076 121.145 119.950 0.199 0.000 2.161 182 F HA -0.276 4.251 4.527 0.000 0.000 0.300 182 F C 2.327 178.274 175.800 0.246 0.000 1.089 182 F CA 1.612 59.751 58.000 0.231 0.000 1.282 182 F CB -0.448 38.733 39.000 0.301 0.000 1.010 182 F HN 0.068 nan 8.300 nan 0.000 0.485 183 A N 0.132 123.195 122.820 0.404 0.000 1.858 183 A HA -0.217 4.103 4.320 0.000 0.000 0.216 183 A C 2.311 179.860 177.584 -0.058 0.000 1.190 183 A CA 2.710 54.826 52.037 0.131 0.000 0.617 183 A CB -1.679 17.321 19.000 0.001 0.000 0.827 183 A HN 0.534 nan 8.150 nan 0.000 0.443 184 T N -1.283 113.259 114.554 -0.020 0.000 2.720 184 T HA -0.197 4.153 4.350 0.000 0.000 0.268 184 T C 1.782 176.557 174.700 0.125 0.000 1.037 184 T CA 1.743 63.854 62.100 0.019 0.000 1.144 184 T CB -0.416 68.468 68.868 0.027 0.000 0.864 184 T HN 0.555 nan 8.240 nan 0.000 0.444 185 K N 0.046 120.514 120.400 0.113 0.000 2.097 185 K HA 0.106 4.426 4.320 0.000 0.000 0.205 185 K C 2.313 179.030 176.600 0.195 0.000 1.050 185 K CA 1.254 57.679 56.287 0.230 0.000 0.938 185 K CB -0.277 32.315 32.500 0.154 0.000 0.718 185 K HN 0.218 nan 8.250 nan 0.000 0.442 186 M N 0.847 120.391 119.600 -0.094 0.000 2.156 186 M HA -0.020 4.460 4.480 0.000 0.000 0.264 186 M C 2.071 178.275 176.300 -0.159 0.000 1.067 186 M CA 1.231 56.386 55.300 -0.242 0.000 1.131 186 M CB -0.324 32.015 32.600 -0.436 0.000 1.368 186 M HN 0.158 nan 8.290 nan 0.000 0.416 187 A N -1.137 121.577 122.820 -0.178 0.000 1.933 187 A HA -0.212 4.108 4.320 0.000 0.000 0.218 187 A C 2.017 179.554 177.584 -0.079 0.000 1.175 187 A CA 1.671 53.479 52.037 -0.382 0.000 0.628 187 A CB -1.346 17.057 19.000 -0.995 0.000 0.814 187 A HN 0.770 nan 8.150 nan 0.000 0.444 188 W N 0.853 122.183 121.300 0.051 0.000 2.409 188 W HA -0.061 4.599 4.660 0.000 0.000 0.299 188 W C 2.242 178.725 176.519 -0.060 0.000 1.203 188 W CA 1.259 58.641 57.345 0.061 0.000 1.298 188 W CB -0.677 28.785 29.460 0.003 0.000 1.127 188 W HN 0.352 nan 8.180 nan 0.000 0.528 189 R N 0.461 120.924 120.500 -0.062 0.000 2.139 189 R HA -0.183 4.157 4.340 0.000 0.000 0.243 189 R C 1.029 177.194 176.300 -0.225 0.000 1.145 189 R CA 1.777 57.659 56.100 -0.363 0.000 0.976 189 R CB -0.482 29.418 30.300 -0.666 0.000 0.866 189 R HN 0.057 nan 8.270 nan 0.000 0.449 190 N N -0.091 118.526 118.700 -0.138 0.000 2.268 190 N HA 0.076 4.816 4.740 0.000 0.000 0.204 190 N C -0.884 174.548 175.510 -0.130 0.000 1.124 190 N CA 0.383 53.381 53.050 -0.086 0.000 0.838 190 N CB 1.267 39.757 38.487 0.005 0.000 0.994 190 N HN 0.144 nan 8.380 nan 0.000 0.489 191 A N 2.098 124.841 122.820 -0.127 0.000 2.650 191 A HA 0.284 4.604 4.320 0.000 0.000 0.320 191 A C -1.123 176.410 177.584 -0.085 0.000 1.466 191 A CA -1.189 50.721 52.037 -0.211 0.000 1.099 191 A CB 0.465 19.416 19.000 -0.081 0.000 1.136 191 A HN -0.024 nan 8.150 nan 0.000 0.532 192 P HA -0.152 nan 4.420 nan 0.000 0.226 192 P C 0.668 177.940 177.300 -0.047 0.000 1.146 192 P CA 0.993 64.073 63.100 -0.033 0.000 0.773 192 P CB 0.183 31.861 31.700 -0.038 0.000 0.772 193 R N -1.400 119.039 120.500 -0.102 0.000 2.466 193 R HA 0.204 4.544 4.340 0.000 0.000 0.279 193 R C 0.284 176.617 176.300 0.056 0.000 0.976 193 R CA -0.250 55.812 56.100 -0.063 0.000 1.081 193 R CB -0.125 29.922 30.300 -0.422 0.000 1.215 193 R HN 0.157 nan 8.270 nan 0.000 0.546 194 C N 0.206 119.514 119.300 0.014 0.000 2.351 194 C HA 0.448 4.909 4.460 0.000 0.000 0.326 194 C C 1.516 176.495 174.990 -0.018 0.000 1.272 194 C CA -0.700 58.348 59.018 0.050 0.000 1.650 194 C CB 0.259 28.099 27.740 0.165 0.000 2.257 194 C HN 0.499 nan 8.230 nan 0.000 0.505 195 I N 3.858 124.387 120.570 -0.069 0.000 3.645 195 I HA 0.157 4.327 4.170 0.000 0.000 0.300 195 I C 2.196 178.422 176.117 0.181 0.000 1.260 195 I CA 0.855 62.079 61.300 -0.126 0.000 1.365 195 I CB -0.166 37.725 38.000 -0.181 0.000 1.077 195 I HN 0.930 nan 8.210 nan 0.000 0.439 196 G N 1.018 109.893 108.800 0.125 0.000 3.124 196 G HA2 -0.025 3.935 3.960 0.000 0.000 0.212 196 G HA3 -0.025 3.935 3.960 0.000 0.000 0.212 196 G C 1.382 176.299 174.900 0.030 0.000 1.181 196 G CA -0.314 44.844 45.100 0.097 0.000 0.803 196 G HN 0.265 nan 8.290 nan 0.000 0.529 197 R N -0.099 120.354 120.500 -0.077 0.000 2.303 197 R HA 0.005 4.345 4.340 0.000 0.000 0.225 197 R C 1.966 177.688 176.300 -0.964 0.000 1.114 197 R CA 0.418 56.133 56.100 -0.641 0.000 1.007 197 R CB -0.313 29.700 30.300 -0.478 0.000 0.861 197 R HN 0.474 nan 8.270 nan 0.000 0.471 198 I N 0.942 121.112 120.570 -0.665 0.000 2.756 198 I HA -0.197 3.973 4.170 0.000 0.000 0.262 198 I C 1.419 177.410 176.117 -0.210 0.000 1.225 198 I CA 1.104 62.206 61.300 -0.330 0.000 1.472 198 I CB 0.158 38.129 38.000 -0.049 0.000 1.094 198 I HN 0.129 nan 8.210 nan 0.000 0.454 199 Q N 0.655 120.251 119.800 -0.339 0.000 2.403 199 Q HA -0.087 4.253 4.340 0.000 0.000 0.203 199 Q C 1.578 177.091 176.000 -0.813 0.000 0.932 199 Q CA 0.266 55.876 55.803 -0.321 0.000 0.945 199 Q CB -0.139 28.588 28.738 -0.018 0.000 1.045 199 Q HN 0.768 nan 8.270 nan 0.000 0.511 200 W N 0.981 121.472 121.300 -1.349 0.000 2.308 200 W HA -0.235 4.425 4.660 0.000 0.000 0.301 200 W C 1.241 177.458 176.519 -0.504 0.000 1.220 200 W CA 1.612 58.056 57.345 -1.501 0.000 1.240 200 W CB -1.363 27.451 29.460 -1.077 0.000 1.142 200 W HN 0.138 nan 8.180 nan 0.000 0.521 201 S N 0.187 114.998 115.700 -1.481 0.000 2.489 201 S HA -0.051 4.419 4.470 0.000 0.000 0.228 201 S C 0.819 175.149 174.600 -0.450 0.000 0.995 201 S CA 0.364 57.860 58.200 -1.173 0.000 0.934 201 S CB -0.686 61.723 63.200 -1.318 0.000 0.771 201 S HN 0.199 nan 8.310 nan 0.000 0.522 202 N N 1.742 120.285 118.700 -0.263 0.000 2.918 202 N HA 0.449 5.189 4.740 0.000 0.000 0.247 202 N C -1.315 174.286 175.510 0.151 0.000 1.117 202 N CA -0.054 52.983 53.050 -0.022 0.000 1.005 202 N CB 0.818 39.327 38.487 0.037 0.000 1.297 202 N HN 0.304 nan 8.380 nan 0.000 0.513 203 L N 1.668 122.958 121.223 0.112 0.000 2.393 203 L HA 0.453 4.793 4.340 0.000 0.000 0.260 203 L C -0.920 175.967 176.870 0.028 0.000 1.002 203 L CA -0.686 54.227 54.840 0.122 0.000 0.818 203 L CB 2.283 44.453 42.059 0.185 0.000 1.369 203 L HN 0.156 nan 8.230 nan 0.000 0.412 204 Q N 1.956 121.726 119.800 -0.049 0.000 2.333 204 Q HA 0.703 5.043 4.340 0.000 0.000 0.267 204 Q C -1.920 173.885 176.000 -0.325 0.000 1.012 204 Q CA -0.511 55.182 55.803 -0.184 0.000 0.824 204 Q CB 1.935 30.490 28.738 -0.306 0.000 1.290 204 Q HN 0.488 nan 8.270 nan 0.000 0.449 205 V N 4.663 124.441 119.914 -0.227 0.000 2.459 205 V HA 0.523 4.643 4.120 0.000 0.000 0.295 205 V C -0.855 175.224 176.094 -0.025 0.000 1.029 205 V CA -0.661 61.527 62.300 -0.186 0.000 0.874 205 V CB 1.082 32.860 31.823 -0.075 0.000 0.985 205 V HN 0.660 nan 8.190 nan 0.000 0.438 206 F N 2.560 122.371 119.950 -0.233 0.000 2.325 206 F HA 0.352 4.879 4.527 0.000 0.000 0.369 206 F C 0.442 176.072 175.800 -0.282 0.000 1.095 206 F CA -1.824 56.031 58.000 -0.242 0.000 1.082 206 F CB 1.019 39.858 39.000 -0.268 0.000 1.289 206 F HN 0.532 nan 8.300 nan 0.000 0.462 207 D N 3.190 123.566 120.400 -0.040 0.000 2.367 207 D HA 0.258 4.898 4.640 0.000 0.000 0.255 207 D C 0.520 176.684 176.300 -0.227 0.000 1.300 207 D CA 0.266 54.180 54.000 -0.143 0.000 0.959 207 D CB 0.750 41.500 40.800 -0.084 0.000 1.064 207 D HN 0.540 nan 8.370 nan 0.000 0.509 208 A N 4.622 127.182 122.820 -0.434 0.000 2.545 208 A HA 0.140 4.460 4.320 0.000 0.000 0.277 208 A C 1.835 179.134 177.584 -0.475 0.000 1.301 208 A CA -0.390 51.237 52.037 -0.684 0.000 0.935 208 A CB 0.015 18.164 19.000 -1.419 0.000 1.093 208 A HN 0.521 nan 8.150 nan 0.000 0.519 209 R N 1.002 121.332 120.500 -0.282 0.000 2.159 209 R HA -0.141 4.199 4.340 0.000 0.000 0.237 209 R C 1.182 177.390 176.300 -0.152 0.000 1.131 209 R CA 1.589 57.586 56.100 -0.173 0.000 0.982 209 R CB -0.238 30.020 30.300 -0.071 0.000 0.868 209 R HN 0.884 nan 8.270 nan 0.000 0.453 210 N N -0.288 118.335 118.700 -0.129 0.000 2.314 210 N HA -0.010 4.730 4.740 0.000 0.000 0.200 210 N C 0.357 175.844 175.510 -0.038 0.000 1.135 210 N CA -0.430 52.584 53.050 -0.061 0.000 0.835 210 N CB 0.137 38.611 38.487 -0.023 0.000 0.989 210 N HN 0.015 nan 8.380 nan 0.000 0.478 211 C N 1.521 120.753 119.300 -0.112 0.000 2.656 211 C HA 0.298 4.758 4.460 0.000 0.000 0.391 211 C C 1.669 176.744 174.990 0.141 0.000 1.300 211 C CA 0.308 59.330 59.018 0.007 0.000 2.302 211 C CB 0.624 28.332 27.740 -0.053 0.000 2.655 211 C HN 0.593 nan 8.230 nan 0.000 0.656 212 S N 0.811 116.684 115.700 0.289 0.000 2.800 212 S HA 0.241 4.711 4.470 0.000 0.000 0.266 212 S C -0.087 174.698 174.600 0.309 0.000 1.029 212 S CA 0.278 58.699 58.200 0.370 0.000 1.302 212 S CB -0.249 63.076 63.200 0.208 0.000 1.212 212 S HN 1.087 nan 8.310 nan 0.000 0.683 213 T N -1.298 113.439 114.554 0.305 0.000 2.883 213 T HA 0.838 5.188 4.350 0.000 0.000 0.301 213 T C 1.075 175.933 174.700 0.262 0.000 1.158 213 T CA -0.269 61.963 62.100 0.219 0.000 1.007 213 T CB 1.326 70.293 68.868 0.165 0.000 1.186 213 T HN 0.203 nan 8.240 nan 0.000 0.499 214 A N 0.519 123.478 122.820 0.232 0.000 1.902 214 A HA -0.082 4.239 4.320 0.000 0.000 0.217 214 A C 2.231 180.061 177.584 0.410 0.000 1.181 214 A CA 1.216 53.454 52.037 0.335 0.000 0.623 214 A CB -0.895 18.295 19.000 0.317 0.000 0.818 214 A HN 0.763 nan 8.150 nan 0.000 0.443 215 Q N -0.541 119.453 119.800 0.324 0.000 2.170 215 Q HA -0.187 4.154 4.340 0.000 0.000 0.203 215 Q C 1.874 177.899 176.000 0.042 0.000 0.976 215 Q CA 1.773 57.605 55.803 0.050 0.000 0.858 215 Q CB -0.173 28.635 28.738 0.118 0.000 0.907 215 Q HN 0.860 nan 8.270 nan 0.000 0.433 216 E N -0.675 119.626 120.200 0.168 0.000 2.112 216 E HA -0.066 4.284 4.350 0.000 0.000 0.190 216 E C 2.022 178.871 176.600 0.415 0.000 0.979 216 E CA 0.391 56.925 56.400 0.224 0.000 0.814 216 E CB 0.142 29.998 29.700 0.261 0.000 0.762 216 E HN 0.301 nan 8.360 nan 0.000 0.460 217 M N -0.012 119.848 119.600 0.433 0.000 2.077 217 M HA -0.139 4.341 4.480 0.000 0.000 0.261 217 M C 2.167 178.759 176.300 0.487 0.000 1.070 217 M CA 1.065 56.699 55.300 0.557 0.000 1.125 217 M CB -0.432 32.319 32.600 0.252 0.000 1.339 217 M HN 0.183 nan 8.290 nan 0.000 0.409 218 F N 1.911 121.905 119.950 0.074 0.000 2.085 218 F HA -0.330 4.197 4.527 0.000 0.000 0.299 218 F C 2.230 178.017 175.800 -0.022 0.000 1.096 218 F CA 2.066 60.013 58.000 -0.087 0.000 1.227 218 F CB -1.009 37.613 39.000 -0.630 0.000 0.983 218 F HN 0.227 nan 8.300 nan 0.000 0.482 219 Q N -1.332 118.456 119.800 -0.021 0.000 2.124 219 Q HA -0.216 4.124 4.340 0.000 0.000 0.202 219 Q C 2.007 177.954 176.000 -0.089 0.000 0.977 219 Q CA 1.965 57.651 55.803 -0.195 0.000 0.850 219 Q CB -0.365 28.215 28.738 -0.262 0.000 0.901 219 Q HN 0.578 nan 8.270 nan 0.000 0.429 220 H N -0.190 118.933 119.070 0.087 0.000 2.389 220 H HA -0.046 4.510 4.556 0.000 0.000 0.299 220 H C 1.802 177.248 175.328 0.195 0.000 1.081 220 H CA 1.352 57.443 56.048 0.072 0.000 1.345 220 H CB 0.094 29.880 29.762 0.040 0.000 1.393 220 H HN 0.175 nan 8.280 nan 0.000 0.520 221 I N -0.483 120.346 120.570 0.432 0.000 2.226 221 I HA -0.311 3.859 4.170 0.000 0.000 0.245 221 I C 1.999 178.313 176.117 0.328 0.000 1.100 221 I CA 0.824 62.378 61.300 0.423 0.000 1.374 221 I CB -0.267 37.977 38.000 0.406 0.000 1.057 221 I HN 0.393 nan 8.210 nan 0.000 0.413 222 C N 0.311 119.745 119.300 0.224 0.000 2.432 222 C HA -0.148 4.312 4.460 0.000 0.000 0.277 222 C C 2.964 178.028 174.990 0.124 0.000 1.249 222 C CA 0.760 59.855 59.018 0.128 0.000 1.725 222 C CB -1.196 26.529 27.740 -0.024 0.000 2.028 222 C HN 0.479 nan 8.230 nan 0.000 0.477 223 R N 0.045 120.596 120.500 0.085 0.000 2.105 223 R HA -0.195 4.146 4.340 0.000 0.000 0.239 223 R C 2.268 178.759 176.300 0.319 0.000 1.135 223 R CA 1.777 57.917 56.100 0.068 0.000 0.967 223 R CB -0.674 29.544 30.300 -0.137 0.000 0.861 223 R HN 0.757 nan 8.270 nan 0.000 0.442 224 H N 0.125 119.389 119.070 0.323 0.000 2.261 224 H HA -0.099 4.457 4.556 0.000 0.000 0.301 224 H C 2.211 177.730 175.328 0.318 0.000 1.067 224 H CA 1.981 58.317 56.048 0.481 0.000 1.297 224 H CB -0.072 29.902 29.762 0.352 0.000 1.377 224 H HN 0.180 nan 8.280 nan 0.000 0.492 225 I N 0.905 121.563 120.570 0.146 0.000 2.113 225 I HA -0.360 3.810 4.170 0.000 0.000 0.242 225 I C 2.896 179.039 176.117 0.045 0.000 1.064 225 I CA 1.291 62.594 61.300 0.005 0.000 1.320 225 I CB -0.367 37.662 38.000 0.048 0.000 1.028 225 I HN 0.357 nan 8.210 nan 0.000 0.406 226 L N -0.303 120.984 121.223 0.108 0.000 2.017 226 L HA -0.293 4.047 4.340 0.000 0.000 0.208 226 L C 2.743 179.680 176.870 0.112 0.000 1.073 226 L CA 1.660 56.553 54.840 0.090 0.000 0.745 226 L CB -0.467 41.643 42.059 0.085 0.000 0.894 226 L HN 0.247 nan 8.230 nan 0.000 0.432 227 Y N 0.242 120.619 120.300 0.129 0.000 2.145 227 Y HA -0.283 4.267 4.550 0.000 0.000 0.286 227 Y C 2.355 178.308 175.900 0.087 0.000 1.145 227 Y CA 1.753 59.954 58.100 0.169 0.000 1.148 227 Y CB -0.496 38.206 38.460 0.405 0.000 0.981 227 Y HN 0.238 nan 8.280 nan 0.000 0.507 228 A N -0.395 122.479 122.820 0.090 0.000 1.877 228 A HA -0.190 4.130 4.320 0.000 0.000 0.216 228 A C 2.225 179.749 177.584 -0.101 0.000 1.186 228 A CA 2.379 54.381 52.037 -0.059 0.000 0.620 228 A CB -1.427 17.476 19.000 -0.162 0.000 0.822 228 A HN 0.536 nan 8.150 nan 0.000 0.443 229 T N -0.226 114.289 114.554 -0.065 0.000 2.652 229 T HA -0.168 4.182 4.350 0.000 0.000 0.267 229 T C 1.175 175.835 174.700 -0.068 0.000 1.039 229 T CA 1.571 63.648 62.100 -0.039 0.000 1.153 229 T CB -0.478 68.379 68.868 -0.018 0.000 0.863 229 T HN 0.667 nan 8.240 nan 0.000 0.428 230 N N 1.667 120.306 118.700 -0.101 0.000 2.716 230 N HA -0.266 4.474 4.740 0.000 0.000 0.250 230 N C -0.047 175.418 175.510 -0.076 0.000 1.033 230 N CA 0.941 53.919 53.050 -0.119 0.000 0.727 230 N CB -2.161 36.209 38.487 -0.195 0.000 0.950 230 N HN 0.650 nan 8.380 nan 0.000 0.541 231 N N -1.656 117.011 118.700 -0.054 0.000 2.738 231 N HA -0.230 4.510 4.740 0.000 0.000 0.249 231 N C 0.942 176.420 175.510 -0.053 0.000 1.047 231 N CA 1.214 54.236 53.050 -0.047 0.000 0.707 231 N CB -1.266 37.194 38.487 -0.044 0.000 0.937 231 N HN 1.083 nan 8.380 nan 0.000 0.545 232 G N 0.441 109.211 108.800 -0.049 0.000 2.336 232 G HA2 -0.348 3.612 3.960 0.000 0.000 0.233 232 G HA3 -0.348 3.612 3.960 0.000 0.000 0.233 232 G C -0.007 174.865 174.900 -0.046 0.000 1.053 232 G CA 0.374 45.444 45.100 -0.050 0.000 0.625 232 G HN 0.631 nan 8.290 nan 0.000 0.511 233 N N 1.862 120.524 118.700 -0.063 0.000 2.895 233 N HA 0.336 5.076 4.740 0.000 0.000 0.277 233 N C 0.631 176.100 175.510 -0.068 0.000 1.185 233 N CA -0.707 52.294 53.050 -0.081 0.000 1.106 233 N CB -0.172 38.264 38.487 -0.084 0.000 1.422 233 N HN 0.238 nan 8.380 nan 0.000 0.521 234 I N 2.330 122.885 120.570 -0.026 0.000 2.845 234 I HA -0.082 4.088 4.170 0.000 0.000 0.296 234 I C 0.766 176.951 176.117 0.114 0.000 1.216 234 I CA 0.981 62.319 61.300 0.062 0.000 1.438 234 I CB 0.046 38.166 38.000 0.201 0.000 1.342 234 I HN 0.425 nan 8.210 nan 0.000 0.577 235 R N 3.818 124.363 120.500 0.075 0.000 2.513 235 R HA 0.348 4.688 4.340 0.000 0.000 0.301 235 R C -0.507 175.885 176.300 0.154 0.000 0.968 235 R CA -0.609 55.556 56.100 0.108 0.000 0.872 235 R CB 1.924 32.143 30.300 -0.135 0.000 1.177 235 R HN 0.550 nan 8.270 nan 0.000 0.444 236 S N 1.661 117.467 115.700 0.176 0.000 2.533 236 S HA 0.488 4.958 4.470 0.000 0.000 0.282 236 S C -0.282 174.348 174.600 0.049 0.000 1.304 236 S CA -0.156 58.052 58.200 0.014 0.000 1.063 236 S CB 1.187 64.319 63.200 -0.113 0.000 0.881 236 S HN 0.702 nan 8.310 nan 0.000 0.493 237 A N 2.962 125.786 122.820 0.006 0.000 2.599 237 A HA 0.863 5.183 4.320 0.000 0.000 0.290 237 A C -1.326 176.279 177.584 0.035 0.000 1.101 237 A CA -0.697 51.319 52.037 -0.035 0.000 0.674 237 A CB 1.182 20.147 19.000 -0.057 0.000 1.277 237 A HN 0.798 nan 8.150 nan 0.000 0.419 238 I N -0.053 120.362 120.570 -0.257 0.000 2.827 238 I HA 0.665 4.835 4.170 0.000 0.000 0.298 238 I C -1.036 174.777 176.117 -0.506 0.000 1.235 238 I CA -0.114 61.020 61.300 -0.275 0.000 1.021 238 I CB 2.419 40.349 38.000 -0.117 0.000 1.259 238 I HN 0.723 nan 8.210 nan 0.000 0.427 239 T N 6.510 120.781 114.554 -0.471 0.000 2.864 239 T HA 0.467 4.817 4.350 0.000 0.000 0.310 239 T C -0.935 173.580 174.700 -0.310 0.000 1.040 239 T CA -0.357 61.513 62.100 -0.384 0.000 0.977 239 T CB 0.396 69.038 68.868 -0.376 0.000 0.976 239 T HN 0.307 nan 8.240 nan 0.000 0.459 240 V N 7.434 127.145 119.914 -0.338 0.000 2.405 240 V HA 0.361 4.481 4.120 0.000 0.000 0.264 240 V C 0.090 175.936 176.094 -0.414 0.000 1.048 240 V CA -0.272 61.837 62.300 -0.317 0.000 0.966 240 V CB -0.703 30.865 31.823 -0.424 0.000 1.015 240 V HN 0.758 nan 8.190 nan 0.000 0.477 241 F N 5.894 125.769 119.950 -0.126 0.000 2.362 241 F HA 0.442 4.969 4.527 0.000 0.000 0.311 241 F C -1.712 173.982 175.800 -0.177 0.000 1.161 241 F CA -2.389 55.486 58.000 -0.208 0.000 1.085 241 F CB 0.278 39.188 39.000 -0.150 0.000 1.311 241 F HN 0.307 nan 8.300 nan 0.000 0.524 242 P HA -0.033 nan 4.420 nan 0.000 0.262 242 P C -0.914 176.415 177.300 0.048 0.000 1.182 242 P CA 0.028 62.975 63.100 -0.254 0.000 0.761 242 P CB 0.176 31.428 31.700 -0.746 0.000 0.795 243 Q N 3.491 123.361 119.800 0.118 0.000 2.793 243 Q HA 0.030 4.370 4.340 0.000 0.000 0.220 243 Q C 0.123 176.072 176.000 -0.085 0.000 1.123 243 Q CA -0.211 55.449 55.803 -0.239 0.000 1.073 243 Q CB 0.472 28.832 28.738 -0.630 0.000 1.315 243 Q HN 0.334 nan 8.270 nan 0.000 0.619 244 R N 0.279 120.671 120.500 -0.180 0.000 2.308 244 R HA 0.138 4.478 4.340 0.000 0.000 0.305 244 R C 0.203 176.492 176.300 -0.017 0.000 1.053 244 R CA 0.446 56.533 56.100 -0.021 0.000 0.957 244 R CB 0.893 31.172 30.300 -0.035 0.000 1.022 244 R HN 0.910 nan 8.270 nan 0.000 0.461 245 S N 3.113 118.855 115.700 0.069 0.000 2.566 245 S HA -0.051 4.419 4.470 0.000 0.000 0.166 245 S C 1.094 175.724 174.600 0.050 0.000 0.811 245 S CA 0.449 58.692 58.200 0.072 0.000 0.940 245 S CB -0.275 63.012 63.200 0.146 0.000 0.768 245 S HN 0.809 nan 8.310 nan 0.000 0.534 246 D N 0.366 120.799 120.400 0.056 0.000 2.214 246 D HA 0.266 4.906 4.640 0.000 0.000 0.217 246 D C 1.577 177.870 176.300 -0.012 0.000 0.973 246 D CA 1.434 55.436 54.000 0.004 0.000 0.880 246 D CB -0.543 40.233 40.800 -0.041 0.000 1.031 246 D HN 0.742 nan 8.370 nan 0.000 0.468 247 G N 0.055 108.846 108.800 -0.016 0.000 3.465 247 G HA2 -0.134 3.826 3.960 0.000 0.000 0.219 247 G HA3 -0.134 3.826 3.960 0.000 0.000 0.219 247 G C 1.111 176.004 174.900 -0.012 0.000 0.984 247 G CA -0.024 45.072 45.100 -0.006 0.000 0.864 247 G HN 0.240 nan 8.290 nan 0.000 0.485 248 K N 0.208 120.551 120.400 -0.094 0.000 2.404 248 K HA 0.212 4.532 4.320 0.000 0.000 0.194 248 K C 0.101 176.671 176.600 -0.051 0.000 1.023 248 K CA 0.079 56.299 56.287 -0.111 0.000 1.094 248 K CB 0.112 32.484 32.500 -0.213 0.000 0.841 248 K HN 0.526 nan 8.250 nan 0.000 0.523 249 H N 0.907 120.004 119.070 0.045 0.000 2.412 249 H HA 0.158 4.714 4.556 0.000 0.000 0.239 249 H C -0.981 174.382 175.328 0.058 0.000 1.388 249 H CA -0.731 55.337 56.048 0.033 0.000 1.148 249 H CB 0.431 30.227 29.762 0.057 0.000 1.637 249 H HN -0.033 nan 8.280 nan 0.000 0.542 250 D N 0.845 121.340 120.400 0.158 0.000 2.210 250 D HA 0.091 4.731 4.640 0.000 0.000 0.249 250 D C -0.242 176.103 176.300 0.074 0.000 1.078 250 D CA -0.149 53.956 54.000 0.174 0.000 0.875 250 D CB 1.157 42.057 40.800 0.167 0.000 1.175 250 D HN 0.207 nan 8.370 nan 0.000 0.440 251 F N 2.596 122.622 119.950 0.127 0.000 2.391 251 F HA 0.347 4.874 4.527 0.000 0.000 0.359 251 F C 0.887 176.724 175.800 0.062 0.000 1.122 251 F CA -0.392 57.652 58.000 0.075 0.000 1.120 251 F CB 0.773 39.819 39.000 0.075 0.000 1.142 251 F HN -0.158 nan 8.300 nan 0.000 0.483 252 R N 3.652 124.257 120.500 0.175 0.000 2.673 252 R HA 0.569 4.909 4.340 0.000 0.000 0.281 252 R C -1.649 174.779 176.300 0.213 0.000 0.991 252 R CA -1.177 55.054 56.100 0.219 0.000 0.896 252 R CB 2.181 32.686 30.300 0.341 0.000 1.201 252 R HN 0.480 nan 8.270 nan 0.000 0.457 253 L N 1.750 123.091 121.223 0.197 0.000 2.272 253 L HA 0.380 4.721 4.340 0.000 0.000 0.289 253 L C 0.653 177.761 176.870 0.398 0.000 1.032 253 L CA -0.225 54.726 54.840 0.184 0.000 0.810 253 L CB 0.863 42.959 42.059 0.061 0.000 1.205 253 L HN 0.549 nan 8.230 nan 0.000 0.422 254 W N 0.671 122.051 121.300 0.132 0.000 2.800 254 W HA 0.056 4.716 4.660 0.000 0.000 0.249 254 W C 0.531 177.211 176.519 0.269 0.000 1.294 254 W CA -0.615 56.925 57.345 0.325 0.000 1.402 254 W CB -1.043 28.695 29.460 0.463 0.000 1.126 254 W HN 0.511 nan 8.180 nan 0.000 0.652 255 N N -0.368 118.451 118.700 0.199 0.000 2.482 255 N HA 0.050 4.790 4.740 0.000 0.000 0.260 255 N C 1.168 176.492 175.510 -0.309 0.000 1.236 255 N CA 0.482 53.308 53.050 -0.374 0.000 0.938 255 N CB 0.746 39.114 38.487 -0.199 0.000 1.128 255 N HN -0.272 nan 8.380 nan 0.000 0.448 256 S N 0.137 115.568 115.700 -0.449 0.000 2.368 256 S HA -0.151 4.320 4.470 0.000 0.000 0.225 256 S C 0.481 174.951 174.600 -0.217 0.000 1.030 256 S CA 1.108 59.161 58.200 -0.245 0.000 0.999 256 S CB -0.404 62.673 63.200 -0.205 0.000 0.844 256 S HN 0.797 nan 8.310 nan 0.000 0.459 257 Q N -1.235 118.420 119.800 -0.241 0.000 2.534 257 Q HA 0.482 4.822 4.340 0.000 0.000 0.290 257 Q C -0.146 175.713 176.000 -0.235 0.000 0.991 257 Q CA -0.957 54.708 55.803 -0.230 0.000 0.783 257 Q CB 0.602 29.230 28.738 -0.183 0.000 1.470 257 Q HN -0.112 nan 8.270 nan 0.000 0.406 258 L N 0.418 121.516 121.223 -0.209 0.000 1.944 258 L HA -0.044 4.296 4.340 0.000 0.000 0.218 258 L C 0.863 177.571 176.870 -0.271 0.000 1.075 258 L CA 1.882 56.617 54.840 -0.175 0.000 0.767 258 L CB -0.656 41.333 42.059 -0.118 0.000 0.890 258 L HN 0.667 nan 8.230 nan 0.000 0.434 259 I N -1.288 119.025 120.570 -0.428 0.000 2.385 259 I HA 0.444 4.614 4.170 0.000 0.000 0.294 259 I C 0.020 175.467 176.117 -1.117 0.000 0.988 259 I CA -0.107 60.752 61.300 -0.735 0.000 1.265 259 I CB 1.401 38.872 38.000 -0.881 0.000 1.388 259 I HN 0.103 nan 8.210 nan 0.000 0.480 260 R N 4.067 123.999 120.500 -0.947 0.000 2.664 260 R HA 0.442 4.783 4.340 0.000 0.000 0.260 260 R C -1.949 174.076 176.300 -0.459 0.000 1.062 260 R CA -0.803 54.890 56.100 -0.679 0.000 0.902 260 R CB 0.805 30.912 30.300 -0.321 0.000 1.258 260 R HN 0.330 nan 8.270 nan 0.000 0.465 261 Y N 1.296 121.581 120.300 -0.026 0.000 2.307 261 Y HA 0.653 5.203 4.550 0.000 0.000 0.324 261 Y C 0.965 176.848 175.900 -0.028 0.000 1.238 261 Y CA -0.082 58.039 58.100 0.035 0.000 1.280 261 Y CB 1.235 39.804 38.460 0.182 0.000 1.248 261 Y HN 0.736 nan 8.280 nan 0.000 0.508 262 A N 0.893 123.777 122.820 0.106 0.000 2.313 262 A HA 0.686 5.006 4.320 0.000 0.000 0.261 262 A C 0.338 177.686 177.584 -0.392 0.000 1.090 262 A CA 0.178 52.102 52.037 -0.188 0.000 0.807 262 A CB -0.131 18.733 19.000 -0.225 0.000 1.055 262 A HN 0.936 nan 8.150 nan 0.000 0.492 263 G N 0.030 108.501 108.800 -0.550 0.000 2.744 263 G HA2 0.568 4.528 3.960 0.000 0.000 0.286 263 G HA3 0.568 4.528 3.960 0.000 0.000 0.286 263 G C -1.348 173.315 174.900 -0.395 0.000 1.497 263 G CA -0.286 44.557 45.100 -0.427 0.000 1.070 263 G HN 0.548 nan 8.290 nan 0.000 0.539 264 Y N 0.405 120.751 120.300 0.076 0.000 2.364 264 Y HA 0.550 5.100 4.550 0.000 0.000 0.340 264 Y C 0.417 176.380 175.900 0.106 0.000 0.975 264 Y CA -1.218 56.952 58.100 0.117 0.000 1.089 264 Y CB 2.005 40.595 38.460 0.217 0.000 1.192 264 Y HN 0.512 nan 8.280 nan 0.000 0.454 265 Q N 4.006 123.950 119.800 0.240 0.000 2.293 265 Q HA 0.301 4.641 4.340 0.000 0.000 0.263 265 Q C -0.634 175.463 176.000 0.161 0.000 1.002 265 Q CA -0.531 55.364 55.803 0.153 0.000 0.910 265 Q CB 0.602 29.401 28.738 0.103 0.000 1.185 265 Q HN 0.620 nan 8.270 nan 0.000 0.401 266 M N 5.205 124.875 119.600 0.116 0.000 2.267 266 M HA 0.202 4.682 4.480 0.000 0.000 0.303 266 M C -1.487 174.826 176.300 0.021 0.000 1.164 266 M CA -2.181 53.154 55.300 0.059 0.000 1.060 266 M CB 0.031 32.654 32.600 0.039 0.000 1.455 266 M HN 0.557 nan 8.290 nan 0.000 0.483 267 P HA -0.159 nan 4.420 nan 0.000 0.215 267 P C 0.350 177.643 177.300 -0.012 0.000 1.157 267 P CA 1.490 64.576 63.100 -0.023 0.000 0.863 267 P CB -0.319 31.347 31.700 -0.057 0.000 0.787 268 D N -0.724 119.667 120.400 -0.015 0.000 2.403 268 D HA -0.001 4.639 4.640 0.000 0.000 0.260 268 D C 1.319 177.623 176.300 0.006 0.000 1.243 268 D CA 0.788 54.784 54.000 -0.006 0.000 0.918 268 D CB -0.988 39.806 40.800 -0.010 0.000 0.939 268 D HN 0.300 nan 8.370 nan 0.000 0.507 269 G N 0.944 109.751 108.800 0.012 0.000 2.302 269 G HA2 -0.388 3.572 3.960 0.000 0.000 0.263 269 G HA3 -0.388 3.572 3.960 0.000 0.000 0.263 269 G C 0.767 175.683 174.900 0.027 0.000 0.995 269 G CA 1.086 46.198 45.100 0.020 0.000 0.622 269 G HN 0.714 nan 8.290 nan 0.000 0.538 270 T N -1.136 113.434 114.554 0.028 0.000 2.753 270 T HA 0.660 5.010 4.350 0.000 0.000 0.309 270 T C 0.420 175.149 174.700 0.048 0.000 1.043 270 T CA 0.167 62.288 62.100 0.034 0.000 0.964 270 T CB 1.385 70.271 68.868 0.031 0.000 1.206 270 T HN 0.758 nan 8.240 nan 0.000 0.528 271 I N 0.235 120.834 120.570 0.048 0.000 2.586 271 I HA 0.390 4.560 4.170 0.000 0.000 0.288 271 I C 0.037 176.182 176.117 0.047 0.000 1.147 271 I CA -0.774 60.559 61.300 0.056 0.000 1.047 271 I CB 2.195 40.211 38.000 0.027 0.000 1.244 271 I HN 0.553 nan 8.210 nan 0.000 0.429 272 R N 2.976 123.539 120.500 0.104 0.000 2.643 272 R HA 0.742 5.082 4.340 0.000 0.000 0.272 272 R C 0.526 176.824 176.300 -0.003 0.000 0.995 272 R CA 0.362 56.522 56.100 0.100 0.000 1.032 272 R CB 1.820 32.264 30.300 0.240 0.000 1.126 272 R HN 0.899 nan 8.270 nan 0.000 0.505 273 G N 1.683 110.415 108.800 -0.112 0.000 2.569 273 G HA2 -0.294 3.667 3.960 0.000 0.000 0.259 273 G HA3 -0.294 3.667 3.960 0.000 0.000 0.259 273 G C -0.761 173.720 174.900 -0.699 0.000 1.263 273 G CA 0.002 44.930 45.100 -0.286 0.000 0.928 273 G HN 0.625 nan 8.290 nan 0.000 0.572 274 D N 1.478 121.591 120.400 -0.478 0.000 2.344 274 D HA 0.554 5.194 4.640 0.000 0.000 0.253 274 D C 1.466 177.647 176.300 -0.198 0.000 1.255 274 D CA 0.882 54.646 54.000 -0.392 0.000 0.894 274 D CB 0.704 41.603 40.800 0.165 0.000 1.067 274 D HN 0.919 nan 8.370 nan 0.000 0.492 275 A N 4.015 126.715 122.820 -0.200 0.000 2.070 275 A HA -0.075 4.245 4.320 0.000 0.000 0.220 275 A C 2.086 179.673 177.584 0.005 0.000 1.159 275 A CA 1.678 53.671 52.037 -0.073 0.000 0.656 275 A CB -0.302 18.671 19.000 -0.045 0.000 0.800 275 A HN 0.625 nan 8.150 nan 0.000 0.453 276 A N -0.131 122.714 122.820 0.041 0.000 1.902 276 A HA -0.062 4.258 4.320 0.000 0.000 0.217 276 A C 2.063 179.698 177.584 0.084 0.000 1.181 276 A CA 2.004 54.096 52.037 0.092 0.000 0.623 276 A CB -1.198 17.878 19.000 0.126 0.000 0.818 276 A HN 0.834 nan 8.150 nan 0.000 0.443 277 T N -2.132 112.458 114.554 0.059 0.000 3.332 277 T HA 0.455 4.805 4.350 0.000 0.000 0.246 277 T C 1.102 175.818 174.700 0.027 0.000 0.943 277 T CA -0.078 62.056 62.100 0.057 0.000 0.922 277 T CB -0.267 68.627 68.868 0.045 0.000 1.086 277 T HN 0.262 nan 8.240 nan 0.000 0.590 278 L N 0.132 121.368 121.223 0.021 0.000 2.023 278 L HA 0.034 4.374 4.340 0.000 0.000 0.205 278 L C 2.949 179.817 176.870 -0.003 0.000 1.073 278 L CA 1.602 56.443 54.840 0.001 0.000 0.745 278 L CB -0.278 41.794 42.059 0.022 0.000 0.900 278 L HN 0.454 nan 8.230 nan 0.000 0.435 279 E N -0.185 120.021 120.200 0.010 0.000 2.031 279 E HA -0.303 4.047 4.350 0.000 0.000 0.193 279 E C 2.175 178.673 176.600 -0.169 0.000 0.994 279 E CA 1.545 57.914 56.400 -0.052 0.000 0.800 279 E CB -0.203 29.492 29.700 -0.007 0.000 0.752 279 E HN 0.344 nan 8.360 nan 0.000 0.447 280 F N 1.333 121.096 119.950 -0.312 0.000 2.202 280 F HA -0.198 4.329 4.527 0.000 0.000 0.301 280 F C 2.292 177.924 175.800 -0.280 0.000 1.082 280 F CA 1.828 59.579 58.000 -0.415 0.000 1.313 280 F CB -0.352 38.459 39.000 -0.315 0.000 1.024 280 F HN 0.019 nan 8.300 nan 0.000 0.495 281 T N -0.572 113.902 114.554 -0.132 0.000 2.770 281 T HA -0.223 4.127 4.350 0.000 0.000 0.263 281 T C 1.754 176.382 174.700 -0.119 0.000 1.039 281 T CA 1.477 63.481 62.100 -0.160 0.000 1.142 281 T CB -0.310 68.488 68.868 -0.116 0.000 0.868 281 T HN 0.231 nan 8.240 nan 0.000 0.435 282 Q N 0.960 120.712 119.800 -0.080 0.000 2.112 282 Q HA -0.110 4.230 4.340 0.000 0.000 0.206 282 Q C 2.113 178.054 176.000 -0.098 0.000 0.987 282 Q CA 1.397 57.180 55.803 -0.033 0.000 0.858 282 Q CB -0.859 27.865 28.738 -0.023 0.000 0.905 282 Q HN 0.439 nan 8.270 nan 0.000 0.420 283 L N -0.231 120.847 121.223 -0.243 0.000 1.990 283 L HA -0.234 4.106 4.340 0.000 0.000 0.213 283 L C 2.240 178.973 176.870 -0.228 0.000 1.072 283 L CA 2.236 56.907 54.840 -0.281 0.000 0.755 283 L CB -1.092 40.644 42.059 -0.538 0.000 0.889 283 L HN 0.448 nan 8.230 nan 0.000 0.432 284 C N -0.326 118.761 119.300 -0.355 0.000 2.413 284 C HA -0.150 4.310 4.460 0.000 0.000 0.277 284 C C 2.704 177.725 174.990 0.052 0.000 1.265 284 C CA 0.490 59.357 59.018 -0.251 0.000 1.752 284 C CB -1.145 26.309 27.740 -0.476 0.000 1.998 284 C HN 0.593 nan 8.230 nan 0.000 0.489 285 I N 1.453 122.090 120.570 0.112 0.000 2.286 285 I HA -0.140 4.030 4.170 0.000 0.000 0.248 285 I C 2.122 178.289 176.117 0.082 0.000 1.115 285 I CA 1.719 63.113 61.300 0.156 0.000 1.392 285 I CB -1.449 36.630 38.000 0.133 0.000 1.065 285 I HN 0.368 nan 8.210 nan 0.000 0.418 286 D N 0.987 121.417 120.400 0.049 0.000 2.117 286 D HA -0.113 4.527 4.640 0.000 0.000 0.197 286 D C 1.847 178.184 176.300 0.061 0.000 0.987 286 D CA 0.980 55.016 54.000 0.061 0.000 0.829 286 D CB -0.186 40.658 40.800 0.074 0.000 0.961 286 D HN 0.314 nan 8.370 nan 0.000 0.460 287 L N 0.291 121.535 121.223 0.036 0.000 2.777 287 L HA 0.208 4.548 4.340 0.000 0.000 0.244 287 L C 1.187 178.057 176.870 0.000 0.000 1.235 287 L CA -0.027 54.808 54.840 -0.008 0.000 1.062 287 L CB -0.737 41.278 42.059 -0.073 0.000 1.340 287 L HN 0.050 nan 8.230 nan 0.000 0.439 288 G N -0.587 108.232 108.800 0.032 0.000 2.225 288 G HA2 -0.314 3.646 3.960 0.000 0.000 0.267 288 G HA3 -0.314 3.646 3.960 0.000 0.000 0.267 288 G C -0.088 174.856 174.900 0.073 0.000 1.024 288 G CA 0.004 45.123 45.100 0.030 0.000 0.784 288 G HN 0.554 nan 8.290 nan 0.000 0.507 289 W N 1.249 122.500 121.300 -0.083 0.000 2.202 289 W HA 0.597 5.257 4.660 0.000 0.000 0.332 289 W C 0.422 176.906 176.519 -0.059 0.000 1.263 289 W CA -1.045 56.253 57.345 -0.079 0.000 1.223 289 W CB 0.691 30.092 29.460 -0.097 0.000 1.128 289 W HN 0.004 nan 8.180 nan 0.000 0.573 290 K N 7.533 127.399 120.400 -0.889 0.000 2.262 290 K HA 0.147 4.467 4.320 0.000 0.000 0.288 290 K C -2.292 173.496 176.600 -1.352 0.000 1.090 290 K CA -1.591 54.196 56.287 -0.833 0.000 0.918 290 K CB 0.190 32.368 32.500 -0.535 0.000 1.139 290 K HN 0.304 nan 8.250 nan 0.000 0.462 291 P HA 0.130 nan 4.420 nan 0.000 0.268 291 P C -0.319 176.491 177.300 -0.817 0.000 1.282 291 P CA -0.265 62.226 63.100 -1.014 0.000 0.880 291 P CB 0.387 31.526 31.700 -0.936 0.000 0.971 292 R N 2.092 122.245 120.500 -0.578 0.000 2.323 292 R HA 0.049 4.389 4.340 0.000 0.000 0.198 292 R C 0.062 176.290 176.300 -0.120 0.000 0.988 292 R CA -0.217 55.742 56.100 -0.234 0.000 1.041 292 R CB -1.184 29.070 30.300 -0.077 0.000 0.926 292 R HN 0.347 nan 8.270 nan 0.000 0.476 293 Y N -0.152 119.904 120.300 -0.407 0.000 2.961 293 Y HA -0.236 4.314 4.550 0.000 0.000 0.184 293 Y C 0.949 176.778 175.900 -0.117 0.000 1.515 293 Y CA 0.821 58.548 58.100 -0.621 0.000 0.883 293 Y CB -1.488 36.663 38.460 -0.516 0.000 1.412 293 Y HN 0.352 nan 8.280 nan 0.000 0.362 294 G N 0.644 109.631 108.800 0.313 0.000 2.788 294 G HA2 0.598 4.558 3.960 0.000 0.000 0.293 294 G HA3 0.598 4.558 3.960 0.000 0.000 0.293 294 G C 0.195 175.254 174.900 0.264 0.000 1.392 294 G CA -1.028 44.229 45.100 0.262 0.000 0.810 294 G HN 0.242 nan 8.290 nan 0.000 0.508 295 R N -1.355 119.193 120.500 0.080 0.000 2.127 295 R HA 0.164 4.504 4.340 0.000 0.000 0.217 295 R C -0.123 175.834 176.300 -0.571 0.000 1.074 295 R CA 0.930 56.904 56.100 -0.209 0.000 0.991 295 R CB 0.022 30.131 30.300 -0.318 0.000 0.895 295 R HN 0.316 nan 8.270 nan 0.000 0.450 296 F N 1.063 121.003 119.950 -0.016 0.000 2.550 296 F HA 0.279 4.806 4.527 0.000 0.000 0.348 296 F C -0.961 174.863 175.800 0.039 0.000 1.219 296 F CA -1.095 56.687 58.000 -0.364 0.000 1.203 296 F CB 0.972 39.615 39.000 -0.596 0.000 1.436 296 F HN -0.300 nan 8.300 nan 0.000 0.541 297 D N 1.768 122.383 120.400 0.359 0.000 2.414 297 D HA 0.273 4.913 4.640 0.000 0.000 0.232 297 D C -0.135 176.443 176.300 0.464 0.000 1.070 297 D CA -0.195 54.059 54.000 0.422 0.000 0.839 297 D CB 2.342 43.418 40.800 0.460 0.000 1.079 297 D HN -0.013 nan 8.370 nan 0.000 0.521 298 V N 3.416 123.570 119.914 0.400 0.000 2.557 298 V HA -0.054 4.066 4.120 0.000 0.000 0.301 298 V C 1.124 177.265 176.094 0.078 0.000 1.026 298 V CA -0.043 62.361 62.300 0.172 0.000 1.137 298 V CB -0.011 31.859 31.823 0.078 0.000 0.917 298 V HN 0.384 nan 8.190 nan 0.000 0.484 299 L N 8.307 129.466 121.223 -0.107 0.000 2.467 299 L HA 0.275 4.615 4.340 0.000 0.000 0.270 299 L C -1.615 175.048 176.870 -0.346 0.000 1.205 299 L CA -1.261 53.382 54.840 -0.328 0.000 0.828 299 L CB 0.726 42.651 42.059 -0.224 0.000 1.101 299 L HN 0.493 nan 8.230 nan 0.000 0.479 300 P HA 0.108 nan 4.420 nan 0.000 0.276 300 P C -0.967 176.168 177.300 -0.275 0.000 1.244 300 P CA -0.662 62.171 63.100 -0.445 0.000 0.801 300 P CB 1.190 32.417 31.700 -0.788 0.000 1.006 301 L N 2.286 123.385 121.223 -0.206 0.000 2.290 301 L HA 0.210 4.550 4.340 0.000 0.000 0.284 301 L C -0.141 176.629 176.870 -0.166 0.000 1.078 301 L CA -0.199 54.558 54.840 -0.137 0.000 0.815 301 L CB 0.861 42.829 42.059 -0.150 0.000 1.162 301 L HN 0.101 nan 8.230 nan 0.000 0.435 302 V N 6.364 126.230 119.914 -0.080 0.000 2.357 302 V HA 0.519 4.639 4.120 0.000 0.000 0.284 302 V C -0.386 175.597 176.094 -0.186 0.000 1.018 302 V CA -0.569 61.617 62.300 -0.190 0.000 0.841 302 V CB 1.434 33.212 31.823 -0.075 0.000 0.991 302 V HN 0.467 nan 8.190 nan 0.000 0.437 303 L N 4.996 126.046 121.223 -0.290 0.000 2.371 303 L HA 0.735 5.075 4.340 0.000 0.000 0.262 303 L C -0.422 176.270 176.870 -0.296 0.000 1.006 303 L CA -0.523 54.198 54.840 -0.199 0.000 0.818 303 L CB 2.222 44.279 42.059 -0.003 0.000 1.354 303 L HN 0.806 nan 8.230 nan 0.000 0.415 304 Q N 1.108 120.780 119.800 -0.213 0.000 2.285 304 Q HA 0.935 5.275 4.340 0.000 0.000 0.269 304 Q C -1.319 174.584 176.000 -0.162 0.000 1.030 304 Q CA -0.796 54.891 55.803 -0.192 0.000 0.788 304 Q CB 2.357 30.988 28.738 -0.179 0.000 1.266 304 Q HN 0.711 nan 8.270 nan 0.000 0.438 305 A N 2.062 124.741 122.820 -0.235 0.000 2.326 305 A HA 0.542 4.862 4.320 0.000 0.000 0.303 305 A C 0.224 177.348 177.584 -0.767 0.000 1.164 305 A CA 0.194 51.877 52.037 -0.591 0.000 0.929 305 A CB 0.283 19.143 19.000 -0.234 0.000 1.363 305 A HN 0.993 nan 8.150 nan 0.000 0.498 306 D N -0.931 118.705 120.400 -1.274 0.000 3.088 306 D HA -0.279 4.361 4.640 0.000 0.000 0.553 306 D C 1.297 177.462 176.300 -0.225 0.000 0.552 306 D CA 3.551 57.177 54.000 -0.622 0.000 1.445 306 D CB -0.897 39.704 40.800 -0.331 0.000 0.247 306 D HN 0.908 nan 8.370 nan 0.000 0.213 307 G N -1.535 107.244 108.800 -0.034 0.000 3.314 307 G HA2 0.173 4.133 3.960 0.000 0.000 0.230 307 G HA3 0.173 4.133 3.960 0.000 0.000 0.230 307 G C -0.046 174.934 174.900 0.133 0.000 1.058 307 G CA -0.071 45.106 45.100 0.127 0.000 0.926 307 G HN 0.222 nan 8.290 nan 0.000 0.564 308 Q N 1.608 121.429 119.800 0.035 0.000 2.523 308 Q HA 0.128 4.468 4.340 0.000 0.000 0.283 308 Q C -0.018 176.042 176.000 0.100 0.000 1.140 308 Q CA 0.479 56.299 55.803 0.028 0.000 0.981 308 Q CB 0.469 29.176 28.738 -0.051 0.000 1.310 308 Q HN 0.251 nan 8.270 nan 0.000 0.483 309 D N 2.093 122.516 120.400 0.039 0.000 2.372 309 D HA 0.142 4.782 4.640 0.000 0.000 0.243 309 D C -2.082 174.082 176.300 -0.227 0.000 1.121 309 D CA -1.105 52.902 54.000 0.011 0.000 0.898 309 D CB 0.163 40.823 40.800 -0.234 0.000 1.202 309 D HN 0.322 nan 8.370 nan 0.000 0.428 310 P HA 0.023 nan 4.420 nan 0.000 0.265 310 P C -0.634 176.348 177.300 -0.530 0.000 1.193 310 P CA 0.215 62.910 63.100 -0.675 0.000 0.765 310 P CB 0.834 31.776 31.700 -1.263 0.000 0.823 311 E N 1.361 121.245 120.200 -0.527 0.000 2.158 311 E HA 0.298 4.648 4.350 0.000 0.000 0.271 311 E C -0.544 175.527 176.600 -0.880 0.000 0.911 311 E CA -1.092 54.910 56.400 -0.663 0.000 0.767 311 E CB 1.649 30.945 29.700 -0.674 0.000 1.120 311 E HN 0.203 nan 8.360 nan 0.000 0.405 312 V N 4.547 124.009 119.914 -0.753 0.000 2.455 312 V HA 0.158 4.278 4.120 0.000 0.000 0.273 312 V C -0.580 175.093 176.094 -0.702 0.000 1.045 312 V CA 0.040 61.987 62.300 -0.588 0.000 0.976 312 V CB -0.387 31.247 31.823 -0.314 0.000 0.993 312 V HN 0.497 nan 8.190 nan 0.000 0.475 313 F N 2.813 122.565 119.950 -0.331 0.000 2.496 313 F HA 0.437 4.964 4.527 0.000 0.000 0.341 313 F C 0.219 175.761 175.800 -0.431 0.000 1.134 313 F CA -1.416 56.274 58.000 -0.517 0.000 0.968 313 F CB 1.573 39.855 39.000 -1.197 0.000 1.205 313 F HN 0.535 nan 8.300 nan 0.000 0.436 314 E N 3.822 124.048 120.200 0.043 0.000 2.366 314 E HA 0.231 4.581 4.350 0.000 0.000 0.266 314 E C -0.445 176.235 176.600 0.134 0.000 1.015 314 E CA 0.059 56.530 56.400 0.119 0.000 0.906 314 E CB 0.428 30.267 29.700 0.233 0.000 0.979 314 E HN 0.513 nan 8.360 nan 0.000 0.443 315 I N 6.832 127.464 120.570 0.102 0.000 2.556 315 I HA 0.142 4.312 4.170 0.000 0.000 0.284 315 I C -1.786 174.446 176.117 0.191 0.000 1.114 315 I CA -2.015 59.384 61.300 0.164 0.000 1.418 315 I CB 0.613 38.659 38.000 0.077 0.000 1.394 315 I HN 0.474 nan 8.210 nan 0.000 0.552 316 P HA 0.082 nan 4.420 nan 0.000 0.264 316 P C -1.992 175.370 177.300 0.103 0.000 1.236 316 P CA -0.852 62.336 63.100 0.147 0.000 0.811 316 P CB 0.218 31.984 31.700 0.110 0.000 0.840 317 P HA -0.228 nan 4.420 nan 0.000 0.217 317 P C 0.798 178.132 177.300 0.057 0.000 1.151 317 P CA 1.449 64.596 63.100 0.079 0.000 0.849 317 P CB -0.072 31.677 31.700 0.081 0.000 0.787 318 D N -1.244 119.185 120.400 0.047 0.000 2.351 318 D HA -0.079 4.561 4.640 0.000 0.000 0.216 318 D C 1.671 177.987 176.300 0.027 0.000 0.968 318 D CA 0.828 54.846 54.000 0.031 0.000 0.899 318 D CB -0.061 40.752 40.800 0.022 0.000 0.907 318 D HN 0.298 nan 8.370 nan 0.000 0.514 319 L N 0.267 121.512 121.223 0.036 0.000 2.463 319 L HA 0.049 4.389 4.340 0.000 0.000 0.219 319 L C 0.619 177.504 176.870 0.025 0.000 1.088 319 L CA 0.155 55.014 54.840 0.032 0.000 0.849 319 L CB 0.679 42.767 42.059 0.048 0.000 1.012 319 L HN -0.225 nan 8.230 nan 0.000 0.468 320 V N 2.433 122.364 119.914 0.028 0.000 2.338 320 V HA 0.091 4.211 4.120 0.000 0.000 0.255 320 V C 0.094 176.205 176.094 0.029 0.000 1.082 320 V CA -0.364 61.948 62.300 0.020 0.000 0.951 320 V CB 0.779 32.615 31.823 0.022 0.000 1.102 320 V HN 0.058 nan 8.190 nan 0.000 0.489 321 L N 5.750 126.986 121.223 0.023 0.000 2.349 321 L HA 0.514 4.854 4.340 0.000 0.000 0.275 321 L C 0.106 176.988 176.870 0.019 0.000 1.115 321 L CA 0.701 55.545 54.840 0.007 0.000 0.820 321 L CB 0.735 42.788 42.059 -0.011 0.000 1.135 321 L HN 0.667 nan 8.230 nan 0.000 0.445 322 E N 3.029 123.221 120.200 -0.013 0.000 2.369 322 E HA 0.598 4.948 4.350 0.000 0.000 0.270 322 E C -1.565 174.961 176.600 -0.124 0.000 0.909 322 E CA -1.044 55.345 56.400 -0.018 0.000 0.775 322 E CB 2.471 32.191 29.700 0.034 0.000 1.270 322 E HN 0.371 nan 8.360 nan 0.000 0.445 323 V N 1.659 121.472 119.914 -0.168 0.000 2.444 323 V HA 0.264 4.384 4.120 0.000 0.000 0.294 323 V C -0.302 175.729 176.094 -0.104 0.000 1.022 323 V CA -0.803 61.344 62.300 -0.256 0.000 0.850 323 V CB 1.564 32.998 31.823 -0.649 0.000 0.992 323 V HN 0.802 nan 8.190 nan 0.000 0.426 324 T N 4.035 118.536 114.554 -0.089 0.000 2.794 324 T HA 0.482 4.832 4.350 0.000 0.000 0.296 324 T C -0.028 174.683 174.700 0.018 0.000 0.949 324 T CA -0.762 61.306 62.100 -0.053 0.000 1.101 324 T CB 0.674 69.510 68.868 -0.054 0.000 0.905 324 T HN 0.310 nan 8.240 nan 0.000 0.516 325 M N 4.160 123.802 119.600 0.071 0.000 2.217 325 M HA 0.278 4.758 4.480 0.000 0.000 0.352 325 M C 0.469 176.946 176.300 0.294 0.000 1.376 325 M CA 0.061 55.494 55.300 0.221 0.000 1.107 325 M CB -0.444 32.339 32.600 0.305 0.000 1.723 325 M HN 0.941 nan 8.290 nan 0.000 0.461 326 E N 1.911 122.313 120.200 0.336 0.000 2.321 326 E HA 0.299 4.649 4.350 0.000 0.000 0.281 326 E C -1.281 175.438 176.600 0.198 0.000 0.910 326 E CA -0.818 55.795 56.400 0.355 0.000 0.770 326 E CB 1.464 31.286 29.700 0.203 0.000 1.225 326 E HN 0.597 nan 8.360 nan 0.000 0.417 327 H N 4.158 123.174 119.070 -0.090 0.000 2.582 327 H HA 0.165 4.721 4.556 0.000 0.000 0.345 327 H C -1.571 173.592 175.328 -0.276 0.000 1.104 327 H CA -1.824 53.992 56.048 -0.387 0.000 1.390 327 H CB 1.686 31.052 29.762 -0.660 0.000 1.461 327 H HN 0.482 nan 8.280 nan 0.000 0.551 328 P HA -0.031 nan 4.420 nan 0.000 0.242 328 P C 0.359 177.635 177.300 -0.039 0.000 1.197 328 P CA 0.840 63.648 63.100 -0.487 0.000 0.765 328 P CB 0.748 31.921 31.700 -0.878 0.000 0.936 329 K N -1.983 118.556 120.400 0.232 0.000 2.603 329 K HA 0.125 4.445 4.320 0.000 0.000 0.205 329 K C 0.110 176.738 176.600 0.047 0.000 1.500 329 K CA 0.333 56.701 56.287 0.135 0.000 1.059 329 K CB 0.194 32.807 32.500 0.188 0.000 1.416 329 K HN 0.070 nan 8.250 nan 0.000 0.562 330 Y N 3.416 123.427 120.300 -0.481 0.000 2.714 330 Y HA 0.195 4.745 4.550 0.000 0.000 0.333 330 Y C 1.159 176.705 175.900 -0.591 0.000 1.220 330 Y CA -0.828 56.851 58.100 -0.702 0.000 1.513 330 Y CB 0.246 37.930 38.460 -1.293 0.000 1.435 330 Y HN -0.069 nan 8.280 nan 0.000 0.489 331 E N 1.389 121.512 120.200 -0.127 0.000 2.333 331 E HA -0.225 4.125 4.350 0.000 0.000 0.200 331 E C 1.743 178.369 176.600 0.044 0.000 1.010 331 E CA 0.952 57.347 56.400 -0.008 0.000 0.841 331 E CB -0.251 29.482 29.700 0.054 0.000 0.757 331 E HN 0.860 nan 8.360 nan 0.000 0.508 332 W N -0.951 120.441 121.300 0.153 0.000 2.678 332 W HA 0.023 4.683 4.660 0.000 0.000 0.256 332 W C 1.552 178.163 176.519 0.153 0.000 1.280 332 W CA -0.276 57.141 57.345 0.121 0.000 1.345 332 W CB -1.120 28.393 29.460 0.088 0.000 1.118 332 W HN -0.079 nan 8.180 nan 0.000 0.629 333 F N 2.768 122.436 119.950 -0.470 0.000 2.126 333 F HA -0.243 4.284 4.527 0.000 0.000 0.299 333 F C 2.976 178.739 175.800 -0.062 0.000 1.096 333 F CA 2.808 60.588 58.000 -0.366 0.000 1.255 333 F CB -0.715 37.998 39.000 -0.479 0.000 0.997 333 F HN -0.081 nan 8.300 nan 0.000 0.479 334 Q N 0.363 120.205 119.800 0.070 0.000 2.135 334 Q HA -0.262 4.078 4.340 0.000 0.000 0.204 334 Q C 1.881 177.874 176.000 -0.012 0.000 0.981 334 Q CA 2.016 57.840 55.803 0.034 0.000 0.856 334 Q CB -0.301 28.482 28.738 0.074 0.000 0.902 334 Q HN 0.558 nan 8.270 nan 0.000 0.425 335 E N -0.135 120.092 120.200 0.045 0.000 2.396 335 E HA -0.179 4.171 4.350 0.000 0.000 0.200 335 E C 1.568 178.173 176.600 0.009 0.000 1.023 335 E CA 0.403 56.839 56.400 0.059 0.000 0.857 335 E CB 0.079 29.861 29.700 0.137 0.000 0.775 335 E HN 0.299 nan 8.360 nan 0.000 0.525 336 L N -0.439 120.731 121.223 -0.088 0.000 2.291 336 L HA 0.036 4.376 4.340 0.000 0.000 0.214 336 L C 1.494 178.305 176.870 -0.098 0.000 1.120 336 L CA 1.249 56.004 54.840 -0.142 0.000 0.799 336 L CB -0.516 41.312 42.059 -0.385 0.000 0.925 336 L HN 0.211 nan 8.230 nan 0.000 0.446 337 G N -0.031 108.714 108.800 -0.091 0.000 2.272 337 G HA2 -0.265 3.695 3.960 0.000 0.000 0.280 337 G HA3 -0.265 3.695 3.960 0.000 0.000 0.280 337 G C 0.128 174.996 174.900 -0.052 0.000 1.067 337 G CA 0.123 45.202 45.100 -0.035 0.000 0.902 337 G HN 0.249 nan 8.290 nan 0.000 0.500 338 L N -0.613 120.503 121.223 -0.179 0.000 2.360 338 L HA 0.832 5.172 4.340 0.000 0.000 0.271 338 L C 0.638 177.329 176.870 -0.298 0.000 1.057 338 L CA -0.531 54.156 54.840 -0.255 0.000 0.803 338 L CB 1.757 43.574 42.059 -0.404 0.000 1.207 338 L HN 0.568 nan 8.230 nan 0.000 0.445 339 K N 0.900 121.018 120.400 -0.470 0.000 2.658 339 K HA 0.461 4.781 4.320 0.000 0.000 0.293 339 K C -2.130 174.460 176.600 -0.016 0.000 1.026 339 K CA -1.076 55.046 56.287 -0.276 0.000 0.871 339 K CB 2.012 34.252 32.500 -0.432 0.000 1.524 339 K HN 0.598 nan 8.250 nan 0.000 0.400 340 W N 2.004 123.269 121.300 -0.060 0.000 3.248 340 W HA 0.332 4.992 4.660 0.000 0.000 0.311 340 W C -1.377 175.205 176.519 0.105 0.000 1.258 340 W CA -0.825 56.570 57.345 0.083 0.000 1.191 340 W CB 1.499 30.886 29.460 -0.122 0.000 1.389 340 W HN 0.686 nan 8.180 nan 0.000 0.561 341 Y N 1.372 121.529 120.300 -0.239 0.000 2.425 341 Y HA 0.476 5.026 4.550 0.000 0.000 0.331 341 Y C 0.831 176.879 175.900 0.247 0.000 1.157 341 Y CA 0.223 58.265 58.100 -0.097 0.000 1.372 341 Y CB 0.256 38.524 38.460 -0.319 0.000 1.253 341 Y HN 0.355 nan 8.280 nan 0.000 0.536 342 A N 3.280 126.295 122.820 0.325 0.000 2.119 342 A HA 0.071 4.391 4.320 0.000 0.000 0.216 342 A C 0.398 178.295 177.584 0.521 0.000 1.152 342 A CA 0.263 52.544 52.037 0.406 0.000 0.708 342 A CB -0.260 18.811 19.000 0.118 0.000 0.805 342 A HN 0.658 nan 8.150 nan 0.000 0.460 343 L N 1.479 122.965 121.223 0.438 0.000 2.276 343 L HA 0.425 4.765 4.340 0.000 0.000 0.286 343 L C -2.521 174.465 176.870 0.193 0.000 1.024 343 L CA -2.165 52.819 54.840 0.239 0.000 0.826 343 L CB 1.729 43.833 42.059 0.075 0.000 1.211 343 L HN -0.064 nan 8.230 nan 0.000 0.422 344 P HA 0.307 nan 4.420 nan 0.000 0.227 344 P C -1.256 175.870 177.300 -0.291 0.000 1.815 344 P CA -0.297 62.566 63.100 -0.395 0.000 1.134 344 P CB 0.896 31.971 31.700 -1.042 0.000 1.795 345 A N 3.847 126.532 122.820 -0.225 0.000 2.277 345 A HA 0.421 4.741 4.320 0.000 0.000 0.318 345 A C 0.156 177.496 177.584 -0.407 0.000 1.339 345 A CA -0.656 51.197 52.037 -0.307 0.000 0.875 345 A CB 0.654 19.522 19.000 -0.219 0.000 1.158 345 A HN 0.242 nan 8.150 nan 0.000 0.514 346 V N 2.681 122.176 119.914 -0.699 0.000 2.529 346 V HA 0.229 4.349 4.120 0.000 0.000 0.292 346 V C 1.329 177.009 176.094 -0.690 0.000 1.028 346 V CA 1.002 62.837 62.300 -0.774 0.000 1.074 346 V CB 0.418 31.540 31.823 -1.169 0.000 0.958 346 V HN 1.039 nan 8.190 nan 0.000 0.481 347 A N 4.727 127.320 122.820 -0.378 0.000 1.919 347 A HA 0.028 4.348 4.320 0.000 0.000 0.211 347 A C 1.636 179.146 177.584 -0.124 0.000 1.310 347 A CA 0.637 52.547 52.037 -0.212 0.000 0.651 347 A CB -0.418 18.501 19.000 -0.135 0.000 0.996 347 A HN 0.905 nan 8.150 nan 0.000 0.479 348 N N -0.344 118.292 118.700 -0.107 0.000 2.601 348 N HA 0.034 4.774 4.740 0.000 0.000 0.201 348 N C 0.196 175.698 175.510 -0.014 0.000 1.355 348 N CA 0.008 53.035 53.050 -0.038 0.000 0.880 348 N CB -0.216 38.245 38.487 -0.044 0.000 1.071 348 N HN 0.439 nan 8.380 nan 0.000 0.454 349 M N 0.976 120.578 119.600 0.002 0.000 2.471 349 M HA 0.357 4.837 4.480 0.000 0.000 0.309 349 M C -0.542 175.892 176.300 0.223 0.000 1.186 349 M CA -0.872 54.487 55.300 0.099 0.000 1.008 349 M CB 2.307 34.978 32.600 0.118 0.000 1.551 349 M HN 0.100 nan 8.290 nan 0.000 0.477 350 L N 2.431 123.820 121.223 0.278 0.000 2.322 350 L HA 0.537 4.877 4.340 0.000 0.000 0.281 350 L C -1.477 175.612 176.870 0.365 0.000 1.014 350 L CA -0.976 54.048 54.840 0.308 0.000 0.815 350 L CB 1.406 43.614 42.059 0.249 0.000 1.247 350 L HN 0.560 nan 8.230 nan 0.000 0.421 351 L N 5.169 126.600 121.223 0.347 0.000 2.264 351 L HA 0.463 4.803 4.340 0.000 0.000 0.289 351 L C -0.394 176.638 176.870 0.271 0.000 1.044 351 L CA 0.318 55.287 54.840 0.214 0.000 0.807 351 L CB 1.097 43.244 42.059 0.147 0.000 1.192 351 L HN 0.634 nan 8.230 nan 0.000 0.425 352 E N 4.747 125.062 120.200 0.192 0.000 2.179 352 E HA 0.573 4.923 4.350 0.000 0.000 0.275 352 E C -1.903 174.724 176.600 0.045 0.000 0.945 352 E CA -0.459 56.031 56.400 0.151 0.000 0.792 352 E CB 2.035 31.867 29.700 0.219 0.000 1.125 352 E HN 0.531 nan 8.360 nan 0.000 0.397 353 V N 2.689 122.597 119.914 -0.009 0.000 2.924 353 V HA 0.451 4.571 4.120 0.000 0.000 0.300 353 V C 0.287 176.302 176.094 -0.131 0.000 1.227 353 V CA 0.404 62.596 62.300 -0.180 0.000 0.954 353 V CB 1.578 33.215 31.823 -0.310 0.000 1.055 353 V HN 0.895 nan 8.190 nan 0.000 0.429 354 G N 3.974 112.704 108.800 -0.116 0.000 2.449 354 G HA2 0.061 4.022 3.960 0.000 0.000 0.304 354 G HA3 0.061 4.022 3.960 0.000 0.000 0.304 354 G C 1.678 176.761 174.900 0.304 0.000 0.962 354 G CA 1.814 47.058 45.100 0.240 0.000 0.943 354 G HN 2.725 nan 8.290 nan 0.000 0.514 355 G N -1.895 107.003 108.800 0.163 0.000 2.383 355 G HA2 -0.241 3.719 3.960 0.000 0.000 0.229 355 G HA3 -0.241 3.719 3.960 0.000 0.000 0.229 355 G C 0.510 175.469 174.900 0.098 0.000 1.089 355 G CA 0.491 45.727 45.100 0.227 0.000 0.640 355 G HN 1.222 nan 8.290 nan 0.000 0.510 356 L N 2.236 123.477 121.223 0.031 0.000 2.421 356 L HA 0.637 4.977 4.340 0.000 0.000 0.263 356 L C 0.360 177.080 176.870 -0.250 0.000 1.122 356 L CA -0.035 54.710 54.840 -0.158 0.000 0.804 356 L CB 1.106 42.973 42.059 -0.320 0.000 1.150 356 L HN 0.666 nan 8.230 nan 0.000 0.457 357 E N 2.189 122.174 120.200 -0.358 0.000 2.272 357 E HA 0.391 4.741 4.350 0.000 0.000 0.269 357 E C -1.797 174.560 176.600 -0.404 0.000 0.877 357 E CA -0.631 55.612 56.400 -0.262 0.000 0.755 357 E CB 1.554 31.198 29.700 -0.093 0.000 1.192 357 E HN 0.264 nan 8.360 nan 0.000 0.422 358 F N 2.608 122.589 119.950 0.051 0.000 2.325 358 F HA 0.295 4.822 4.527 0.000 0.000 0.369 358 F C -1.598 174.282 175.800 0.132 0.000 1.095 358 F CA -2.489 55.563 58.000 0.087 0.000 1.082 358 F CB 1.673 40.714 39.000 0.069 0.000 1.289 358 F HN 0.360 nan 8.300 nan 0.000 0.462 359 P HA -0.021 nan 4.420 nan 0.000 0.230 359 P C 0.019 177.462 177.300 0.237 0.000 1.158 359 P CA 0.630 63.863 63.100 0.222 0.000 0.769 359 P CB 0.502 32.308 31.700 0.178 0.000 0.807 360 A N 0.313 123.311 122.820 0.296 0.000 2.332 360 A HA 0.550 4.870 4.320 0.000 0.000 0.300 360 A C 0.008 177.821 177.584 0.381 0.000 1.153 360 A CA -0.404 51.791 52.037 0.263 0.000 0.764 360 A CB 0.416 19.513 19.000 0.162 0.000 1.174 360 A HN 0.312 nan 8.150 nan 0.000 0.467 361 C N 0.890 120.383 119.300 0.321 0.000 2.777 361 C HA 0.399 4.860 4.460 0.000 0.000 0.229 361 C C -3.054 172.082 174.990 0.243 0.000 1.210 361 C CA -1.400 57.795 59.018 0.295 0.000 0.959 361 C CB -0.492 27.394 27.740 0.243 0.000 1.835 361 C HN 0.570 nan 8.230 nan 0.000 0.690 362 P HA 0.315 nan 4.420 nan 0.000 0.265 362 P C -0.459 176.860 177.300 0.031 0.000 1.187 362 P CA 1.069 64.162 63.100 -0.010 0.000 0.766 362 P CB 0.411 32.156 31.700 0.075 0.000 0.820 363 F N 0.040 119.935 119.950 -0.092 0.000 2.692 363 F HA 0.722 5.249 4.527 0.000 0.000 0.320 363 F C -0.654 175.028 175.800 -0.197 0.000 1.123 363 F CA -1.103 56.801 58.000 -0.160 0.000 0.961 363 F CB 1.662 40.409 39.000 -0.421 0.000 1.383 363 F HN 0.393 nan 8.300 nan 0.000 0.483 364 N N -0.532 118.146 118.700 -0.036 0.000 2.859 364 N HA 0.615 5.356 4.740 0.000 0.000 0.250 364 N C -1.405 173.944 175.510 -0.268 0.000 1.341 364 N CA -0.352 52.581 53.050 -0.195 0.000 0.881 364 N CB 1.698 40.065 38.487 -0.200 0.000 1.516 364 N HN 1.119 nan 8.380 nan 0.000 0.503 365 G N -0.709 107.901 108.800 -0.315 0.000 3.291 365 G HA2 0.703 4.663 3.960 0.000 0.000 0.173 365 G HA3 0.703 4.663 3.960 0.000 0.000 0.173 365 G C -1.688 173.114 174.900 -0.164 0.000 1.099 365 G CA -0.634 44.219 45.100 -0.413 0.000 0.794 365 G HN 0.701 nan 8.290 nan 0.000 0.651 366 W N -1.673 119.578 121.300 -0.082 0.000 2.929 366 W HA 0.826 5.486 4.660 0.000 0.000 0.345 366 W C -1.324 175.150 176.519 -0.074 0.000 1.151 366 W CA -2.074 55.243 57.345 -0.046 0.000 1.111 366 W CB 0.344 29.829 29.460 0.042 0.000 1.449 366 W HN 0.414 nan 8.180 nan 0.000 0.572 367 Y N 1.877 122.354 120.300 0.296 0.000 2.330 367 Y HA 0.329 4.879 4.550 0.000 0.000 0.341 367 Y C 0.639 176.578 175.900 0.064 0.000 1.278 367 Y CA -0.568 57.573 58.100 0.068 0.000 1.453 367 Y CB 1.040 39.440 38.460 -0.100 0.000 1.342 367 Y HN 0.381 nan 8.280 nan 0.000 0.590 368 M N 1.607 121.312 119.600 0.175 0.000 2.142 368 M HA 0.331 4.811 4.480 0.000 0.000 0.299 368 M C 0.961 177.193 176.300 -0.113 0.000 0.960 368 M CA -0.265 55.061 55.300 0.044 0.000 0.920 368 M CB 1.303 33.916 32.600 0.022 0.000 1.541 368 M HN 0.858 nan 8.290 nan 0.000 0.429 369 G N 2.137 110.825 108.800 -0.187 0.000 2.816 369 G HA2 -0.414 3.546 3.960 0.000 0.000 0.229 369 G HA3 -0.414 3.546 3.960 0.000 0.000 0.229 369 G C 1.127 175.812 174.900 -0.359 0.000 1.158 369 G CA 2.357 47.273 45.100 -0.307 0.000 0.761 369 G HN 0.873 nan 8.290 nan 0.000 0.636 370 T N -0.958 113.382 114.554 -0.357 0.000 2.778 370 T HA -0.117 4.233 4.350 0.000 0.000 0.269 370 T C 1.938 176.411 174.700 -0.378 0.000 1.050 370 T CA 1.869 63.713 62.100 -0.427 0.000 1.137 370 T CB -0.378 68.169 68.868 -0.536 0.000 0.860 370 T HN 0.598 nan 8.240 nan 0.000 0.468 371 E N 0.939 120.941 120.200 -0.330 0.000 2.038 371 E HA -0.071 4.279 4.350 0.000 0.000 0.195 371 E C 2.212 178.498 176.600 -0.523 0.000 1.000 371 E CA 1.651 57.867 56.400 -0.306 0.000 0.803 371 E CB -0.311 29.339 29.700 -0.084 0.000 0.750 371 E HN 0.601 nan 8.360 nan 0.000 0.448 372 I N 0.338 120.440 120.570 -0.778 0.000 2.206 372 I HA -0.092 4.078 4.170 0.000 0.000 0.239 372 I C 2.643 178.093 176.117 -1.112 0.000 1.078 372 I CA 1.006 61.518 61.300 -1.314 0.000 1.367 372 I CB -0.730 36.377 38.000 -1.488 0.000 1.078 372 I HN 0.135 nan 8.210 nan 0.000 0.413 373 G N 0.917 109.329 108.800 -0.647 0.000 2.446 373 G HA2 -0.166 3.794 3.960 0.000 0.000 0.217 373 G HA3 -0.166 3.794 3.960 0.000 0.000 0.217 373 G C 1.651 176.449 174.900 -0.171 0.000 1.168 373 G CA 1.250 46.190 45.100 -0.266 0.000 0.771 373 G HN 0.232 nan 8.290 nan 0.000 0.551 374 V N 0.525 120.283 119.914 -0.260 0.000 2.341 374 V HA 0.019 4.139 4.120 0.000 0.000 0.240 374 V C 2.874 178.862 176.094 -0.177 0.000 1.035 374 V CA 1.262 63.445 62.300 -0.195 0.000 1.033 374 V CB -0.393 31.283 31.823 -0.245 0.000 0.678 374 V HN 0.153 nan 8.190 nan 0.000 0.464 375 R N 0.850 121.201 120.500 -0.248 0.000 2.065 375 R HA -0.070 4.270 4.340 0.000 0.000 0.224 375 R C 2.011 178.209 176.300 -0.171 0.000 1.161 375 R CA 1.685 57.662 56.100 -0.204 0.000 0.923 375 R CB -1.349 28.811 30.300 -0.232 0.000 0.822 375 R HN 0.466 nan 8.270 nan 0.000 0.437 376 D N 0.597 120.791 120.400 -0.342 0.000 2.116 376 D HA -0.164 4.476 4.640 0.000 0.000 0.193 376 D C 1.950 178.223 176.300 -0.045 0.000 0.998 376 D CA 1.287 55.068 54.000 -0.366 0.000 0.836 376 D CB -0.294 39.767 40.800 -1.233 0.000 0.951 376 D HN 0.103 nan 8.370 nan 0.000 0.449 377 F N 0.282 120.116 119.950 -0.192 0.000 2.219 377 F HA 0.019 4.546 4.527 0.000 0.000 0.294 377 F C 2.462 178.289 175.800 0.044 0.000 1.086 377 F CA -0.155 57.820 58.000 -0.043 0.000 1.330 377 F CB -0.775 38.168 39.000 -0.096 0.000 1.047 377 F HN 0.039 nan 8.300 nan 0.000 0.495 378 C N -1.060 118.351 119.300 0.184 0.000 2.780 378 C HA 0.151 4.611 4.460 0.000 0.000 0.267 378 C C 0.412 175.447 174.990 0.074 0.000 1.266 378 C CA -0.743 58.343 59.018 0.112 0.000 1.709 378 C CB -0.925 26.845 27.740 0.051 0.000 1.975 378 C HN 0.105 nan 8.230 nan 0.000 0.582 379 D N 1.737 122.176 120.400 0.065 0.000 2.455 379 D HA 0.086 4.726 4.640 0.000 0.000 0.241 379 D C 1.581 177.929 176.300 0.080 0.000 1.138 379 D CA 0.493 54.524 54.000 0.053 0.000 0.877 379 D CB 0.975 41.804 40.800 0.047 0.000 1.187 379 D HN 0.408 nan 8.370 nan 0.000 0.451 380 T N -0.127 114.467 114.554 0.066 0.000 2.833 380 T HA -0.251 4.100 4.350 0.000 0.000 0.269 380 T C 1.453 176.196 174.700 0.071 0.000 1.054 380 T CA 0.899 63.041 62.100 0.069 0.000 1.135 380 T CB -0.084 68.819 68.868 0.058 0.000 0.869 380 T HN 0.497 nan 8.240 nan 0.000 0.466 381 Q N 0.587 120.435 119.800 0.078 0.000 2.378 381 Q HA 0.090 4.430 4.340 0.000 0.000 0.205 381 Q C 1.341 177.387 176.000 0.076 0.000 0.954 381 Q CA 0.384 56.237 55.803 0.084 0.000 0.901 381 Q CB 0.005 28.813 28.738 0.117 0.000 0.981 381 Q HN 0.421 nan 8.270 nan 0.000 0.483 382 R N -0.130 120.424 120.500 0.090 0.000 2.449 382 R HA 0.232 4.572 4.340 0.000 0.000 0.130 382 R C 1.762 178.106 176.300 0.074 0.000 1.404 382 R CA -0.362 55.801 56.100 0.106 0.000 1.271 382 R CB -1.140 29.279 30.300 0.198 0.000 1.431 382 R HN 0.080 nan 8.270 nan 0.000 0.477 383 Y N 1.536 121.943 120.300 0.177 0.000 2.497 383 Y HA -0.123 4.427 4.550 0.000 0.000 0.292 383 Y C 0.660 176.637 175.900 0.128 0.000 1.137 383 Y CA 0.990 59.199 58.100 0.181 0.000 1.285 383 Y CB -0.423 38.223 38.460 0.309 0.000 0.991 383 Y HN 0.487 nan 8.280 nan 0.000 0.556 384 N N 0.698 119.538 118.700 0.235 0.000 2.678 384 N HA -0.235 4.505 4.740 0.000 0.000 0.268 384 N C 0.493 176.099 175.510 0.159 0.000 1.010 384 N CA 0.836 53.983 53.050 0.162 0.000 0.784 384 N CB -1.184 37.370 38.487 0.111 0.000 0.905 384 N HN 0.662 nan 8.380 nan 0.000 0.552 385 I N -3.269 117.404 120.570 0.171 0.000 3.035 385 I HA -0.010 4.160 4.170 0.000 0.000 0.271 385 I C 2.011 178.223 176.117 0.157 0.000 1.190 385 I CA -0.286 61.093 61.300 0.131 0.000 1.472 385 I CB -0.243 37.791 38.000 0.057 0.000 1.116 385 I HN 0.201 nan 8.210 nan 0.000 0.443 386 L N 1.927 123.253 121.223 0.173 0.000 2.143 386 L HA -0.365 3.975 4.340 0.000 0.000 0.231 386 L C 2.634 179.732 176.870 0.381 0.000 1.106 386 L CA 2.987 57.959 54.840 0.221 0.000 0.827 386 L CB -0.802 41.330 42.059 0.122 0.000 0.915 386 L HN 0.614 nan 8.230 nan 0.000 0.448 387 E N -0.355 120.052 120.200 0.346 0.000 2.051 387 E HA -0.305 4.045 4.350 0.000 0.000 0.192 387 E C 1.939 178.611 176.600 0.119 0.000 0.991 387 E CA 1.658 58.233 56.400 0.291 0.000 0.799 387 E CB -0.071 29.724 29.700 0.159 0.000 0.748 387 E HN 0.506 nan 8.360 nan 0.000 0.449 388 E N -0.062 120.204 120.200 0.111 0.000 2.153 388 E HA -0.146 4.204 4.350 0.000 0.000 0.194 388 E C 1.868 178.535 176.600 0.112 0.000 0.988 388 E CA 1.381 57.821 56.400 0.067 0.000 0.811 388 E CB 0.066 29.806 29.700 0.066 0.000 0.746 388 E HN 0.218 nan 8.360 nan 0.000 0.466 389 V N -0.234 119.808 119.914 0.214 0.000 2.591 389 V HA 0.005 4.125 4.120 0.000 0.000 0.249 389 V C 2.254 178.543 176.094 0.324 0.000 1.053 389 V CA 1.532 64.037 62.300 0.343 0.000 1.068 389 V CB -0.550 31.497 31.823 0.373 0.000 0.689 389 V HN 0.461 nan 8.190 nan 0.000 0.462 390 G N -0.233 108.749 108.800 0.303 0.000 2.464 390 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 390 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 390 G C 1.703 176.599 174.900 -0.007 0.000 1.138 390 G CA 0.551 45.816 45.100 0.275 0.000 0.793 390 G HN 0.396 nan 8.290 nan 0.000 0.539 391 R N 0.227 120.673 120.500 -0.090 0.000 2.062 391 R HA 0.126 4.466 4.340 0.000 0.000 0.231 391 R C 2.544 178.729 176.300 -0.191 0.000 1.136 391 R CA 0.895 56.897 56.100 -0.164 0.000 0.948 391 R CB -0.211 30.003 30.300 -0.143 0.000 0.845 391 R HN 0.167 nan 8.270 nan 0.000 0.430 392 R N -0.603 119.738 120.500 -0.264 0.000 2.316 392 R HA 0.031 4.371 4.340 0.000 0.000 0.202 392 R C 1.742 177.664 176.300 -0.631 0.000 1.029 392 R CA 0.741 56.473 56.100 -0.615 0.000 1.018 392 R CB 0.024 29.692 30.300 -1.052 0.000 0.888 392 R HN 0.297 nan 8.270 nan 0.000 0.471 393 M N -1.007 118.498 119.600 -0.158 0.000 2.541 393 M HA 0.083 4.563 4.480 0.000 0.000 0.252 393 M C 0.766 177.087 176.300 0.034 0.000 1.125 393 M CA 0.654 56.033 55.300 0.132 0.000 1.091 393 M CB 0.800 33.608 32.600 0.347 0.000 1.420 393 M HN 0.409 nan 8.290 nan 0.000 0.486 394 G N 1.175 109.936 108.800 -0.065 0.000 2.159 394 G HA2 -0.231 3.729 3.960 0.000 0.000 0.256 394 G HA3 -0.231 3.729 3.960 0.000 0.000 0.256 394 G C 0.044 174.925 174.900 -0.031 0.000 0.977 394 G CA -0.098 44.964 45.100 -0.063 0.000 0.652 394 G HN 0.405 nan 8.290 nan 0.000 0.531 395 L N -0.202 121.013 121.223 -0.014 0.000 2.456 395 L HA 0.470 4.810 4.340 0.000 0.000 0.257 395 L C 0.837 177.634 176.870 -0.121 0.000 1.162 395 L CA -0.692 54.150 54.840 0.002 0.000 0.808 395 L CB 0.406 42.545 42.059 0.133 0.000 1.136 395 L HN 0.116 nan 8.230 nan 0.000 0.466 396 E N 0.156 120.303 120.200 -0.090 0.000 1.775 396 E HA 0.022 4.372 4.350 0.000 0.000 0.266 396 E C 0.535 176.861 176.600 -0.457 0.000 1.191 396 E CA -0.126 56.190 56.400 -0.140 0.000 1.048 396 E CB 0.179 29.876 29.700 -0.004 0.000 1.081 396 E HN 0.509 nan 8.360 nan 0.000 0.434 397 T N 1.035 115.145 114.554 -0.740 0.000 2.946 397 T HA -0.153 4.197 4.350 0.000 0.000 0.271 397 T C 0.865 175.038 174.700 -0.878 0.000 1.104 397 T CA 0.995 62.246 62.100 -1.416 0.000 1.114 397 T CB -0.124 68.085 68.868 -1.098 0.000 0.867 397 T HN 0.529 nan 8.240 nan 0.000 0.513 398 H N 0.056 118.953 119.070 -0.287 0.000 2.549 398 H HA 0.222 4.778 4.556 0.000 0.000 0.279 398 H C 0.042 175.388 175.328 0.029 0.000 1.018 398 H CA 0.246 56.248 56.048 -0.078 0.000 1.175 398 H CB 0.555 30.274 29.762 -0.073 0.000 1.485 398 H HN 0.175 nan 8.280 nan 0.000 0.543 399 T N 2.621 117.263 114.554 0.148 0.000 2.892 399 T HA 0.104 4.454 4.350 0.000 0.000 0.311 399 T C 1.148 176.031 174.700 0.305 0.000 1.033 399 T CA -0.496 61.717 62.100 0.187 0.000 0.991 399 T CB 1.695 70.644 68.868 0.136 0.000 0.981 399 T HN -0.038 nan 8.240 nan 0.000 0.457 400 L N 2.481 123.857 121.223 0.256 0.000 2.013 400 L HA -0.095 4.245 4.340 0.000 0.000 0.212 400 L C 2.755 179.710 176.870 0.142 0.000 1.073 400 L CA 2.083 57.047 54.840 0.207 0.000 0.753 400 L CB -1.561 40.564 42.059 0.110 0.000 0.890 400 L HN 0.795 nan 8.230 nan 0.000 0.432 401 A N -0.426 122.465 122.820 0.119 0.000 2.139 401 A HA -0.212 4.108 4.320 0.000 0.000 0.221 401 A C 2.394 180.039 177.584 0.103 0.000 1.159 401 A CA 1.751 53.840 52.037 0.087 0.000 0.662 401 A CB -0.666 18.378 19.000 0.073 0.000 0.796 401 A HN 0.620 nan 8.150 nan 0.000 0.463 402 S N -0.621 115.179 115.700 0.167 0.000 2.515 402 S HA 0.074 4.544 4.470 0.000 0.000 0.231 402 S C 0.915 175.615 174.600 0.167 0.000 0.987 402 S CA 0.724 59.031 58.200 0.178 0.000 0.936 402 S CB -0.746 62.594 63.200 0.235 0.000 0.766 402 S HN 0.926 nan 8.310 nan 0.000 0.528 403 L N 0.158 121.449 121.223 0.113 0.000 4.040 403 L HA -0.175 4.165 4.340 0.000 0.000 0.410 403 L C 1.640 178.529 176.870 0.031 0.000 1.187 403 L CA 0.807 55.654 54.840 0.011 0.000 0.956 403 L CB -2.769 39.302 42.059 0.020 0.000 2.022 403 L HN 0.753 nan 8.230 nan 0.000 0.897 404 W N 0.401 121.719 121.300 0.030 0.000 2.374 404 W HA -0.142 4.518 4.660 0.000 0.000 0.288 404 W C 1.717 178.259 176.519 0.039 0.000 1.218 404 W CA 1.304 58.671 57.345 0.037 0.000 1.245 404 W CB -0.743 28.737 29.460 0.033 0.000 1.126 404 W HN 0.283 nan 8.180 nan 0.000 0.545 405 K N 0.916 120.857 120.400 -0.765 0.000 2.057 405 K HA -0.164 4.156 4.320 0.000 0.000 0.207 405 K C 1.504 177.944 176.600 -0.267 0.000 1.049 405 K CA 2.222 58.071 56.287 -0.731 0.000 0.931 405 K CB -0.374 31.579 32.500 -0.911 0.000 0.714 405 K HN -0.013 nan 8.250 nan 0.000 0.440 406 D N 0.272 120.559 120.400 -0.188 0.000 2.144 406 D HA -0.120 4.520 4.640 0.000 0.000 0.199 406 D C 1.937 178.224 176.300 -0.022 0.000 0.984 406 D CA 1.030 54.977 54.000 -0.087 0.000 0.834 406 D CB 0.016 40.781 40.800 -0.059 0.000 0.955 406 D HN 0.026 nan 8.370 nan 0.000 0.465 407 R N 0.470 120.984 120.500 0.023 0.000 2.057 407 R HA 0.071 4.411 4.340 0.000 0.000 0.229 407 R C 2.058 178.416 176.300 0.097 0.000 1.136 407 R CA 1.376 57.526 56.100 0.083 0.000 0.952 407 R CB -0.499 29.888 30.300 0.146 0.000 0.848 407 R HN 0.135 nan 8.270 nan 0.000 0.430 408 A N -0.096 122.806 122.820 0.136 0.000 1.841 408 A HA -0.182 4.138 4.320 0.000 0.000 0.216 408 A C 2.251 179.886 177.584 0.085 0.000 1.199 408 A CA 1.881 54.019 52.037 0.169 0.000 0.621 408 A CB -1.343 17.815 19.000 0.263 0.000 0.835 408 A HN 0.251 nan 8.150 nan 0.000 0.445 409 V N 0.009 119.941 119.914 0.030 0.000 2.317 409 V HA -0.286 3.834 4.120 0.000 0.000 0.251 409 V C 2.545 178.625 176.094 -0.023 0.000 1.065 409 V CA 3.163 65.461 62.300 -0.004 0.000 1.049 409 V CB -1.004 30.786 31.823 -0.056 0.000 0.651 409 V HN 0.679 nan 8.190 nan 0.000 0.450 410 T N -0.239 114.305 114.554 -0.017 0.000 2.788 410 T HA -0.138 4.212 4.350 0.000 0.000 0.268 410 T C 1.762 176.428 174.700 -0.055 0.000 1.044 410 T CA 1.578 63.666 62.100 -0.020 0.000 1.139 410 T CB -0.266 68.606 68.868 0.006 0.000 0.867 410 T HN 0.568 nan 8.240 nan 0.000 0.454 411 E N 0.971 121.138 120.200 -0.054 0.000 2.106 411 E HA 0.026 4.376 4.350 0.000 0.000 0.192 411 E C 2.224 178.678 176.600 -0.243 0.000 0.984 411 E CA 0.636 56.957 56.400 -0.131 0.000 0.806 411 E CB -0.368 29.234 29.700 -0.162 0.000 0.750 411 E HN 0.539 nan 8.360 nan 0.000 0.458 412 I N 1.568 122.073 120.570 -0.110 0.000 2.315 412 I HA -0.238 3.932 4.170 0.000 0.000 0.248 412 I C 1.982 178.037 176.117 -0.105 0.000 1.117 412 I CA 0.697 61.962 61.300 -0.059 0.000 1.404 412 I CB -0.326 37.753 38.000 0.132 0.000 1.071 412 I HN 0.024 nan 8.210 nan 0.000 0.419 413 N N 0.872 119.503 118.700 -0.115 0.000 2.106 413 N HA -0.130 4.610 4.740 0.000 0.000 0.188 413 N C 2.019 177.433 175.510 -0.160 0.000 1.029 413 N CA 1.846 54.817 53.050 -0.131 0.000 0.848 413 N CB -0.414 38.013 38.487 -0.100 0.000 1.007 413 N HN 0.331 nan 8.380 nan 0.000 0.423 414 V N -0.535 119.249 119.914 -0.216 0.000 2.490 414 V HA -0.043 4.077 4.120 0.000 0.000 0.250 414 V C 2.413 178.293 176.094 -0.358 0.000 1.061 414 V CA 1.601 63.738 62.300 -0.271 0.000 1.064 414 V CB -1.344 30.277 31.823 -0.336 0.000 0.670 414 V HN 0.175 nan 8.190 nan 0.000 0.461 415 A N 0.725 123.230 122.820 -0.525 0.000 1.865 415 A HA -0.123 4.197 4.320 0.000 0.000 0.217 415 A C 2.428 179.937 177.584 -0.125 0.000 1.191 415 A CA 2.416 54.140 52.037 -0.521 0.000 0.623 415 A CB -0.975 17.486 19.000 -0.899 0.000 0.826 415 A HN 0.390 nan 8.150 nan 0.000 0.444 416 V N -0.378 119.498 119.914 -0.064 0.000 2.255 416 V HA -0.260 3.860 4.120 0.000 0.000 0.247 416 V C 2.556 178.650 176.094 0.000 0.000 1.051 416 V CA 2.130 64.437 62.300 0.013 0.000 1.018 416 V CB -0.821 30.915 31.823 -0.145 0.000 0.641 416 V HN 0.500 nan 8.190 nan 0.000 0.445 417 L N -0.459 120.714 121.223 -0.084 0.000 2.042 417 L HA -0.210 4.130 4.340 0.000 0.000 0.210 417 L C 2.457 179.346 176.870 0.030 0.000 1.076 417 L CA 2.215 57.025 54.840 -0.051 0.000 0.749 417 L CB -1.123 40.903 42.059 -0.054 0.000 0.893 417 L HN 0.499 nan 8.230 nan 0.000 0.432 418 H N -0.987 118.033 119.070 -0.082 0.000 2.293 418 H HA -0.140 4.416 4.556 0.000 0.000 0.300 418 H C 2.201 177.526 175.328 -0.004 0.000 1.082 418 H CA 1.753 57.755 56.048 -0.077 0.000 1.308 418 H CB 0.356 30.013 29.762 -0.174 0.000 1.375 418 H HN 0.294 nan 8.280 nan 0.000 0.495 419 S N 0.388 116.008 115.700 -0.133 0.000 2.365 419 S HA -0.159 4.311 4.470 0.000 0.000 0.225 419 S C 1.991 176.556 174.600 -0.058 0.000 1.039 419 S CA 1.521 59.649 58.200 -0.120 0.000 1.033 419 S CB -0.545 62.695 63.200 0.066 0.000 0.887 419 S HN 0.297 nan 8.310 nan 0.000 0.447 420 F N 1.555 121.429 119.950 -0.128 0.000 2.146 420 F HA -0.088 4.439 4.527 0.000 0.000 0.298 420 F C 2.707 178.438 175.800 -0.115 0.000 1.096 420 F CA 1.225 59.168 58.000 -0.094 0.000 1.275 420 F CB -0.835 38.125 39.000 -0.067 0.000 1.008 420 F HN 0.153 nan 8.300 nan 0.000 0.480 421 Q N 0.642 120.476 119.800 0.057 0.000 2.030 421 Q HA -0.248 4.092 4.340 0.000 0.000 0.204 421 Q C 2.276 178.223 176.000 -0.089 0.000 0.986 421 Q CA 2.182 57.971 55.803 -0.024 0.000 0.843 421 Q CB -0.212 28.508 28.738 -0.030 0.000 0.904 421 Q HN 0.302 nan 8.270 nan 0.000 0.420 422 K N -0.223 120.064 120.400 -0.188 0.000 1.985 422 K HA -0.169 4.151 4.320 0.000 0.000 0.210 422 K C 1.689 178.209 176.600 -0.134 0.000 1.047 422 K CA 1.770 57.941 56.287 -0.193 0.000 0.932 422 K CB -0.027 32.274 32.500 -0.331 0.000 0.716 422 K HN 0.278 nan 8.250 nan 0.000 0.439 423 Q N 1.005 120.715 119.800 -0.150 0.000 2.452 423 Q HA 0.023 4.363 4.340 0.000 0.000 0.214 423 Q C -0.662 175.266 176.000 -0.120 0.000 0.966 423 Q CA -0.062 55.660 55.803 -0.136 0.000 0.964 423 Q CB -0.068 28.566 28.738 -0.174 0.000 0.992 423 Q HN 0.304 nan 8.270 nan 0.000 0.517 424 N N 0.022 118.665 118.700 -0.094 0.000 2.705 424 N HA -0.160 4.580 4.740 0.000 0.000 0.255 424 N C -1.424 174.042 175.510 -0.074 0.000 1.008 424 N CA 0.608 53.614 53.050 -0.074 0.000 0.742 424 N CB -1.066 37.382 38.487 -0.066 0.000 0.906 424 N HN 0.036 nan 8.380 nan 0.000 0.541 425 V N 0.803 120.678 119.914 -0.066 0.000 2.448 425 V HA 0.247 4.367 4.120 0.000 0.000 0.295 425 V C 0.797 176.958 176.094 0.112 0.000 1.025 425 V CA -0.715 61.566 62.300 -0.033 0.000 0.859 425 V CB 2.089 33.788 31.823 -0.206 0.000 0.988 425 V HN 0.194 nan 8.190 nan 0.000 0.431 426 T N 6.168 120.748 114.554 0.044 0.000 2.946 426 T HA 0.427 4.777 4.350 0.000 0.000 0.312 426 T C -0.208 174.545 174.700 0.089 0.000 1.066 426 T CA 0.830 62.892 62.100 -0.064 0.000 1.138 426 T CB 0.201 68.894 68.868 -0.291 0.000 1.014 426 T HN 0.616 nan 8.240 nan 0.000 0.544 427 I N 1.825 122.350 120.570 -0.076 0.000 2.739 427 I HA 0.441 4.611 4.170 0.000 0.000 0.295 427 I C -1.809 174.276 176.117 -0.054 0.000 1.677 427 I CA -0.842 60.440 61.300 -0.029 0.000 0.976 427 I CB 1.759 39.639 38.000 -0.200 0.000 1.430 427 I HN 0.675 nan 8.210 nan 0.000 0.525 428 M N 6.255 125.892 119.600 0.062 0.000 2.395 428 M HA 0.413 4.893 4.480 0.000 0.000 0.307 428 M C -1.455 174.887 176.300 0.070 0.000 1.091 428 M CA -0.607 54.746 55.300 0.088 0.000 0.919 428 M CB 1.693 34.433 32.600 0.235 0.000 1.662 428 M HN 0.568 nan 8.290 nan 0.000 0.440 429 D N 3.054 123.495 120.400 0.067 0.000 2.344 429 D HA 0.033 4.673 4.640 0.000 0.000 0.244 429 D C 0.696 177.076 176.300 0.132 0.000 1.134 429 D CA -0.167 53.903 54.000 0.118 0.000 0.930 429 D CB 0.533 41.400 40.800 0.111 0.000 1.175 429 D HN 0.826 nan 8.370 nan 0.000 0.437 430 H N 0.673 119.680 119.070 -0.105 0.000 2.421 430 H HA -0.167 4.389 4.556 0.000 0.000 0.298 430 H C 1.412 176.625 175.328 -0.191 0.000 1.087 430 H CA 1.367 57.301 56.048 -0.190 0.000 1.330 430 H CB -0.875 28.705 29.762 -0.304 0.000 1.388 430 H HN 0.546 nan 8.280 nan 0.000 0.526 431 H N 0.856 119.737 119.070 -0.315 0.000 2.276 431 H HA -0.049 4.507 4.556 0.000 0.000 0.301 431 H C 2.028 177.307 175.328 -0.082 0.000 1.073 431 H CA 2.088 57.995 56.048 -0.234 0.000 1.311 431 H CB -0.345 29.247 29.762 -0.283 0.000 1.379 431 H HN 0.412 nan 8.280 nan 0.000 0.494 432 T N 1.256 115.861 114.554 0.085 0.000 2.788 432 T HA -0.072 4.278 4.350 0.000 0.000 0.268 432 T C 2.350 177.105 174.700 0.092 0.000 1.044 432 T CA 1.023 63.168 62.100 0.076 0.000 1.139 432 T CB -0.418 68.490 68.868 0.067 0.000 0.867 432 T HN 0.421 nan 8.240 nan 0.000 0.454 433 A N 1.681 124.556 122.820 0.093 0.000 1.883 433 A HA -0.130 4.190 4.320 0.000 0.000 0.217 433 A C 2.633 180.286 177.584 0.115 0.000 1.186 433 A CA 2.073 54.179 52.037 0.114 0.000 0.624 433 A CB -0.958 18.096 19.000 0.092 0.000 0.822 433 A HN 0.454 nan 8.150 nan 0.000 0.444 434 S N -0.327 115.411 115.700 0.064 0.000 2.355 434 S HA -0.157 4.313 4.470 0.000 0.000 0.222 434 S C 1.837 176.516 174.600 0.130 0.000 1.031 434 S CA 1.402 59.646 58.200 0.074 0.000 0.993 434 S CB -0.390 62.803 63.200 -0.012 0.000 0.859 434 S HN 0.684 nan 8.310 nan 0.000 0.453 435 E N 1.245 121.501 120.200 0.094 0.000 2.130 435 E HA -0.163 4.187 4.350 0.000 0.000 0.196 435 E C 2.412 179.075 176.600 0.105 0.000 0.998 435 E CA 1.490 57.943 56.400 0.089 0.000 0.806 435 E CB -0.231 29.509 29.700 0.067 0.000 0.738 435 E HN 0.637 nan 8.360 nan 0.000 0.459 436 S N 0.520 116.295 115.700 0.126 0.000 2.371 436 S HA -0.152 4.318 4.470 0.000 0.000 0.224 436 S C 1.917 176.607 174.600 0.149 0.000 1.029 436 S CA 0.484 58.760 58.200 0.127 0.000 0.978 436 S CB -0.516 62.767 63.200 0.139 0.000 0.833 436 S HN 0.301 nan 8.310 nan 0.000 0.466 437 F N 2.107 122.096 119.950 0.065 0.000 2.216 437 F HA 0.020 4.547 4.527 0.000 0.000 0.300 437 F C 2.328 178.193 175.800 0.110 0.000 1.085 437 F CA 1.376 59.429 58.000 0.087 0.000 1.326 437 F CB -0.289 38.736 39.000 0.042 0.000 1.027 437 F HN 0.115 nan 8.300 nan 0.000 0.497 438 M N 0.038 119.720 119.600 0.138 0.000 2.086 438 M HA -0.186 4.294 4.480 0.000 0.000 0.261 438 M C 2.220 178.494 176.300 -0.044 0.000 1.067 438 M CA 1.561 56.888 55.300 0.046 0.000 1.116 438 M CB -1.139 31.513 32.600 0.086 0.000 1.348 438 M HN 0.052 nan 8.290 nan 0.000 0.407 439 K N -0.509 119.890 120.400 -0.003 0.000 2.211 439 K HA -0.187 4.133 4.320 0.000 0.000 0.203 439 K C 1.855 178.432 176.600 -0.039 0.000 1.050 439 K CA 1.452 57.733 56.287 -0.009 0.000 0.945 439 K CB -0.470 32.047 32.500 0.028 0.000 0.732 439 K HN 0.346 nan 8.250 nan 0.000 0.451 440 H N -0.142 118.812 119.070 -0.192 0.000 2.326 440 H HA 0.033 4.589 4.556 0.000 0.000 0.301 440 H C 1.768 176.924 175.328 -0.287 0.000 1.081 440 H CA 2.351 58.243 56.048 -0.259 0.000 1.334 440 H CB -0.054 29.445 29.762 -0.439 0.000 1.385 440 H HN 0.127 nan 8.280 nan 0.000 0.504 441 M N 0.123 119.426 119.600 -0.496 0.000 2.065 441 M HA -0.260 4.220 4.480 0.000 0.000 0.259 441 M C 2.391 178.564 176.300 -0.212 0.000 1.069 441 M CA 2.128 57.194 55.300 -0.390 0.000 1.110 441 M CB -0.336 32.082 32.600 -0.303 0.000 1.328 441 M HN 0.457 nan 8.290 nan 0.000 0.405 442 Q N 0.056 119.756 119.800 -0.165 0.000 2.133 442 Q HA -0.216 4.124 4.340 0.000 0.000 0.208 442 Q C 1.722 177.687 176.000 -0.058 0.000 0.991 442 Q CA 1.650 57.400 55.803 -0.088 0.000 0.867 442 Q CB -0.375 28.326 28.738 -0.061 0.000 0.911 442 Q HN 0.528 nan 8.270 nan 0.000 0.417 443 N N 0.343 118.983 118.700 -0.100 0.000 2.188 443 N HA -0.152 4.588 4.740 0.000 0.000 0.184 443 N C 1.610 177.050 175.510 -0.116 0.000 1.018 443 N CA 1.047 54.050 53.050 -0.078 0.000 0.858 443 N CB -0.171 38.283 38.487 -0.054 0.000 0.989 443 N HN 0.183 nan 8.380 nan 0.000 0.426 444 E N -0.062 119.995 120.200 -0.239 0.000 2.106 444 E HA -0.081 4.269 4.350 0.000 0.000 0.192 444 E C 1.472 178.016 176.600 -0.094 0.000 0.984 444 E CA 0.970 57.212 56.400 -0.264 0.000 0.806 444 E CB -0.168 29.242 29.700 -0.482 0.000 0.750 444 E HN 0.373 nan 8.360 nan 0.000 0.458 445 Y N 0.080 120.278 120.300 -0.169 0.000 2.206 445 Y HA 0.057 4.607 4.550 0.000 0.000 0.292 445 Y C 2.427 178.284 175.900 -0.073 0.000 1.123 445 Y CA 1.308 59.351 58.100 -0.096 0.000 1.142 445 Y CB -0.292 38.127 38.460 -0.068 0.000 1.006 445 Y HN -0.032 nan 8.280 nan 0.000 0.518 446 R N 0.297 120.848 120.500 0.085 0.000 2.127 446 R HA -0.186 4.154 4.340 0.000 0.000 0.238 446 R C 1.959 178.257 176.300 -0.003 0.000 1.134 446 R CA 1.163 57.283 56.100 0.033 0.000 0.975 446 R CB -0.271 30.042 30.300 0.022 0.000 0.865 446 R HN 0.352 nan 8.270 nan 0.000 0.447 447 A N 1.613 124.416 122.820 -0.029 0.000 1.858 447 A HA -0.127 4.193 4.320 0.000 0.000 0.215 447 A C 1.910 179.455 177.584 -0.064 0.000 1.320 447 A CA 1.223 53.235 52.037 -0.042 0.000 0.601 447 A CB -0.378 18.591 19.000 -0.053 0.000 0.976 447 A HN 0.500 nan 8.150 nan 0.000 0.470 448 R N -1.288 119.144 120.500 -0.113 0.000 2.334 448 R HA 0.399 4.739 4.340 0.000 0.000 0.216 448 R C 1.008 177.213 176.300 -0.158 0.000 0.905 448 R CA 0.881 56.908 56.100 -0.121 0.000 1.064 448 R CB -0.008 30.214 30.300 -0.130 0.000 1.046 448 R HN 1.056 nan 8.270 nan 0.000 0.508 449 G N -0.643 108.028 108.800 -0.214 0.000 2.194 449 G HA2 -0.177 3.783 3.960 0.000 0.000 0.236 449 G HA3 -0.177 3.783 3.960 0.000 0.000 0.236 449 G C 0.206 174.740 174.900 -0.610 0.000 0.987 449 G CA -0.349 44.575 45.100 -0.292 0.000 0.635 449 G HN 0.846 nan 8.290 nan 0.000 0.520 450 G N -2.146 106.222 108.800 -0.719 0.000 2.634 450 G HA2 0.618 4.578 3.960 0.000 0.000 0.309 450 G HA3 0.618 4.578 3.960 0.000 0.000 0.309 450 G C -1.121 173.485 174.900 -0.490 0.000 1.299 450 G CA 0.284 44.823 45.100 -0.935 0.000 0.798 450 G HN 1.741 nan 8.290 nan 0.000 0.490 451 C N 1.662 120.922 119.300 -0.066 0.000 3.098 451 C HA 0.464 4.924 4.460 0.000 0.000 0.391 451 C C -2.741 172.237 174.990 -0.020 0.000 1.088 451 C CA -1.038 57.991 59.018 0.018 0.000 1.294 451 C CB 0.579 28.406 27.740 0.145 0.000 1.677 451 C HN 0.621 nan 8.230 nan 0.000 0.510 452 P HA 0.383 nan 4.420 nan 0.000 0.266 452 P C -0.485 176.737 177.300 -0.130 0.000 1.215 452 P CA 0.717 63.458 63.100 -0.598 0.000 0.763 452 P CB 0.956 32.230 31.700 -0.710 0.000 0.806 453 A N 2.922 125.727 122.820 -0.025 0.000 2.398 453 A HA 0.389 4.709 4.320 0.000 0.000 0.301 453 A C -0.729 176.913 177.584 0.097 0.000 1.041 453 A CA -0.557 51.545 52.037 0.108 0.000 0.711 453 A CB 1.205 20.355 19.000 0.250 0.000 1.240 453 A HN 0.446 nan 8.150 nan 0.000 0.420 454 D N 2.357 122.802 120.400 0.074 0.000 2.499 454 D HA 0.097 4.737 4.640 0.000 0.000 0.225 454 D C 0.889 177.310 176.300 0.202 0.000 1.124 454 D CA -0.540 53.533 54.000 0.121 0.000 0.938 454 D CB 0.152 40.973 40.800 0.034 0.000 1.014 454 D HN 0.634 nan 8.370 nan 0.000 0.517 455 W N 4.337 125.664 121.300 0.044 0.000 2.277 455 W HA -0.317 4.343 4.660 0.000 0.000 0.327 455 W C 1.846 178.397 176.519 0.053 0.000 1.284 455 W CA 1.597 58.956 57.345 0.024 0.000 1.277 455 W CB -0.197 29.261 29.460 -0.003 0.000 1.141 455 W HN 0.432 nan 8.180 nan 0.000 0.482 456 I N -1.077 119.811 120.570 0.529 0.000 2.229 456 I HA -0.366 3.804 4.170 0.000 0.000 0.250 456 I C 1.962 178.190 176.117 0.183 0.000 1.096 456 I CA 1.967 63.512 61.300 0.409 0.000 1.358 456 I CB -0.749 37.499 38.000 0.414 0.000 1.047 456 I HN 0.173 nan 8.210 nan 0.000 0.422 457 W N 0.255 121.522 121.300 -0.056 0.000 2.525 457 W HA 0.082 4.742 4.660 0.000 0.000 0.288 457 W C 2.324 178.707 176.519 -0.227 0.000 1.200 457 W CA 0.329 57.601 57.345 -0.122 0.000 1.349 457 W CB -0.609 28.800 29.460 -0.085 0.000 1.102 457 W HN -0.058 nan 8.180 nan 0.000 0.558 458 L N 0.072 121.246 121.223 -0.082 0.000 2.362 458 L HA -0.056 4.284 4.340 0.000 0.000 0.219 458 L C 0.540 177.167 176.870 -0.405 0.000 1.134 458 L CA 0.334 54.983 54.840 -0.318 0.000 0.807 458 L CB -0.921 40.856 42.059 -0.470 0.000 0.927 458 L HN -0.356 nan 8.230 nan 0.000 0.447 459 V N 1.440 121.056 119.914 -0.497 0.000 2.408 459 V HA 0.169 4.290 4.120 0.000 0.000 0.267 459 V C -1.834 174.054 176.094 -0.343 0.000 1.047 459 V CA -1.467 60.515 62.300 -0.531 0.000 0.937 459 V CB 0.800 32.083 31.823 -0.899 0.000 0.999 459 V HN 0.008 nan 8.190 nan 0.000 0.472 460 P HA 0.022 nan 4.420 nan 0.000 0.264 460 P C -1.802 175.359 177.300 -0.232 0.000 1.179 460 P CA -0.742 62.219 63.100 -0.232 0.000 0.763 460 P CB 0.119 31.731 31.700 -0.146 0.000 0.806 461 P HA -0.045 nan 4.420 nan 0.000 0.242 461 P C -0.065 177.120 177.300 -0.191 0.000 1.198 461 P CA 1.102 64.066 63.100 -0.226 0.000 0.756 461 P CB 0.378 31.923 31.700 -0.257 0.000 0.911 462 V N -1.507 118.290 119.914 -0.195 0.000 3.077 462 V HA 0.238 4.358 4.120 0.000 0.000 0.299 462 V C -0.236 175.808 176.094 -0.083 0.000 1.276 462 V CA -0.379 61.835 62.300 -0.144 0.000 0.993 462 V CB 1.788 33.503 31.823 -0.180 0.000 1.076 462 V HN -0.006 nan 8.190 nan 0.000 0.434 463 S N 3.006 118.669 115.700 -0.060 0.000 3.641 463 S HA -0.186 4.284 4.470 0.000 0.000 0.346 463 S C 1.413 175.935 174.600 -0.131 0.000 1.074 463 S CA 1.233 59.400 58.200 -0.054 0.000 1.026 463 S CB -1.421 61.808 63.200 0.048 0.000 0.908 463 S HN 1.798 nan 8.310 nan 0.000 0.479 464 G N 2.393 111.090 108.800 -0.173 0.000 2.586 464 G HA2 -0.309 3.651 3.960 0.000 0.000 0.218 464 G HA3 -0.309 3.651 3.960 0.000 0.000 0.218 464 G C 1.506 176.139 174.900 -0.446 0.000 1.216 464 G CA 1.537 46.507 45.100 -0.217 0.000 0.786 464 G HN 1.229 nan 8.290 nan 0.000 0.583 465 S N 0.499 115.658 115.700 -0.900 0.000 2.469 465 S HA -0.020 4.450 4.470 0.000 0.000 0.238 465 S C 2.094 176.475 174.600 -0.365 0.000 0.998 465 S CA 0.965 58.587 58.200 -0.963 0.000 0.957 465 S CB -0.158 62.532 63.200 -0.851 0.000 0.764 465 S HN 0.217 nan 8.310 nan 0.000 0.514 466 I N 1.895 122.332 120.570 -0.221 0.000 3.001 466 I HA 0.052 4.222 4.170 0.000 0.000 0.268 466 I C 0.734 176.811 176.117 -0.067 0.000 1.267 466 I CA 0.552 61.813 61.300 -0.065 0.000 1.472 466 I CB -2.000 36.013 38.000 0.021 0.000 1.089 466 I HN 0.242 nan 8.210 nan 0.000 0.468 467 T N 2.961 117.412 114.554 -0.171 0.000 2.882 467 T HA 0.198 4.548 4.350 0.000 0.000 0.287 467 T C -1.460 173.123 174.700 -0.196 0.000 0.992 467 T CA -0.960 61.051 62.100 -0.148 0.000 1.076 467 T CB 2.160 70.927 68.868 -0.170 0.000 0.961 467 T HN -0.057 nan 8.240 nan 0.000 0.490 468 P HA -0.102 nan 4.420 nan 0.000 0.217 468 P C 1.798 179.106 177.300 0.014 0.000 1.150 468 P CA 0.567 63.655 63.100 -0.020 0.000 0.832 468 P CB -0.119 31.612 31.700 0.053 0.000 0.787 469 V N -2.910 117.006 119.914 0.003 0.000 2.594 469 V HA -0.236 3.884 4.120 0.000 0.000 0.253 469 V C 2.007 178.106 176.094 0.008 0.000 1.069 469 V CA 1.512 63.815 62.300 0.006 0.000 1.082 469 V CB -1.921 29.834 31.823 -0.112 0.000 0.680 469 V HN -0.033 nan 8.190 nan 0.000 0.469 470 F N 1.629 121.466 119.950 -0.188 0.000 2.234 470 F HA -0.050 4.477 4.527 0.000 0.000 0.299 470 F C 2.226 178.313 175.800 0.478 0.000 1.087 470 F CA 1.948 59.988 58.000 0.067 0.000 1.340 470 F CB -0.184 38.754 39.000 -0.104 0.000 1.031 470 F HN 0.313 nan 8.300 nan 0.000 0.500 471 H N -0.584 118.771 119.070 0.474 0.000 2.533 471 H HA 0.191 4.747 4.556 0.000 0.000 0.271 471 H C 0.125 175.578 175.328 0.207 0.000 1.000 471 H CA 0.176 56.411 56.048 0.313 0.000 1.149 471 H CB -0.525 29.395 29.762 0.263 0.000 1.375 471 H HN 0.275 nan 8.280 nan 0.000 0.582 472 Q N 1.568 121.573 119.800 0.341 0.000 2.325 472 Q HA 0.211 4.551 4.340 0.000 0.000 0.262 472 Q C -0.580 175.570 176.000 0.250 0.000 0.968 472 Q CA -0.474 55.472 55.803 0.238 0.000 0.877 472 Q CB 1.067 29.925 28.738 0.200 0.000 1.253 472 Q HN 0.246 nan 8.270 nan 0.000 0.448 473 E N 3.895 124.170 120.200 0.125 0.000 2.366 473 E HA 0.431 4.781 4.350 0.000 0.000 0.266 473 E C -0.353 176.325 176.600 0.129 0.000 1.051 473 E CA -0.002 56.441 56.400 0.072 0.000 0.884 473 E CB 0.790 30.500 29.700 0.017 0.000 1.006 473 E HN 0.669 nan 8.360 nan 0.000 0.417 474 M N 0.199 119.889 119.600 0.149 0.000 2.534 474 M HA 0.411 4.891 4.480 0.000 0.000 0.280 474 M C -1.901 174.514 176.300 0.192 0.000 1.217 474 M CA -1.208 54.212 55.300 0.199 0.000 0.893 474 M CB 1.169 33.926 32.600 0.261 0.000 1.730 474 M HN 0.105 nan 8.290 nan 0.000 0.483 475 L N 2.506 123.880 121.223 0.251 0.000 2.307 475 L HA 0.567 4.907 4.340 0.000 0.000 0.284 475 L C -0.542 176.481 176.870 0.256 0.000 1.023 475 L CA -0.198 54.817 54.840 0.292 0.000 0.810 475 L CB 1.103 43.405 42.059 0.404 0.000 1.231 475 L HN 0.804 nan 8.230 nan 0.000 0.423 476 N N 3.259 122.081 118.700 0.203 0.000 2.424 476 N HA 0.522 5.262 4.740 0.000 0.000 0.271 476 N C -1.583 174.023 175.510 0.159 0.000 0.985 476 N CA -0.224 52.865 53.050 0.064 0.000 0.921 476 N CB 0.644 39.172 38.487 0.069 0.000 1.149 476 N HN 0.429 nan 8.380 nan 0.000 0.492 477 Y N 0.268 120.584 120.300 0.028 0.000 2.436 477 Y HA 0.442 4.992 4.550 0.000 0.000 0.327 477 Y C -1.016 174.843 175.900 -0.068 0.000 1.138 477 Y CA -1.383 56.703 58.100 -0.023 0.000 1.042 477 Y CB 0.112 38.559 38.460 -0.021 0.000 1.302 477 Y HN 0.014 nan 8.280 nan 0.000 0.439 478 V N 5.219 125.093 119.914 -0.067 0.000 2.479 478 V HA 0.209 4.329 4.120 0.000 0.000 0.281 478 V C 0.376 176.341 176.094 -0.214 0.000 1.031 478 V CA 0.069 62.115 62.300 -0.423 0.000 1.038 478 V CB 0.098 31.517 31.823 -0.674 0.000 0.981 478 V HN 0.803 nan 8.190 nan 0.000 0.478 479 L N 3.266 124.388 121.223 -0.168 0.000 2.422 479 L HA 0.754 5.094 4.340 0.000 0.000 0.263 479 L C 0.150 177.007 176.870 -0.022 0.000 1.110 479 L CA -0.569 54.266 54.840 -0.008 0.000 1.065 479 L CB 1.801 43.907 42.059 0.079 0.000 1.701 479 L HN 0.595 nan 8.230 nan 0.000 0.548 480 S N -0.139 115.583 115.700 0.037 0.000 2.546 480 S HA 0.554 5.024 4.470 0.000 0.000 0.272 480 S C -2.728 171.906 174.600 0.057 0.000 1.140 480 S CA -1.099 57.126 58.200 0.042 0.000 0.920 480 S CB 2.028 65.229 63.200 0.002 0.000 1.083 480 S HN 0.252 nan 8.310 nan 0.000 0.476 481 P HA 0.422 nan 4.420 nan 0.000 0.273 481 P C -1.073 176.220 177.300 -0.013 0.000 1.250 481 P CA -0.238 62.825 63.100 -0.061 0.000 0.793 481 P CB 0.371 31.957 31.700 -0.190 0.000 1.011 482 F N -0.735 119.039 119.950 -0.292 0.000 2.678 482 F HA 0.378 4.905 4.527 0.000 0.000 0.308 482 F C -1.464 174.069 175.800 -0.445 0.000 1.118 482 F CA -0.839 56.921 58.000 -0.400 0.000 0.959 482 F CB 1.296 40.050 39.000 -0.411 0.000 1.305 482 F HN 0.103 nan 8.300 nan 0.000 0.443 483 Y N 4.397 124.299 120.300 -0.664 0.000 2.595 483 Y HA 0.393 4.943 4.550 0.000 0.000 0.336 483 Y C -0.850 174.880 175.900 -0.283 0.000 0.996 483 Y CA -0.687 57.185 58.100 -0.380 0.000 1.260 483 Y CB -0.025 38.140 38.460 -0.492 0.000 1.108 483 Y HN 0.346 nan 8.280 nan 0.000 0.509 484 Y N 1.020 121.486 120.300 0.278 0.000 2.354 484 Y HA 0.287 4.837 4.550 0.000 0.000 0.322 484 Y C 0.151 176.216 175.900 0.275 0.000 1.253 484 Y CA -0.740 57.585 58.100 0.375 0.000 1.272 484 Y CB 0.647 39.290 38.460 0.305 0.000 1.255 484 Y HN 0.422 nan 8.280 nan 0.000 0.500 485 Y N 0.520 120.982 120.300 0.269 0.000 2.314 485 Y HA 0.357 4.907 4.550 0.000 0.000 0.359 485 Y C -0.175 175.803 175.900 0.130 0.000 1.360 485 Y CA -0.899 57.285 58.100 0.141 0.000 1.697 485 Y CB 0.581 39.089 38.460 0.080 0.000 1.630 485 Y HN 0.462 nan 8.280 nan 0.000 0.583 486 Q N -0.732 119.211 119.800 0.240 0.000 2.545 486 Q HA 0.418 4.758 4.340 0.000 0.000 0.273 486 Q C -1.708 174.289 176.000 -0.005 0.000 0.975 486 Q CA -0.837 55.025 55.803 0.099 0.000 0.876 486 Q CB 1.285 30.065 28.738 0.071 0.000 1.472 486 Q HN 0.564 nan 8.270 nan 0.000 0.389 487 I N 2.157 122.689 120.570 -0.064 0.000 2.821 487 I HA -0.107 4.063 4.170 0.000 0.000 0.294 487 I C 0.245 176.163 176.117 -0.332 0.000 1.210 487 I CA 0.565 61.767 61.300 -0.164 0.000 1.430 487 I CB 0.193 38.100 38.000 -0.154 0.000 1.356 487 I HN 0.600 nan 8.210 nan 0.000 0.563 488 E N 9.615 129.514 120.200 -0.501 0.000 2.614 488 E HA -0.074 4.276 4.350 0.000 0.000 0.245 488 E C -1.300 174.578 176.600 -1.204 0.000 1.039 488 E CA -0.949 54.833 56.400 -1.030 0.000 0.948 488 E CB 0.045 28.908 29.700 -1.395 0.000 0.937 488 E HN 0.463 nan 8.360 nan 0.000 0.498 489 P HA -0.243 nan 4.420 nan 0.000 0.217 489 P C 0.984 177.664 177.300 -1.032 0.000 1.158 489 P CA 1.748 64.258 63.100 -0.983 0.000 0.887 489 P CB -0.263 30.644 31.700 -1.322 0.000 0.792 490 W N 0.961 121.621 121.300 -1.068 0.000 2.480 490 W HA 0.002 4.662 4.660 0.000 0.000 0.257 490 W C 1.722 178.056 176.519 -0.309 0.000 1.235 490 W CA 0.623 57.553 57.345 -0.691 0.000 1.218 490 W CB -1.418 27.812 29.460 -0.384 0.000 1.131 490 W HN -0.026 nan 8.180 nan 0.000 0.606 491 K N -0.113 119.989 120.400 -0.497 0.000 2.128 491 K HA -0.012 4.308 4.320 0.000 0.000 0.202 491 K C 0.975 177.474 176.600 -0.169 0.000 1.050 491 K CA 1.291 57.416 56.287 -0.270 0.000 0.966 491 K CB -0.370 31.931 32.500 -0.333 0.000 0.759 491 K HN -0.036 nan 8.250 nan 0.000 0.454 492 T N 1.390 115.831 114.554 -0.189 0.000 3.400 492 T HA 0.130 4.480 4.350 0.000 0.000 0.364 492 T C -1.720 173.020 174.700 0.066 0.000 1.636 492 T CA -0.370 61.686 62.100 -0.075 0.000 1.211 492 T CB -0.439 68.374 68.868 -0.092 0.000 1.180 492 T HN 0.169 nan 8.240 nan 0.000 0.730 493 H N 2.547 121.591 119.070 -0.043 0.000 3.026 493 H HA 0.406 4.962 4.556 0.000 0.000 0.352 493 H C -0.886 174.504 175.328 0.102 0.000 1.090 493 H CA -0.743 55.350 56.048 0.075 0.000 1.268 493 H CB 0.992 30.878 29.762 0.207 0.000 1.816 493 H HN 0.441 nan 8.280 nan 0.000 0.518 494 I N 4.732 125.055 120.570 -0.410 0.000 2.347 494 I HA 0.018 4.188 4.170 0.000 0.000 0.294 494 I C -0.230 175.816 176.117 -0.118 0.000 1.090 494 I CA -0.139 61.032 61.300 -0.216 0.000 1.314 494 I CB 0.086 37.997 38.000 -0.149 0.000 1.423 494 I HN 0.364 nan 8.210 nan 0.000 0.503 495 W N 5.839 127.057 121.300 -0.137 0.000 2.166 495 W HA 0.209 4.869 4.660 0.000 0.000 0.364 495 W C 0.696 177.200 176.519 -0.024 0.000 1.344 495 W CA -0.613 56.718 57.345 -0.023 0.000 1.471 495 W CB 0.429 29.931 29.460 0.071 0.000 1.220 495 W HN 0.434 nan 8.180 nan 0.000 0.666 496 Q N 0.000 119.853 119.800 0.088 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.813 55.803 0.017 0.000 1.022 496 Q CB 0.000 28.696 28.738 -0.071 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481