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_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDXXXXX 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 0.000 176.214 176.000 0.356 0.000 1.003 77 Q CA 0.000 55.863 55.803 0.099 0.000 1.022 77 Q CB 0.000 28.681 28.738 -0.095 0.000 1.108 78 Y N -1.405 119.032 120.300 0.229 0.000 2.677 78 Y HA 0.712 5.262 4.550 -0.000 0.000 0.334 78 Y C -1.690 174.246 175.900 0.059 0.000 1.196 78 Y CA -1.345 56.895 58.100 0.234 0.000 1.059 78 Y CB 0.848 39.406 38.460 0.163 0.000 1.315 78 Y HN -0.176 nan 8.280 nan 0.000 0.455 79 V N 2.970 123.060 119.914 0.292 0.000 2.513 79 V HA 0.558 4.678 4.120 -0.000 0.000 0.299 79 V C -0.076 176.133 176.094 0.191 0.000 1.035 79 V CA -0.921 61.438 62.300 0.098 0.000 0.889 79 V CB 1.503 33.181 31.823 -0.242 0.000 0.988 79 V HN 0.810 nan 8.190 nan 0.000 0.440 80 R N 3.988 124.611 120.500 0.205 0.000 2.265 80 R HA 0.616 4.955 4.340 -0.000 0.000 0.314 80 R C -1.157 175.158 176.300 0.026 0.000 1.053 80 R CA -0.300 55.905 56.100 0.174 0.000 0.931 80 R CB 0.627 31.053 30.300 0.211 0.000 1.024 80 R HN 0.689 nan 8.270 nan 0.000 0.457 81 I N 4.250 124.792 120.570 -0.046 0.000 2.466 81 I HA 0.279 4.449 4.170 -0.000 0.000 0.289 81 I C -0.487 175.529 176.117 -0.168 0.000 1.026 81 I CA -0.695 60.553 61.300 -0.086 0.000 1.078 81 I CB 2.034 39.987 38.000 -0.078 0.000 1.249 81 I HN 0.494 nan 8.210 nan 0.000 0.429 82 K N 6.042 126.295 120.400 -0.245 0.000 2.207 82 K HA 0.327 4.647 4.320 -0.000 0.000 0.255 82 K C -0.636 175.689 176.600 -0.459 0.000 0.941 82 K CA -0.679 55.344 56.287 -0.441 0.000 0.825 82 K CB 1.503 33.540 32.500 -0.773 0.000 1.119 82 K HN 0.555 nan 8.250 nan 0.000 0.430 83 N N 4.092 122.574 118.700 -0.362 0.000 2.485 83 N HA 0.063 4.803 4.740 -0.000 0.000 0.243 83 N C -0.207 175.177 175.510 -0.209 0.000 0.987 83 N CA -0.347 52.583 53.050 -0.199 0.000 0.940 83 N CB 0.448 38.876 38.487 -0.098 0.000 1.122 83 N HN 0.657 nan 8.380 nan 0.000 0.509 84 W N 2.736 124.049 121.300 0.021 0.000 2.848 84 W HA 0.119 4.779 4.660 -0.000 0.000 0.241 84 W C 1.896 178.428 176.519 0.022 0.000 1.289 84 W CA -0.125 57.237 57.345 0.029 0.000 1.396 84 W CB 0.296 29.778 29.460 0.037 0.000 1.138 84 W HN 0.640 nan 8.180 nan 0.000 0.677 85 G N -0.078 108.822 108.800 0.166 0.000 2.615 85 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.213 85 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.213 85 G C 1.536 176.479 174.900 0.072 0.000 1.215 85 G CA 0.887 46.054 45.100 0.111 0.000 0.843 85 G HN 0.206 nan 8.290 nan 0.000 0.571 86 S N -0.152 115.567 115.700 0.032 0.000 2.522 86 S HA 0.313 4.783 4.470 -0.000 0.000 0.227 86 S C 1.928 176.525 174.600 -0.005 0.000 0.986 86 S CA 1.119 59.327 58.200 0.013 0.000 0.929 86 S CB -0.097 63.101 63.200 -0.004 0.000 0.769 86 S HN 1.705 nan 8.310 nan 0.000 0.529 87 G N 1.038 109.822 108.800 -0.026 0.000 2.155 87 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.257 87 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.257 87 G C -0.172 174.652 174.900 -0.127 0.000 0.983 87 G CA 0.387 45.442 45.100 -0.074 0.000 0.676 87 G HN 0.731 nan 8.290 nan 0.000 0.528 88 E N 0.443 120.571 120.200 -0.120 0.000 2.373 88 E HA 0.468 4.818 4.350 -0.000 0.000 0.267 88 E C 0.969 177.455 176.600 -0.189 0.000 1.032 88 E CA -0.568 55.754 56.400 -0.129 0.000 0.889 88 E CB 0.263 29.904 29.700 -0.098 0.000 0.984 88 E HN 0.542 nan 8.360 nan 0.000 0.425 89 I N 2.849 123.303 120.570 -0.192 0.000 2.441 89 I HA 0.447 4.617 4.170 -0.000 0.000 0.295 89 I C -0.638 175.274 176.117 -0.342 0.000 0.994 89 I CA -0.951 60.204 61.300 -0.242 0.000 1.144 89 I CB 1.061 38.949 38.000 -0.186 0.000 1.314 89 I HN 0.349 nan 8.210 nan 0.000 0.445 90 L N 4.836 125.841 121.223 -0.363 0.000 2.354 90 L HA 0.542 4.882 4.340 -0.000 0.000 0.264 90 L C -1.011 175.580 176.870 -0.465 0.000 1.008 90 L CA -0.694 53.884 54.840 -0.437 0.000 0.819 90 L CB 2.482 44.401 42.059 -0.234 0.000 1.339 90 L HN 0.630 nan 8.230 nan 0.000 0.420 91 H N 0.025 118.949 119.070 -0.244 0.000 2.587 91 H HA 0.218 4.774 4.556 -0.000 0.000 0.325 91 H C -1.104 174.068 175.328 -0.260 0.000 1.012 91 H CA -0.758 55.039 56.048 -0.418 0.000 1.213 91 H CB 1.807 30.988 29.762 -0.970 0.000 1.431 91 H HN 0.370 nan 8.280 nan 0.000 0.492 92 D N 2.524 122.906 120.400 -0.029 0.000 2.316 92 D HA 0.055 4.695 4.640 -0.000 0.000 0.245 92 D C 0.284 176.707 176.300 0.206 0.000 1.171 92 D CA 0.113 54.134 54.000 0.034 0.000 0.856 92 D CB 1.478 42.257 40.800 -0.035 0.000 1.090 92 D HN 0.590 nan 8.370 nan 0.000 0.476 93 T N 3.947 118.607 114.554 0.177 0.000 3.046 93 T HA 0.045 4.395 4.350 -0.000 0.000 0.242 93 T C 2.072 176.806 174.700 0.057 0.000 1.018 93 T CA -0.153 62.052 62.100 0.175 0.000 1.131 93 T CB 0.073 69.016 68.868 0.126 0.000 0.904 93 T HN 0.358 nan 8.240 nan 0.000 0.459 94 L N 1.747 123.016 121.223 0.076 0.000 2.089 94 L HA -0.264 4.076 4.340 -0.000 0.000 0.213 94 L C 2.572 179.424 176.870 -0.030 0.000 1.079 94 L CA 2.247 57.104 54.840 0.030 0.000 0.758 94 L CB -0.585 41.501 42.059 0.045 0.000 0.891 94 L HN 0.636 nan 8.230 nan 0.000 0.433 95 H N -2.873 116.141 119.070 -0.093 0.000 2.496 95 H HA -0.251 4.305 4.556 -0.000 0.000 0.296 95 H C 1.882 177.159 175.328 -0.086 0.000 1.107 95 H CA 1.902 57.884 56.048 -0.109 0.000 1.263 95 H CB -0.713 28.959 29.762 -0.151 0.000 1.369 95 H HN 0.492 nan 8.280 nan 0.000 0.541 96 H N 1.039 119.809 119.070 -0.499 0.000 2.389 96 H HA 0.019 4.575 4.556 -0.000 0.000 0.299 96 H C 1.364 176.618 175.328 -0.123 0.000 1.081 96 H CA 1.117 56.975 56.048 -0.316 0.000 1.345 96 H CB 0.172 29.752 29.762 -0.303 0.000 1.393 96 H HN 0.395 nan 8.280 nan 0.000 0.520 97 K N 1.222 121.638 120.400 0.027 0.000 2.611 97 K HA 0.144 4.464 4.320 -0.000 0.000 0.193 97 K C 0.740 177.353 176.600 0.021 0.000 1.026 97 K CA -0.069 56.233 56.287 0.024 0.000 1.063 97 K CB 0.282 32.794 32.500 0.020 0.000 0.839 97 K HN 0.206 nan 8.250 nan 0.000 0.505 98 A N 1.128 123.963 122.820 0.024 0.000 2.407 98 A HA 0.071 4.391 4.320 -0.000 0.000 0.257 98 A C 0.506 178.106 177.584 0.026 0.000 1.131 98 A CA 0.221 52.276 52.037 0.030 0.000 0.803 98 A CB 0.208 19.235 19.000 0.045 0.000 1.083 98 A HN 0.164 nan 8.150 nan 0.000 0.512 99 T N -0.171 114.397 114.554 0.024 0.000 2.944 99 T HA 0.371 4.721 4.350 -0.000 0.000 0.284 99 T C 1.121 175.832 174.700 0.019 0.000 1.010 99 T CA 0.090 62.201 62.100 0.018 0.000 1.025 99 T CB 1.261 70.137 68.868 0.014 0.000 1.079 99 T HN 0.543 nan 8.240 nan 0.000 0.516 100 S N 1.215 116.924 115.700 0.014 0.000 2.803 100 S HA 0.153 4.623 4.470 -0.000 0.000 0.226 100 S C 0.967 175.573 174.600 0.011 0.000 0.962 100 S CA 0.101 58.309 58.200 0.013 0.000 0.968 100 S CB -1.245 61.961 63.200 0.009 0.000 0.786 100 S HN 0.888 nan 8.310 nan 0.000 0.527 109 C N 2.991 122.296 119.300 0.008 0.000 2.629 109 C HA 0.278 4.738 4.460 -0.000 0.000 0.410 109 C C 1.887 176.884 174.990 0.013 0.000 1.339 109 C CA -0.365 58.659 59.018 0.010 0.000 1.810 109 C CB -0.606 27.138 27.740 0.006 0.000 2.549 109 C HN 0.749 nan 8.230 nan 0.000 0.589 110 L N 4.663 125.896 121.223 0.016 0.000 2.395 110 L HA 0.069 4.409 4.340 -0.000 0.000 0.218 110 L C 2.532 179.426 176.870 0.040 0.000 1.130 110 L CA 1.637 56.488 54.840 0.018 0.000 0.826 110 L CB -1.703 40.363 42.059 0.012 0.000 0.941 110 L HN 1.094 nan 8.230 nan 0.000 0.451 111 G N 0.110 108.938 108.800 0.046 0.000 2.888 111 G HA2 -0.470 3.490 3.960 -0.000 0.000 0.231 111 G HA3 -0.470 3.490 3.960 -0.000 0.000 0.231 111 G C 1.825 176.794 174.900 0.114 0.000 1.113 111 G CA 1.642 46.786 45.100 0.073 0.000 0.745 111 G HN 0.448 nan 8.290 nan 0.000 0.647 112 S N -0.384 115.379 115.700 0.105 0.000 2.423 112 S HA 0.083 4.553 4.470 -0.000 0.000 0.231 112 S C 1.231 175.934 174.600 0.171 0.000 1.014 112 S CA -0.171 58.113 58.200 0.140 0.000 0.965 112 S CB -0.248 63.016 63.200 0.105 0.000 0.785 112 S HN 0.176 nan 8.310 nan 0.000 0.495 113 I N 2.915 123.565 120.570 0.133 0.000 2.618 113 I HA 0.028 4.198 4.170 -0.000 0.000 0.284 113 I C 1.607 177.819 176.117 0.158 0.000 1.146 113 I CA 0.331 61.721 61.300 0.150 0.000 1.425 113 I CB 0.313 38.362 38.000 0.083 0.000 1.383 113 I HN 0.388 nan 8.210 nan 0.000 0.562 114 M N 4.636 124.383 119.600 0.245 0.000 2.073 114 M HA -0.089 4.391 4.480 -0.000 0.000 0.259 114 M C 0.402 176.638 176.300 -0.106 0.000 1.079 114 M CA 1.552 56.943 55.300 0.152 0.000 1.131 114 M CB -0.238 32.443 32.600 0.133 0.000 1.316 114 M HN 0.504 nan 8.290 nan 0.000 0.415 115 N N 1.534 120.201 118.700 -0.055 0.000 3.044 115 N HA 0.306 5.046 4.740 -0.000 0.000 0.254 115 N C -2.330 173.101 175.510 -0.131 0.000 1.253 115 N CA -0.804 52.097 53.050 -0.249 0.000 0.944 115 N CB 0.389 38.816 38.487 -0.100 0.000 1.217 115 N HN 0.297 nan 8.380 nan 0.000 0.498 116 P HA 0.224 nan 4.420 nan 0.000 0.276 116 P C 0.519 177.789 177.300 -0.049 0.000 1.261 116 P CA -0.374 62.688 63.100 -0.063 0.000 0.800 116 P CB 2.057 33.724 31.700 -0.054 0.000 1.066 117 K N -0.067 120.326 120.400 -0.012 0.000 2.228 117 K HA -0.041 4.279 4.320 -0.000 0.000 0.202 117 K C 2.015 178.636 176.600 0.035 0.000 1.051 117 K CA 1.410 57.703 56.287 0.010 0.000 0.960 117 K CB -0.201 32.304 32.500 0.008 0.000 0.743 117 K HN 0.486 nan 8.250 nan 0.000 0.458 118 S N 0.515 116.227 115.700 0.021 0.000 2.474 118 S HA -0.083 4.386 4.470 -0.000 0.000 0.235 118 S C 1.487 176.124 174.600 0.062 0.000 0.997 118 S CA 0.733 58.953 58.200 0.033 0.000 0.949 118 S CB 0.006 63.207 63.200 0.001 0.000 0.766 118 S HN 0.095 nan 8.310 nan 0.000 0.517 119 L N 1.077 122.336 121.223 0.060 0.000 2.693 119 L HA 0.400 4.740 4.340 -0.000 0.000 0.235 119 L C 0.300 177.377 176.870 0.346 0.000 1.127 119 L CA 0.530 55.439 54.840 0.115 0.000 0.914 119 L CB 0.239 42.291 42.059 -0.012 0.000 1.193 119 L HN 0.174 nan 8.230 nan 0.000 0.502 120 T N -0.726 114.005 114.554 0.296 0.000 2.944 120 T HA 0.581 4.931 4.350 -0.000 0.000 0.284 120 T C -0.473 174.379 174.700 0.253 0.000 1.010 120 T CA -0.487 61.793 62.100 0.300 0.000 1.025 120 T CB 2.112 71.057 68.868 0.128 0.000 1.079 120 T HN -0.130 nan 8.240 nan 0.000 0.516 121 R N 0.748 121.330 120.500 0.137 0.000 2.797 121 R HA 0.495 4.835 4.340 -0.000 0.000 0.274 121 R C 0.190 176.478 176.300 -0.019 0.000 1.652 121 R CA -0.274 55.792 56.100 -0.057 0.000 1.175 121 R CB 0.218 30.360 30.300 -0.263 0.000 1.283 121 R HN 0.852 nan 8.270 nan 0.000 0.513 122 G N 2.833 111.618 108.800 -0.025 0.000 2.525 122 G HA2 0.313 4.273 3.960 -0.000 0.000 0.276 122 G HA3 0.313 4.273 3.960 -0.000 0.000 0.276 122 G C -1.808 173.073 174.900 -0.031 0.000 1.388 122 G CA -0.867 44.218 45.100 -0.026 0.000 1.050 122 G HN 0.453 nan 8.290 nan 0.000 0.520 123 P HA 0.332 nan 4.420 nan 0.000 0.281 123 P C 0.031 177.317 177.300 -0.022 0.000 1.274 123 P CA -0.098 62.990 63.100 -0.020 0.000 0.794 123 P CB 0.400 32.089 31.700 -0.018 0.000 1.201 124 R N -1.622 118.867 120.500 -0.018 0.000 2.756 124 R HA 0.280 4.620 4.340 -0.000 0.000 0.273 124 R C -0.821 175.463 176.300 -0.027 0.000 1.030 124 R CA -0.518 55.568 56.100 -0.024 0.000 0.887 124 R CB 1.007 31.292 30.300 -0.026 0.000 1.274 124 R HN 0.301 nan 8.270 nan 0.000 0.461 125 D N -0.422 119.959 120.400 -0.032 0.000 2.345 125 D HA 0.203 4.843 4.640 -0.000 0.000 0.290 125 D C -0.893 175.381 176.300 -0.043 0.000 1.107 125 D CA 0.571 54.547 54.000 -0.040 0.000 0.836 125 D CB 1.017 41.798 40.800 -0.031 0.000 1.406 125 D HN 0.179 nan 8.370 nan 0.000 0.532 126 K N 0.548 120.928 120.400 -0.033 0.000 2.443 126 K HA 0.541 4.861 4.320 -0.000 0.000 0.251 126 K C -2.692 173.894 176.600 -0.023 0.000 0.972 126 K CA -1.720 54.550 56.287 -0.028 0.000 0.833 126 K CB 2.674 35.162 32.500 -0.020 0.000 1.317 126 K HN -0.241 nan 8.250 nan 0.000 0.441 127 P HA 0.025 nan 4.420 nan 0.000 0.282 127 P C -0.667 176.630 177.300 -0.004 0.000 1.286 127 P CA -0.299 62.796 63.100 -0.009 0.000 0.777 127 P CB 0.303 32.004 31.700 0.001 0.000 1.184 128 T N 1.820 116.377 114.554 0.005 0.000 2.738 128 T HA 0.223 4.573 4.350 -0.000 0.000 0.294 128 T C -2.232 172.478 174.700 0.017 0.000 0.914 128 T CA -0.914 61.195 62.100 0.016 0.000 1.052 128 T CB -0.632 68.257 68.868 0.036 0.000 0.897 128 T HN 0.239 nan 8.240 nan 0.000 0.522 129 P HA -0.010 nan 4.420 nan 0.000 0.256 129 P C 1.332 178.629 177.300 -0.005 0.000 1.173 129 P CA -0.132 62.968 63.100 -0.001 0.000 0.768 129 P CB 0.304 32.001 31.700 -0.006 0.000 0.758 130 L N 4.086 125.306 121.223 -0.005 0.000 2.058 130 L HA -0.275 4.065 4.340 -0.000 0.000 0.226 130 L C 2.360 179.210 176.870 -0.034 0.000 1.089 130 L CA 2.394 57.227 54.840 -0.012 0.000 0.799 130 L CB -1.392 40.660 42.059 -0.012 0.000 0.900 130 L HN 0.545 nan 8.230 nan 0.000 0.442 131 E N 0.148 120.324 120.200 -0.040 0.000 2.273 131 E HA -0.239 4.111 4.350 -0.000 0.000 0.198 131 E C 1.560 178.098 176.600 -0.103 0.000 1.002 131 E CA 1.555 57.920 56.400 -0.060 0.000 0.828 131 E CB -0.247 29.425 29.700 -0.047 0.000 0.747 131 E HN 0.668 nan 8.360 nan 0.000 0.491 132 E N 0.810 120.946 120.200 -0.107 0.000 2.065 132 E HA 0.102 4.452 4.350 -0.000 0.000 0.191 132 E C 2.412 178.873 176.600 -0.232 0.000 0.960 132 E CA 0.152 56.425 56.400 -0.213 0.000 0.824 132 E CB -0.217 29.431 29.700 -0.087 0.000 0.793 132 E HN 0.096 nan 8.360 nan 0.000 0.459 133 L N 1.333 122.533 121.223 -0.039 0.000 2.051 133 L HA -0.247 4.093 4.340 -0.000 0.000 0.214 133 L C 2.422 179.301 176.870 0.014 0.000 1.076 133 L CA 0.808 55.682 54.840 0.056 0.000 0.758 133 L CB -0.128 41.972 42.059 0.069 0.000 0.890 133 L HN 0.182 nan 8.230 nan 0.000 0.433 134 L N 0.242 121.433 121.223 -0.054 0.000 1.961 134 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 134 L C -0.409 176.426 176.870 -0.058 0.000 1.072 134 L CA 2.141 56.940 54.840 -0.069 0.000 0.749 134 L CB -1.939 40.078 42.059 -0.070 0.000 0.889 134 L HN 0.070 nan 8.230 nan 0.000 0.432 135 P HA -0.159 nan 4.420 nan 0.000 0.216 135 P C 1.292 178.621 177.300 0.049 0.000 1.150 135 P CA 1.486 64.549 63.100 -0.063 0.000 0.843 135 P CB -0.164 31.455 31.700 -0.134 0.000 0.787 136 H N -0.564 118.550 119.070 0.074 0.000 2.321 136 H HA -0.025 4.531 4.556 -0.000 0.000 0.300 136 H C 2.006 177.449 175.328 0.191 0.000 1.087 136 H CA 1.508 57.629 56.048 0.122 0.000 1.319 136 H CB -1.184 28.642 29.762 0.107 0.000 1.379 136 H HN 0.038 nan 8.280 nan 0.000 0.501 137 A N 1.943 124.928 122.820 0.275 0.000 1.851 137 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 137 A C 2.506 180.213 177.584 0.205 0.000 1.195 137 A CA 1.963 54.133 52.037 0.223 0.000 0.622 137 A CB -0.712 18.191 19.000 -0.162 0.000 0.831 137 A HN 0.325 nan 8.150 nan 0.000 0.444 138 I N -0.379 120.247 120.570 0.093 0.000 2.163 138 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 138 I C 2.236 178.440 176.117 0.145 0.000 1.085 138 I CA 1.991 63.341 61.300 0.083 0.000 1.347 138 I CB -1.939 36.083 38.000 0.036 0.000 1.044 138 I HN 0.441 nan 8.210 nan 0.000 0.408 139 E N 0.762 121.070 120.200 0.181 0.000 2.070 139 E HA -0.256 4.094 4.350 -0.000 0.000 0.197 139 E C 2.130 178.876 176.600 0.244 0.000 1.004 139 E CA 1.665 58.185 56.400 0.200 0.000 0.805 139 E CB -0.329 29.508 29.700 0.229 0.000 0.744 139 E HN 0.441 nan 8.360 nan 0.000 0.451 140 F N 1.519 121.586 119.950 0.195 0.000 2.046 140 F HA -0.209 4.318 4.527 -0.000 0.000 0.297 140 F C 2.015 177.955 175.800 0.233 0.000 1.123 140 F CA 1.478 59.617 58.000 0.232 0.000 1.199 140 F CB -0.426 38.734 39.000 0.268 0.000 0.972 140 F HN -0.071 nan 8.300 nan 0.000 0.474 141 I N 0.572 121.084 120.570 -0.097 0.000 2.335 141 I HA -0.361 3.809 4.170 -0.000 0.000 0.251 141 I C 2.172 178.269 176.117 -0.033 0.000 1.129 141 I CA 1.438 62.650 61.300 -0.147 0.000 1.402 141 I CB -0.706 37.337 38.000 0.072 0.000 1.069 141 I HN 0.305 nan 8.210 nan 0.000 0.424 142 N N 0.336 119.074 118.700 0.064 0.000 2.270 142 N HA -0.196 4.544 4.740 -0.000 0.000 0.181 142 N C 1.868 177.387 175.510 0.015 0.000 1.016 142 N CA 0.971 54.095 53.050 0.124 0.000 0.870 142 N CB -0.031 38.565 38.487 0.183 0.000 0.979 142 N HN 0.516 nan 8.380 nan 0.000 0.431 143 Q N 0.134 119.932 119.800 -0.004 0.000 1.993 143 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 143 Q C 1.970 177.893 176.000 -0.129 0.000 0.984 143 Q CA 1.350 57.176 55.803 0.038 0.000 0.837 143 Q CB -0.222 28.627 28.738 0.185 0.000 0.902 143 Q HN 0.311 nan 8.270 nan 0.000 0.423 144 Y N 0.122 120.062 120.300 -0.600 0.000 1.993 144 Y HA -0.354 4.196 4.550 -0.000 0.000 0.267 144 Y C 1.885 177.301 175.900 -0.806 0.000 1.155 144 Y CA 2.341 59.770 58.100 -1.118 0.000 1.105 144 Y CB -0.830 36.960 38.460 -1.116 0.000 0.960 144 Y HN 0.253 nan 8.280 nan 0.000 0.486 145 Y N -0.282 119.903 120.300 -0.192 0.000 2.403 145 Y HA -0.066 4.484 4.550 -0.000 0.000 0.291 145 Y C 2.597 178.347 175.900 -0.251 0.000 1.143 145 Y CA 1.196 59.125 58.100 -0.284 0.000 1.257 145 Y CB -0.858 37.136 38.460 -0.776 0.000 0.984 145 Y HN 0.270 nan 8.280 nan 0.000 0.550 146 G N -1.712 107.033 108.800 -0.093 0.000 2.679 146 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.212 146 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.212 146 G C 1.774 176.667 174.900 -0.012 0.000 1.137 146 G CA 0.876 45.972 45.100 -0.006 0.000 0.787 146 G HN 0.393 nan 8.290 nan 0.000 0.534 147 S N -0.004 115.640 115.700 -0.093 0.000 2.331 147 S HA 0.104 4.574 4.470 -0.000 0.000 0.208 147 S C 0.893 175.480 174.600 -0.021 0.000 1.032 147 S CA -0.465 57.694 58.200 -0.068 0.000 0.991 147 S CB -0.472 62.604 63.200 -0.208 0.000 0.980 147 S HN 0.131 nan 8.310 nan 0.000 0.433 148 F N 3.435 123.290 119.950 -0.159 0.000 2.623 148 F HA 0.067 4.594 4.527 -0.000 0.000 0.381 148 F C 0.756 176.539 175.800 -0.029 0.000 1.081 148 F CA 0.604 58.550 58.000 -0.089 0.000 1.293 148 F CB 0.319 39.256 39.000 -0.105 0.000 1.006 148 F HN 0.254 nan 8.300 nan 0.000 0.578 149 K N 6.359 126.684 120.400 -0.125 0.000 2.448 149 K HA -0.010 4.310 4.320 -0.000 0.000 0.278 149 K C -0.246 176.497 176.600 0.238 0.000 1.009 149 K CA 0.129 56.422 56.287 0.011 0.000 0.995 149 K CB 0.224 32.671 32.500 -0.088 0.000 0.917 149 K HN 0.779 nan 8.250 nan 0.000 0.481 150 E N 0.626 120.921 120.200 0.159 0.000 3.439 150 E HA -0.220 4.130 4.350 -0.000 0.000 0.149 150 E C -1.012 175.702 176.600 0.190 0.000 1.846 150 E CA 0.458 56.953 56.400 0.157 0.000 0.770 150 E CB -1.807 27.976 29.700 0.139 0.000 1.082 150 E HN 0.660 nan 8.360 nan 0.000 0.357 151 A N 3.709 126.622 122.820 0.156 0.000 2.445 151 A HA 0.208 4.527 4.320 -0.000 0.000 0.242 151 A C 0.581 178.249 177.584 0.141 0.000 1.075 151 A CA -0.179 51.960 52.037 0.169 0.000 0.777 151 A CB 0.452 19.554 19.000 0.169 0.000 1.013 151 A HN 0.431 nan 8.150 nan 0.000 0.493 152 K N 3.194 123.698 120.400 0.173 0.000 2.333 152 K HA 0.238 4.558 4.320 -0.000 0.000 0.241 152 K C 0.436 177.094 176.600 0.096 0.000 1.193 152 K CA -0.054 56.308 56.287 0.125 0.000 1.142 152 K CB -0.028 32.566 32.500 0.156 0.000 1.731 152 K HN 0.677 nan 8.250 nan 0.000 0.344 153 I N 1.276 121.895 120.570 0.081 0.000 2.151 153 I HA -0.396 3.774 4.170 -0.000 0.000 0.243 153 I C 2.347 178.441 176.117 -0.037 0.000 1.080 153 I CA 1.398 62.728 61.300 0.050 0.000 1.339 153 I CB -0.425 37.590 38.000 0.025 0.000 1.039 153 I HN 0.493 nan 8.210 nan 0.000 0.409 154 E N 1.990 122.168 120.200 -0.036 0.000 2.031 154 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 154 E C 1.820 178.362 176.600 -0.095 0.000 0.994 154 E CA 1.595 57.959 56.400 -0.060 0.000 0.800 154 E CB -0.717 28.963 29.700 -0.034 0.000 0.752 154 E HN 0.642 nan 8.360 nan 0.000 0.447 155 E N 0.258 120.404 120.200 -0.089 0.000 2.150 155 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 155 E C 2.191 178.545 176.600 -0.411 0.000 0.985 155 E CA 0.886 57.208 56.400 -0.130 0.000 0.814 155 E CB -0.387 29.323 29.700 0.016 0.000 0.752 155 E HN 0.527 nan 8.360 nan 0.000 0.466 156 H N 0.522 119.136 119.070 -0.759 0.000 2.267 156 H HA -0.171 4.385 4.556 -0.000 0.000 0.297 156 H C 1.977 176.963 175.328 -0.569 0.000 1.080 156 H CA 1.069 56.431 56.048 -1.143 0.000 1.278 156 H CB 0.194 29.590 29.762 -0.610 0.000 1.365 156 H HN 0.028 nan 8.280 nan 0.000 0.489 157 L N 0.999 122.052 121.223 -0.282 0.000 2.042 157 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 157 L C 2.953 179.722 176.870 -0.168 0.000 1.076 157 L CA 1.782 56.475 54.840 -0.245 0.000 0.749 157 L CB -1.449 40.492 42.059 -0.196 0.000 0.893 157 L HN 0.454 nan 8.230 nan 0.000 0.432 158 A N -0.580 122.149 122.820 -0.151 0.000 1.883 158 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 158 A C 2.508 180.039 177.584 -0.089 0.000 1.186 158 A CA 1.969 53.945 52.037 -0.101 0.000 0.624 158 A CB -0.507 18.447 19.000 -0.078 0.000 0.822 158 A HN 0.322 nan 8.150 nan 0.000 0.444 159 R N -0.060 120.367 120.500 -0.121 0.000 2.073 159 R HA -0.015 4.325 4.340 -0.000 0.000 0.234 159 R C 1.937 178.210 176.300 -0.045 0.000 1.134 159 R CA 1.644 57.711 56.100 -0.055 0.000 0.952 159 R CB -0.959 29.331 30.300 -0.017 0.000 0.850 159 R HN 0.514 nan 8.270 nan 0.000 0.433 160 L N 0.454 121.634 121.223 -0.072 0.000 1.971 160 L HA -0.231 4.109 4.340 -0.000 0.000 0.215 160 L C 2.653 179.481 176.870 -0.070 0.000 1.072 160 L CA 2.012 56.817 54.840 -0.058 0.000 0.758 160 L CB -0.671 41.340 42.059 -0.080 0.000 0.889 160 L HN 0.360 nan 8.230 nan 0.000 0.433 161 E N 0.018 120.173 120.200 -0.075 0.000 2.070 161 E HA -0.287 4.063 4.350 -0.000 0.000 0.197 161 E C 2.152 178.724 176.600 -0.047 0.000 1.004 161 E CA 1.644 58.006 56.400 -0.063 0.000 0.805 161 E CB -0.019 29.642 29.700 -0.064 0.000 0.744 161 E HN 0.500 nan 8.360 nan 0.000 0.451 162 A N 0.415 123.213 122.820 -0.037 0.000 1.898 162 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 162 A C 2.491 180.069 177.584 -0.011 0.000 1.181 162 A CA 1.447 53.476 52.037 -0.014 0.000 0.620 162 A CB -0.559 18.442 19.000 0.002 0.000 0.819 162 A HN 0.181 nan 8.150 nan 0.000 0.442 163 V N -0.095 119.800 119.914 -0.032 0.000 2.307 163 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 163 V C 2.735 178.752 176.094 -0.129 0.000 1.045 163 V CA 2.395 64.643 62.300 -0.086 0.000 1.024 163 V CB -1.450 30.262 31.823 -0.186 0.000 0.651 163 V HN 0.615 nan 8.190 nan 0.000 0.449 164 T N -0.004 114.483 114.554 -0.112 0.000 2.624 164 T HA -0.345 4.004 4.350 -0.000 0.000 0.268 164 T C 1.892 176.556 174.700 -0.060 0.000 1.041 164 T CA 2.236 64.280 62.100 -0.094 0.000 1.159 164 T CB -0.279 68.546 68.868 -0.071 0.000 0.863 164 T HN 0.469 nan 8.240 nan 0.000 0.434 165 K N 0.969 121.345 120.400 -0.041 0.000 1.991 165 K HA -0.200 4.120 4.320 -0.000 0.000 0.212 165 K C 2.456 179.053 176.600 -0.005 0.000 1.049 165 K CA 1.924 58.199 56.287 -0.020 0.000 0.932 165 K CB -0.220 32.272 32.500 -0.013 0.000 0.717 165 K HN 0.439 nan 8.250 nan 0.000 0.441 166 E N 0.450 120.655 120.200 0.008 0.000 2.130 166 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 166 E C 1.961 178.589 176.600 0.048 0.000 0.998 166 E CA 1.700 58.126 56.400 0.043 0.000 0.806 166 E CB -0.123 29.629 29.700 0.085 0.000 0.738 166 E HN 0.414 nan 8.360 nan 0.000 0.459 167 I N 1.374 121.951 120.570 0.012 0.000 2.142 167 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 167 I C 2.505 178.629 176.117 0.013 0.000 1.078 167 I CA 1.796 63.103 61.300 0.013 0.000 1.343 167 I CB -0.616 37.346 38.000 -0.063 0.000 1.046 167 I HN 0.243 nan 8.210 nan 0.000 0.405 168 E N 0.679 120.876 120.200 -0.005 0.000 2.265 168 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 168 E C 1.705 178.309 176.600 0.008 0.000 0.996 168 E CA 1.711 58.110 56.400 -0.002 0.000 0.832 168 E CB -0.476 29.217 29.700 -0.012 0.000 0.756 168 E HN 0.499 nan 8.360 nan 0.000 0.491 169 T N 0.227 114.790 114.554 0.015 0.000 2.939 169 T HA -0.031 4.319 4.350 -0.000 0.000 0.254 169 T C 1.926 176.642 174.700 0.027 0.000 1.041 169 T CA 1.370 63.481 62.100 0.019 0.000 1.142 169 T CB -0.095 68.785 68.868 0.020 0.000 0.874 169 T HN 0.260 nan 8.240 nan 0.000 0.452 170 T N -0.612 113.965 114.554 0.039 0.000 3.042 170 T HA 0.534 4.884 4.350 -0.000 0.000 0.245 170 T C 1.761 176.488 174.700 0.045 0.000 1.029 170 T CA 0.549 62.676 62.100 0.045 0.000 1.120 170 T CB 0.146 69.050 68.868 0.059 0.000 0.917 170 T HN 0.577 nan 8.240 nan 0.000 0.467 171 G N 0.899 109.729 108.800 0.050 0.000 2.992 171 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.229 171 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.229 171 G C 0.413 175.360 174.900 0.078 0.000 1.969 171 G CA 0.108 45.236 45.100 0.047 0.000 1.603 171 G HN 0.664 nan 8.290 nan 0.000 0.573 172 T N 0.656 115.261 114.554 0.086 0.000 2.771 172 T HA 0.628 4.978 4.350 -0.000 0.000 0.290 172 T C -0.108 174.725 174.700 0.222 0.000 1.005 172 T CA 0.838 63.016 62.100 0.129 0.000 0.944 172 T CB 0.666 69.558 68.868 0.041 0.000 1.147 172 T HN 1.570 nan 8.240 nan 0.000 0.534 173 Y N -0.850 119.456 120.300 0.010 0.000 2.625 173 Y HA 0.701 5.251 4.550 -0.000 0.000 0.338 173 Y C -1.156 174.767 175.900 0.038 0.000 1.123 173 Y CA -1.348 56.770 58.100 0.029 0.000 1.046 173 Y CB 0.980 39.468 38.460 0.047 0.000 1.299 173 Y HN 0.358 nan 8.280 nan 0.000 0.464 174 Q N 2.402 122.217 119.800 0.026 0.000 2.282 174 Q HA 0.493 4.833 4.340 -0.000 0.000 0.260 174 Q C -1.199 174.802 176.000 0.001 0.000 0.964 174 Q CA -0.811 54.961 55.803 -0.053 0.000 0.880 174 Q CB 2.831 31.582 28.738 0.022 0.000 1.286 174 Q HN 0.868 nan 8.270 nan 0.000 0.445 175 L N 1.369 122.576 121.223 -0.028 0.000 2.350 175 L HA 0.296 4.636 4.340 -0.000 0.000 0.275 175 L C 0.909 177.829 176.870 0.083 0.000 1.099 175 L CA -0.400 54.485 54.840 0.076 0.000 0.808 175 L CB 1.054 43.172 42.059 0.099 0.000 1.149 175 L HN 0.656 nan 8.230 nan 0.000 0.442 176 T N -0.058 114.544 114.554 0.080 0.000 2.926 176 T HA 0.069 4.419 4.350 -0.000 0.000 0.307 176 T C 1.141 175.890 174.700 0.082 0.000 1.059 176 T CA -0.460 61.672 62.100 0.054 0.000 1.122 176 T CB 0.680 69.551 68.868 0.006 0.000 0.972 176 T HN 0.581 nan 8.240 nan 0.000 0.545 177 L N 1.364 122.628 121.223 0.068 0.000 2.021 177 L HA -0.125 4.215 4.340 -0.000 0.000 0.215 177 L C 2.381 179.323 176.870 0.120 0.000 1.074 177 L CA 2.250 57.133 54.840 0.072 0.000 0.760 177 L CB -0.692 41.397 42.059 0.050 0.000 0.889 177 L HN 0.890 nan 8.230 nan 0.000 0.433 178 D N -0.524 119.963 120.400 0.144 0.000 2.221 178 D HA -0.210 4.430 4.640 -0.000 0.000 0.204 178 D C 1.997 178.540 176.300 0.406 0.000 0.982 178 D CA 1.211 55.343 54.000 0.219 0.000 0.857 178 D CB 0.094 41.020 40.800 0.210 0.000 0.934 178 D HN 0.582 nan 8.370 nan 0.000 0.475 179 E N -0.195 120.244 120.200 0.399 0.000 2.072 179 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 179 E C 2.297 179.215 176.600 0.531 0.000 0.982 179 E CA 0.153 56.899 56.400 0.576 0.000 0.803 179 E CB 0.018 29.877 29.700 0.265 0.000 0.755 179 E HN 0.285 nan 8.360 nan 0.000 0.453 180 L N 1.087 122.476 121.223 0.278 0.000 2.017 180 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 180 L C 2.409 179.363 176.870 0.141 0.000 1.073 180 L CA 1.141 56.058 54.840 0.129 0.000 0.745 180 L CB -0.232 41.824 42.059 -0.005 0.000 0.894 180 L HN 0.218 nan 8.230 nan 0.000 0.432 181 I N -0.766 119.900 120.570 0.160 0.000 2.113 181 I HA -0.429 3.741 4.170 -0.000 0.000 0.242 181 I C 2.434 178.671 176.117 0.199 0.000 1.064 181 I CA 1.985 63.368 61.300 0.138 0.000 1.320 181 I CB -0.398 37.684 38.000 0.137 0.000 1.028 181 I HN 0.251 nan 8.210 nan 0.000 0.406 182 F N 1.360 121.391 119.950 0.136 0.000 2.171 182 F HA -0.226 4.301 4.527 -0.000 0.000 0.300 182 F C 2.385 178.308 175.800 0.205 0.000 1.090 182 F CA 1.373 59.457 58.000 0.140 0.000 1.293 182 F CB -0.280 38.754 39.000 0.057 0.000 1.013 182 F HN 0.025 nan 8.300 nan 0.000 0.486 183 A N 0.164 123.202 122.820 0.363 0.000 1.845 183 A HA -0.227 4.093 4.320 -0.000 0.000 0.215 183 A C 2.303 179.865 177.584 -0.035 0.000 1.195 183 A CA 2.751 54.889 52.037 0.168 0.000 0.616 183 A CB -1.670 17.374 19.000 0.073 0.000 0.832 183 A HN 0.514 nan 8.150 nan 0.000 0.443 184 T N -1.463 113.081 114.554 -0.016 0.000 2.720 184 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 184 T C 1.798 176.562 174.700 0.107 0.000 1.037 184 T CA 1.751 63.859 62.100 0.013 0.000 1.144 184 T CB -0.379 68.505 68.868 0.027 0.000 0.864 184 T HN 0.523 nan 8.240 nan 0.000 0.444 185 K N 0.070 120.533 120.400 0.106 0.000 2.097 185 K HA 0.080 4.400 4.320 -0.000 0.000 0.205 185 K C 2.449 179.138 176.600 0.148 0.000 1.050 185 K CA 1.188 57.609 56.287 0.223 0.000 0.938 185 K CB -0.187 32.428 32.500 0.191 0.000 0.718 185 K HN 0.262 nan 8.250 nan 0.000 0.442 186 M N 0.081 119.612 119.600 -0.115 0.000 2.193 186 M HA -0.003 4.477 4.480 -0.000 0.000 0.265 186 M C 2.387 178.592 176.300 -0.157 0.000 1.071 186 M CA 1.197 56.357 55.300 -0.233 0.000 1.140 186 M CB -0.965 31.414 32.600 -0.368 0.000 1.369 186 M HN 0.123 nan 8.290 nan 0.000 0.423 187 A N -0.517 122.179 122.820 -0.206 0.000 1.940 187 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 187 A C 2.028 179.485 177.584 -0.212 0.000 1.176 187 A CA 1.566 53.327 52.037 -0.460 0.000 0.631 187 A CB -1.107 17.243 19.000 -1.083 0.000 0.814 187 A HN 0.668 nan 8.150 nan 0.000 0.446 188 W N 0.777 122.051 121.300 -0.044 0.000 2.378 188 W HA -0.092 4.568 4.660 -0.000 0.000 0.313 188 W C 2.274 178.759 176.519 -0.058 0.000 1.197 188 W CA 1.446 58.822 57.345 0.051 0.000 1.304 188 W CB -0.809 28.660 29.460 0.015 0.000 1.148 188 W HN 0.340 nan 8.180 nan 0.000 0.494 189 R N 0.389 120.877 120.500 -0.020 0.000 2.211 189 R HA -0.191 4.149 4.340 -0.000 0.000 0.240 189 R C 1.017 177.216 176.300 -0.169 0.000 1.144 189 R CA 1.724 57.668 56.100 -0.259 0.000 0.992 189 R CB -0.417 29.602 30.300 -0.468 0.000 0.869 189 R HN 0.099 nan 8.270 nan 0.000 0.462 190 N N -0.404 118.229 118.700 -0.111 0.000 2.230 190 N HA 0.090 4.830 4.740 -0.000 0.000 0.202 190 N C -0.862 174.580 175.510 -0.113 0.000 1.119 190 N CA 0.325 53.331 53.050 -0.074 0.000 0.851 190 N CB 1.305 39.800 38.487 0.013 0.000 0.990 190 N HN 0.117 nan 8.380 nan 0.000 0.497 191 A N 2.222 124.966 122.820 -0.126 0.000 2.527 191 A HA 0.279 4.599 4.320 -0.000 0.000 0.313 191 A C -1.078 176.462 177.584 -0.073 0.000 1.410 191 A CA -1.150 50.759 52.037 -0.213 0.000 1.060 191 A CB 0.436 19.380 19.000 -0.094 0.000 1.137 191 A HN -0.016 nan 8.150 nan 0.000 0.542 192 P HA -0.179 nan 4.420 nan 0.000 0.223 192 P C 0.698 177.990 177.300 -0.014 0.000 1.144 192 P CA 1.106 64.195 63.100 -0.020 0.000 0.783 192 P CB 0.192 31.880 31.700 -0.021 0.000 0.771 193 R N -1.404 119.061 120.500 -0.058 0.000 2.427 193 R HA 0.198 4.538 4.340 -0.000 0.000 0.262 193 R C 0.434 176.804 176.300 0.116 0.000 0.943 193 R CA -0.244 55.865 56.100 0.015 0.000 1.081 193 R CB -0.169 29.945 30.300 -0.309 0.000 1.166 193 R HN 0.169 nan 8.270 nan 0.000 0.534 194 C N 0.534 119.872 119.300 0.064 0.000 2.351 194 C HA 0.438 4.898 4.460 -0.000 0.000 0.326 194 C C 1.608 176.636 174.990 0.062 0.000 1.272 194 C CA -0.779 58.299 59.018 0.099 0.000 1.650 194 C CB 0.206 28.062 27.740 0.194 0.000 2.257 194 C HN 0.478 nan 8.230 nan 0.000 0.505 195 I N 4.030 124.604 120.570 0.007 0.000 3.228 195 I HA 0.166 4.336 4.170 -0.000 0.000 0.279 195 I C 2.237 178.474 176.117 0.199 0.000 1.221 195 I CA 0.996 62.281 61.300 -0.025 0.000 1.458 195 I CB -0.640 37.294 38.000 -0.110 0.000 1.105 195 I HN 0.886 nan 8.210 nan 0.000 0.445 196 G N 1.456 110.345 108.800 0.148 0.000 2.776 196 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.209 196 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.209 196 G C 1.504 176.421 174.900 0.028 0.000 1.145 196 G CA -0.217 44.956 45.100 0.121 0.000 0.791 196 G HN 0.328 nan 8.290 nan 0.000 0.530 197 R N -0.226 120.219 120.500 -0.091 0.000 2.417 197 R HA 0.003 4.343 4.340 -0.000 0.000 0.220 197 R C 1.928 177.591 176.300 -1.062 0.000 1.128 197 R CA 0.398 56.083 56.100 -0.693 0.000 1.048 197 R CB -0.341 29.687 30.300 -0.454 0.000 0.835 197 R HN 0.461 nan 8.270 nan 0.000 0.483 198 I N 0.660 120.820 120.570 -0.684 0.000 3.111 198 I HA -0.161 4.009 4.170 -0.000 0.000 0.272 198 I C 1.257 177.221 176.117 -0.254 0.000 1.268 198 I CA 0.942 61.985 61.300 -0.429 0.000 1.467 198 I CB 0.195 38.130 38.000 -0.108 0.000 1.087 198 I HN 0.159 nan 8.210 nan 0.000 0.467 199 Q N 0.593 120.173 119.800 -0.366 0.000 2.280 199 Q HA -0.048 4.292 4.340 -0.000 0.000 0.201 199 Q C 1.476 177.041 176.000 -0.725 0.000 0.890 199 Q CA 0.029 55.640 55.803 -0.320 0.000 0.947 199 Q CB -0.019 28.709 28.738 -0.017 0.000 1.081 199 Q HN 0.745 nan 8.270 nan 0.000 0.502 200 W N 0.954 121.544 121.300 -1.183 0.000 2.308 200 W HA -0.233 4.427 4.660 -0.000 0.000 0.301 200 W C 1.376 177.649 176.519 -0.410 0.000 1.220 200 W CA 1.606 58.166 57.345 -1.309 0.000 1.240 200 W CB -1.312 27.562 29.460 -0.976 0.000 1.142 200 W HN 0.169 nan 8.180 nan 0.000 0.521 201 S N 0.940 115.689 115.700 -1.586 0.000 2.522 201 S HA -0.061 4.409 4.470 -0.000 0.000 0.227 201 S C 0.378 174.689 174.600 -0.482 0.000 0.986 201 S CA 0.429 57.882 58.200 -1.246 0.000 0.929 201 S CB -1.063 61.242 63.200 -1.493 0.000 0.769 201 S HN 0.350 nan 8.310 nan 0.000 0.529 202 N N 1.558 120.089 118.700 -0.282 0.000 3.083 202 N HA 0.533 5.273 4.740 -0.000 0.000 0.260 202 N C -1.207 174.363 175.510 0.101 0.000 1.163 202 N CA -0.335 52.684 53.050 -0.053 0.000 1.060 202 N CB 0.952 39.445 38.487 0.009 0.000 1.345 202 N HN 0.302 nan 8.380 nan 0.000 0.515 203 L N 0.825 122.092 121.223 0.073 0.000 2.388 203 L HA 0.514 4.854 4.340 -0.000 0.000 0.264 203 L C -1.215 175.651 176.870 -0.005 0.000 0.998 203 L CA -0.816 54.075 54.840 0.085 0.000 0.817 203 L CB 2.124 44.278 42.059 0.160 0.000 1.338 203 L HN 0.141 nan 8.230 nan 0.000 0.414 204 Q N 2.404 122.155 119.800 -0.081 0.000 2.307 204 Q HA 0.669 5.009 4.340 -0.000 0.000 0.262 204 Q C -1.799 173.957 176.000 -0.407 0.000 0.961 204 Q CA -0.447 55.207 55.803 -0.248 0.000 0.882 204 Q CB 1.788 30.302 28.738 -0.373 0.000 1.264 204 Q HN 0.515 nan 8.270 nan 0.000 0.446 205 V N 5.029 124.750 119.914 -0.323 0.000 2.417 205 V HA 0.493 4.613 4.120 -0.000 0.000 0.291 205 V C -0.844 175.156 176.094 -0.157 0.000 1.024 205 V CA -0.675 61.470 62.300 -0.259 0.000 0.861 205 V CB 0.859 32.619 31.823 -0.104 0.000 0.985 205 V HN 0.630 nan 8.190 nan 0.000 0.436 206 F N 2.459 122.300 119.950 -0.182 0.000 2.361 206 F HA 0.375 4.902 4.527 -0.000 0.000 0.364 206 F C 0.531 176.186 175.800 -0.240 0.000 1.117 206 F CA -1.685 56.198 58.000 -0.196 0.000 1.071 206 F CB 1.081 39.962 39.000 -0.200 0.000 1.188 206 F HN 0.475 nan 8.300 nan 0.000 0.464 207 D N 3.354 123.758 120.400 0.007 0.000 2.383 207 D HA 0.313 4.953 4.640 -0.000 0.000 0.245 207 D C 0.357 176.526 176.300 -0.219 0.000 1.263 207 D CA 0.291 54.225 54.000 -0.111 0.000 0.936 207 D CB 0.836 41.604 40.800 -0.054 0.000 1.053 207 D HN 0.599 nan 8.370 nan 0.000 0.507 208 A N 4.499 127.052 122.820 -0.444 0.000 2.574 208 A HA 0.145 4.465 4.320 -0.000 0.000 0.283 208 A C 1.767 179.019 177.584 -0.552 0.000 1.270 208 A CA -0.373 51.195 52.037 -0.782 0.000 0.945 208 A CB 0.120 18.135 19.000 -1.642 0.000 1.127 208 A HN 0.480 nan 8.150 nan 0.000 0.522 209 R N 0.757 121.076 120.500 -0.302 0.000 2.193 209 R HA -0.140 4.200 4.340 -0.000 0.000 0.229 209 R C 0.992 177.192 176.300 -0.168 0.000 1.110 209 R CA 1.553 57.541 56.100 -0.186 0.000 0.988 209 R CB -0.111 30.153 30.300 -0.061 0.000 0.871 209 R HN 0.739 nan 8.270 nan 0.000 0.458 210 N N -0.533 118.085 118.700 -0.136 0.000 2.322 210 N HA -0.037 4.703 4.740 -0.000 0.000 0.194 210 N C 0.349 175.836 175.510 -0.037 0.000 1.126 210 N CA -0.166 52.845 53.050 -0.064 0.000 0.845 210 N CB -0.281 38.190 38.487 -0.026 0.000 0.976 210 N HN 0.043 nan 8.380 nan 0.000 0.475 211 C N 0.542 119.779 119.300 -0.105 0.000 2.705 211 C HA 0.461 4.921 4.460 -0.000 0.000 0.382 211 C C 1.556 176.650 174.990 0.173 0.000 1.322 211 C CA 0.539 59.574 59.018 0.029 0.000 2.290 211 C CB 0.155 27.863 27.740 -0.055 0.000 2.650 211 C HN 0.685 nan 8.230 nan 0.000 0.695 212 S N 0.059 115.963 115.700 0.340 0.000 2.648 212 S HA 0.196 4.666 4.470 -0.000 0.000 0.270 212 S C -0.063 174.721 174.600 0.307 0.000 1.034 212 S CA 0.329 58.774 58.200 0.409 0.000 1.376 212 S CB -0.300 63.032 63.200 0.220 0.000 1.227 212 S HN 1.051 nan 8.310 nan 0.000 0.676 213 T N -0.687 114.043 114.554 0.293 0.000 2.906 213 T HA 0.866 5.216 4.350 -0.000 0.000 0.295 213 T C 1.175 176.026 174.700 0.251 0.000 1.075 213 T CA -0.261 61.956 62.100 0.194 0.000 1.005 213 T CB 1.516 70.473 68.868 0.149 0.000 1.136 213 T HN 0.240 nan 8.240 nan 0.000 0.498 214 A N 0.657 123.603 122.820 0.209 0.000 1.877 214 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 214 A C 2.290 180.096 177.584 0.370 0.000 1.186 214 A CA 2.027 54.255 52.037 0.318 0.000 0.620 214 A CB -1.145 18.047 19.000 0.321 0.000 0.822 214 A HN 0.874 nan 8.150 nan 0.000 0.443 215 Q N -0.217 119.744 119.800 0.268 0.000 2.152 215 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 215 Q C 1.893 177.915 176.000 0.038 0.000 0.985 215 Q CA 2.234 58.020 55.803 -0.028 0.000 0.863 215 Q CB -0.266 28.500 28.738 0.047 0.000 0.904 215 Q HN 0.774 nan 8.270 nan 0.000 0.422 216 E N -1.148 119.149 120.200 0.161 0.000 2.152 216 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 216 E C 1.808 178.661 176.600 0.421 0.000 0.983 216 E CA 0.818 57.347 56.400 0.215 0.000 0.818 216 E CB 0.023 29.872 29.700 0.248 0.000 0.758 216 E HN 0.447 nan 8.360 nan 0.000 0.467 217 M N -0.104 119.788 119.600 0.487 0.000 2.064 217 M HA -0.155 4.325 4.480 -0.000 0.000 0.260 217 M C 2.173 178.804 176.300 0.553 0.000 1.073 217 M CA 1.097 56.811 55.300 0.690 0.000 1.124 217 M CB -0.478 32.380 32.600 0.429 0.000 1.326 217 M HN 0.198 nan 8.290 nan 0.000 0.410 218 F N 1.846 121.874 119.950 0.130 0.000 2.085 218 F HA -0.336 4.191 4.527 -0.000 0.000 0.299 218 F C 2.229 178.031 175.800 0.004 0.000 1.096 218 F CA 2.026 60.010 58.000 -0.028 0.000 1.227 218 F CB -0.954 37.751 39.000 -0.491 0.000 0.983 218 F HN 0.252 nan 8.300 nan 0.000 0.482 219 Q N -1.264 118.512 119.800 -0.040 0.000 2.016 219 Q HA -0.215 4.125 4.340 -0.000 0.000 0.200 219 Q C 2.065 178.012 176.000 -0.087 0.000 0.978 219 Q CA 2.037 57.708 55.803 -0.220 0.000 0.833 219 Q CB -0.470 28.111 28.738 -0.262 0.000 0.895 219 Q HN 0.560 nan 8.270 nan 0.000 0.427 220 H N 0.110 119.200 119.070 0.034 0.000 2.352 220 H HA -0.127 4.429 4.556 -0.000 0.000 0.299 220 H C 1.914 177.331 175.328 0.149 0.000 1.097 220 H CA 1.612 57.670 56.048 0.016 0.000 1.311 220 H CB -0.030 29.702 29.762 -0.051 0.000 1.377 220 H HN 0.183 nan 8.280 nan 0.000 0.504 221 I N -0.358 120.460 120.570 0.413 0.000 2.179 221 I HA -0.349 3.821 4.170 -0.000 0.000 0.242 221 I C 2.144 178.443 176.117 0.302 0.000 1.088 221 I CA 1.030 62.572 61.300 0.404 0.000 1.357 221 I CB -0.288 37.956 38.000 0.406 0.000 1.051 221 I HN 0.422 nan 8.210 nan 0.000 0.409 222 C N 0.242 119.649 119.300 0.179 0.000 2.413 222 C HA -0.181 4.279 4.460 -0.000 0.000 0.276 222 C C 2.956 177.997 174.990 0.084 0.000 1.248 222 C CA 1.035 60.100 59.018 0.079 0.000 1.742 222 C CB -1.294 26.386 27.740 -0.100 0.000 2.017 222 C HN 0.494 nan 8.230 nan 0.000 0.481 223 R N 0.106 120.635 120.500 0.049 0.000 2.105 223 R HA -0.194 4.146 4.340 -0.000 0.000 0.239 223 R C 2.307 178.741 176.300 0.223 0.000 1.135 223 R CA 1.851 57.964 56.100 0.021 0.000 0.967 223 R CB -0.750 29.454 30.300 -0.160 0.000 0.861 223 R HN 0.757 nan 8.270 nan 0.000 0.442 224 H N 0.188 119.393 119.070 0.226 0.000 2.256 224 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 224 H C 2.174 177.694 175.328 0.319 0.000 1.071 224 H CA 2.098 58.396 56.048 0.416 0.000 1.280 224 H CB -0.060 29.911 29.762 0.349 0.000 1.370 224 H HN 0.213 nan 8.280 nan 0.000 0.490 225 I N 0.605 121.268 120.570 0.154 0.000 2.145 225 I HA -0.331 3.839 4.170 -0.000 0.000 0.244 225 I C 2.826 178.973 176.117 0.050 0.000 1.075 225 I CA 1.143 62.458 61.300 0.025 0.000 1.332 225 I CB -0.336 37.700 38.000 0.059 0.000 1.033 225 I HN 0.277 nan 8.210 nan 0.000 0.410 226 L N 0.194 121.475 121.223 0.097 0.000 1.989 226 L HA -0.295 4.044 4.340 -0.000 0.000 0.211 226 L C 2.599 179.530 176.870 0.102 0.000 1.071 226 L CA 1.927 56.815 54.840 0.079 0.000 0.749 226 L CB -0.802 41.300 42.059 0.071 0.000 0.890 226 L HN 0.242 nan 8.230 nan 0.000 0.431 227 Y N 0.084 120.444 120.300 0.101 0.000 2.097 227 Y HA -0.270 4.280 4.550 -0.000 0.000 0.282 227 Y C 2.355 178.305 175.900 0.083 0.000 1.152 227 Y CA 2.021 60.211 58.100 0.150 0.000 1.136 227 Y CB -0.722 37.963 38.460 0.375 0.000 0.975 227 Y HN 0.278 nan 8.280 nan 0.000 0.498 228 A N -0.255 122.609 122.820 0.073 0.000 1.865 228 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 228 A C 2.242 179.769 177.584 -0.095 0.000 1.191 228 A CA 2.672 54.670 52.037 -0.065 0.000 0.623 228 A CB -1.532 17.378 19.000 -0.150 0.000 0.826 228 A HN 0.546 nan 8.150 nan 0.000 0.444 229 T N -0.200 114.323 114.554 -0.051 0.000 2.635 229 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 229 T C 1.211 175.879 174.700 -0.053 0.000 1.040 229 T CA 1.706 63.793 62.100 -0.022 0.000 1.156 229 T CB -0.533 68.332 68.868 -0.005 0.000 0.863 229 T HN 0.681 nan 8.240 nan 0.000 0.430 230 N N 1.633 120.275 118.700 -0.095 0.000 2.710 230 N HA -0.266 4.474 4.740 -0.000 0.000 0.249 230 N C -0.096 175.374 175.510 -0.066 0.000 1.059 230 N CA 0.936 53.917 53.050 -0.114 0.000 0.720 230 N CB -2.199 36.177 38.487 -0.186 0.000 0.983 230 N HN 0.670 nan 8.380 nan 0.000 0.544 231 N N -1.536 117.138 118.700 -0.043 0.000 2.696 231 N HA -0.240 4.500 4.740 -0.000 0.000 0.256 231 N C 1.018 176.506 175.510 -0.037 0.000 1.031 231 N CA 1.236 54.265 53.050 -0.035 0.000 0.730 231 N CB -1.225 37.242 38.487 -0.034 0.000 0.894 231 N HN 1.026 nan 8.380 nan 0.000 0.544 232 G N 0.915 109.699 108.800 -0.027 0.000 2.454 232 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.225 232 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.225 232 G C 0.074 174.963 174.900 -0.018 0.000 1.138 232 G CA 0.326 45.414 45.100 -0.021 0.000 0.667 232 G HN 0.620 nan 8.290 nan 0.000 0.512 233 N N 2.148 120.821 118.700 -0.044 0.000 3.103 233 N HA 0.241 4.981 4.740 -0.000 0.000 0.305 233 N C 0.628 176.109 175.510 -0.049 0.000 1.232 233 N CA -0.530 52.481 53.050 -0.064 0.000 1.190 233 N CB -0.321 38.123 38.487 -0.072 0.000 1.461 233 N HN 0.309 nan 8.380 nan 0.000 0.538 234 I N 2.126 122.699 120.570 0.005 0.000 2.989 234 I HA -0.157 4.013 4.170 -0.000 0.000 0.311 234 I C 0.851 177.056 176.117 0.148 0.000 1.221 234 I CA 1.161 62.517 61.300 0.093 0.000 1.449 234 I CB -0.165 37.978 38.000 0.239 0.000 1.325 234 I HN 0.342 nan 8.210 nan 0.000 0.557 235 R N 3.944 124.493 120.500 0.083 0.000 2.534 235 R HA 0.368 4.708 4.340 -0.000 0.000 0.301 235 R C -0.365 176.025 176.300 0.151 0.000 0.961 235 R CA -0.638 55.529 56.100 0.111 0.000 0.871 235 R CB 1.858 32.071 30.300 -0.144 0.000 1.170 235 R HN 0.542 nan 8.270 nan 0.000 0.446 236 S N 1.554 117.352 115.700 0.163 0.000 2.531 236 S HA 0.497 4.967 4.470 -0.000 0.000 0.279 236 S C -0.420 174.197 174.600 0.030 0.000 1.305 236 S CA -0.194 57.998 58.200 -0.013 0.000 1.058 236 S CB 1.167 64.282 63.200 -0.143 0.000 0.899 236 S HN 0.688 nan 8.310 nan 0.000 0.493 237 A N 3.211 126.028 122.820 -0.005 0.000 2.612 237 A HA 0.817 5.137 4.320 -0.000 0.000 0.293 237 A C -1.355 176.284 177.584 0.092 0.000 1.075 237 A CA -0.658 51.369 52.037 -0.017 0.000 0.680 237 A CB 1.184 20.182 19.000 -0.004 0.000 1.279 237 A HN 0.794 nan 8.150 nan 0.000 0.411 238 I N 0.632 121.112 120.570 -0.150 0.000 2.656 238 I HA 0.634 4.804 4.170 -0.000 0.000 0.292 238 I C -0.778 175.118 176.117 -0.368 0.000 1.144 238 I CA -0.119 61.073 61.300 -0.181 0.000 1.038 238 I CB 2.303 40.245 38.000 -0.097 0.000 1.244 238 I HN 0.705 nan 8.210 nan 0.000 0.420 239 T N 6.847 121.140 114.554 -0.434 0.000 2.788 239 T HA 0.494 4.844 4.350 -0.000 0.000 0.296 239 T C -0.849 173.760 174.700 -0.152 0.000 1.009 239 T CA -0.371 61.566 62.100 -0.273 0.000 0.949 239 T CB 0.494 69.209 68.868 -0.255 0.000 0.946 239 T HN 0.301 nan 8.240 nan 0.000 0.453 240 V N 7.572 127.357 119.914 -0.215 0.000 2.368 240 V HA 0.406 4.526 4.120 -0.000 0.000 0.266 240 V C 0.079 176.013 176.094 -0.266 0.000 1.045 240 V CA -0.556 61.627 62.300 -0.194 0.000 0.899 240 V CB -0.415 31.201 31.823 -0.345 0.000 1.006 240 V HN 0.774 nan 8.190 nan 0.000 0.470 241 F N 5.774 125.652 119.950 -0.120 0.000 2.352 241 F HA 0.429 4.956 4.527 -0.000 0.000 0.304 241 F C -1.684 174.022 175.800 -0.156 0.000 1.215 241 F CA -2.145 55.738 58.000 -0.195 0.000 1.121 241 F CB 0.058 38.976 39.000 -0.137 0.000 1.329 241 F HN 0.301 nan 8.300 nan 0.000 0.528 242 P HA 0.001 nan 4.420 nan 0.000 0.266 242 P C -1.027 176.249 177.300 -0.040 0.000 1.195 242 P CA -0.062 62.867 63.100 -0.284 0.000 0.768 242 P CB 0.236 31.470 31.700 -0.776 0.000 0.838 243 Q N 2.865 122.616 119.800 -0.083 0.000 2.631 243 Q HA 0.178 4.518 4.340 -0.000 0.000 0.210 243 Q C 0.050 175.926 176.000 -0.206 0.000 1.094 243 Q CA -0.531 54.999 55.803 -0.455 0.000 1.055 243 Q CB 0.533 28.750 28.738 -0.870 0.000 1.261 243 Q HN 0.279 nan 8.270 nan 0.000 0.615 244 R N 0.189 120.535 120.500 -0.257 0.000 2.438 244 R HA 0.082 4.422 4.340 -0.000 0.000 0.287 244 R C 0.284 176.549 176.300 -0.059 0.000 1.077 244 R CA 0.609 56.658 56.100 -0.085 0.000 1.034 244 R CB 0.729 30.975 30.300 -0.089 0.000 0.993 244 R HN 0.920 nan 8.270 nan 0.000 0.459 245 S N 2.430 118.146 115.700 0.026 0.000 2.696 245 S HA -0.031 4.439 4.470 -0.000 0.000 0.172 245 S C 1.037 175.647 174.600 0.017 0.000 0.767 245 S CA 0.357 58.581 58.200 0.041 0.000 0.856 245 S CB -0.193 63.081 63.200 0.123 0.000 0.782 245 S HN 0.801 nan 8.310 nan 0.000 0.582 246 D N 0.290 120.696 120.400 0.010 0.000 2.414 246 D HA 0.274 4.914 4.640 -0.000 0.000 0.237 246 D C 1.508 177.781 176.300 -0.045 0.000 0.975 246 D CA 1.315 55.292 54.000 -0.039 0.000 0.917 246 D CB -0.378 40.361 40.800 -0.102 0.000 1.061 246 D HN 0.847 nan 8.370 nan 0.000 0.480 247 G N 0.381 109.154 108.800 -0.045 0.000 2.870 247 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 247 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 247 G C 0.806 175.688 174.900 -0.031 0.000 0.973 247 G CA 0.203 45.287 45.100 -0.027 0.000 0.807 247 G HN 0.381 nan 8.290 nan 0.000 0.573 248 K N 0.103 120.445 120.400 -0.097 0.000 2.438 248 K HA 0.275 4.595 4.320 -0.000 0.000 0.206 248 K C 0.233 176.843 176.600 0.016 0.000 1.081 248 K CA -0.246 55.987 56.287 -0.090 0.000 1.053 248 K CB 0.292 32.680 32.500 -0.187 0.000 0.908 248 K HN 0.240 nan 8.250 nan 0.000 0.556 249 H N 1.016 120.114 119.070 0.047 0.000 2.474 249 H HA 0.238 4.794 4.556 -0.000 0.000 0.250 249 H C -1.118 174.278 175.328 0.114 0.000 1.307 249 H CA -0.688 55.395 56.048 0.058 0.000 1.058 249 H CB 0.011 29.816 29.762 0.073 0.000 1.693 249 H HN 0.160 nan 8.280 nan 0.000 0.552 250 D N 0.425 120.947 120.400 0.203 0.000 2.193 250 D HA 0.144 4.784 4.640 -0.000 0.000 0.249 250 D C -0.062 176.337 176.300 0.166 0.000 1.034 250 D CA -0.395 53.742 54.000 0.228 0.000 0.902 250 D CB 1.687 42.580 40.800 0.156 0.000 1.182 250 D HN -0.011 nan 8.370 nan 0.000 0.436 251 F N 1.338 121.342 119.950 0.091 0.000 2.410 251 F HA 0.334 4.861 4.527 -0.000 0.000 0.349 251 F C 0.815 176.634 175.800 0.031 0.000 1.117 251 F CA -0.388 57.647 58.000 0.058 0.000 1.104 251 F CB 0.901 39.948 39.000 0.078 0.000 1.122 251 F HN -0.120 nan 8.300 nan 0.000 0.483 252 R N 3.869 124.453 120.500 0.140 0.000 2.564 252 R HA 0.478 4.817 4.340 -0.000 0.000 0.284 252 R C -1.722 174.713 176.300 0.226 0.000 1.031 252 R CA -1.079 55.117 56.100 0.160 0.000 0.904 252 R CB 2.120 32.524 30.300 0.173 0.000 1.199 252 R HN 0.466 nan 8.270 nan 0.000 0.443 253 L N 2.318 123.630 121.223 0.149 0.000 2.264 253 L HA 0.340 4.680 4.340 -0.000 0.000 0.289 253 L C 0.766 177.845 176.870 0.349 0.000 1.044 253 L CA -0.152 54.792 54.840 0.172 0.000 0.807 253 L CB 0.540 42.608 42.059 0.016 0.000 1.192 253 L HN 0.561 nan 8.230 nan 0.000 0.425 254 W N 0.798 122.159 121.300 0.102 0.000 2.800 254 W HA 0.029 4.689 4.660 -0.000 0.000 0.249 254 W C 0.586 177.296 176.519 0.318 0.000 1.294 254 W CA -0.528 57.008 57.345 0.319 0.000 1.402 254 W CB -1.108 28.583 29.460 0.385 0.000 1.126 254 W HN 0.510 nan 8.180 nan 0.000 0.652 255 N N -0.404 118.417 118.700 0.203 0.000 2.503 255 N HA 0.070 4.810 4.740 -0.000 0.000 0.267 255 N C 1.179 176.517 175.510 -0.287 0.000 1.214 255 N CA 0.464 53.297 53.050 -0.362 0.000 0.959 255 N CB 0.821 39.160 38.487 -0.246 0.000 1.142 255 N HN -0.271 nan 8.380 nan 0.000 0.455 256 S N 0.298 115.746 115.700 -0.419 0.000 2.343 256 S HA -0.155 4.315 4.470 -0.000 0.000 0.219 256 S C 0.520 174.990 174.600 -0.216 0.000 1.033 256 S CA 1.117 59.180 58.200 -0.228 0.000 1.014 256 S CB -0.383 62.701 63.200 -0.193 0.000 0.915 256 S HN 0.784 nan 8.310 nan 0.000 0.435 257 Q N -0.902 118.752 119.800 -0.243 0.000 2.495 257 Q HA 0.529 4.869 4.340 -0.000 0.000 0.287 257 Q C 0.044 175.894 176.000 -0.250 0.000 1.078 257 Q CA -0.963 54.698 55.803 -0.237 0.000 0.793 257 Q CB 0.746 29.373 28.738 -0.184 0.000 1.459 257 Q HN -0.076 nan 8.270 nan 0.000 0.422 258 L N 0.387 121.476 121.223 -0.223 0.000 1.963 258 L HA -0.056 4.284 4.340 -0.000 0.000 0.220 258 L C 0.804 177.508 176.870 -0.276 0.000 1.076 258 L CA 1.885 56.615 54.840 -0.182 0.000 0.772 258 L CB -0.524 41.469 42.059 -0.110 0.000 0.892 258 L HN 0.656 nan 8.230 nan 0.000 0.435 259 I N -1.365 118.937 120.570 -0.446 0.000 2.392 259 I HA 0.433 4.603 4.170 -0.000 0.000 0.295 259 I C -0.090 175.376 176.117 -1.085 0.000 0.985 259 I CA -0.223 60.641 61.300 -0.726 0.000 1.221 259 I CB 1.506 38.988 38.000 -0.864 0.000 1.366 259 I HN 0.060 nan 8.210 nan 0.000 0.467 260 R N 4.594 124.583 120.500 -0.851 0.000 2.647 260 R HA 0.382 4.722 4.340 -0.000 0.000 0.260 260 R C -1.791 174.284 176.300 -0.374 0.000 1.154 260 R CA -0.667 55.086 56.100 -0.578 0.000 1.029 260 R CB 0.674 30.789 30.300 -0.309 0.000 1.262 260 R HN 0.328 nan 8.270 nan 0.000 0.437 261 Y N 1.753 122.066 120.300 0.022 0.000 2.379 261 Y HA 0.487 5.037 4.550 -0.000 0.000 0.337 261 Y C 1.139 177.038 175.900 -0.002 0.000 1.238 261 Y CA 0.420 58.553 58.100 0.054 0.000 1.405 261 Y CB 0.673 39.218 38.460 0.142 0.000 1.310 261 Y HN 0.707 nan 8.280 nan 0.000 0.569 262 A N 0.831 123.732 122.820 0.135 0.000 2.271 262 A HA 0.758 5.078 4.320 -0.000 0.000 0.288 262 A C 0.276 177.666 177.584 -0.323 0.000 1.094 262 A CA 0.026 51.971 52.037 -0.154 0.000 0.828 262 A CB 0.182 19.038 19.000 -0.240 0.000 1.091 262 A HN 0.906 nan 8.150 nan 0.000 0.493 263 G N -0.259 108.246 108.800 -0.491 0.000 2.683 263 G HA2 0.579 4.539 3.960 -0.000 0.000 0.299 263 G HA3 0.579 4.539 3.960 -0.000 0.000 0.299 263 G C -1.450 173.181 174.900 -0.450 0.000 1.432 263 G CA -0.249 44.620 45.100 -0.386 0.000 0.978 263 G HN 0.513 nan 8.290 nan 0.000 0.513 264 Y N 0.388 120.712 120.300 0.040 0.000 2.376 264 Y HA 0.470 5.020 4.550 -0.000 0.000 0.340 264 Y C 0.442 176.393 175.900 0.086 0.000 0.965 264 Y CA -1.077 57.058 58.100 0.058 0.000 1.078 264 Y CB 2.335 40.830 38.460 0.059 0.000 1.193 264 Y HN 0.503 nan 8.280 nan 0.000 0.452 265 Q N 4.570 124.502 119.800 0.219 0.000 2.402 265 Q HA 0.302 4.642 4.340 -0.000 0.000 0.238 265 Q C -0.537 175.570 176.000 0.178 0.000 1.126 265 Q CA -0.211 55.686 55.803 0.157 0.000 0.904 265 Q CB 0.388 29.190 28.738 0.106 0.000 1.357 265 Q HN 0.716 nan 8.270 nan 0.000 0.491 266 M N 4.683 124.385 119.600 0.170 0.000 2.207 266 M HA 0.069 4.549 4.480 -0.000 0.000 0.311 266 M C -1.157 175.186 176.300 0.072 0.000 1.127 266 M CA -1.347 54.032 55.300 0.132 0.000 1.181 266 M CB 0.178 32.845 32.600 0.111 0.000 1.409 266 M HN 0.522 nan 8.290 nan 0.000 0.461 267 P HA -0.194 nan 4.420 nan 0.000 0.215 267 P C 0.287 177.595 177.300 0.012 0.000 1.153 267 P CA 1.611 64.716 63.100 0.009 0.000 0.853 267 P CB -0.360 31.323 31.700 -0.028 0.000 0.788 268 D N -1.199 119.208 120.400 0.012 0.000 2.332 268 D HA 0.043 4.683 4.640 -0.000 0.000 0.244 268 D C 1.377 177.692 176.300 0.024 0.000 1.136 268 D CA 0.703 54.712 54.000 0.014 0.000 0.884 268 D CB -0.743 40.063 40.800 0.010 0.000 0.906 268 D HN 0.307 nan 8.370 nan 0.000 0.520 269 G N 0.966 109.785 108.800 0.032 0.000 2.267 269 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.257 269 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.257 269 G C 0.775 175.701 174.900 0.044 0.000 0.998 269 G CA 0.856 45.978 45.100 0.036 0.000 0.620 269 G HN 0.691 nan 8.290 nan 0.000 0.529 270 T N -1.004 113.578 114.554 0.047 0.000 2.773 270 T HA 0.642 4.992 4.350 -0.000 0.000 0.337 270 T C 0.436 175.176 174.700 0.067 0.000 1.086 270 T CA 0.286 62.417 62.100 0.053 0.000 0.998 270 T CB 1.346 70.245 68.868 0.051 0.000 1.281 270 T HN 0.786 nan 8.240 nan 0.000 0.525 271 I N 0.370 120.979 120.570 0.066 0.000 2.571 271 I HA 0.371 4.541 4.170 -0.000 0.000 0.286 271 I C -0.114 176.043 176.117 0.068 0.000 1.134 271 I CA -0.744 60.599 61.300 0.072 0.000 1.052 271 I CB 2.021 40.044 38.000 0.038 0.000 1.237 271 I HN 0.536 nan 8.210 nan 0.000 0.435 272 R N 3.374 123.951 120.500 0.129 0.000 2.540 272 R HA 0.798 5.138 4.340 -0.000 0.000 0.287 272 R C 0.466 176.824 176.300 0.096 0.000 0.980 272 R CA 0.093 56.274 56.100 0.136 0.000 0.966 272 R CB 1.838 32.267 30.300 0.215 0.000 1.106 272 R HN 0.883 nan 8.270 nan 0.000 0.480 273 G N 1.675 110.474 108.800 -0.000 0.000 2.584 273 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.229 273 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.229 273 G C -1.037 173.524 174.900 -0.566 0.000 1.320 273 G CA -0.316 44.714 45.100 -0.117 0.000 0.891 273 G HN 0.615 nan 8.290 nan 0.000 0.573 274 D N 1.466 121.626 120.400 -0.400 0.000 2.374 274 D HA 0.547 5.187 4.640 -0.000 0.000 0.240 274 D C 1.492 177.673 176.300 -0.199 0.000 1.229 274 D CA 0.830 54.593 54.000 -0.394 0.000 0.895 274 D CB 0.657 41.542 40.800 0.141 0.000 1.046 274 D HN 0.978 nan 8.370 nan 0.000 0.498 275 A N 3.743 126.436 122.820 -0.213 0.000 2.178 275 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 275 A C 2.020 179.599 177.584 -0.008 0.000 1.157 275 A CA 1.518 53.506 52.037 -0.083 0.000 0.689 275 A CB -0.162 18.803 19.000 -0.058 0.000 0.787 275 A HN 0.602 nan 8.150 nan 0.000 0.465 276 A N -0.208 122.621 122.820 0.016 0.000 1.968 276 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 276 A C 1.946 179.571 177.584 0.068 0.000 1.169 276 A CA 1.743 53.821 52.037 0.068 0.000 0.638 276 A CB -0.911 18.143 19.000 0.090 0.000 0.812 276 A HN 0.754 nan 8.150 nan 0.000 0.446 277 T N -2.198 112.379 114.554 0.038 0.000 3.327 277 T HA 0.474 4.824 4.350 -0.000 0.000 0.241 277 T C 1.023 175.730 174.700 0.012 0.000 0.907 277 T CA -0.154 61.966 62.100 0.033 0.000 0.931 277 T CB -0.148 68.723 68.868 0.004 0.000 1.112 277 T HN 0.242 nan 8.240 nan 0.000 0.589 278 L N 0.049 121.285 121.223 0.020 0.000 2.049 278 L HA 0.122 4.462 4.340 -0.000 0.000 0.203 278 L C 2.888 179.761 176.870 0.005 0.000 1.074 278 L CA 1.309 56.148 54.840 -0.002 0.000 0.749 278 L CB -0.186 41.886 42.059 0.021 0.000 0.907 278 L HN 0.437 nan 8.230 nan 0.000 0.439 279 E N -0.206 120.019 120.200 0.041 0.000 2.031 279 E HA -0.313 4.037 4.350 -0.000 0.000 0.193 279 E C 2.146 178.683 176.600 -0.105 0.000 0.994 279 E CA 1.628 58.032 56.400 0.007 0.000 0.800 279 E CB -0.232 29.523 29.700 0.092 0.000 0.752 279 E HN 0.354 nan 8.360 nan 0.000 0.447 280 F N 1.292 121.086 119.950 -0.260 0.000 2.192 280 F HA -0.227 4.300 4.527 -0.000 0.000 0.301 280 F C 2.283 177.902 175.800 -0.302 0.000 1.079 280 F CA 1.901 59.659 58.000 -0.404 0.000 1.303 280 F CB -0.393 38.408 39.000 -0.331 0.000 1.024 280 F HN 0.027 nan 8.300 nan 0.000 0.494 281 T N -0.399 114.087 114.554 -0.112 0.000 2.701 281 T HA -0.272 4.078 4.350 -0.000 0.000 0.263 281 T C 1.754 176.353 174.700 -0.167 0.000 1.040 281 T CA 1.601 63.595 62.100 -0.176 0.000 1.147 281 T CB -0.394 68.376 68.868 -0.163 0.000 0.865 281 T HN 0.289 nan 8.240 nan 0.000 0.426 282 Q N 0.617 120.347 119.800 -0.116 0.000 2.173 282 Q HA -0.140 4.200 4.340 -0.000 0.000 0.208 282 Q C 2.036 177.949 176.000 -0.146 0.000 0.989 282 Q CA 1.418 57.176 55.803 -0.076 0.000 0.872 282 Q CB -0.754 27.951 28.738 -0.054 0.000 0.909 282 Q HN 0.402 nan 8.270 nan 0.000 0.420 283 L N -0.498 120.547 121.223 -0.297 0.000 1.994 283 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 283 L C 2.298 178.973 176.870 -0.325 0.000 1.071 283 L CA 1.928 56.552 54.840 -0.360 0.000 0.745 283 L CB -1.049 40.640 42.059 -0.617 0.000 0.892 283 L HN 0.453 nan 8.230 nan 0.000 0.431 284 C N -0.599 118.429 119.300 -0.454 0.000 2.413 284 C HA -0.185 4.275 4.460 -0.000 0.000 0.277 284 C C 2.719 177.714 174.990 0.009 0.000 1.265 284 C CA 0.425 59.247 59.018 -0.327 0.000 1.752 284 C CB -1.035 26.375 27.740 -0.550 0.000 1.998 284 C HN 0.530 nan 8.230 nan 0.000 0.489 285 I N 1.325 121.935 120.570 0.067 0.000 2.179 285 I HA -0.160 4.010 4.170 -0.000 0.000 0.242 285 I C 2.167 178.309 176.117 0.042 0.000 1.088 285 I CA 1.865 63.242 61.300 0.128 0.000 1.357 285 I CB -1.407 36.655 38.000 0.102 0.000 1.051 285 I HN 0.373 nan 8.210 nan 0.000 0.409 286 D N 0.676 121.063 120.400 -0.022 0.000 2.144 286 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 286 D C 1.822 178.102 176.300 -0.032 0.000 0.984 286 D CA 0.900 54.875 54.000 -0.042 0.000 0.834 286 D CB -0.133 40.616 40.800 -0.085 0.000 0.955 286 D HN 0.322 nan 8.370 nan 0.000 0.465 287 L N 0.181 121.383 121.223 -0.036 0.000 2.777 287 L HA 0.224 4.564 4.340 -0.000 0.000 0.244 287 L C 1.040 177.912 176.870 0.002 0.000 1.235 287 L CA -0.096 54.730 54.840 -0.024 0.000 1.062 287 L CB -0.684 41.325 42.059 -0.083 0.000 1.340 287 L HN 0.016 nan 8.230 nan 0.000 0.439 288 G N -0.304 108.511 108.800 0.025 0.000 2.273 288 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.280 288 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.280 288 G C -0.288 174.663 174.900 0.086 0.000 1.047 288 G CA -0.092 45.030 45.100 0.036 0.000 0.869 288 G HN 0.539 nan 8.290 nan 0.000 0.502 289 W N 0.841 122.097 121.300 -0.074 0.000 2.316 289 W HA 0.669 5.328 4.660 -0.000 0.000 0.321 289 W C 0.237 176.737 176.519 -0.032 0.000 1.203 289 W CA -1.444 55.862 57.345 -0.064 0.000 1.214 289 W CB 0.781 30.188 29.460 -0.088 0.000 1.169 289 W HN -0.019 nan 8.180 nan 0.000 0.561 290 K N 7.504 127.428 120.400 -0.793 0.000 2.278 290 K HA 0.147 4.467 4.320 -0.000 0.000 0.289 290 K C -2.294 173.590 176.600 -1.194 0.000 1.080 290 K CA -1.917 53.920 56.287 -0.749 0.000 0.934 290 K CB -0.157 32.039 32.500 -0.507 0.000 1.093 290 K HN 0.306 nan 8.250 nan 0.000 0.459 291 P HA 0.119 nan 4.420 nan 0.000 0.268 291 P C 0.249 177.194 177.300 -0.591 0.000 1.282 291 P CA -0.049 62.616 63.100 -0.724 0.000 0.880 291 P CB 0.370 31.711 31.700 -0.599 0.000 0.971 292 R N 2.700 122.894 120.500 -0.510 0.000 2.323 292 R HA -0.019 4.321 4.340 -0.000 0.000 0.198 292 R C 0.039 176.255 176.300 -0.140 0.000 0.988 292 R CA -0.142 55.835 56.100 -0.205 0.000 1.041 292 R CB -0.757 29.506 30.300 -0.062 0.000 0.926 292 R HN 0.362 nan 8.270 nan 0.000 0.476 293 Y N -1.188 118.753 120.300 -0.598 0.000 2.976 293 Y HA -0.304 4.246 4.550 -0.000 0.000 0.204 293 Y C 0.586 176.324 175.900 -0.271 0.000 1.257 293 Y CA 0.602 58.218 58.100 -0.807 0.000 0.856 293 Y CB -1.526 36.626 38.460 -0.513 0.000 1.222 293 Y HN 0.289 nan 8.280 nan 0.000 0.442 294 G N -0.222 108.650 108.800 0.120 0.000 3.176 294 G HA2 0.627 4.587 3.960 -0.000 0.000 0.272 294 G HA3 0.627 4.587 3.960 -0.000 0.000 0.272 294 G C 0.355 175.437 174.900 0.304 0.000 1.349 294 G CA -0.997 44.238 45.100 0.225 0.000 0.953 294 G HN 0.207 nan 8.290 nan 0.000 0.559 295 R N -1.463 119.150 120.500 0.188 0.000 2.223 295 R HA 0.222 4.562 4.340 -0.000 0.000 0.198 295 R C -0.199 175.891 176.300 -0.350 0.000 0.984 295 R CA 0.589 56.685 56.100 -0.007 0.000 1.018 295 R CB 0.234 30.501 30.300 -0.056 0.000 0.945 295 R HN 0.300 nan 8.270 nan 0.000 0.479 296 F N 1.118 121.092 119.950 0.040 0.000 2.564 296 F HA 0.259 4.786 4.527 -0.000 0.000 0.329 296 F C -0.898 175.014 175.800 0.187 0.000 1.458 296 F CA -1.064 56.780 58.000 -0.259 0.000 1.117 296 F CB 0.839 39.533 39.000 -0.509 0.000 1.383 296 F HN -0.280 nan 8.300 nan 0.000 0.571 297 D N 1.611 122.297 120.400 0.475 0.000 2.412 297 D HA 0.223 4.863 4.640 -0.000 0.000 0.224 297 D C 0.074 176.660 176.300 0.477 0.000 1.093 297 D CA -0.089 54.208 54.000 0.494 0.000 0.850 297 D CB 2.166 43.295 40.800 0.549 0.000 1.046 297 D HN -0.055 nan 8.370 nan 0.000 0.507 298 V N 3.769 123.915 119.914 0.387 0.000 2.458 298 V HA -0.052 4.068 4.120 -0.000 0.000 0.287 298 V C 1.141 177.276 176.094 0.068 0.000 1.009 298 V CA -0.084 62.291 62.300 0.126 0.000 1.091 298 V CB -0.159 31.692 31.823 0.047 0.000 0.960 298 V HN 0.366 nan 8.190 nan 0.000 0.476 299 L N 8.422 129.576 121.223 -0.116 0.000 2.473 299 L HA 0.266 4.606 4.340 -0.000 0.000 0.268 299 L C -1.668 175.005 176.870 -0.329 0.000 1.215 299 L CA -1.225 53.409 54.840 -0.343 0.000 0.823 299 L CB 0.517 42.420 42.059 -0.260 0.000 1.099 299 L HN 0.474 nan 8.230 nan 0.000 0.483 300 P HA 0.116 nan 4.420 nan 0.000 0.282 300 P C -0.922 176.233 177.300 -0.241 0.000 1.249 300 P CA -0.700 62.168 63.100 -0.386 0.000 0.806 300 P CB 1.263 32.573 31.700 -0.651 0.000 0.984 301 L N 3.549 124.665 121.223 -0.178 0.000 2.433 301 L HA 0.076 4.416 4.340 -0.000 0.000 0.275 301 L C 0.153 176.925 176.870 -0.164 0.000 1.128 301 L CA 0.103 54.871 54.840 -0.120 0.000 0.875 301 L CB 0.222 42.209 42.059 -0.121 0.000 1.171 301 L HN 0.129 nan 8.230 nan 0.000 0.463 302 V N 6.620 126.484 119.914 -0.083 0.000 2.288 302 V HA 0.305 4.425 4.120 -0.000 0.000 0.266 302 V C -0.001 175.959 176.094 -0.225 0.000 1.048 302 V CA -0.650 61.515 62.300 -0.225 0.000 0.842 302 V CB 0.956 32.686 31.823 -0.155 0.000 1.064 302 V HN 0.379 nan 8.190 nan 0.000 0.472 303 L N 4.973 126.024 121.223 -0.286 0.000 2.331 303 L HA 0.680 5.020 4.340 -0.000 0.000 0.275 303 L C -0.038 176.652 176.870 -0.302 0.000 1.022 303 L CA -0.315 54.418 54.840 -0.177 0.000 0.812 303 L CB 1.885 43.966 42.059 0.036 0.000 1.257 303 L HN 0.838 nan 8.230 nan 0.000 0.435 304 Q N 1.512 121.190 119.800 -0.204 0.000 2.274 304 Q HA 0.879 5.219 4.340 -0.000 0.000 0.268 304 Q C -1.372 174.480 176.000 -0.247 0.000 1.015 304 Q CA -0.704 54.956 55.803 -0.239 0.000 0.775 304 Q CB 1.900 30.506 28.738 -0.220 0.000 1.256 304 Q HN 0.660 nan 8.270 nan 0.000 0.442 305 A N 2.260 124.876 122.820 -0.340 0.000 2.248 305 A HA 0.507 4.827 4.320 -0.000 0.000 0.316 305 A C 0.324 177.439 177.584 -0.781 0.000 1.101 305 A CA 0.176 51.760 52.037 -0.754 0.000 0.875 305 A CB 0.316 19.073 19.000 -0.404 0.000 1.207 305 A HN 1.000 nan 8.150 nan 0.000 0.504 306 D N -0.637 119.053 120.400 -1.184 0.000 3.436 306 D HA -0.298 4.342 4.640 -0.000 0.000 0.497 306 D C 1.234 177.425 176.300 -0.182 0.000 0.593 306 D CA 3.487 57.198 54.000 -0.482 0.000 1.443 306 D CB -0.893 39.727 40.800 -0.299 0.000 0.420 306 D HN 1.011 nan 8.370 nan 0.000 0.305 307 G N -1.356 107.389 108.800 -0.091 0.000 3.193 307 G HA2 0.149 4.109 3.960 -0.000 0.000 0.183 307 G HA3 0.149 4.109 3.960 -0.000 0.000 0.183 307 G C -0.203 174.732 174.900 0.058 0.000 1.254 307 G CA -0.034 45.115 45.100 0.082 0.000 0.898 307 G HN 0.271 nan 8.290 nan 0.000 0.816 308 Q N 1.897 121.666 119.800 -0.052 0.000 2.386 308 Q HA 0.323 4.663 4.340 -0.000 0.000 0.282 308 Q C -0.211 175.727 176.000 -0.102 0.000 1.050 308 Q CA 0.108 55.864 55.803 -0.077 0.000 0.918 308 Q CB 0.540 29.214 28.738 -0.106 0.000 1.266 308 Q HN 0.229 nan 8.270 nan 0.000 0.423 309 D N 2.811 123.123 120.400 -0.148 0.000 2.383 309 D HA -0.024 4.616 4.640 -0.000 0.000 0.233 309 D C -2.166 173.870 176.300 -0.440 0.000 1.233 309 D CA -0.433 53.378 54.000 -0.315 0.000 0.881 309 D CB -0.090 40.415 40.800 -0.491 0.000 1.212 309 D HN 0.339 nan 8.370 nan 0.000 0.467 310 P HA 0.070 nan 4.420 nan 0.000 0.271 310 P C -0.859 176.091 177.300 -0.583 0.000 1.226 310 P CA 0.028 62.659 63.100 -0.782 0.000 0.765 310 P CB 0.557 31.454 31.700 -1.339 0.000 0.835 311 E N 1.854 121.715 120.200 -0.566 0.000 2.134 311 E HA 0.265 4.615 4.350 -0.000 0.000 0.278 311 E C -0.343 175.649 176.600 -1.013 0.000 0.959 311 E CA -1.010 54.966 56.400 -0.707 0.000 0.783 311 E CB 1.344 30.636 29.700 -0.680 0.000 1.095 311 E HN 0.242 nan 8.360 nan 0.000 0.399 312 V N 4.700 124.135 119.914 -0.798 0.000 2.439 312 V HA 0.141 4.261 4.120 -0.000 0.000 0.271 312 V C -0.497 175.158 176.094 -0.732 0.000 1.040 312 V CA 0.030 61.950 62.300 -0.633 0.000 1.002 312 V CB -0.539 31.091 31.823 -0.321 0.000 1.000 312 V HN 0.476 nan 8.190 nan 0.000 0.477 313 F N 2.520 122.266 119.950 -0.339 0.000 2.499 313 F HA 0.434 4.961 4.527 -0.000 0.000 0.333 313 F C 0.299 175.846 175.800 -0.423 0.000 1.138 313 F CA -1.163 56.525 58.000 -0.521 0.000 0.945 313 F CB 1.517 39.749 39.000 -1.280 0.000 1.181 313 F HN 0.519 nan 8.300 nan 0.000 0.435 314 E N 3.719 123.951 120.200 0.054 0.000 2.338 314 E HA 0.375 4.725 4.350 -0.000 0.000 0.272 314 E C -0.439 176.273 176.600 0.186 0.000 1.029 314 E CA -0.393 56.089 56.400 0.138 0.000 0.872 314 E CB 0.838 30.699 29.700 0.267 0.000 1.015 314 E HN 0.537 nan 8.360 nan 0.000 0.417 315 I N 5.718 126.385 120.570 0.161 0.000 2.529 315 I HA 0.136 4.306 4.170 -0.000 0.000 0.284 315 I C -1.955 174.284 176.117 0.204 0.000 1.082 315 I CA -2.088 59.344 61.300 0.220 0.000 1.406 315 I CB 0.659 38.730 38.000 0.119 0.000 1.405 315 I HN 0.401 nan 8.210 nan 0.000 0.548 316 P HA 0.128 nan 4.420 nan 0.000 0.269 316 P C -2.064 175.292 177.300 0.094 0.000 1.252 316 P CA -1.018 62.159 63.100 0.128 0.000 0.780 316 P CB 0.291 32.040 31.700 0.082 0.000 0.829 317 P HA -0.215 nan 4.420 nan 0.000 0.218 317 P C 0.794 178.125 177.300 0.053 0.000 1.146 317 P CA 1.413 64.559 63.100 0.076 0.000 0.820 317 P CB -0.005 31.743 31.700 0.080 0.000 0.778 318 D N -1.166 119.259 120.400 0.043 0.000 2.264 318 D HA -0.066 4.574 4.640 -0.000 0.000 0.208 318 D C 1.859 178.173 176.300 0.023 0.000 0.966 318 D CA 0.890 54.906 54.000 0.027 0.000 0.864 318 D CB -0.123 40.688 40.800 0.018 0.000 0.933 318 D HN 0.272 nan 8.370 nan 0.000 0.499 319 L N 0.615 121.857 121.223 0.032 0.000 2.209 319 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 319 L C 0.794 177.679 176.870 0.024 0.000 1.094 319 L CA 0.281 55.138 54.840 0.029 0.000 0.790 319 L CB 0.227 42.310 42.059 0.041 0.000 0.932 319 L HN -0.204 nan 8.230 nan 0.000 0.447 320 V N 2.654 122.585 119.914 0.028 0.000 2.364 320 V HA 0.028 4.148 4.120 -0.000 0.000 0.252 320 V C 0.133 176.244 176.094 0.029 0.000 1.075 320 V CA -0.278 62.033 62.300 0.018 0.000 1.033 320 V CB 0.320 32.154 31.823 0.018 0.000 1.116 320 V HN 0.074 nan 8.190 nan 0.000 0.488 321 L N 5.965 127.205 121.223 0.028 0.000 2.331 321 L HA 0.524 4.864 4.340 -0.000 0.000 0.278 321 L C 0.098 176.987 176.870 0.031 0.000 1.106 321 L CA 0.598 55.449 54.840 0.017 0.000 0.824 321 L CB 0.695 42.758 42.059 0.007 0.000 1.142 321 L HN 0.679 nan 8.230 nan 0.000 0.443 322 E N 3.258 123.454 120.200 -0.006 0.000 2.359 322 E HA 0.640 4.990 4.350 -0.000 0.000 0.266 322 E C -1.521 174.998 176.600 -0.135 0.000 0.920 322 E CA -1.109 55.280 56.400 -0.019 0.000 0.788 322 E CB 2.459 32.170 29.700 0.020 0.000 1.279 322 E HN 0.383 nan 8.360 nan 0.000 0.438 323 V N 1.497 121.294 119.914 -0.194 0.000 2.483 323 V HA 0.250 4.370 4.120 -0.000 0.000 0.297 323 V C -0.330 175.673 176.094 -0.152 0.000 1.027 323 V CA -0.848 61.276 62.300 -0.293 0.000 0.855 323 V CB 1.620 33.014 31.823 -0.716 0.000 0.995 323 V HN 0.820 nan 8.190 nan 0.000 0.424 324 T N 3.842 118.317 114.554 -0.131 0.000 2.761 324 T HA 0.475 4.825 4.350 -0.000 0.000 0.296 324 T C -0.000 174.686 174.700 -0.023 0.000 0.934 324 T CA -0.750 61.288 62.100 -0.103 0.000 1.091 324 T CB 0.607 69.413 68.868 -0.103 0.000 0.896 324 T HN 0.314 nan 8.240 nan 0.000 0.515 325 M N 4.153 123.770 119.600 0.028 0.000 2.217 325 M HA 0.256 4.736 4.480 -0.000 0.000 0.352 325 M C 0.501 176.941 176.300 0.233 0.000 1.376 325 M CA 0.149 55.559 55.300 0.184 0.000 1.107 325 M CB -0.487 32.273 32.600 0.266 0.000 1.723 325 M HN 0.930 nan 8.290 nan 0.000 0.461 326 E N 1.853 122.261 120.200 0.347 0.000 2.311 326 E HA 0.293 4.643 4.350 -0.000 0.000 0.281 326 E C -1.193 175.589 176.600 0.303 0.000 0.905 326 E CA -0.816 55.814 56.400 0.384 0.000 0.778 326 E CB 1.440 31.260 29.700 0.200 0.000 1.240 326 E HN 0.603 nan 8.360 nan 0.000 0.410 327 H N 4.428 123.530 119.070 0.054 0.000 2.652 327 H HA 0.148 4.704 4.556 -0.000 0.000 0.349 327 H C -1.533 173.674 175.328 -0.201 0.000 1.099 327 H CA -1.758 54.117 56.048 -0.288 0.000 1.417 327 H CB 1.603 30.995 29.762 -0.617 0.000 1.457 327 H HN 0.485 nan 8.280 nan 0.000 0.568 328 P HA -0.001 nan 4.420 nan 0.000 0.242 328 P C 0.242 177.533 177.300 -0.015 0.000 1.197 328 P CA 0.876 63.695 63.100 -0.468 0.000 0.765 328 P CB 0.609 31.773 31.700 -0.892 0.000 0.936 329 K N -2.653 117.929 120.400 0.304 0.000 2.645 329 K HA 0.150 4.470 4.320 -0.000 0.000 0.203 329 K C -0.240 176.368 176.600 0.014 0.000 1.653 329 K CA 0.068 56.444 56.287 0.149 0.000 1.138 329 K CB 0.472 33.066 32.500 0.157 0.000 1.515 329 K HN -0.132 nan 8.250 nan 0.000 0.592 330 Y N 2.612 122.696 120.300 -0.360 0.000 2.802 330 Y HA 0.225 4.775 4.550 -0.000 0.000 0.330 330 Y C 0.577 176.168 175.900 -0.515 0.000 1.193 330 Y CA -0.648 57.075 58.100 -0.628 0.000 1.427 330 Y CB 0.152 37.846 38.460 -1.277 0.000 1.357 330 Y HN 0.051 nan 8.280 nan 0.000 0.501 331 E N 1.579 121.738 120.200 -0.068 0.000 2.333 331 E HA -0.231 4.119 4.350 -0.000 0.000 0.200 331 E C 1.291 177.943 176.600 0.088 0.000 1.010 331 E CA 1.343 57.763 56.400 0.033 0.000 0.841 331 E CB -0.061 29.684 29.700 0.076 0.000 0.757 331 E HN 0.865 nan 8.360 nan 0.000 0.508 332 W N -0.529 120.867 121.300 0.161 0.000 2.800 332 W HA 0.005 4.665 4.660 -0.000 0.000 0.249 332 W C 1.326 177.943 176.519 0.164 0.000 1.294 332 W CA -0.315 57.108 57.345 0.130 0.000 1.402 332 W CB -0.730 28.794 29.460 0.106 0.000 1.126 332 W HN -0.063 nan 8.180 nan 0.000 0.652 333 F N 3.543 123.221 119.950 -0.453 0.000 2.234 333 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 333 F C 2.836 178.585 175.800 -0.086 0.000 1.087 333 F CA 2.636 60.389 58.000 -0.412 0.000 1.340 333 F CB -0.424 38.257 39.000 -0.532 0.000 1.031 333 F HN 0.032 nan 8.300 nan 0.000 0.500 334 Q N -0.253 119.551 119.800 0.006 0.000 2.297 334 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 334 Q C 1.561 177.526 176.000 -0.058 0.000 0.962 334 Q CA 1.600 57.379 55.803 -0.041 0.000 0.879 334 Q CB -0.762 27.997 28.738 0.036 0.000 0.947 334 Q HN 0.484 nan 8.270 nan 0.000 0.462 335 E N 0.411 120.623 120.200 0.018 0.000 2.333 335 E HA -0.126 4.224 4.350 -0.000 0.000 0.198 335 E C 1.252 177.849 176.600 -0.005 0.000 1.007 335 E CA 0.494 56.922 56.400 0.045 0.000 0.845 335 E CB 0.058 29.839 29.700 0.134 0.000 0.766 335 E HN 0.329 nan 8.360 nan 0.000 0.507 336 L N -0.308 120.856 121.223 -0.099 0.000 2.465 336 L HA 0.026 4.366 4.340 -0.000 0.000 0.224 336 L C 1.407 178.203 176.870 -0.124 0.000 1.145 336 L CA 1.121 55.873 54.840 -0.148 0.000 0.834 336 L CB -0.703 41.135 42.059 -0.369 0.000 0.944 336 L HN 0.160 nan 8.230 nan 0.000 0.451 337 G N 0.088 108.814 108.800 -0.123 0.000 2.338 337 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.296 337 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.296 337 G C -0.170 174.660 174.900 -0.117 0.000 1.040 337 G CA -0.053 44.996 45.100 -0.085 0.000 1.004 337 G HN 0.124 nan 8.290 nan 0.000 0.509 338 L N -0.096 120.984 121.223 -0.239 0.000 2.331 338 L HA 0.912 5.252 4.340 -0.000 0.000 0.275 338 L C 0.436 177.103 176.870 -0.337 0.000 1.022 338 L CA -0.561 54.107 54.840 -0.287 0.000 0.812 338 L CB 1.762 43.556 42.059 -0.442 0.000 1.257 338 L HN 0.658 nan 8.230 nan 0.000 0.435 339 K N 1.114 121.225 120.400 -0.481 0.000 2.617 339 K HA 0.579 4.899 4.320 -0.000 0.000 0.293 339 K C -1.873 174.775 176.600 0.080 0.000 1.034 339 K CA -1.017 55.094 56.287 -0.295 0.000 0.884 339 K CB 1.955 34.135 32.500 -0.534 0.000 1.541 339 K HN 0.492 nan 8.250 nan 0.000 0.409 340 W N 1.555 122.846 121.300 -0.014 0.000 3.275 340 W HA 0.296 4.956 4.660 -0.000 0.000 0.306 340 W C -1.422 175.182 176.519 0.141 0.000 1.259 340 W CA -0.790 56.652 57.345 0.161 0.000 1.194 340 W CB 1.340 30.764 29.460 -0.060 0.000 1.375 340 W HN 0.689 nan 8.180 nan 0.000 0.564 341 Y N 1.307 121.458 120.300 -0.249 0.000 2.397 341 Y HA 0.486 5.036 4.550 -0.000 0.000 0.335 341 Y C 0.816 176.871 175.900 0.258 0.000 1.213 341 Y CA 0.362 58.419 58.100 -0.073 0.000 1.391 341 Y CB 0.253 38.553 38.460 -0.268 0.000 1.293 341 Y HN 0.340 nan 8.280 nan 0.000 0.557 342 A N 2.662 125.716 122.820 0.390 0.000 2.169 342 A HA 0.131 4.451 4.320 -0.000 0.000 0.212 342 A C 0.283 178.246 177.584 0.632 0.000 1.153 342 A CA 0.132 52.466 52.037 0.494 0.000 0.756 342 A CB -0.184 18.938 19.000 0.203 0.000 0.813 342 A HN 0.631 nan 8.150 nan 0.000 0.471 343 L N 1.751 123.301 121.223 0.545 0.000 2.276 343 L HA 0.431 4.771 4.340 -0.000 0.000 0.286 343 L C -2.584 174.453 176.870 0.279 0.000 1.024 343 L CA -2.271 52.763 54.840 0.323 0.000 0.826 343 L CB 1.679 43.805 42.059 0.113 0.000 1.211 343 L HN -0.062 nan 8.230 nan 0.000 0.422 344 P HA 0.342 nan 4.420 nan 0.000 0.258 344 P C -1.368 175.784 177.300 -0.248 0.000 1.647 344 P CA -0.308 62.599 63.100 -0.320 0.000 1.099 344 P CB 1.072 32.206 31.700 -0.944 0.000 1.604 345 A N 4.308 127.005 122.820 -0.205 0.000 2.310 345 A HA 0.454 4.774 4.320 -0.000 0.000 0.304 345 A C -0.107 177.234 177.584 -0.404 0.000 1.231 345 A CA -0.685 51.175 52.037 -0.295 0.000 0.799 345 A CB 0.963 19.848 19.000 -0.191 0.000 1.162 345 A HN 0.265 nan 8.150 nan 0.000 0.486 346 V N 2.704 122.187 119.914 -0.719 0.000 2.521 346 V HA 0.314 4.434 4.120 -0.000 0.000 0.286 346 V C 1.292 176.963 176.094 -0.705 0.000 1.034 346 V CA 0.878 62.705 62.300 -0.788 0.000 1.045 346 V CB 0.566 31.690 31.823 -1.165 0.000 0.974 346 V HN 1.064 nan 8.190 nan 0.000 0.480 347 A N 4.674 127.257 122.820 -0.394 0.000 1.919 347 A HA 0.019 4.339 4.320 -0.000 0.000 0.211 347 A C 1.623 179.110 177.584 -0.163 0.000 1.310 347 A CA 0.694 52.586 52.037 -0.243 0.000 0.651 347 A CB -0.439 18.463 19.000 -0.164 0.000 0.996 347 A HN 0.911 nan 8.150 nan 0.000 0.479 348 N N -0.408 118.211 118.700 -0.135 0.000 2.535 348 N HA 0.050 4.790 4.740 -0.000 0.000 0.203 348 N C 0.267 175.748 175.510 -0.049 0.000 1.301 348 N CA -0.046 52.962 53.050 -0.070 0.000 0.859 348 N CB -0.209 38.245 38.487 -0.056 0.000 1.055 348 N HN 0.435 nan 8.380 nan 0.000 0.457 349 M N 0.918 120.497 119.600 -0.036 0.000 2.494 349 M HA 0.361 4.841 4.480 -0.000 0.000 0.300 349 M C -0.524 175.878 176.300 0.170 0.000 1.189 349 M CA -0.800 54.531 55.300 0.051 0.000 0.982 349 M CB 2.071 34.714 32.600 0.071 0.000 1.534 349 M HN 0.112 nan 8.290 nan 0.000 0.488 350 L N 2.239 123.607 121.223 0.242 0.000 2.356 350 L HA 0.501 4.841 4.340 -0.000 0.000 0.277 350 L C -1.547 175.539 176.870 0.360 0.000 0.996 350 L CA -0.975 54.034 54.840 0.281 0.000 0.822 350 L CB 1.577 43.767 42.059 0.218 0.000 1.256 350 L HN 0.542 nan 8.230 nan 0.000 0.413 351 L N 5.251 126.681 121.223 0.344 0.000 2.261 351 L HA 0.431 4.770 4.340 -0.000 0.000 0.289 351 L C -0.283 176.740 176.870 0.254 0.000 1.059 351 L CA 0.369 55.348 54.840 0.231 0.000 0.816 351 L CB 0.905 43.060 42.059 0.160 0.000 1.191 351 L HN 0.596 nan 8.230 nan 0.000 0.431 352 E N 4.871 125.178 120.200 0.178 0.000 2.191 352 E HA 0.545 4.895 4.350 -0.000 0.000 0.278 352 E C -1.839 174.786 176.600 0.042 0.000 0.972 352 E CA -0.416 56.053 56.400 0.114 0.000 0.804 352 E CB 1.933 31.692 29.700 0.098 0.000 1.110 352 E HN 0.497 nan 8.360 nan 0.000 0.394 353 V N 2.855 122.757 119.914 -0.020 0.000 2.950 353 V HA 0.442 4.562 4.120 -0.000 0.000 0.295 353 V C 0.257 176.233 176.094 -0.196 0.000 1.297 353 V CA 0.378 62.572 62.300 -0.177 0.000 0.962 353 V CB 1.515 33.137 31.823 -0.334 0.000 1.081 353 V HN 0.887 nan 8.190 nan 0.000 0.432 354 G N 4.115 112.833 108.800 -0.137 0.000 2.450 354 G HA2 0.075 4.035 3.960 -0.000 0.000 0.302 354 G HA3 0.075 4.035 3.960 -0.000 0.000 0.302 354 G C 1.665 176.718 174.900 0.255 0.000 0.957 354 G CA 1.753 46.960 45.100 0.179 0.000 1.005 354 G HN 2.744 nan 8.290 nan 0.000 0.514 355 G N -2.110 106.767 108.800 0.127 0.000 2.336 355 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.233 355 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.233 355 G C 0.598 175.531 174.900 0.054 0.000 1.053 355 G CA 0.607 45.809 45.100 0.169 0.000 0.625 355 G HN 1.341 nan 8.290 nan 0.000 0.511 356 L N 1.354 122.570 121.223 -0.012 0.000 2.468 356 L HA 0.693 5.033 4.340 -0.000 0.000 0.254 356 L C 0.563 177.308 176.870 -0.209 0.000 1.171 356 L CA -0.196 54.537 54.840 -0.178 0.000 0.809 356 L CB 0.712 42.555 42.059 -0.359 0.000 1.155 356 L HN 0.534 nan 8.230 nan 0.000 0.473 357 E N 0.191 120.179 120.200 -0.352 0.000 2.311 357 E HA 0.403 4.753 4.350 -0.000 0.000 0.281 357 E C -1.734 174.672 176.600 -0.324 0.000 0.905 357 E CA -0.608 55.666 56.400 -0.210 0.000 0.778 357 E CB 1.255 30.894 29.700 -0.101 0.000 1.240 357 E HN 0.241 nan 8.360 nan 0.000 0.410 358 F N 3.146 123.106 119.950 0.016 0.000 2.293 358 F HA 0.310 4.837 4.527 -0.000 0.000 0.370 358 F C -1.542 174.312 175.800 0.089 0.000 1.090 358 F CA -2.546 55.484 58.000 0.049 0.000 1.133 358 F CB 1.379 40.406 39.000 0.045 0.000 1.360 358 F HN 0.360 nan 8.300 nan 0.000 0.489 359 P HA -0.052 nan 4.420 nan 0.000 0.231 359 P C -0.010 177.394 177.300 0.173 0.000 1.158 359 P CA 0.660 63.860 63.100 0.167 0.000 0.763 359 P CB 0.405 32.178 31.700 0.123 0.000 0.805 360 A N 0.186 123.140 122.820 0.224 0.000 2.385 360 A HA 0.556 4.876 4.320 -0.000 0.000 0.290 360 A C -0.121 177.614 177.584 0.252 0.000 1.094 360 A CA -0.395 51.738 52.037 0.161 0.000 0.729 360 A CB 0.531 19.578 19.000 0.077 0.000 1.194 360 A HN 0.276 nan 8.150 nan 0.000 0.442 361 C N 0.580 120.001 119.300 0.201 0.000 2.629 361 C HA 0.388 4.848 4.460 -0.000 0.000 0.252 361 C C -2.950 172.132 174.990 0.153 0.000 0.933 361 C CA -1.296 57.849 59.018 0.212 0.000 0.891 361 C CB -0.684 27.168 27.740 0.187 0.000 1.708 361 C HN 0.588 nan 8.230 nan 0.000 0.711 362 P HA 0.326 nan 4.420 nan 0.000 0.265 362 P C -0.491 176.790 177.300 -0.030 0.000 1.187 362 P CA 1.049 64.103 63.100 -0.078 0.000 0.766 362 P CB 0.476 32.170 31.700 -0.009 0.000 0.820 363 F N 0.050 119.922 119.950 -0.130 0.000 2.664 363 F HA 0.692 5.219 4.527 -0.000 0.000 0.317 363 F C -0.726 174.956 175.800 -0.197 0.000 1.108 363 F CA -1.133 56.757 58.000 -0.184 0.000 0.957 363 F CB 1.739 40.467 39.000 -0.453 0.000 1.365 363 F HN 0.379 nan 8.300 nan 0.000 0.475 364 N N -0.299 118.379 118.700 -0.038 0.000 2.591 364 N HA 0.658 5.398 4.740 -0.000 0.000 0.263 364 N C -1.277 174.070 175.510 -0.271 0.000 1.308 364 N CA -0.462 52.479 53.050 -0.183 0.000 0.837 364 N CB 1.992 40.378 38.487 -0.168 0.000 1.548 364 N HN 1.059 nan 8.380 nan 0.000 0.493 365 G N -0.517 108.089 108.800 -0.323 0.000 3.356 365 G HA2 0.699 4.659 3.960 -0.000 0.000 0.178 365 G HA3 0.699 4.659 3.960 -0.000 0.000 0.178 365 G C -1.684 173.073 174.900 -0.238 0.000 1.130 365 G CA -0.623 44.183 45.100 -0.489 0.000 0.800 365 G HN 0.704 nan 8.290 nan 0.000 0.669 366 W N -1.781 119.476 121.300 -0.071 0.000 3.031 366 W HA 0.789 5.449 4.660 -0.000 0.000 0.337 366 W C -1.413 175.060 176.519 -0.076 0.000 1.187 366 W CA -2.332 54.991 57.345 -0.037 0.000 1.166 366 W CB 0.215 29.701 29.460 0.042 0.000 1.437 366 W HN 0.443 nan 8.180 nan 0.000 0.551 367 Y N 2.346 122.814 120.300 0.279 0.000 2.607 367 Y HA 0.177 4.727 4.550 -0.000 0.000 0.348 367 Y C 0.880 176.819 175.900 0.065 0.000 1.261 367 Y CA 0.094 58.231 58.100 0.061 0.000 1.480 367 Y CB 0.666 39.044 38.460 -0.135 0.000 1.358 367 Y HN 0.397 nan 8.280 nan 0.000 0.630 368 M N 2.230 121.935 119.600 0.175 0.000 2.142 368 M HA 0.291 4.771 4.480 -0.000 0.000 0.299 368 M C 0.980 177.239 176.300 -0.068 0.000 0.960 368 M CA -0.267 55.071 55.300 0.064 0.000 0.920 368 M CB 1.444 34.068 32.600 0.039 0.000 1.541 368 M HN 0.875 nan 8.290 nan 0.000 0.429 369 G N 2.359 111.073 108.800 -0.144 0.000 2.830 369 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.230 369 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.230 369 G C 1.104 175.825 174.900 -0.298 0.000 1.172 369 G CA 2.457 47.408 45.100 -0.248 0.000 0.764 369 G HN 0.881 nan 8.290 nan 0.000 0.640 370 T N -0.685 113.682 114.554 -0.311 0.000 2.848 370 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 370 T C 1.920 176.425 174.700 -0.325 0.000 1.081 370 T CA 1.956 63.830 62.100 -0.376 0.000 1.125 370 T CB -0.406 68.169 68.868 -0.487 0.000 0.848 370 T HN 0.643 nan 8.240 nan 0.000 0.503 371 E N 0.894 120.929 120.200 -0.274 0.000 2.072 371 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 371 E C 2.150 178.478 176.600 -0.455 0.000 0.985 371 E CA 1.404 57.656 56.400 -0.247 0.000 0.801 371 E CB -0.263 29.424 29.700 -0.022 0.000 0.750 371 E HN 0.603 nan 8.360 nan 0.000 0.452 372 I N 0.502 120.671 120.570 -0.667 0.000 2.385 372 I HA -0.033 4.137 4.170 -0.000 0.000 0.244 372 I C 2.628 178.166 176.117 -0.966 0.000 1.089 372 I CA 0.880 61.479 61.300 -1.170 0.000 1.410 372 I CB -0.544 36.663 38.000 -1.322 0.000 1.117 372 I HN 0.088 nan 8.210 nan 0.000 0.429 373 G N 0.849 109.331 108.800 -0.529 0.000 2.418 373 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.217 373 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.217 373 G C 1.581 176.406 174.900 -0.125 0.000 1.158 373 G CA 1.320 46.306 45.100 -0.189 0.000 0.771 373 G HN 0.249 nan 8.290 nan 0.000 0.545 374 V N 0.159 119.941 119.914 -0.221 0.000 2.490 374 V HA 0.091 4.211 4.120 -0.000 0.000 0.238 374 V C 2.767 178.768 176.094 -0.156 0.000 1.056 374 V CA 0.823 63.023 62.300 -0.167 0.000 1.075 374 V CB -0.379 31.316 31.823 -0.213 0.000 0.746 374 V HN 0.092 nan 8.190 nan 0.000 0.479 375 R N 0.943 121.309 120.500 -0.224 0.000 2.056 375 R HA -0.057 4.283 4.340 -0.000 0.000 0.227 375 R C 1.999 178.196 176.300 -0.171 0.000 1.149 375 R CA 1.677 57.662 56.100 -0.191 0.000 0.937 375 R CB -1.143 29.026 30.300 -0.220 0.000 0.835 375 R HN 0.467 nan 8.270 nan 0.000 0.430 376 D N 0.444 120.637 120.400 -0.344 0.000 2.092 376 D HA -0.127 4.513 4.640 -0.000 0.000 0.193 376 D C 1.902 178.166 176.300 -0.060 0.000 0.994 376 D CA 1.163 54.924 54.000 -0.399 0.000 0.828 376 D CB -0.250 39.797 40.800 -1.254 0.000 0.963 376 D HN 0.087 nan 8.370 nan 0.000 0.450 377 F N 0.185 120.029 119.950 -0.177 0.000 2.335 377 F HA 0.026 4.553 4.527 -0.000 0.000 0.296 377 F C 2.298 178.123 175.800 0.043 0.000 1.091 377 F CA -0.148 57.837 58.000 -0.025 0.000 1.399 377 F CB -0.567 38.399 39.000 -0.058 0.000 1.067 377 F HN 0.043 nan 8.300 nan 0.000 0.520 378 C N -1.205 118.199 119.300 0.174 0.000 3.070 378 C HA 0.209 4.669 4.460 -0.000 0.000 0.280 378 C C 0.465 175.493 174.990 0.064 0.000 1.264 378 C CA -0.745 58.338 59.018 0.107 0.000 1.690 378 C CB -0.778 26.995 27.740 0.055 0.000 2.049 378 C HN 0.067 nan 8.230 nan 0.000 0.636 379 D N 1.401 121.833 120.400 0.053 0.000 2.399 379 D HA 0.128 4.768 4.640 -0.000 0.000 0.241 379 D C 1.313 177.651 176.300 0.064 0.000 1.133 379 D CA 0.534 54.557 54.000 0.039 0.000 0.890 379 D CB 0.943 41.759 40.800 0.027 0.000 1.201 379 D HN 0.135 nan 8.370 nan 0.000 0.432 380 T N 0.804 115.392 114.554 0.056 0.000 2.788 380 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 380 T C 1.583 176.319 174.700 0.059 0.000 1.044 380 T CA 0.938 63.074 62.100 0.061 0.000 1.139 380 T CB -0.039 68.863 68.868 0.056 0.000 0.867 380 T HN 0.513 nan 8.240 nan 0.000 0.454 381 Q N 0.552 120.390 119.800 0.063 0.000 2.444 381 Q HA 0.105 4.444 4.340 -0.000 0.000 0.206 381 Q C 1.044 177.069 176.000 0.042 0.000 0.948 381 Q CA 0.376 56.217 55.803 0.064 0.000 0.946 381 Q CB 0.200 28.997 28.738 0.098 0.000 1.027 381 Q HN 0.309 nan 8.270 nan 0.000 0.513 382 R N -0.256 120.271 120.500 0.045 0.000 2.769 382 R HA 0.256 4.596 4.340 -0.000 0.000 0.117 382 R C 1.607 177.893 176.300 -0.023 0.000 1.152 382 R CA -0.456 55.663 56.100 0.032 0.000 0.887 382 R CB -1.142 29.236 30.300 0.130 0.000 1.099 382 R HN 0.052 nan 8.270 nan 0.000 0.398 383 Y N 1.442 121.833 120.300 0.152 0.000 2.352 383 Y HA -0.115 4.435 4.550 -0.000 0.000 0.292 383 Y C 0.628 176.594 175.900 0.110 0.000 1.136 383 Y CA 1.137 59.327 58.100 0.151 0.000 1.227 383 Y CB -0.246 38.369 38.460 0.257 0.000 0.991 383 Y HN 0.476 nan 8.280 nan 0.000 0.545 384 N N 0.495 119.327 118.700 0.220 0.000 2.642 384 N HA -0.221 4.519 4.740 -0.000 0.000 0.269 384 N C 0.347 175.951 175.510 0.157 0.000 1.073 384 N CA 0.812 53.955 53.050 0.154 0.000 0.748 384 N CB -1.219 37.331 38.487 0.105 0.000 0.894 384 N HN 0.658 nan 8.380 nan 0.000 0.548 385 I N -2.742 117.930 120.570 0.169 0.000 3.462 385 I HA 0.060 4.230 4.170 -0.000 0.000 0.290 385 I C 1.957 178.170 176.117 0.160 0.000 1.236 385 I CA -0.322 61.058 61.300 0.133 0.000 1.418 385 I CB -0.182 37.855 38.000 0.062 0.000 1.102 385 I HN 0.231 nan 8.210 nan 0.000 0.441 386 L N 1.698 123.028 121.223 0.179 0.000 2.085 386 L HA -0.314 4.026 4.340 -0.000 0.000 0.218 386 L C 2.677 179.758 176.870 0.352 0.000 1.080 386 L CA 2.638 57.619 54.840 0.235 0.000 0.776 386 L CB -0.475 41.678 42.059 0.156 0.000 0.891 386 L HN 0.499 nan 8.230 nan 0.000 0.437 387 E N 0.787 121.154 120.200 0.278 0.000 2.035 387 E HA -0.295 4.055 4.350 -0.000 0.000 0.204 387 E C 1.867 178.519 176.600 0.087 0.000 1.025 387 E CA 2.414 58.936 56.400 0.203 0.000 0.835 387 E CB -0.192 29.579 29.700 0.118 0.000 0.764 387 E HN 0.701 nan 8.360 nan 0.000 0.457 388 E N -0.519 119.734 120.200 0.090 0.000 2.371 388 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 388 E C 2.035 178.700 176.600 0.109 0.000 1.012 388 E CA 0.906 57.337 56.400 0.052 0.000 0.860 388 E CB 0.023 29.748 29.700 0.041 0.000 0.811 388 E HN 0.186 nan 8.360 nan 0.000 0.502 389 V N 1.542 121.585 119.914 0.215 0.000 2.548 389 V HA -0.110 4.010 4.120 -0.000 0.000 0.249 389 V C 2.370 178.646 176.094 0.303 0.000 1.055 389 V CA 1.814 64.327 62.300 0.356 0.000 1.065 389 V CB -0.546 31.492 31.823 0.360 0.000 0.681 389 V HN 0.524 nan 8.190 nan 0.000 0.462 390 G N -0.420 108.521 108.800 0.236 0.000 2.394 390 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.214 390 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.214 390 G C 1.747 176.618 174.900 -0.048 0.000 1.176 390 G CA 0.392 45.590 45.100 0.164 0.000 0.786 390 G HN 0.356 nan 8.290 nan 0.000 0.533 391 R N 0.073 120.494 120.500 -0.133 0.000 2.094 391 R HA -0.034 4.306 4.340 -0.000 0.000 0.239 391 R C 2.740 178.918 176.300 -0.204 0.000 1.137 391 R CA 1.422 57.413 56.100 -0.182 0.000 0.943 391 R CB -0.258 29.949 30.300 -0.154 0.000 0.850 391 R HN 0.224 nan 8.270 nan 0.000 0.433 392 R N -0.238 120.096 120.500 -0.277 0.000 2.285 392 R HA -0.018 4.322 4.340 -0.000 0.000 0.213 392 R C 1.936 177.866 176.300 -0.617 0.000 1.068 392 R CA 0.869 56.576 56.100 -0.656 0.000 1.004 392 R CB -0.001 29.624 30.300 -1.125 0.000 0.873 392 R HN 0.276 nan 8.270 nan 0.000 0.467 393 M N -1.144 118.388 119.600 -0.114 0.000 2.541 393 M HA 0.113 4.593 4.480 -0.000 0.000 0.252 393 M C 0.883 177.217 176.300 0.058 0.000 1.125 393 M CA 0.688 56.104 55.300 0.194 0.000 1.091 393 M CB 0.835 33.634 32.600 0.331 0.000 1.420 393 M HN 0.421 nan 8.290 nan 0.000 0.486 394 G N 0.962 109.728 108.800 -0.057 0.000 2.143 394 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.249 394 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.249 394 G C -0.096 174.772 174.900 -0.053 0.000 0.981 394 G CA -0.379 44.680 45.100 -0.069 0.000 0.665 394 G HN 0.237 nan 8.290 nan 0.000 0.528 395 L N 0.305 121.496 121.223 -0.053 0.000 2.466 395 L HA 0.403 4.743 4.340 -0.000 0.000 0.257 395 L C 1.030 177.781 176.870 -0.199 0.000 1.189 395 L CA -0.369 54.436 54.840 -0.058 0.000 0.813 395 L CB 0.071 42.164 42.059 0.058 0.000 1.118 395 L HN 0.309 nan 8.230 nan 0.000 0.471 396 E N 0.248 120.358 120.200 -0.151 0.000 1.842 396 E HA 0.042 4.392 4.350 -0.000 0.000 0.278 396 E C 0.689 177.002 176.600 -0.479 0.000 1.171 396 E CA -0.040 56.253 56.400 -0.179 0.000 1.127 396 E CB -0.130 29.553 29.700 -0.028 0.000 1.100 396 E HN 0.492 nan 8.360 nan 0.000 0.456 397 T N 0.991 115.076 114.554 -0.782 0.000 2.996 397 T HA -0.138 4.212 4.350 -0.000 0.000 0.271 397 T C 0.756 174.921 174.700 -0.892 0.000 1.126 397 T CA 0.937 62.204 62.100 -1.389 0.000 1.103 397 T CB -0.103 68.059 68.868 -1.176 0.000 0.870 397 T HN 0.511 nan 8.240 nan 0.000 0.528 398 H N 0.229 119.162 119.070 -0.228 0.000 2.505 398 H HA 0.254 4.810 4.556 -0.000 0.000 0.286 398 H C -0.045 175.308 175.328 0.041 0.000 1.072 398 H CA 0.106 56.127 56.048 -0.045 0.000 1.141 398 H CB 0.489 30.220 29.762 -0.052 0.000 1.550 398 H HN 0.158 nan 8.280 nan 0.000 0.547 399 T N 2.723 117.362 114.554 0.142 0.000 3.009 399 T HA 0.105 4.455 4.350 -0.000 0.000 0.346 399 T C 1.247 176.126 174.700 0.299 0.000 1.092 399 T CA -0.458 61.750 62.100 0.180 0.000 1.080 399 T CB 1.390 70.335 68.868 0.128 0.000 1.037 399 T HN -0.006 nan 8.240 nan 0.000 0.487 400 L N 2.169 123.550 121.223 0.263 0.000 2.013 400 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 400 L C 2.723 179.678 176.870 0.142 0.000 1.073 400 L CA 2.154 57.121 54.840 0.213 0.000 0.753 400 L CB -1.432 40.693 42.059 0.109 0.000 0.890 400 L HN 0.754 nan 8.230 nan 0.000 0.432 401 A N -0.518 122.373 122.820 0.118 0.000 2.234 401 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 401 A C 2.248 179.893 177.584 0.101 0.000 1.167 401 A CA 1.499 53.588 52.037 0.085 0.000 0.698 401 A CB -0.599 18.444 19.000 0.070 0.000 0.779 401 A HN 0.625 nan 8.150 nan 0.000 0.475 402 S N -0.681 115.120 115.700 0.168 0.000 2.603 402 S HA 0.202 4.672 4.470 -0.000 0.000 0.220 402 S C 0.845 175.548 174.600 0.172 0.000 0.967 402 S CA 0.435 58.741 58.200 0.177 0.000 0.920 402 S CB -0.708 62.623 63.200 0.219 0.000 0.773 402 S HN 0.785 nan 8.310 nan 0.000 0.529 403 L N 0.520 121.808 121.223 0.109 0.000 3.976 403 L HA -0.199 4.141 4.340 -0.000 0.000 0.418 403 L C 1.771 178.663 176.870 0.038 0.000 1.177 403 L CA 0.912 55.758 54.840 0.010 0.000 0.968 403 L CB -2.641 39.429 42.059 0.018 0.000 1.933 403 L HN 0.756 nan 8.230 nan 0.000 0.976 404 W N 0.487 121.798 121.300 0.018 0.000 2.358 404 W HA -0.167 4.493 4.660 -0.000 0.000 0.303 404 W C 1.786 178.318 176.519 0.021 0.000 1.208 404 W CA 1.392 58.750 57.345 0.021 0.000 1.274 404 W CB -0.867 28.601 29.460 0.013 0.000 1.138 404 W HN 0.242 nan 8.180 nan 0.000 0.515 405 K N 0.906 120.830 120.400 -0.792 0.000 2.103 405 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 405 K C 1.493 177.934 176.600 -0.264 0.000 1.048 405 K CA 2.374 58.215 56.287 -0.743 0.000 0.930 405 K CB -0.398 31.513 32.500 -0.982 0.000 0.716 405 K HN 0.045 nan 8.250 nan 0.000 0.444 406 D N 0.149 120.436 120.400 -0.189 0.000 2.117 406 D HA -0.097 4.542 4.640 -0.000 0.000 0.197 406 D C 1.965 178.254 176.300 -0.019 0.000 0.987 406 D CA 1.091 55.040 54.000 -0.085 0.000 0.829 406 D CB 0.023 40.789 40.800 -0.056 0.000 0.961 406 D HN 0.115 nan 8.370 nan 0.000 0.460 407 R N 0.372 120.889 120.500 0.029 0.000 2.066 407 R HA 0.027 4.367 4.340 -0.000 0.000 0.232 407 R C 2.273 178.617 176.300 0.074 0.000 1.131 407 R CA 1.169 57.313 56.100 0.072 0.000 0.955 407 R CB -0.314 30.061 30.300 0.126 0.000 0.851 407 R HN 0.126 nan 8.270 nan 0.000 0.432 408 A N 0.725 123.617 122.820 0.120 0.000 1.851 408 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 408 A C 2.346 179.967 177.584 0.062 0.000 1.195 408 A CA 1.893 54.011 52.037 0.136 0.000 0.622 408 A CB -0.920 18.233 19.000 0.254 0.000 0.831 408 A HN 0.133 nan 8.150 nan 0.000 0.444 409 V N -0.143 119.788 119.914 0.028 0.000 2.282 409 V HA -0.305 3.815 4.120 -0.000 0.000 0.249 409 V C 2.715 178.799 176.094 -0.016 0.000 1.057 409 V CA 2.638 64.938 62.300 0.000 0.000 1.032 409 V CB -1.577 30.220 31.823 -0.043 0.000 0.645 409 V HN 0.633 nan 8.190 nan 0.000 0.447 410 T N -0.530 114.016 114.554 -0.013 0.000 2.720 410 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 410 T C 1.872 176.548 174.700 -0.040 0.000 1.037 410 T CA 1.603 63.698 62.100 -0.009 0.000 1.144 410 T CB -0.277 68.600 68.868 0.014 0.000 0.864 410 T HN 0.510 nan 8.240 nan 0.000 0.444 411 E N 0.813 120.980 120.200 -0.056 0.000 2.106 411 E HA 0.031 4.381 4.350 -0.000 0.000 0.192 411 E C 2.268 178.736 176.600 -0.220 0.000 0.984 411 E CA 0.620 56.948 56.400 -0.120 0.000 0.806 411 E CB -0.388 29.175 29.700 -0.228 0.000 0.750 411 E HN 0.534 nan 8.360 nan 0.000 0.458 412 I N 1.647 122.142 120.570 -0.125 0.000 2.286 412 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 412 I C 2.065 178.146 176.117 -0.060 0.000 1.115 412 I CA 0.774 62.039 61.300 -0.059 0.000 1.392 412 I CB -0.353 37.728 38.000 0.136 0.000 1.065 412 I HN 0.043 nan 8.210 nan 0.000 0.418 413 N N 0.838 119.496 118.700 -0.070 0.000 2.084 413 N HA -0.137 4.603 4.740 -0.000 0.000 0.190 413 N C 1.959 177.408 175.510 -0.102 0.000 1.030 413 N CA 1.846 54.847 53.050 -0.082 0.000 0.849 413 N CB -0.345 38.099 38.487 -0.072 0.000 1.012 413 N HN 0.298 nan 8.380 nan 0.000 0.423 414 V N -0.116 119.703 119.914 -0.158 0.000 2.515 414 V HA -0.036 4.084 4.120 -0.000 0.000 0.250 414 V C 2.472 178.399 176.094 -0.280 0.000 1.058 414 V CA 1.507 63.680 62.300 -0.212 0.000 1.064 414 V CB -1.302 30.348 31.823 -0.287 0.000 0.675 414 V HN 0.170 nan 8.190 nan 0.000 0.461 415 A N 0.794 123.369 122.820 -0.410 0.000 1.865 415 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 415 A C 2.431 180.014 177.584 -0.001 0.000 1.191 415 A CA 2.392 54.204 52.037 -0.376 0.000 0.623 415 A CB -0.933 17.643 19.000 -0.706 0.000 0.826 415 A HN 0.360 nan 8.150 nan 0.000 0.444 416 V N -0.421 119.527 119.914 0.057 0.000 2.255 416 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 416 V C 2.563 178.737 176.094 0.135 0.000 1.051 416 V CA 2.129 64.519 62.300 0.149 0.000 1.018 416 V CB -0.834 30.993 31.823 0.007 0.000 0.641 416 V HN 0.501 nan 8.190 nan 0.000 0.445 417 L N -0.507 120.724 121.223 0.014 0.000 2.012 417 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 417 L C 2.486 179.413 176.870 0.094 0.000 1.073 417 L CA 2.298 57.150 54.840 0.020 0.000 0.748 417 L CB -1.056 41.000 42.059 -0.006 0.000 0.891 417 L HN 0.486 nan 8.230 nan 0.000 0.431 418 H N -0.989 118.060 119.070 -0.035 0.000 2.267 418 H HA -0.166 4.390 4.556 -0.000 0.000 0.297 418 H C 2.232 177.573 175.328 0.022 0.000 1.080 418 H CA 1.824 57.846 56.048 -0.044 0.000 1.278 418 H CB 0.287 29.966 29.762 -0.139 0.000 1.365 418 H HN 0.296 nan 8.280 nan 0.000 0.489 419 S N 0.220 115.901 115.700 -0.031 0.000 2.387 419 S HA -0.167 4.303 4.470 -0.000 0.000 0.230 419 S C 1.952 176.523 174.600 -0.048 0.000 1.035 419 S CA 1.543 59.705 58.200 -0.063 0.000 1.014 419 S CB -0.478 62.777 63.200 0.092 0.000 0.836 419 S HN 0.305 nan 8.310 nan 0.000 0.466 420 F N 1.346 121.244 119.950 -0.087 0.000 2.128 420 F HA -0.031 4.496 4.527 -0.000 0.000 0.295 420 F C 2.717 178.462 175.800 -0.090 0.000 1.100 420 F CA 1.150 59.111 58.000 -0.064 0.000 1.260 420 F CB -0.665 38.312 39.000 -0.037 0.000 1.009 420 F HN 0.156 nan 8.300 nan 0.000 0.476 421 Q N 0.408 120.260 119.800 0.087 0.000 2.061 421 Q HA -0.274 4.066 4.340 -0.000 0.000 0.204 421 Q C 2.230 178.183 176.000 -0.079 0.000 0.984 421 Q CA 2.029 57.831 55.803 -0.002 0.000 0.846 421 Q CB -0.090 28.646 28.738 -0.002 0.000 0.902 421 Q HN 0.191 nan 8.270 nan 0.000 0.421 422 K N 0.319 120.607 120.400 -0.186 0.000 2.020 422 K HA -0.193 4.127 4.320 -0.000 0.000 0.212 422 K C 1.280 177.795 176.600 -0.140 0.000 1.050 422 K CA 1.932 58.086 56.287 -0.223 0.000 0.929 422 K CB 0.044 32.304 32.500 -0.401 0.000 0.714 422 K HN 0.255 nan 8.250 nan 0.000 0.443 423 Q N 0.773 120.486 119.800 -0.144 0.000 2.253 423 Q HA 0.127 4.467 4.340 -0.000 0.000 0.210 423 Q C -0.710 175.229 176.000 -0.102 0.000 0.907 423 Q CA -0.182 55.545 55.803 -0.126 0.000 0.948 423 Q CB 0.069 28.709 28.738 -0.163 0.000 1.033 423 Q HN 0.309 nan 8.270 nan 0.000 0.471 424 N N 0.354 119.008 118.700 -0.075 0.000 2.714 424 N HA -0.158 4.582 4.740 -0.000 0.000 0.252 424 N C -1.293 174.191 175.510 -0.043 0.000 1.014 424 N CA 0.573 53.591 53.050 -0.053 0.000 0.735 424 N CB -0.908 37.547 38.487 -0.053 0.000 0.924 424 N HN 0.067 nan 8.380 nan 0.000 0.540 425 V N 1.132 121.035 119.914 -0.018 0.000 2.378 425 V HA 0.184 4.304 4.120 -0.000 0.000 0.288 425 V C 0.732 176.934 176.094 0.178 0.000 1.016 425 V CA -0.671 61.654 62.300 0.041 0.000 0.840 425 V CB 1.944 33.716 31.823 -0.084 0.000 0.994 425 V HN 0.188 nan 8.190 nan 0.000 0.431 426 T N 6.584 121.183 114.554 0.074 0.000 2.891 426 T HA 0.328 4.678 4.350 -0.000 0.000 0.296 426 T C -0.200 174.534 174.700 0.057 0.000 1.025 426 T CA 1.048 63.113 62.100 -0.058 0.000 1.149 426 T CB 0.093 68.802 68.868 -0.266 0.000 1.007 426 T HN 0.591 nan 8.240 nan 0.000 0.528 427 I N 2.027 122.540 120.570 -0.095 0.000 2.961 427 I HA 0.581 4.751 4.170 -0.000 0.000 0.303 427 I C -1.763 174.306 176.117 -0.079 0.000 1.505 427 I CA -1.098 60.158 61.300 -0.073 0.000 0.964 427 I CB 2.072 39.918 38.000 -0.257 0.000 1.348 427 I HN 0.674 nan 8.210 nan 0.000 0.508 428 M N 4.318 123.933 119.600 0.025 0.000 2.324 428 M HA 0.373 4.853 4.480 -0.000 0.000 0.288 428 M C -1.709 174.632 176.300 0.069 0.000 1.097 428 M CA -0.506 54.834 55.300 0.065 0.000 0.928 428 M CB 1.750 34.466 32.600 0.193 0.000 1.648 428 M HN 0.614 nan 8.290 nan 0.000 0.460 429 D N 2.233 122.677 120.400 0.073 0.000 2.368 429 D HA 0.044 4.684 4.640 -0.000 0.000 0.240 429 D C 1.154 177.555 176.300 0.168 0.000 1.169 429 D CA -0.005 54.079 54.000 0.141 0.000 0.906 429 D CB 0.556 41.438 40.800 0.136 0.000 1.187 429 D HN 0.691 nan 8.370 nan 0.000 0.435 430 H N 0.601 119.644 119.070 -0.045 0.000 2.421 430 H HA -0.165 4.391 4.556 -0.000 0.000 0.298 430 H C 1.181 176.423 175.328 -0.143 0.000 1.087 430 H CA 1.606 57.576 56.048 -0.130 0.000 1.330 430 H CB -0.850 28.772 29.762 -0.234 0.000 1.388 430 H HN 0.576 nan 8.280 nan 0.000 0.526 431 H N 1.127 120.000 119.070 -0.329 0.000 2.276 431 H HA -0.083 4.473 4.556 -0.000 0.000 0.301 431 H C 2.387 177.665 175.328 -0.083 0.000 1.073 431 H CA 2.434 58.339 56.048 -0.240 0.000 1.311 431 H CB -0.321 29.276 29.762 -0.274 0.000 1.379 431 H HN 0.592 nan 8.280 nan 0.000 0.494 432 T N -0.408 114.201 114.554 0.091 0.000 2.833 432 T HA -0.041 4.309 4.350 -0.000 0.000 0.269 432 T C 2.283 177.037 174.700 0.090 0.000 1.054 432 T CA 1.022 63.167 62.100 0.074 0.000 1.135 432 T CB -0.434 68.472 68.868 0.062 0.000 0.869 432 T HN 0.361 nan 8.240 nan 0.000 0.466 433 A N 1.777 124.653 122.820 0.093 0.000 1.873 433 A HA 0.017 4.337 4.320 -0.000 0.000 0.215 433 A C 2.720 180.377 177.584 0.121 0.000 1.186 433 A CA 1.770 53.878 52.037 0.118 0.000 0.616 433 A CB -1.035 18.029 19.000 0.107 0.000 0.823 433 A HN 0.518 nan 8.150 nan 0.000 0.442 434 S N -0.085 115.654 115.700 0.065 0.000 2.368 434 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 434 S C 1.829 176.508 174.600 0.132 0.000 1.030 434 S CA 1.485 59.727 58.200 0.071 0.000 0.999 434 S CB -0.354 62.829 63.200 -0.028 0.000 0.844 434 S HN 0.684 nan 8.310 nan 0.000 0.459 435 E N 1.299 121.555 120.200 0.093 0.000 2.118 435 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 435 E C 2.414 179.076 176.600 0.104 0.000 0.992 435 E CA 1.480 57.933 56.400 0.088 0.000 0.804 435 E CB -0.235 29.503 29.700 0.065 0.000 0.741 435 E HN 0.647 nan 8.360 nan 0.000 0.458 436 S N 0.526 116.300 115.700 0.122 0.000 2.406 436 S HA -0.144 4.326 4.470 -0.000 0.000 0.228 436 S C 1.881 176.567 174.600 0.144 0.000 1.020 436 S CA 0.453 58.725 58.200 0.119 0.000 0.965 436 S CB -0.430 62.847 63.200 0.127 0.000 0.798 436 S HN 0.305 nan 8.310 nan 0.000 0.488 437 F N 2.156 122.146 119.950 0.066 0.000 2.186 437 F HA 0.098 4.625 4.527 -0.000 0.000 0.299 437 F C 2.297 178.160 175.800 0.104 0.000 1.090 437 F CA 1.196 59.252 58.000 0.093 0.000 1.307 437 F CB -0.287 38.747 39.000 0.057 0.000 1.019 437 F HN 0.078 nan 8.300 nan 0.000 0.489 438 M N 0.222 119.908 119.600 0.143 0.000 2.149 438 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 438 M C 2.179 178.445 176.300 -0.057 0.000 1.064 438 M CA 1.561 56.887 55.300 0.044 0.000 1.102 438 M CB -1.103 31.548 32.600 0.085 0.000 1.369 438 M HN 0.095 nan 8.290 nan 0.000 0.408 439 K N -0.556 119.834 120.400 -0.016 0.000 2.148 439 K HA -0.178 4.142 4.320 -0.000 0.000 0.204 439 K C 1.911 178.486 176.600 -0.042 0.000 1.050 439 K CA 1.416 57.694 56.287 -0.015 0.000 0.942 439 K CB -0.434 32.081 32.500 0.025 0.000 0.724 439 K HN 0.291 nan 8.250 nan 0.000 0.446 440 H N 0.135 119.070 119.070 -0.224 0.000 2.293 440 H HA -0.025 4.531 4.556 -0.000 0.000 0.300 440 H C 1.756 176.899 175.328 -0.308 0.000 1.082 440 H CA 2.480 58.352 56.048 -0.293 0.000 1.308 440 H CB -0.135 29.341 29.762 -0.477 0.000 1.375 440 H HN 0.150 nan 8.280 nan 0.000 0.495 441 M N 0.055 119.333 119.600 -0.537 0.000 2.073 441 M HA -0.268 4.212 4.480 -0.000 0.000 0.258 441 M C 2.426 178.619 176.300 -0.178 0.000 1.070 441 M CA 2.162 57.236 55.300 -0.376 0.000 1.103 441 M CB -0.340 32.083 32.600 -0.294 0.000 1.321 441 M HN 0.431 nan 8.290 nan 0.000 0.405 442 Q N 0.009 119.717 119.800 -0.153 0.000 2.173 442 Q HA -0.210 4.130 4.340 -0.000 0.000 0.208 442 Q C 1.707 177.676 176.000 -0.052 0.000 0.989 442 Q CA 1.539 57.293 55.803 -0.081 0.000 0.872 442 Q CB -0.353 28.349 28.738 -0.061 0.000 0.909 442 Q HN 0.535 nan 8.270 nan 0.000 0.420 443 N N 0.295 118.943 118.700 -0.087 0.000 2.171 443 N HA -0.133 4.607 4.740 -0.000 0.000 0.184 443 N C 1.595 177.037 175.510 -0.113 0.000 1.021 443 N CA 1.013 54.024 53.050 -0.065 0.000 0.854 443 N CB -0.163 38.312 38.487 -0.019 0.000 0.994 443 N HN 0.189 nan 8.380 nan 0.000 0.426 444 E N 0.100 120.158 120.200 -0.236 0.000 2.051 444 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 444 E C 1.584 178.095 176.600 -0.149 0.000 0.991 444 E CA 1.125 57.350 56.400 -0.291 0.000 0.799 444 E CB -0.220 29.177 29.700 -0.506 0.000 0.748 444 E HN 0.334 nan 8.360 nan 0.000 0.449 445 Y N 0.293 120.483 120.300 -0.184 0.000 2.133 445 Y HA -0.124 4.426 4.550 -0.000 0.000 0.287 445 Y C 2.531 178.381 175.900 -0.083 0.000 1.134 445 Y CA 1.887 59.923 58.100 -0.107 0.000 1.133 445 Y CB -0.566 37.846 38.460 -0.079 0.000 0.987 445 Y HN 0.018 nan 8.280 nan 0.000 0.502 446 R N 0.537 121.087 120.500 0.084 0.000 2.117 446 R HA -0.198 4.142 4.340 -0.000 0.000 0.243 446 R C 2.044 178.336 176.300 -0.014 0.000 1.143 446 R CA 1.586 57.702 56.100 0.028 0.000 0.968 446 R CB -0.538 29.771 30.300 0.015 0.000 0.863 446 R HN 0.291 nan 8.270 nan 0.000 0.444 447 A N 1.439 124.233 122.820 -0.045 0.000 1.833 447 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 447 A C 2.134 179.667 177.584 -0.085 0.000 1.275 447 A CA 1.425 53.424 52.037 -0.063 0.000 0.602 447 A CB -0.590 18.360 19.000 -0.083 0.000 0.929 447 A HN 0.561 nan 8.150 nan 0.000 0.462 448 R N -1.702 118.717 120.500 -0.135 0.000 2.210 448 R HA 0.323 4.663 4.340 -0.000 0.000 0.203 448 R C 1.167 177.372 176.300 -0.157 0.000 1.010 448 R CA 1.134 57.151 56.100 -0.138 0.000 1.008 448 R CB -0.091 30.114 30.300 -0.159 0.000 0.923 448 R HN 1.089 nan 8.270 nan 0.000 0.469 449 G N -0.399 108.269 108.800 -0.220 0.000 2.192 449 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.193 449 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.193 449 G C 0.131 174.705 174.900 -0.543 0.000 0.999 449 G CA -0.442 44.499 45.100 -0.265 0.000 0.659 449 G HN 0.829 nan 8.290 nan 0.000 0.503 450 G N -1.972 106.391 108.800 -0.729 0.000 2.561 450 G HA2 0.622 4.582 3.960 -0.000 0.000 0.310 450 G HA3 0.622 4.582 3.960 -0.000 0.000 0.310 450 G C -1.209 173.305 174.900 -0.643 0.000 1.292 450 G CA 0.252 44.768 45.100 -0.974 0.000 0.811 450 G HN 1.728 nan 8.290 nan 0.000 0.482 451 C N 1.635 120.814 119.300 -0.203 0.000 3.098 451 C HA 0.472 4.932 4.460 -0.000 0.000 0.391 451 C C -2.739 172.205 174.990 -0.076 0.000 1.088 451 C CA -1.020 57.952 59.018 -0.076 0.000 1.294 451 C CB 0.661 28.432 27.740 0.052 0.000 1.677 451 C HN 0.633 nan 8.230 nan 0.000 0.510 452 P HA 0.372 nan 4.420 nan 0.000 0.266 452 P C -0.468 176.738 177.300 -0.156 0.000 1.215 452 P CA 0.749 63.457 63.100 -0.654 0.000 0.763 452 P CB 0.896 32.157 31.700 -0.732 0.000 0.806 453 A N 3.002 125.796 122.820 -0.043 0.000 2.398 453 A HA 0.401 4.721 4.320 -0.000 0.000 0.301 453 A C -0.748 176.895 177.584 0.098 0.000 1.041 453 A CA -0.557 51.537 52.037 0.095 0.000 0.711 453 A CB 1.220 20.355 19.000 0.226 0.000 1.240 453 A HN 0.443 nan 8.150 nan 0.000 0.420 454 D N 2.316 122.769 120.400 0.090 0.000 2.485 454 D HA 0.101 4.741 4.640 -0.000 0.000 0.229 454 D C 0.861 177.288 176.300 0.212 0.000 1.101 454 D CA -0.547 53.540 54.000 0.145 0.000 0.906 454 D CB 0.218 41.073 40.800 0.093 0.000 1.019 454 D HN 0.643 nan 8.370 nan 0.000 0.516 455 W N 4.648 125.972 121.300 0.039 0.000 2.290 455 W HA -0.287 4.373 4.660 -0.000 0.000 0.323 455 W C 1.765 178.299 176.519 0.025 0.000 1.260 455 W CA 1.444 58.791 57.345 0.003 0.000 1.266 455 W CB -0.110 29.335 29.460 -0.026 0.000 1.149 455 W HN 0.424 nan 8.180 nan 0.000 0.482 456 I N -0.952 119.941 120.570 0.539 0.000 2.236 456 I HA -0.345 3.825 4.170 -0.000 0.000 0.249 456 I C 1.941 178.141 176.117 0.138 0.000 1.102 456 I CA 1.838 63.383 61.300 0.408 0.000 1.365 456 I CB -0.826 37.423 38.000 0.415 0.000 1.051 456 I HN 0.164 nan 8.210 nan 0.000 0.420 457 W N 0.463 121.735 121.300 -0.048 0.000 2.539 457 W HA 0.072 4.732 4.660 -0.000 0.000 0.281 457 W C 2.384 178.774 176.519 -0.215 0.000 1.220 457 W CA 0.374 57.654 57.345 -0.109 0.000 1.332 457 W CB -0.526 28.896 29.460 -0.063 0.000 1.095 457 W HN -0.053 nan 8.180 nan 0.000 0.571 458 L N -0.095 121.073 121.223 -0.092 0.000 2.201 458 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 458 L C 0.616 177.231 176.870 -0.424 0.000 1.105 458 L CA 0.398 55.048 54.840 -0.317 0.000 0.775 458 L CB -1.041 40.746 42.059 -0.453 0.000 0.913 458 L HN -0.374 nan 8.230 nan 0.000 0.440 459 V N 1.347 120.923 119.914 -0.564 0.000 2.470 459 V HA 0.125 4.245 4.120 -0.000 0.000 0.276 459 V C -1.840 174.031 176.094 -0.372 0.000 1.040 459 V CA -1.334 60.615 62.300 -0.586 0.000 1.008 459 V CB 0.513 31.722 31.823 -1.024 0.000 0.990 459 V HN 0.030 nan 8.190 nan 0.000 0.477 460 P HA 0.041 nan 4.420 nan 0.000 0.265 460 P C -1.706 175.468 177.300 -0.210 0.000 1.187 460 P CA -0.791 62.181 63.100 -0.214 0.000 0.766 460 P CB 0.108 31.745 31.700 -0.105 0.000 0.820 461 P HA -0.072 nan 4.420 nan 0.000 0.231 461 P C -0.102 177.101 177.300 -0.161 0.000 1.158 461 P CA 1.081 64.059 63.100 -0.203 0.000 0.763 461 P CB 0.108 31.668 31.700 -0.232 0.000 0.805 462 V N -6.417 113.398 119.914 -0.165 0.000 3.012 462 V HA 0.566 4.686 4.120 -0.000 0.000 0.307 462 V C -0.008 176.063 176.094 -0.038 0.000 1.166 462 V CA -0.946 61.291 62.300 -0.106 0.000 0.974 462 V CB 1.459 33.206 31.823 -0.126 0.000 1.040 462 V HN -0.092 nan 8.190 nan 0.000 0.428 463 S N 1.639 117.323 115.700 -0.026 0.000 3.706 463 S HA -0.165 4.305 4.470 -0.000 0.000 0.363 463 S C 1.484 176.023 174.600 -0.102 0.000 0.999 463 S CA 1.008 59.191 58.200 -0.029 0.000 1.143 463 S CB -1.569 61.663 63.200 0.054 0.000 0.902 463 S HN 2.056 nan 8.310 nan 0.000 0.476 464 G N 2.480 111.211 108.800 -0.115 0.000 2.587 464 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 464 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 464 G C 1.468 176.165 174.900 -0.338 0.000 1.240 464 G CA 1.372 46.403 45.100 -0.116 0.000 0.794 464 G HN 1.250 nan 8.290 nan 0.000 0.580 465 S N 0.461 115.708 115.700 -0.754 0.000 2.507 465 S HA 0.018 4.488 4.470 -0.000 0.000 0.235 465 S C 2.042 176.465 174.600 -0.294 0.000 0.988 465 S CA 0.739 58.470 58.200 -0.782 0.000 0.944 465 S CB -0.101 62.672 63.200 -0.713 0.000 0.762 465 S HN 0.218 nan 8.310 nan 0.000 0.526 466 I N 1.779 122.237 120.570 -0.186 0.000 2.928 466 I HA 0.058 4.228 4.170 -0.000 0.000 0.266 466 I C 0.855 176.933 176.117 -0.064 0.000 1.234 466 I CA 0.521 61.790 61.300 -0.052 0.000 1.483 466 I CB -1.945 36.076 38.000 0.035 0.000 1.097 466 I HN 0.226 nan 8.210 nan 0.000 0.455 467 T N 2.989 117.441 114.554 -0.170 0.000 2.889 467 T HA 0.194 4.544 4.350 -0.000 0.000 0.291 467 T C -1.462 173.119 174.700 -0.198 0.000 0.995 467 T CA -0.930 61.073 62.100 -0.162 0.000 1.092 467 T CB 2.134 70.887 68.868 -0.192 0.000 0.954 467 T HN -0.058 nan 8.240 nan 0.000 0.506 468 P HA -0.089 nan 4.420 nan 0.000 0.218 468 P C 1.696 178.993 177.300 -0.004 0.000 1.149 468 P CA 0.515 63.596 63.100 -0.032 0.000 0.817 468 P CB -0.082 31.644 31.700 0.043 0.000 0.785 469 V N -3.322 116.583 119.914 -0.014 0.000 2.759 469 V HA -0.194 3.926 4.120 -0.000 0.000 0.256 469 V C 1.970 178.069 176.094 0.008 0.000 1.080 469 V CA 1.293 63.591 62.300 -0.003 0.000 1.101 469 V CB -1.808 29.939 31.823 -0.126 0.000 0.698 469 V HN -0.048 nan 8.190 nan 0.000 0.477 470 F N 2.377 122.217 119.950 -0.183 0.000 2.146 470 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 470 F C 2.149 178.213 175.800 0.440 0.000 1.096 470 F CA 2.196 60.234 58.000 0.063 0.000 1.275 470 F CB -0.364 38.575 39.000 -0.103 0.000 1.008 470 F HN 0.350 nan 8.300 nan 0.000 0.480 471 H N -1.523 117.858 119.070 0.518 0.000 2.555 471 H HA 0.118 4.674 4.556 -0.000 0.000 0.283 471 H C 0.025 175.487 175.328 0.224 0.000 1.037 471 H CA -0.341 55.916 56.048 0.349 0.000 1.169 471 H CB -0.013 29.916 29.762 0.279 0.000 1.375 471 H HN 0.122 nan 8.280 nan 0.000 0.582 472 Q N 2.026 122.028 119.800 0.336 0.000 2.348 472 Q HA 0.159 4.499 4.340 -0.000 0.000 0.265 472 Q C -0.876 175.274 176.000 0.250 0.000 0.998 472 Q CA -0.576 55.370 55.803 0.240 0.000 0.831 472 Q CB 0.863 29.725 28.738 0.206 0.000 1.251 472 Q HN 0.318 nan 8.270 nan 0.000 0.456 473 E N 4.313 124.596 120.200 0.138 0.000 2.338 473 E HA 0.411 4.761 4.350 -0.000 0.000 0.272 473 E C -0.323 176.357 176.600 0.133 0.000 1.029 473 E CA 0.018 56.472 56.400 0.090 0.000 0.872 473 E CB 0.752 30.473 29.700 0.036 0.000 1.015 473 E HN 0.664 nan 8.360 nan 0.000 0.417 474 M N 0.658 120.351 119.600 0.155 0.000 2.465 474 M HA 0.420 4.900 4.480 -0.000 0.000 0.284 474 M C -1.738 174.675 176.300 0.189 0.000 1.212 474 M CA -1.220 54.201 55.300 0.201 0.000 0.910 474 M CB 1.173 33.926 32.600 0.255 0.000 1.725 474 M HN 0.138 nan 8.290 nan 0.000 0.477 475 L N 2.614 123.984 121.223 0.244 0.000 2.295 475 L HA 0.490 4.830 4.340 -0.000 0.000 0.285 475 L C -0.415 176.593 176.870 0.230 0.000 1.035 475 L CA 0.032 55.042 54.840 0.283 0.000 0.806 475 L CB 1.243 43.553 42.059 0.419 0.000 1.214 475 L HN 0.777 nan 8.230 nan 0.000 0.426 476 N N 3.297 122.109 118.700 0.186 0.000 2.609 476 N HA 0.340 5.080 4.740 -0.000 0.000 0.234 476 N C -1.556 174.023 175.510 0.114 0.000 1.001 476 N CA -0.314 52.776 53.050 0.067 0.000 0.926 476 N CB 0.105 38.639 38.487 0.077 0.000 1.130 476 N HN 0.379 nan 8.380 nan 0.000 0.510 477 Y N 0.180 120.501 120.300 0.035 0.000 2.512 477 Y HA 0.655 5.205 4.550 -0.000 0.000 0.348 477 Y C -0.667 175.207 175.900 -0.043 0.000 0.990 477 Y CA -1.484 56.609 58.100 -0.013 0.000 1.033 477 Y CB 0.598 39.048 38.460 -0.017 0.000 1.259 477 Y HN -0.078 nan 8.280 nan 0.000 0.461 478 V N 5.137 125.032 119.914 -0.032 0.000 2.408 478 V HA 0.261 4.381 4.120 -0.000 0.000 0.267 478 V C 0.291 176.283 176.094 -0.171 0.000 1.047 478 V CA -0.273 61.805 62.300 -0.370 0.000 0.937 478 V CB 0.196 31.609 31.823 -0.683 0.000 0.999 478 V HN 0.781 nan 8.190 nan 0.000 0.472 479 L N 3.120 124.297 121.223 -0.077 0.000 2.693 479 L HA 0.721 5.061 4.340 -0.000 0.000 0.253 479 L C 0.226 177.126 176.870 0.050 0.000 1.155 479 L CA -0.540 54.329 54.840 0.050 0.000 1.026 479 L CB 1.719 43.850 42.059 0.120 0.000 1.817 479 L HN 0.595 nan 8.230 nan 0.000 0.556 480 S N 0.143 115.901 115.700 0.096 0.000 2.548 480 S HA 0.547 5.017 4.470 -0.000 0.000 0.276 480 S C -2.684 171.993 174.600 0.129 0.000 1.129 480 S CA -1.197 57.072 58.200 0.115 0.000 0.931 480 S CB 1.947 65.192 63.200 0.076 0.000 1.068 480 S HN 0.263 nan 8.310 nan 0.000 0.480 481 P HA 0.410 nan 4.420 nan 0.000 0.274 481 P C -1.033 176.312 177.300 0.075 0.000 1.260 481 P CA -0.249 62.871 63.100 0.034 0.000 0.793 481 P CB 0.360 32.013 31.700 -0.077 0.000 1.048 482 F N -0.987 118.847 119.950 -0.193 0.000 2.693 482 F HA 0.378 4.905 4.527 -0.000 0.000 0.309 482 F C -1.491 174.134 175.800 -0.292 0.000 1.129 482 F CA -0.810 57.032 58.000 -0.264 0.000 0.948 482 F CB 1.275 40.165 39.000 -0.182 0.000 1.315 482 F HN 0.098 nan 8.300 nan 0.000 0.447 483 Y N 4.251 124.200 120.300 -0.584 0.000 2.593 483 Y HA 0.398 4.948 4.550 -0.000 0.000 0.331 483 Y C -0.855 174.905 175.900 -0.232 0.000 0.986 483 Y CA -0.833 57.070 58.100 -0.327 0.000 1.262 483 Y CB -0.061 38.106 38.460 -0.488 0.000 1.098 483 Y HN 0.326 nan 8.280 nan 0.000 0.506 484 Y N 0.955 121.411 120.300 0.259 0.000 2.316 484 Y HA 0.245 4.795 4.550 -0.000 0.000 0.324 484 Y C 0.232 176.250 175.900 0.197 0.000 1.267 484 Y CA -0.734 57.568 58.100 0.336 0.000 1.311 484 Y CB 0.534 39.169 38.460 0.293 0.000 1.267 484 Y HN 0.429 nan 8.280 nan 0.000 0.516 485 Y N 0.815 121.261 120.300 0.243 0.000 2.282 485 Y HA 0.317 4.867 4.550 -0.000 0.000 0.335 485 Y C -0.063 175.911 175.900 0.123 0.000 1.335 485 Y CA -0.494 57.677 58.100 0.118 0.000 1.529 485 Y CB 0.656 39.151 38.460 0.059 0.000 1.429 485 Y HN 0.467 nan 8.280 nan 0.000 0.563 486 Q N -0.508 119.424 119.800 0.219 0.000 2.479 486 Q HA 0.433 4.773 4.340 -0.000 0.000 0.276 486 Q C -1.713 174.284 176.000 -0.005 0.000 0.989 486 Q CA -0.860 54.999 55.803 0.093 0.000 0.864 486 Q CB 1.315 30.087 28.738 0.058 0.000 1.444 486 Q HN 0.578 nan 8.270 nan 0.000 0.388 487 I N 2.094 122.630 120.570 -0.056 0.000 2.821 487 I HA -0.095 4.075 4.170 -0.000 0.000 0.294 487 I C 0.368 176.301 176.117 -0.307 0.000 1.210 487 I CA 0.498 61.708 61.300 -0.150 0.000 1.430 487 I CB 0.159 38.079 38.000 -0.133 0.000 1.356 487 I HN 0.576 nan 8.210 nan 0.000 0.563 488 E N 9.403 129.315 120.200 -0.480 0.000 2.606 488 E HA -0.071 4.279 4.350 -0.000 0.000 0.248 488 E C -1.281 174.724 176.600 -0.992 0.000 1.005 488 E CA -0.970 54.856 56.400 -0.956 0.000 0.946 488 E CB 0.143 28.913 29.700 -1.549 0.000 0.928 488 E HN 0.466 nan 8.360 nan 0.000 0.494 489 P HA -0.217 nan 4.420 nan 0.000 0.217 489 P C 0.904 177.709 177.300 -0.826 0.000 1.148 489 P CA 1.559 64.154 63.100 -0.841 0.000 0.834 489 P CB -0.186 30.792 31.700 -1.204 0.000 0.783 490 W N 0.673 121.464 121.300 -0.848 0.000 2.721 490 W HA 0.144 4.804 4.660 -0.000 0.000 0.245 490 W C 1.660 178.185 176.519 0.009 0.000 1.276 490 W CA 0.281 57.439 57.345 -0.312 0.000 1.342 490 W CB -1.143 28.330 29.460 0.022 0.000 1.135 490 W HN -0.097 nan 8.180 nan 0.000 0.654 491 K N 0.506 120.741 120.400 -0.276 0.000 2.166 491 K HA 0.024 4.344 4.320 -0.000 0.000 0.201 491 K C 1.049 177.641 176.600 -0.013 0.000 1.052 491 K CA 1.467 57.679 56.287 -0.125 0.000 0.969 491 K CB -0.237 32.104 32.500 -0.265 0.000 0.761 491 K HN 0.135 nan 8.250 nan 0.000 0.459 492 T N -0.720 113.804 114.554 -0.049 0.000 3.278 492 T HA 0.218 4.568 4.350 -0.000 0.000 0.246 492 T C -0.824 173.966 174.700 0.151 0.000 1.281 492 T CA -0.672 61.444 62.100 0.027 0.000 1.281 492 T CB -0.215 68.636 68.868 -0.029 0.000 1.064 492 T HN 0.048 nan 8.240 nan 0.000 0.628 493 H N 0.386 119.535 119.070 0.130 0.000 2.768 493 H HA 0.613 5.169 4.556 -0.000 0.000 0.371 493 H C -0.641 174.825 175.328 0.228 0.000 1.151 493 H CA -1.197 54.962 56.048 0.185 0.000 1.165 493 H CB 1.274 31.219 29.762 0.305 0.000 1.722 493 H HN 0.363 nan 8.280 nan 0.000 0.543 494 I N 3.029 123.164 120.570 -0.726 0.000 2.575 494 I HA 0.008 4.178 4.170 -0.000 0.000 0.285 494 I C -0.495 175.294 176.117 -0.546 0.000 1.085 494 I CA 0.288 61.300 61.300 -0.481 0.000 1.403 494 I CB 0.600 38.310 38.000 -0.482 0.000 1.409 494 I HN 0.470 nan 8.210 nan 0.000 0.557 495 W N 6.425 127.657 121.300 -0.113 0.000 2.413 495 W HA 0.335 4.995 4.660 -0.000 0.000 0.308 495 W C -0.088 176.418 176.519 -0.020 0.000 0.997 495 W CA -0.520 56.810 57.345 -0.025 0.000 1.447 495 W CB 0.841 30.320 29.460 0.031 0.000 1.263 495 W HN 0.430 nan 8.180 nan 0.000 0.416 496 Q N 0.000 119.816 119.800 0.026 0.000 2.315 496 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 496 Q CA 0.000 55.823 55.803 0.034 0.000 1.022 496 Q CB 0.000 28.722 28.738 -0.027 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481