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 1vaf_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.160 176.000 0.267 0.000 1.003 77 Q CA 0.000 55.833 55.803 0.050 0.000 1.022 77 Q CB 0.000 28.692 28.738 -0.077 0.000 1.108 78 Y N -2.338 118.091 120.300 0.215 0.000 2.889 78 Y HA 0.896 5.446 4.550 -0.000 0.000 0.317 78 Y C -1.250 174.725 175.900 0.125 0.000 1.414 78 Y CA -1.297 56.909 58.100 0.177 0.000 1.091 78 Y CB 0.689 39.249 38.460 0.167 0.000 1.358 78 Y HN 0.292 nan 8.280 nan 0.000 0.487 79 V N 1.812 122.004 119.914 0.464 0.000 2.488 79 V HA 0.442 4.562 4.120 -0.000 0.000 0.293 79 V C -0.381 175.773 176.094 0.100 0.000 1.027 79 V CA -0.909 61.515 62.300 0.207 0.000 0.862 79 V CB 1.313 33.059 31.823 -0.127 0.000 1.008 79 V HN 0.758 nan 8.190 nan 0.000 0.428 80 R N 4.720 125.278 120.500 0.095 0.000 2.421 80 R HA 0.337 4.677 4.340 -0.000 0.000 0.305 80 R C -0.894 175.301 176.300 -0.174 0.000 1.039 80 R CA 0.020 56.008 56.100 -0.186 0.000 1.003 80 R CB 0.286 30.535 30.300 -0.085 0.000 0.959 80 R HN 0.522 nan 8.270 nan 0.000 0.427 81 I N 4.705 125.109 120.570 -0.277 0.000 2.406 81 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 81 I C -0.214 175.743 176.117 -0.267 0.000 0.999 81 I CA -0.534 60.641 61.300 -0.209 0.000 1.124 81 I CB 1.557 39.426 38.000 -0.218 0.000 1.289 81 I HN 0.626 nan 8.210 nan 0.000 0.441 82 K N 4.622 124.897 120.400 -0.209 0.000 2.259 82 K HA 0.440 4.760 4.320 -0.000 0.000 0.252 82 K C -0.710 175.723 176.600 -0.277 0.000 0.936 82 K CA -0.598 55.484 56.287 -0.341 0.000 0.810 82 K CB 1.741 33.901 32.500 -0.567 0.000 1.143 82 K HN 0.515 nan 8.250 nan 0.000 0.427 83 N N 3.694 122.219 118.700 -0.292 0.000 2.621 83 N HA 0.192 4.931 4.740 -0.000 0.000 0.237 83 N C -0.707 174.732 175.510 -0.118 0.000 0.997 83 N CA -0.685 52.318 53.050 -0.079 0.000 0.918 83 N CB 0.402 38.870 38.487 -0.033 0.000 1.122 83 N HN 0.585 nan 8.380 nan 0.000 0.510 84 W N 2.205 123.556 121.300 0.084 0.000 2.874 84 W HA 0.201 4.860 4.660 -0.000 0.000 0.242 84 W C 1.716 178.283 176.519 0.080 0.000 1.285 84 W CA -0.005 57.394 57.345 0.091 0.000 1.379 84 W CB -0.144 29.394 29.460 0.131 0.000 1.137 84 W HN 0.644 nan 8.180 nan 0.000 0.683 85 G N -0.217 108.700 108.800 0.195 0.000 2.524 85 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.210 85 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.210 85 G C 1.536 176.443 174.900 0.012 0.000 1.187 85 G CA 0.879 46.013 45.100 0.056 0.000 0.825 85 G HN 0.253 nan 8.290 nan 0.000 0.558 86 S N -0.693 115.006 115.700 -0.002 0.000 2.517 86 S HA 0.364 4.834 4.470 -0.000 0.000 0.214 86 S C 1.910 176.470 174.600 -0.067 0.000 0.991 86 S CA 1.091 59.272 58.200 -0.031 0.000 0.906 86 S CB 0.244 63.424 63.200 -0.034 0.000 0.789 86 S HN 1.586 nan 8.310 nan 0.000 0.513 87 G N 1.007 109.745 108.800 -0.104 0.000 2.189 87 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.267 87 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.267 87 G C -0.209 174.561 174.900 -0.217 0.000 0.975 87 G CA 0.387 45.374 45.100 -0.189 0.000 0.644 87 G HN 0.631 nan 8.290 nan 0.000 0.537 88 E N -0.459 119.636 120.200 -0.176 0.000 2.373 88 E HA 0.514 4.864 4.350 -0.000 0.000 0.267 88 E C 0.027 176.482 176.600 -0.241 0.000 1.032 88 E CA -0.434 55.860 56.400 -0.177 0.000 0.889 88 E CB 0.926 30.545 29.700 -0.135 0.000 0.984 88 E HN 0.223 nan 8.360 nan 0.000 0.425 89 I N 2.987 123.409 120.570 -0.246 0.000 2.525 89 I HA 0.332 4.502 4.170 -0.000 0.000 0.301 89 I C -0.460 175.433 176.117 -0.373 0.000 0.992 89 I CA -0.194 60.906 61.300 -0.334 0.000 1.162 89 I CB 0.990 38.786 38.000 -0.340 0.000 1.332 89 I HN 0.364 nan 8.210 nan 0.000 0.458 90 L N 4.850 125.770 121.223 -0.505 0.000 2.327 90 L HA 0.539 4.879 4.340 -0.000 0.000 0.258 90 L C -1.461 175.026 176.870 -0.639 0.000 1.024 90 L CA -1.026 53.531 54.840 -0.471 0.000 0.825 90 L CB 2.116 43.806 42.059 -0.615 0.000 1.386 90 L HN 0.516 nan 8.230 nan 0.000 0.417 91 H N -0.515 118.428 119.070 -0.210 0.000 2.860 91 H HA 0.232 4.788 4.556 -0.000 0.000 0.312 91 H C -1.067 174.294 175.328 0.055 0.000 0.995 91 H CA -0.685 55.213 56.048 -0.251 0.000 1.311 91 H CB 1.226 30.578 29.762 -0.683 0.000 1.478 91 H HN 0.326 nan 8.280 nan 0.000 0.508 92 D N 2.164 122.691 120.400 0.213 0.000 2.343 92 D HA 0.011 4.651 4.640 -0.000 0.000 0.255 92 D C 0.833 177.178 176.300 0.074 0.000 1.187 92 D CA 0.230 54.353 54.000 0.204 0.000 0.875 92 D CB 1.124 42.002 40.800 0.129 0.000 1.136 92 D HN 0.747 nan 8.370 nan 0.000 0.469 93 T N 1.078 115.656 114.554 0.040 0.000 2.955 93 T HA -0.041 4.309 4.350 -0.000 0.000 0.251 93 T C 1.879 176.444 174.700 -0.225 0.000 1.002 93 T CA -0.235 61.822 62.100 -0.071 0.000 0.970 93 T CB -0.073 68.819 68.868 0.040 0.000 1.091 93 T HN 0.252 nan 8.240 nan 0.000 0.495 94 L N 3.096 124.242 121.223 -0.128 0.000 2.131 94 L HA -0.072 4.267 4.340 -0.000 0.000 0.210 94 L C 2.526 179.201 176.870 -0.326 0.000 1.092 94 L CA 2.028 56.773 54.840 -0.158 0.000 0.759 94 L CB -0.852 41.148 42.059 -0.098 0.000 0.903 94 L HN 0.590 nan 8.230 nan 0.000 0.435 95 H N -2.285 116.300 119.070 -0.809 0.000 2.541 95 H HA -0.189 4.367 4.556 -0.000 0.000 0.289 95 H C 1.664 176.715 175.328 -0.462 0.000 1.054 95 H CA 1.855 57.187 56.048 -1.193 0.000 1.250 95 H CB -1.225 27.860 29.762 -1.128 0.000 1.369 95 H HN 0.628 nan 8.280 nan 0.000 0.578 96 H N 0.915 119.567 119.070 -0.696 0.000 2.389 96 H HA -0.007 4.549 4.556 -0.000 0.000 0.299 96 H C 1.382 176.554 175.328 -0.260 0.000 1.081 96 H CA 0.882 56.623 56.048 -0.511 0.000 1.345 96 H CB 0.368 29.910 29.762 -0.367 0.000 1.393 96 H HN 0.255 nan 8.280 nan 0.000 0.520 97 K N 0.963 121.323 120.400 -0.066 0.000 2.551 97 K HA 0.126 4.446 4.320 -0.000 0.000 0.192 97 K C 0.285 176.879 176.600 -0.011 0.000 1.027 97 K CA 0.119 56.395 56.287 -0.018 0.000 1.059 97 K CB 0.287 32.792 32.500 0.008 0.000 0.831 97 K HN 0.200 nan 8.250 nan 0.000 0.508 98 A N 1.426 124.217 122.820 -0.048 0.000 2.546 98 A HA 0.085 4.405 4.320 -0.000 0.000 0.243 98 A C 1.388 178.985 177.584 0.021 0.000 1.063 98 A CA 0.237 52.278 52.037 0.006 0.000 0.757 98 A CB -0.161 18.842 19.000 0.005 0.000 0.991 98 A HN 0.493 nan 8.150 nan 0.000 0.503 99 T N 1.531 116.098 114.554 0.021 0.000 4.341 99 T HA -0.004 4.346 4.350 -0.000 0.000 0.204 99 T C 1.328 176.058 174.700 0.049 0.000 1.078 99 T CA 1.219 63.337 62.100 0.031 0.000 1.921 99 T CB -0.768 68.097 68.868 -0.005 0.000 1.129 99 T HN 1.119 nan 8.240 nan 0.000 0.308 100 S N 0.524 116.255 115.700 0.051 0.000 2.641 100 S HA 0.215 4.685 4.470 -0.000 0.000 0.261 100 S C -0.273 174.378 174.600 0.085 0.000 1.257 100 S CA -0.800 57.436 58.200 0.060 0.000 0.983 100 S CB -0.395 62.835 63.200 0.050 0.000 0.990 100 S HN 0.557 nan 8.310 nan 0.000 0.572 101 D N 0.978 121.429 120.400 0.085 0.000 2.372 101 D HA 0.212 4.852 4.640 -0.000 0.000 0.243 101 D C -0.021 176.380 176.300 0.168 0.000 1.121 101 D CA 0.002 54.073 54.000 0.120 0.000 0.898 101 D CB 0.369 41.217 40.800 0.081 0.000 1.202 101 D HN 0.401 nan 8.370 nan 0.000 0.428 102 F N 0.735 120.715 119.950 0.050 0.000 2.173 102 F HA 0.013 4.540 4.527 -0.000 0.000 0.280 102 F C 1.919 177.753 175.800 0.057 0.000 1.175 102 F CA -0.124 57.910 58.000 0.056 0.000 1.166 102 F CB -0.094 38.954 39.000 0.081 0.000 1.589 102 F HN 0.200 nan 8.300 nan 0.000 0.513 103 T N 0.429 114.164 114.554 -1.364 0.000 2.746 103 T HA -0.093 4.256 4.350 -0.000 0.000 0.267 103 T C 0.779 175.271 174.700 -0.346 0.000 1.039 103 T CA 1.139 62.743 62.100 -0.827 0.000 1.142 103 T CB -0.789 67.464 68.868 -1.025 0.000 0.866 103 T HN 0.436 nan 8.240 nan 0.000 0.444 104 C N 3.496 122.672 119.300 -0.207 0.000 2.593 104 C HA 0.376 4.836 4.460 -0.000 0.000 0.409 104 C C 1.061 176.066 174.990 0.025 0.000 1.304 104 C CA -1.518 57.494 59.018 -0.011 0.000 2.007 104 C CB 0.054 27.860 27.740 0.110 0.000 2.614 104 C HN 0.328 nan 8.230 nan 0.000 0.585 105 K N 1.844 122.255 120.400 0.017 0.000 2.136 105 K HA 0.138 4.458 4.320 -0.000 0.000 0.237 105 K C 1.440 178.065 176.600 0.040 0.000 1.048 105 K CA 0.120 56.421 56.287 0.023 0.000 0.880 105 K CB 0.183 32.691 32.500 0.014 0.000 1.105 105 K HN 0.835 nan 8.250 nan 0.000 0.507 106 S N 0.267 115.988 115.700 0.036 0.000 2.371 106 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 106 S C 1.338 175.959 174.600 0.035 0.000 1.029 106 S CA 1.092 59.316 58.200 0.040 0.000 0.978 106 S CB -0.199 63.020 63.200 0.032 0.000 0.833 106 S HN 0.628 nan 8.310 nan 0.000 0.466 107 K N 0.364 120.779 120.400 0.027 0.000 2.358 107 K HA 0.378 4.698 4.320 -0.000 0.000 0.197 107 K C 0.483 177.095 176.600 0.021 0.000 1.025 107 K CA 0.015 56.316 56.287 0.022 0.000 1.104 107 K CB 0.333 32.843 32.500 0.017 0.000 0.855 107 K HN 0.229 nan 8.250 nan 0.000 0.531 108 S N 0.163 115.877 115.700 0.023 0.000 2.599 108 S HA 0.470 4.940 4.470 -0.000 0.000 0.287 108 S C -1.632 172.986 174.600 0.030 0.000 1.105 108 S CA -0.750 57.463 58.200 0.021 0.000 0.899 108 S CB 1.961 65.169 63.200 0.015 0.000 1.100 108 S HN 0.358 nan 8.310 nan 0.000 0.482 109 C N 4.758 124.077 119.300 0.031 0.000 2.369 109 C HA 0.750 5.210 4.460 -0.000 0.000 0.322 109 C C -0.530 174.484 174.990 0.039 0.000 1.258 109 C CA -0.645 58.401 59.018 0.046 0.000 1.487 109 C CB -0.639 27.133 27.740 0.054 0.000 2.165 109 C HN 0.826 nan 8.230 nan 0.000 0.483 110 L N 5.711 126.953 121.223 0.033 0.000 3.141 110 L HA 0.399 4.739 4.340 -0.000 0.000 0.267 110 L C 1.874 178.777 176.870 0.055 0.000 1.281 110 L CA 0.438 55.294 54.840 0.026 0.000 1.037 110 L CB -0.207 41.843 42.059 -0.013 0.000 1.407 110 L HN 0.896 nan 8.230 nan 0.000 0.566 111 G N 0.023 108.891 108.800 0.113 0.000 2.586 111 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.215 111 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.215 111 G C 1.334 176.358 174.900 0.208 0.000 1.128 111 G CA 1.072 46.292 45.100 0.201 0.000 0.774 111 G HN 0.527 nan 8.290 nan 0.000 0.543 112 S N -0.280 115.513 115.700 0.155 0.000 2.557 112 S HA 0.350 4.819 4.470 -0.000 0.000 0.223 112 S C 0.572 175.266 174.600 0.156 0.000 0.969 112 S CA -0.599 57.702 58.200 0.168 0.000 0.927 112 S CB 0.174 63.448 63.200 0.123 0.000 0.806 112 S HN -0.004 nan 8.310 nan 0.000 0.489 113 I N 3.071 123.720 120.570 0.132 0.000 2.452 113 I HA 0.184 4.354 4.170 -0.000 0.000 0.287 113 I C 1.657 177.871 176.117 0.162 0.000 1.079 113 I CA -0.286 61.079 61.300 0.109 0.000 1.387 113 I CB 0.030 38.062 38.000 0.054 0.000 1.404 113 I HN 0.247 nan 8.210 nan 0.000 0.522 114 M N 5.356 125.057 119.600 0.168 0.000 2.180 114 M HA -0.213 4.267 4.480 -0.000 0.000 0.260 114 M C 0.496 176.894 176.300 0.164 0.000 1.071 114 M CA 2.035 57.468 55.300 0.220 0.000 1.096 114 M CB -0.697 31.994 32.600 0.152 0.000 1.276 114 M HN 0.539 nan 8.290 nan 0.000 0.426 115 N N 0.880 119.616 118.700 0.061 0.000 3.114 115 N HA 0.230 4.970 4.740 -0.000 0.000 0.289 115 N C -2.385 173.174 175.510 0.081 0.000 1.519 115 N CA -0.917 52.146 53.050 0.021 0.000 1.026 115 N CB 0.526 38.922 38.487 -0.152 0.000 1.306 115 N HN 0.267 nan 8.380 nan 0.000 0.495 116 P HA 0.047 nan 4.420 nan 0.000 0.271 116 P C 0.175 177.520 177.300 0.073 0.000 1.218 116 P CA -0.235 62.892 63.100 0.046 0.000 0.780 116 P CB 1.647 33.328 31.700 -0.032 0.000 0.901 117 K N 0.929 121.348 120.400 0.031 0.000 2.160 117 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 117 K C 2.152 178.792 176.600 0.066 0.000 1.047 117 K CA 1.606 57.918 56.287 0.042 0.000 0.930 117 K CB -0.422 32.083 32.500 0.009 0.000 0.720 117 K HN 0.410 nan 8.250 nan 0.000 0.450 118 S N 1.304 117.021 115.700 0.028 0.000 2.380 118 S HA -0.150 4.320 4.470 -0.000 0.000 0.229 118 S C 1.629 176.351 174.600 0.203 0.000 1.043 118 S CA 1.255 59.489 58.200 0.057 0.000 1.038 118 S CB -0.119 63.021 63.200 -0.099 0.000 0.872 118 S HN 0.124 nan 8.310 nan 0.000 0.456 119 L N 0.853 122.225 121.223 0.248 0.000 2.567 119 L HA 0.234 4.574 4.340 -0.000 0.000 0.225 119 L C 0.922 178.074 176.870 0.472 0.000 1.119 119 L CA 0.800 55.858 54.840 0.363 0.000 0.871 119 L CB -0.956 41.267 42.059 0.274 0.000 1.036 119 L HN 0.148 nan 8.230 nan 0.000 0.459 120 T N -0.565 114.202 114.554 0.354 0.000 2.902 120 T HA 0.530 4.880 4.350 -0.000 0.000 0.280 120 T C -0.024 174.738 174.700 0.103 0.000 0.992 120 T CA -0.394 61.876 62.100 0.283 0.000 1.015 120 T CB 1.767 70.745 68.868 0.183 0.000 1.044 120 T HN -0.109 nan 8.240 nan 0.000 0.520 121 R N 0.719 121.240 120.500 0.036 0.000 2.921 121 R HA 0.471 4.811 4.340 -0.000 0.000 0.269 121 R C 0.066 176.333 176.300 -0.054 0.000 1.696 121 R CA -0.257 55.762 56.100 -0.135 0.000 1.161 121 R CB 0.212 30.320 30.300 -0.321 0.000 1.337 121 R HN 0.831 nan 8.270 nan 0.000 0.496 122 G N 2.610 111.376 108.800 -0.057 0.000 2.508 122 G HA2 0.406 4.366 3.960 -0.000 0.000 0.278 122 G HA3 0.406 4.366 3.960 -0.000 0.000 0.278 122 G C -1.969 172.898 174.900 -0.054 0.000 1.389 122 G CA -1.108 43.961 45.100 -0.051 0.000 1.050 122 G HN 0.441 nan 8.290 nan 0.000 0.522 123 P HA 0.240 nan 4.420 nan 0.000 0.272 123 P C -0.457 176.815 177.300 -0.046 0.000 1.243 123 P CA 0.150 63.219 63.100 -0.052 0.000 0.803 123 P CB 0.399 32.063 31.700 -0.059 0.000 0.974 124 R N 0.357 120.830 120.500 -0.044 0.000 2.566 124 R HA 0.178 4.518 4.340 -0.000 0.000 0.271 124 R C -0.503 175.769 176.300 -0.046 0.000 1.071 124 R CA -0.530 55.545 56.100 -0.041 0.000 0.915 124 R CB 1.540 31.819 30.300 -0.036 0.000 1.228 124 R HN 0.315 nan 8.270 nan 0.000 0.449 125 D N 1.031 121.406 120.400 -0.041 0.000 2.240 125 D HA -0.034 4.606 4.640 -0.000 0.000 0.206 125 D C 0.257 176.531 176.300 -0.045 0.000 0.963 125 D CA 1.228 55.201 54.000 -0.045 0.000 0.863 125 D CB 0.510 41.289 40.800 -0.035 0.000 0.973 125 D HN 0.374 nan 8.370 nan 0.000 0.501 126 K N -0.646 119.735 120.400 -0.032 0.000 2.372 126 K HA 0.602 4.922 4.320 -0.000 0.000 0.251 126 K C -3.025 173.566 176.600 -0.015 0.000 1.055 126 K CA -1.801 54.473 56.287 -0.022 0.000 0.879 126 K CB 1.529 34.020 32.500 -0.014 0.000 1.384 126 K HN -0.354 nan 8.250 nan 0.000 0.465 127 P HA -0.007 nan 4.420 nan 0.000 0.272 127 P C -0.813 176.488 177.300 0.001 0.000 1.240 127 P CA -0.237 62.865 63.100 0.003 0.000 0.791 127 P CB 0.580 32.288 31.700 0.014 0.000 0.978 128 T N 0.341 114.899 114.554 0.006 0.000 2.814 128 T HA 0.265 4.615 4.350 -0.000 0.000 0.297 128 T C -2.283 172.421 174.700 0.008 0.000 0.956 128 T CA -1.711 60.394 62.100 0.008 0.000 1.123 128 T CB -0.548 68.333 68.868 0.022 0.000 0.902 128 T HN 0.129 nan 8.240 nan 0.000 0.528 129 P HA 0.007 nan 4.420 nan 0.000 0.258 129 P C 1.211 178.503 177.300 -0.014 0.000 1.172 129 P CA -0.069 63.025 63.100 -0.009 0.000 0.762 129 P CB 0.264 31.956 31.700 -0.014 0.000 0.764 130 L N 4.409 125.623 121.223 -0.014 0.000 2.137 130 L HA -0.273 4.067 4.340 -0.000 0.000 0.213 130 L C 2.016 178.860 176.870 -0.043 0.000 1.085 130 L CA 1.645 56.471 54.840 -0.023 0.000 0.760 130 L CB -0.351 41.696 42.059 -0.020 0.000 0.893 130 L HN 0.392 nan 8.230 nan 0.000 0.434 131 E N 0.969 121.143 120.200 -0.043 0.000 2.097 131 E HA -0.315 4.035 4.350 -0.000 0.000 0.196 131 E C 1.632 178.177 176.600 -0.091 0.000 1.000 131 E CA 2.188 58.554 56.400 -0.057 0.000 0.804 131 E CB -0.541 29.132 29.700 -0.045 0.000 0.740 131 E HN 0.889 nan 8.360 nan 0.000 0.454 132 E N 0.309 120.452 120.200 -0.096 0.000 2.431 132 E HA 0.075 4.425 4.350 -0.000 0.000 0.200 132 E C 2.154 178.626 176.600 -0.214 0.000 0.995 132 E CA -0.090 56.203 56.400 -0.178 0.000 0.915 132 E CB -0.193 29.442 29.700 -0.108 0.000 0.930 132 E HN 0.125 nan 8.360 nan 0.000 0.496 133 L N 1.227 122.406 121.223 -0.073 0.000 2.007 133 L HA -0.019 4.321 4.340 -0.000 0.000 0.205 133 L C 2.132 178.977 176.870 -0.042 0.000 1.073 133 L CA 1.347 56.190 54.840 0.005 0.000 0.744 133 L CB -0.663 41.414 42.059 0.030 0.000 0.898 133 L HN 0.271 nan 8.230 nan 0.000 0.435 134 L N 0.560 121.732 121.223 -0.086 0.000 2.051 134 L HA -0.126 4.214 4.340 -0.000 0.000 0.214 134 L C -0.544 176.277 176.870 -0.082 0.000 1.076 134 L CA 2.238 57.015 54.840 -0.105 0.000 0.758 134 L CB -2.062 39.942 42.059 -0.092 0.000 0.890 134 L HN 0.225 nan 8.230 nan 0.000 0.433 135 P HA -0.107 nan 4.420 nan 0.000 0.216 135 P C 1.284 178.593 177.300 0.015 0.000 1.153 135 P CA 1.435 64.480 63.100 -0.092 0.000 0.844 135 P CB -0.144 31.445 31.700 -0.184 0.000 0.787 136 H N -0.218 118.880 119.070 0.047 0.000 2.299 136 H HA 0.033 4.589 4.556 -0.000 0.000 0.302 136 H C 2.037 177.454 175.328 0.148 0.000 1.078 136 H CA 1.528 57.633 56.048 0.095 0.000 1.323 136 H CB -1.224 28.591 29.762 0.089 0.000 1.381 136 H HN 0.008 nan 8.280 nan 0.000 0.498 137 A N 1.240 124.199 122.820 0.232 0.000 1.927 137 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 137 A C 2.683 180.386 177.584 0.199 0.000 1.185 137 A CA 1.787 53.926 52.037 0.170 0.000 0.639 137 A CB -0.951 17.859 19.000 -0.318 0.000 0.820 137 A HN 0.355 nan 8.150 nan 0.000 0.451 138 I N -1.063 119.575 120.570 0.113 0.000 2.252 138 I HA -0.173 3.996 4.170 -0.000 0.000 0.245 138 I C 2.616 178.838 176.117 0.174 0.000 1.102 138 I CA 1.310 62.678 61.300 0.113 0.000 1.385 138 I CB -0.370 37.660 38.000 0.051 0.000 1.064 138 I HN 0.336 nan 8.210 nan 0.000 0.414 139 E N 1.184 121.507 120.200 0.204 0.000 2.077 139 E HA -0.257 4.092 4.350 -0.000 0.000 0.193 139 E C 2.071 178.836 176.600 0.275 0.000 0.989 139 E CA 1.540 58.071 56.400 0.217 0.000 0.800 139 E CB -0.257 29.583 29.700 0.234 0.000 0.746 139 E HN 0.403 nan 8.360 nan 0.000 0.452 140 F N 1.397 121.467 119.950 0.201 0.000 2.075 140 F HA -0.191 4.336 4.527 -0.000 0.000 0.297 140 F C 2.158 178.111 175.800 0.255 0.000 1.113 140 F CA 1.049 59.193 58.000 0.241 0.000 1.218 140 F CB -0.447 38.706 39.000 0.256 0.000 0.984 140 F HN -0.050 nan 8.300 nan 0.000 0.472 141 I N 1.170 121.782 120.570 0.070 0.000 2.151 141 I HA -0.371 3.798 4.170 -0.000 0.000 0.243 141 I C 2.194 178.344 176.117 0.053 0.000 1.080 141 I CA 1.500 62.816 61.300 0.028 0.000 1.339 141 I CB -1.681 36.446 38.000 0.212 0.000 1.039 141 I HN 0.281 nan 8.210 nan 0.000 0.409 142 N N 0.721 119.498 118.700 0.128 0.000 2.025 142 N HA -0.259 4.481 4.740 -0.000 0.000 0.194 142 N C 1.854 177.355 175.510 -0.015 0.000 1.044 142 N CA 1.403 54.542 53.050 0.148 0.000 0.851 142 N CB -0.544 38.064 38.487 0.201 0.000 1.036 142 N HN 0.482 nan 8.380 nan 0.000 0.422 143 Q N -0.160 119.655 119.800 0.026 0.000 2.082 143 Q HA -0.263 4.076 4.340 -0.000 0.000 0.211 143 Q C 2.059 177.993 176.000 -0.111 0.000 1.002 143 Q CA 1.811 57.645 55.803 0.051 0.000 0.868 143 Q CB -0.262 28.600 28.738 0.208 0.000 0.931 143 Q HN 0.457 nan 8.270 nan 0.000 0.414 144 Y N -0.077 119.877 120.300 -0.576 0.000 2.030 144 Y HA -0.325 4.225 4.550 -0.000 0.000 0.274 144 Y C 1.796 177.253 175.900 -0.738 0.000 1.153 144 Y CA 2.235 59.653 58.100 -1.135 0.000 1.115 144 Y CB -0.967 36.757 38.460 -1.227 0.000 0.969 144 Y HN 0.213 nan 8.280 nan 0.000 0.488 145 Y N 0.131 119.940 120.300 -0.818 0.000 2.315 145 Y HA -0.107 4.443 4.550 -0.000 0.000 0.288 145 Y C 2.679 178.193 175.900 -0.644 0.000 1.154 145 Y CA 1.225 58.596 58.100 -1.216 0.000 1.229 145 Y CB -0.954 36.687 38.460 -1.365 0.000 0.980 145 Y HN 0.289 nan 8.280 nan 0.000 0.540 146 G N -1.048 107.593 108.800 -0.265 0.000 2.625 146 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.214 146 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.214 146 G C 1.689 176.583 174.900 -0.010 0.000 1.132 146 G CA 1.059 46.111 45.100 -0.079 0.000 0.782 146 G HN 0.501 nan 8.290 nan 0.000 0.538 147 S N 0.151 115.838 115.700 -0.022 0.000 2.404 147 S HA 0.187 4.657 4.470 -0.000 0.000 0.223 147 S C 0.807 175.453 174.600 0.076 0.000 1.040 147 S CA -0.542 57.684 58.200 0.044 0.000 0.957 147 S CB -0.325 62.862 63.200 -0.022 0.000 0.826 147 S HN 0.007 nan 8.310 nan 0.000 0.491 148 F N 3.608 123.387 119.950 -0.285 0.000 2.568 148 F HA 0.114 4.641 4.527 -0.000 0.000 0.394 148 F C 1.771 177.507 175.800 -0.107 0.000 1.032 148 F CA -0.633 57.241 58.000 -0.209 0.000 1.242 148 F CB 0.095 38.962 39.000 -0.222 0.000 0.966 148 F HN 0.095 nan 8.300 nan 0.000 0.560 149 K N 2.078 122.501 120.400 0.039 0.000 2.059 149 K HA -0.212 4.108 4.320 -0.000 0.000 0.212 149 K C 0.543 177.175 176.600 0.053 0.000 1.050 149 K CA 1.920 58.223 56.287 0.027 0.000 0.927 149 K CB -0.098 32.400 32.500 -0.004 0.000 0.714 149 K HN 0.796 nan 8.250 nan 0.000 0.447 150 E N -0.530 119.718 120.200 0.080 0.000 2.293 150 E HA 0.453 4.803 4.350 -0.000 0.000 0.270 150 E C -0.913 175.745 176.600 0.096 0.000 0.879 150 E CA -0.602 55.838 56.400 0.068 0.000 0.756 150 E CB 1.456 31.182 29.700 0.044 0.000 1.208 150 E HN 0.106 nan 8.360 nan 0.000 0.428 151 A N 2.770 125.617 122.820 0.046 0.000 2.504 151 A HA 0.144 4.464 4.320 -0.000 0.000 0.257 151 A C 0.066 177.646 177.584 -0.006 0.000 1.136 151 A CA 0.343 52.381 52.037 0.001 0.000 0.823 151 A CB 0.081 19.076 19.000 -0.008 0.000 1.085 151 A HN 0.664 nan 8.150 nan 0.000 0.521 152 K N -0.052 120.309 120.400 -0.064 0.000 3.438 152 K HA 0.161 4.481 4.320 -0.000 0.000 0.171 152 K C -0.091 176.448 176.600 -0.102 0.000 1.154 152 K CA -0.214 56.039 56.287 -0.057 0.000 0.728 152 K CB -0.002 32.476 32.500 -0.037 0.000 0.956 152 K HN 0.450 nan 8.250 nan 0.000 0.529 153 I N 1.525 122.049 120.570 -0.076 0.000 2.113 153 I HA -0.421 3.748 4.170 -0.000 0.000 0.242 153 I C 2.689 178.726 176.117 -0.135 0.000 1.057 153 I CA 1.829 63.068 61.300 -0.102 0.000 1.314 153 I CB -0.493 37.451 38.000 -0.094 0.000 1.022 153 I HN 0.469 nan 8.210 nan 0.000 0.408 154 E N 1.977 122.117 120.200 -0.099 0.000 2.070 154 E HA -0.284 4.066 4.350 -0.000 0.000 0.197 154 E C 1.834 178.368 176.600 -0.109 0.000 1.004 154 E CA 2.072 58.418 56.400 -0.090 0.000 0.805 154 E CB -0.942 28.726 29.700 -0.052 0.000 0.744 154 E HN 0.701 nan 8.360 nan 0.000 0.451 155 E N -0.293 119.836 120.200 -0.118 0.000 2.158 155 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 155 E C 2.205 178.575 176.600 -0.384 0.000 0.982 155 E CA 0.803 57.123 56.400 -0.133 0.000 0.823 155 E CB -0.314 29.375 29.700 -0.017 0.000 0.766 155 E HN 0.601 nan 8.360 nan 0.000 0.468 156 H N 0.725 119.358 119.070 -0.728 0.000 2.321 156 H HA -0.076 4.480 4.556 -0.000 0.000 0.300 156 H C 2.176 177.157 175.328 -0.578 0.000 1.087 156 H CA 1.014 56.380 56.048 -1.138 0.000 1.319 156 H CB 0.138 29.434 29.762 -0.777 0.000 1.379 156 H HN 0.056 nan 8.280 nan 0.000 0.501 157 L N 0.314 121.380 121.223 -0.263 0.000 2.083 157 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 157 L C 3.005 179.797 176.870 -0.131 0.000 1.083 157 L CA 0.866 55.577 54.840 -0.216 0.000 0.752 157 L CB -0.456 41.489 42.059 -0.190 0.000 0.899 157 L HN 0.410 nan 8.230 nan 0.000 0.433 158 A N 0.164 122.914 122.820 -0.118 0.000 1.865 158 A HA -0.293 4.027 4.320 -0.000 0.000 0.217 158 A C 2.357 179.923 177.584 -0.029 0.000 1.191 158 A CA 2.143 54.144 52.037 -0.060 0.000 0.623 158 A CB -0.558 18.418 19.000 -0.041 0.000 0.826 158 A HN 0.284 nan 8.150 nan 0.000 0.444 159 R N -0.047 120.430 120.500 -0.037 0.000 2.081 159 R HA -0.006 4.334 4.340 -0.000 0.000 0.235 159 R C 1.957 178.293 176.300 0.060 0.000 1.131 159 R CA 1.560 57.693 56.100 0.056 0.000 0.960 159 R CB -0.928 29.461 30.300 0.148 0.000 0.856 159 R HN 0.552 nan 8.270 nan 0.000 0.436 160 L N 0.083 121.318 121.223 0.019 0.000 2.042 160 L HA -0.206 4.133 4.340 -0.000 0.000 0.210 160 L C 2.497 179.366 176.870 -0.002 0.000 1.076 160 L CA 2.109 56.963 54.840 0.023 0.000 0.749 160 L CB -0.543 41.504 42.059 -0.020 0.000 0.893 160 L HN 0.407 nan 8.230 nan 0.000 0.432 161 E N 0.258 120.448 120.200 -0.018 0.000 2.006 161 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 161 E C 2.213 178.813 176.600 0.001 0.000 0.993 161 E CA 1.269 57.658 56.400 -0.017 0.000 0.808 161 E CB -0.165 29.520 29.700 -0.024 0.000 0.764 161 E HN 0.332 nan 8.360 nan 0.000 0.449 162 A N 0.767 123.598 122.820 0.018 0.000 1.909 162 A HA -0.279 4.040 4.320 -0.000 0.000 0.221 162 A C 2.518 180.130 177.584 0.047 0.000 1.223 162 A CA 2.357 54.418 52.037 0.039 0.000 0.658 162 A CB -1.298 17.738 19.000 0.060 0.000 0.831 162 A HN 0.275 nan 8.150 nan 0.000 0.462 163 V N -0.434 119.513 119.914 0.055 0.000 2.287 163 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 163 V C 2.739 178.795 176.094 -0.063 0.000 1.053 163 V CA 2.594 64.907 62.300 0.023 0.000 1.027 163 V CB -1.501 30.326 31.823 0.006 0.000 0.646 163 V HN 0.674 nan 8.190 nan 0.000 0.447 164 T N -0.150 114.371 114.554 -0.054 0.000 2.622 164 T HA -0.225 4.125 4.350 -0.000 0.000 0.266 164 T C 1.973 176.650 174.700 -0.038 0.000 1.047 164 T CA 1.537 63.600 62.100 -0.062 0.000 1.159 164 T CB -0.307 68.535 68.868 -0.044 0.000 0.863 164 T HN 0.364 nan 8.240 nan 0.000 0.422 165 K N 0.914 121.304 120.400 -0.017 0.000 2.059 165 K HA -0.200 4.120 4.320 -0.000 0.000 0.212 165 K C 2.378 178.982 176.600 0.006 0.000 1.050 165 K CA 1.556 57.840 56.287 -0.004 0.000 0.927 165 K CB -0.434 32.069 32.500 0.004 0.000 0.714 165 K HN 0.527 nan 8.250 nan 0.000 0.447 166 E N 0.754 120.966 120.200 0.020 0.000 2.058 166 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 166 E C 2.147 178.771 176.600 0.040 0.000 0.997 166 E CA 1.085 57.513 56.400 0.047 0.000 0.801 166 E CB -0.054 29.702 29.700 0.093 0.000 0.746 166 E HN 0.253 nan 8.360 nan 0.000 0.450 167 I N 0.912 121.483 120.570 0.001 0.000 2.226 167 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 167 I C 2.242 178.356 176.117 -0.005 0.000 1.100 167 I CA 1.378 62.669 61.300 -0.015 0.000 1.374 167 I CB -0.343 37.589 38.000 -0.113 0.000 1.057 167 I HN 0.171 nan 8.210 nan 0.000 0.413 168 E N 0.402 120.594 120.200 -0.014 0.000 2.072 168 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 168 E C 2.197 178.799 176.600 0.003 0.000 0.985 168 E CA 1.963 58.358 56.400 -0.009 0.000 0.801 168 E CB -0.212 29.479 29.700 -0.015 0.000 0.750 168 E HN 0.603 nan 8.360 nan 0.000 0.452 169 T N -1.244 113.316 114.554 0.010 0.000 2.942 169 T HA -0.075 4.275 4.350 -0.000 0.000 0.265 169 T C 2.114 176.828 174.700 0.024 0.000 1.062 169 T CA 1.462 63.572 62.100 0.016 0.000 1.139 169 T CB -0.246 68.633 68.868 0.018 0.000 0.883 169 T HN 0.223 nan 8.240 nan 0.000 0.468 170 T N -3.227 111.347 114.554 0.033 0.000 2.985 170 T HA 0.538 4.888 4.350 -0.000 0.000 0.254 170 T C 1.913 176.639 174.700 0.044 0.000 1.021 170 T CA 0.673 62.798 62.100 0.041 0.000 0.957 170 T CB 0.051 68.953 68.868 0.055 0.000 1.047 170 T HN 0.884 nan 8.240 nan 0.000 0.511 171 G N 0.262 109.085 108.800 0.039 0.000 2.225 171 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.254 171 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.254 171 G C 0.246 175.183 174.900 0.061 0.000 0.988 171 G CA 0.639 45.762 45.100 0.038 0.000 0.625 171 G HN 0.987 nan 8.290 nan 0.000 0.527 172 T N -1.498 113.113 114.554 0.096 0.000 2.612 172 T HA 0.711 5.061 4.350 -0.000 0.000 0.296 172 T C -1.711 173.165 174.700 0.294 0.000 1.148 172 T CA 0.685 62.891 62.100 0.176 0.000 1.077 172 T CB 1.299 70.236 68.868 0.116 0.000 1.591 172 T HN 1.769 nan 8.240 nan 0.000 0.479 173 Y N -0.455 119.857 120.300 0.019 0.000 2.687 173 Y HA 0.698 5.248 4.550 -0.000 0.000 0.338 173 Y C -1.893 174.029 175.900 0.037 0.000 1.189 173 Y CA -1.274 56.847 58.100 0.035 0.000 1.097 173 Y CB 0.529 39.022 38.460 0.055 0.000 1.342 173 Y HN 0.478 nan 8.280 nan 0.000 0.461 174 Q N 2.577 122.331 119.800 -0.076 0.000 2.309 174 Q HA 0.563 4.903 4.340 -0.000 0.000 0.264 174 Q C -0.883 175.017 176.000 -0.165 0.000 1.008 174 Q CA -0.913 54.796 55.803 -0.158 0.000 0.853 174 Q CB 3.031 31.750 28.738 -0.032 0.000 1.314 174 Q HN 0.867 nan 8.270 nan 0.000 0.448 175 L N 1.425 122.553 121.223 -0.158 0.000 2.395 175 L HA 0.298 4.638 4.340 -0.000 0.000 0.269 175 L C 0.883 177.742 176.870 -0.018 0.000 1.133 175 L CA -0.469 54.331 54.840 -0.068 0.000 0.812 175 L CB 0.915 42.949 42.059 -0.042 0.000 1.125 175 L HN 0.661 nan 8.230 nan 0.000 0.452 176 T N -0.334 114.215 114.554 -0.009 0.000 2.897 176 T HA 0.124 4.474 4.350 -0.000 0.000 0.294 176 T C 1.040 175.719 174.700 -0.034 0.000 1.004 176 T CA -0.776 61.318 62.100 -0.011 0.000 1.106 176 T CB 1.142 70.009 68.868 -0.003 0.000 0.949 176 T HN 0.497 nan 8.240 nan 0.000 0.520 177 L N 1.979 123.188 121.223 -0.024 0.000 2.103 177 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 177 L C 1.646 178.499 176.870 -0.028 0.000 1.080 177 L CA 2.053 56.872 54.840 -0.035 0.000 0.764 177 L CB -1.025 41.016 42.059 -0.030 0.000 0.890 177 L HN 0.791 nan 8.230 nan 0.000 0.435 178 D N -1.034 119.356 120.400 -0.016 0.000 2.317 178 D HA -0.100 4.540 4.640 -0.000 0.000 0.211 178 D C 2.035 178.337 176.300 0.003 0.000 0.966 178 D CA 0.913 54.929 54.000 0.026 0.000 0.876 178 D CB 0.130 40.981 40.800 0.086 0.000 0.927 178 D HN 0.570 nan 8.370 nan 0.000 0.519 179 E N -0.204 119.897 120.200 -0.166 0.000 2.076 179 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 179 E C 1.868 178.586 176.600 0.196 0.000 0.979 179 E CA 0.166 56.467 56.400 -0.165 0.000 0.807 179 E CB 0.009 29.596 29.700 -0.189 0.000 0.761 179 E HN 0.131 nan 8.360 nan 0.000 0.454 180 L N 1.605 122.851 121.223 0.038 0.000 2.012 180 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 180 L C 2.053 178.899 176.870 -0.040 0.000 1.073 180 L CA 1.634 56.437 54.840 -0.062 0.000 0.748 180 L CB -0.345 41.627 42.059 -0.145 0.000 0.891 180 L HN 0.098 nan 8.230 nan 0.000 0.431 181 I N -1.187 119.383 120.570 -0.000 0.000 2.127 181 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 181 I C 2.405 178.582 176.117 0.100 0.000 1.075 181 I CA 1.884 63.188 61.300 0.006 0.000 1.334 181 I CB -0.559 37.446 38.000 0.008 0.000 1.040 181 I HN 0.356 nan 8.210 nan 0.000 0.405 182 F N 1.907 121.906 119.950 0.081 0.000 2.120 182 F HA -0.290 4.237 4.527 -0.000 0.000 0.300 182 F C 2.429 178.360 175.800 0.217 0.000 1.095 182 F CA 1.477 59.588 58.000 0.185 0.000 1.249 182 F CB -0.468 38.724 39.000 0.320 0.000 0.995 182 F HN 0.023 nan 8.300 nan 0.000 0.480 183 A N 0.156 123.067 122.820 0.151 0.000 1.865 183 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 183 A C 2.317 179.787 177.584 -0.190 0.000 1.191 183 A CA 2.926 54.934 52.037 -0.049 0.000 0.623 183 A CB -1.735 17.197 19.000 -0.113 0.000 0.826 183 A HN 0.568 nan 8.150 nan 0.000 0.444 184 T N -1.705 112.767 114.554 -0.137 0.000 2.788 184 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 184 T C 1.779 176.509 174.700 0.050 0.000 1.044 184 T CA 1.717 63.765 62.100 -0.085 0.000 1.139 184 T CB -0.350 68.479 68.868 -0.065 0.000 0.867 184 T HN 0.555 nan 8.240 nan 0.000 0.454 185 K N 0.102 120.542 120.400 0.067 0.000 2.062 185 K HA 0.114 4.434 4.320 -0.000 0.000 0.205 185 K C 2.532 179.292 176.600 0.267 0.000 1.051 185 K CA 1.046 57.480 56.287 0.246 0.000 0.941 185 K CB -0.222 32.362 32.500 0.141 0.000 0.719 185 K HN 0.244 nan 8.250 nan 0.000 0.440 186 M N 0.656 120.241 119.600 -0.024 0.000 2.117 186 M HA -0.102 4.378 4.480 -0.000 0.000 0.262 186 M C 2.403 178.601 176.300 -0.171 0.000 1.065 186 M CA 1.427 56.613 55.300 -0.191 0.000 1.114 186 M CB -1.045 31.279 32.600 -0.461 0.000 1.361 186 M HN 0.145 nan 8.290 nan 0.000 0.408 187 A N -1.280 121.397 122.820 -0.238 0.000 2.070 187 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 187 A C 1.957 179.429 177.584 -0.185 0.000 1.159 187 A CA 1.250 53.008 52.037 -0.464 0.000 0.656 187 A CB -0.958 17.360 19.000 -1.137 0.000 0.800 187 A HN 0.709 nan 8.150 nan 0.000 0.453 188 W N 0.594 121.845 121.300 -0.081 0.000 2.539 188 W HA 0.057 4.716 4.660 -0.000 0.000 0.281 188 W C 2.061 178.534 176.519 -0.075 0.000 1.220 188 W CA 0.913 58.258 57.345 -0.001 0.000 1.332 188 W CB -0.442 29.019 29.460 0.001 0.000 1.095 188 W HN 0.316 nan 8.180 nan 0.000 0.571 189 R N 0.529 120.998 120.500 -0.051 0.000 2.189 189 R HA -0.100 4.240 4.340 -0.000 0.000 0.223 189 R C 0.962 177.108 176.300 -0.257 0.000 1.092 189 R CA 1.405 57.278 56.100 -0.378 0.000 0.989 189 R CB -0.400 29.417 30.300 -0.804 0.000 0.876 189 R HN 0.042 nan 8.270 nan 0.000 0.457 190 N N 0.126 118.731 118.700 -0.159 0.000 2.236 190 N HA 0.074 4.814 4.740 -0.000 0.000 0.196 190 N C -0.684 174.763 175.510 -0.104 0.000 1.114 190 N CA 0.278 53.265 53.050 -0.105 0.000 0.859 190 N CB 1.168 39.640 38.487 -0.026 0.000 0.982 190 N HN 0.115 nan 8.380 nan 0.000 0.493 191 A N 2.649 125.385 122.820 -0.139 0.000 2.444 191 A HA 0.211 4.531 4.320 -0.000 0.000 0.287 191 A C -1.148 176.357 177.584 -0.133 0.000 1.195 191 A CA -0.933 50.961 52.037 -0.238 0.000 0.858 191 A CB 0.344 19.251 19.000 -0.155 0.000 1.117 191 A HN 0.005 nan 8.150 nan 0.000 0.521 192 P HA -0.067 nan 4.420 nan 0.000 0.242 192 P C 0.655 177.891 177.300 -0.107 0.000 1.197 192 P CA 0.811 63.846 63.100 -0.109 0.000 0.765 192 P CB 0.218 31.828 31.700 -0.149 0.000 0.936 193 R N -1.476 118.923 120.500 -0.168 0.000 2.397 193 R HA 0.172 4.512 4.340 -0.000 0.000 0.241 193 R C 0.396 176.697 176.300 0.003 0.000 0.914 193 R CA -0.186 55.837 56.100 -0.128 0.000 1.071 193 R CB -0.023 29.959 30.300 -0.529 0.000 1.116 193 R HN 0.130 nan 8.270 nan 0.000 0.524 194 C N 1.138 120.420 119.300 -0.030 0.000 2.303 194 C HA 0.264 4.724 4.460 -0.000 0.000 0.341 194 C C 1.787 176.751 174.990 -0.043 0.000 1.244 194 C CA -0.818 58.213 59.018 0.021 0.000 1.765 194 C CB -0.517 27.287 27.740 0.106 0.000 2.379 194 C HN 0.469 nan 8.230 nan 0.000 0.530 195 I N 4.784 125.308 120.570 -0.077 0.000 2.676 195 I HA 0.202 4.372 4.170 -0.000 0.000 0.259 195 I C 1.806 177.963 176.117 0.068 0.000 1.194 195 I CA 1.401 62.603 61.300 -0.162 0.000 1.473 195 I CB -0.047 37.884 38.000 -0.114 0.000 1.096 195 I HN 0.864 nan 8.210 nan 0.000 0.443 196 G N -0.081 108.777 108.800 0.097 0.000 4.291 196 G HA2 0.135 4.095 3.960 -0.000 0.000 0.304 196 G HA3 0.135 4.095 3.960 -0.000 0.000 0.304 196 G C 1.098 176.049 174.900 0.085 0.000 1.264 196 G CA -0.414 44.755 45.100 0.115 0.000 1.039 196 G HN 0.187 nan 8.290 nan 0.000 0.578 197 R N -0.157 120.325 120.500 -0.030 0.000 2.307 197 R HA 0.162 4.502 4.340 -0.000 0.000 0.199 197 R C 1.955 177.782 176.300 -0.788 0.000 1.000 197 R CA 0.004 55.831 56.100 -0.455 0.000 1.023 197 R CB -0.007 30.058 30.300 -0.392 0.000 0.908 197 R HN 0.499 nan 8.270 nan 0.000 0.473 198 I N 0.904 121.131 120.570 -0.572 0.000 3.164 198 I HA -0.223 3.947 4.170 -0.000 0.000 0.278 198 I C 1.154 177.164 176.117 -0.178 0.000 1.320 198 I CA 1.128 62.226 61.300 -0.337 0.000 1.422 198 I CB 0.179 38.167 38.000 -0.021 0.000 1.066 198 I HN 0.175 nan 8.210 nan 0.000 0.503 199 Q N 0.208 119.819 119.800 -0.315 0.000 2.247 199 Q HA -0.041 4.299 4.340 -0.000 0.000 0.211 199 Q C 1.512 176.962 176.000 -0.917 0.000 0.861 199 Q CA 0.150 55.756 55.803 -0.328 0.000 0.949 199 Q CB -0.080 28.656 28.738 -0.004 0.000 1.115 199 Q HN 0.778 nan 8.270 nan 0.000 0.507 200 W N 1.445 121.835 121.300 -1.517 0.000 2.275 200 W HA -0.271 4.389 4.660 -0.000 0.000 0.321 200 W C 1.230 177.318 176.519 -0.719 0.000 1.269 200 W CA 1.843 58.112 57.345 -1.793 0.000 1.274 200 W CB -1.522 27.265 29.460 -1.121 0.000 1.141 200 W HN 0.147 nan 8.180 nan 0.000 0.493 201 S N 0.280 114.953 115.700 -1.711 0.000 2.607 201 S HA -0.063 4.407 4.470 -0.000 0.000 0.224 201 S C 0.465 174.734 174.600 -0.550 0.000 0.969 201 S CA 0.574 57.981 58.200 -1.321 0.000 0.927 201 S CB -0.742 61.485 63.200 -1.622 0.000 0.772 201 S HN 0.341 nan 8.310 nan 0.000 0.533 202 N N 0.767 119.257 118.700 -0.351 0.000 2.699 202 N HA 0.570 5.310 4.740 -0.000 0.000 0.232 202 N C -1.259 174.342 175.510 0.152 0.000 1.027 202 N CA -0.530 52.471 53.050 -0.081 0.000 0.920 202 N CB 0.585 39.050 38.487 -0.036 0.000 1.148 202 N HN 0.311 nan 8.380 nan 0.000 0.509 203 L N 1.643 122.916 121.223 0.082 0.000 2.505 203 L HA 0.475 4.815 4.340 -0.000 0.000 0.259 203 L C -1.349 175.466 176.870 -0.092 0.000 0.952 203 L CA -0.665 54.217 54.840 0.069 0.000 0.840 203 L CB 2.038 44.195 42.059 0.164 0.000 1.358 203 L HN 0.383 nan 8.230 nan 0.000 0.409 204 Q N 2.490 122.173 119.800 -0.195 0.000 2.274 204 Q HA 0.631 4.971 4.340 -0.000 0.000 0.256 204 Q C -1.760 173.860 176.000 -0.633 0.000 0.927 204 Q CA -0.285 55.248 55.803 -0.451 0.000 0.939 204 Q CB 1.620 29.984 28.738 -0.623 0.000 1.201 204 Q HN 0.482 nan 8.270 nan 0.000 0.426 205 V N 5.915 125.461 119.914 -0.613 0.000 2.334 205 V HA 0.388 4.508 4.120 -0.000 0.000 0.281 205 V C -0.883 174.862 176.094 -0.581 0.000 1.016 205 V CA -0.582 61.408 62.300 -0.517 0.000 0.832 205 V CB 0.365 32.014 31.823 -0.289 0.000 0.999 205 V HN 0.663 nan 8.190 nan 0.000 0.439 206 F N 2.742 122.492 119.950 -0.333 0.000 2.335 206 F HA 0.318 4.845 4.527 -0.000 0.000 0.365 206 F C 0.670 176.261 175.800 -0.348 0.000 1.122 206 F CA -1.296 56.505 58.000 -0.333 0.000 1.151 206 F CB 0.627 39.409 39.000 -0.364 0.000 1.282 206 F HN 0.494 nan 8.300 nan 0.000 0.513 207 D N 3.288 123.617 120.400 -0.119 0.000 2.367 207 D HA 0.282 4.921 4.640 -0.000 0.000 0.255 207 D C 0.351 176.506 176.300 -0.242 0.000 1.300 207 D CA 0.149 54.038 54.000 -0.184 0.000 0.959 207 D CB 0.605 41.331 40.800 -0.124 0.000 1.064 207 D HN 0.541 nan 8.370 nan 0.000 0.509 208 A N 4.546 127.100 122.820 -0.443 0.000 2.842 208 A HA 0.182 4.502 4.320 -0.000 0.000 0.298 208 A C 1.513 178.911 177.584 -0.311 0.000 1.293 208 A CA -0.489 51.184 52.037 -0.608 0.000 0.959 208 A CB -0.064 18.091 19.000 -1.409 0.000 1.119 208 A HN 0.558 nan 8.150 nan 0.000 0.564 209 R N 0.226 120.621 120.500 -0.176 0.000 2.339 209 R HA -0.091 4.249 4.340 -0.000 0.000 0.199 209 R C 1.013 177.279 176.300 -0.058 0.000 1.018 209 R CA 1.273 57.321 56.100 -0.087 0.000 1.036 209 R CB -0.038 30.246 30.300 -0.027 0.000 0.899 209 R HN 0.802 nan 8.270 nan 0.000 0.473 210 N N -0.631 118.057 118.700 -0.020 0.000 2.388 210 N HA -0.057 4.683 4.740 -0.000 0.000 0.176 210 N C 0.508 176.078 175.510 0.098 0.000 1.062 210 N CA -0.188 52.884 53.050 0.036 0.000 0.895 210 N CB -0.253 38.267 38.487 0.054 0.000 1.018 210 N HN -0.014 nan 8.380 nan 0.000 0.456 211 C N 0.819 120.211 119.300 0.153 0.000 2.275 211 C HA 0.036 4.496 4.460 -0.000 0.000 0.391 211 C C 1.452 176.636 174.990 0.323 0.000 1.503 211 C CA 0.435 59.638 59.018 0.309 0.000 1.502 211 C CB -0.923 27.108 27.740 0.485 0.000 2.529 211 C HN 0.582 nan 8.230 nan 0.000 0.588 212 S N 1.610 117.498 115.700 0.315 0.000 2.554 212 S HA 0.180 4.650 4.470 -0.000 0.000 0.227 212 S C 0.429 175.164 174.600 0.225 0.000 1.050 212 S CA 0.535 58.909 58.200 0.290 0.000 0.927 212 S CB 0.398 63.700 63.200 0.170 0.000 0.859 212 S HN 1.002 nan 8.310 nan 0.000 0.494 213 T N -1.495 113.173 114.554 0.191 0.000 2.865 213 T HA 0.780 5.130 4.350 -0.000 0.000 0.294 213 T C 1.040 175.769 174.700 0.049 0.000 1.119 213 T CA -0.203 61.947 62.100 0.082 0.000 1.007 213 T CB 1.463 70.381 68.868 0.082 0.000 1.225 213 T HN -0.081 nan 8.240 nan 0.000 0.515 214 A N 0.485 123.293 122.820 -0.020 0.000 1.908 214 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 214 A C 2.306 179.821 177.584 -0.115 0.000 1.181 214 A CA 2.433 54.406 52.037 -0.107 0.000 0.627 214 A CB -1.274 17.729 19.000 0.004 0.000 0.818 214 A HN 0.918 nan 8.150 nan 0.000 0.445 215 Q N 0.410 120.293 119.800 0.138 0.000 2.112 215 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 215 Q C 1.789 177.894 176.000 0.174 0.000 0.987 215 Q CA 2.515 58.471 55.803 0.256 0.000 0.858 215 Q CB -0.458 28.427 28.738 0.244 0.000 0.905 215 Q HN 0.775 nan 8.270 nan 0.000 0.420 216 E N -0.383 119.894 120.200 0.129 0.000 2.072 216 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 216 E C 2.159 178.874 176.600 0.191 0.000 0.985 216 E CA 1.404 57.873 56.400 0.115 0.000 0.801 216 E CB -0.276 29.528 29.700 0.174 0.000 0.750 216 E HN 0.474 nan 8.360 nan 0.000 0.452 217 M N 0.392 120.126 119.600 0.223 0.000 2.065 217 M HA -0.173 4.306 4.480 -0.000 0.000 0.259 217 M C 2.349 178.749 176.300 0.167 0.000 1.069 217 M CA 1.506 56.965 55.300 0.264 0.000 1.110 217 M CB -0.491 32.000 32.600 -0.182 0.000 1.328 217 M HN 0.091 nan 8.290 nan 0.000 0.405 218 F N 1.492 121.307 119.950 -0.224 0.000 2.091 218 F HA -0.300 4.227 4.527 -0.000 0.000 0.299 218 F C 2.340 178.112 175.800 -0.045 0.000 1.103 218 F CA 1.981 59.829 58.000 -0.254 0.000 1.228 218 F CB -0.589 38.122 39.000 -0.482 0.000 0.984 218 F HN 0.178 nan 8.300 nan 0.000 0.477 219 Q N -1.038 118.647 119.800 -0.192 0.000 2.084 219 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 219 Q C 2.096 177.942 176.000 -0.258 0.000 0.978 219 Q CA 2.069 57.689 55.803 -0.305 0.000 0.844 219 Q CB -0.494 28.137 28.738 -0.177 0.000 0.898 219 Q HN 0.632 nan 8.270 nan 0.000 0.426 220 H N 0.033 119.062 119.070 -0.067 0.000 2.353 220 H HA -0.075 4.481 4.556 -0.000 0.000 0.300 220 H C 2.000 177.284 175.328 -0.074 0.000 1.090 220 H CA 1.330 57.343 56.048 -0.058 0.000 1.327 220 H CB 0.120 29.939 29.762 0.095 0.000 1.383 220 H HN 0.164 nan 8.280 nan 0.000 0.508 221 I N -0.344 120.297 120.570 0.117 0.000 2.361 221 I HA -0.305 3.865 4.170 -0.000 0.000 0.251 221 I C 2.135 178.187 176.117 -0.107 0.000 1.133 221 I CA 0.557 61.874 61.300 0.029 0.000 1.413 221 I CB -0.224 37.790 38.000 0.023 0.000 1.073 221 I HN 0.442 nan 8.210 nan 0.000 0.424 222 C N 0.729 119.863 119.300 -0.278 0.000 2.446 222 C HA -0.154 4.306 4.460 -0.000 0.000 0.277 222 C C 3.009 177.904 174.990 -0.158 0.000 1.275 222 C CA 1.204 60.045 59.018 -0.295 0.000 1.727 222 C CB -1.024 26.408 27.740 -0.514 0.000 2.010 222 C HN 0.534 nan 8.230 nan 0.000 0.486 223 R N 0.547 120.940 120.500 -0.177 0.000 2.096 223 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 223 R C 2.008 178.217 176.300 -0.153 0.000 1.127 223 R CA 2.266 58.251 56.100 -0.191 0.000 0.968 223 R CB -1.074 29.046 30.300 -0.300 0.000 0.861 223 R HN 0.778 nan 8.270 nan 0.000 0.440 224 H N -0.339 118.585 119.070 -0.245 0.000 2.307 224 H HA 0.021 4.577 4.556 -0.000 0.000 0.303 224 H C 1.937 177.308 175.328 0.072 0.000 1.073 224 H CA 1.863 57.865 56.048 -0.076 0.000 1.338 224 H CB 0.004 29.760 29.762 -0.010 0.000 1.389 224 H HN 0.208 nan 8.280 nan 0.000 0.503 225 I N 0.483 121.144 120.570 0.151 0.000 2.248 225 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 225 I C 2.410 178.596 176.117 0.115 0.000 1.107 225 I CA 0.781 62.127 61.300 0.077 0.000 1.373 225 I CB -0.163 37.822 38.000 -0.025 0.000 1.055 225 I HN 0.357 nan 8.210 nan 0.000 0.418 226 L N 0.219 121.496 121.223 0.091 0.000 2.044 226 L HA -0.234 4.106 4.340 -0.000 0.000 0.205 226 L C 2.491 179.438 176.870 0.128 0.000 1.075 226 L CA 1.821 56.706 54.840 0.076 0.000 0.747 226 L CB -1.006 41.071 42.059 0.029 0.000 0.903 226 L HN 0.255 nan 8.230 nan 0.000 0.435 227 Y N 0.257 120.598 120.300 0.069 0.000 2.181 227 Y HA -0.136 4.414 4.550 -0.000 0.000 0.288 227 Y C 2.291 178.284 175.900 0.155 0.000 1.146 227 Y CA 1.784 59.958 58.100 0.124 0.000 1.164 227 Y CB -0.580 38.011 38.460 0.218 0.000 0.982 227 Y HN 0.231 nan 8.280 nan 0.000 0.515 228 A N -0.497 122.552 122.820 0.382 0.000 1.898 228 A HA -0.140 4.179 4.320 -0.000 0.000 0.216 228 A C 2.230 179.882 177.584 0.115 0.000 1.181 228 A CA 2.138 54.342 52.037 0.278 0.000 0.620 228 A CB -1.354 17.897 19.000 0.419 0.000 0.819 228 A HN 0.501 nan 8.150 nan 0.000 0.442 229 T N -0.234 114.385 114.554 0.108 0.000 2.652 229 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 229 T C 1.100 175.813 174.700 0.023 0.000 1.039 229 T CA 1.634 63.780 62.100 0.076 0.000 1.153 229 T CB -0.477 68.429 68.868 0.063 0.000 0.863 229 T HN 0.693 nan 8.240 nan 0.000 0.428 230 N N 1.423 120.106 118.700 -0.027 0.000 2.725 230 N HA -0.255 4.485 4.740 -0.000 0.000 0.251 230 N C 0.081 175.571 175.510 -0.034 0.000 1.031 230 N CA 0.941 53.950 53.050 -0.069 0.000 0.720 230 N CB -2.185 36.228 38.487 -0.123 0.000 0.930 230 N HN 0.629 nan 8.380 nan 0.000 0.543 231 N N -1.396 117.295 118.700 -0.015 0.000 2.708 231 N HA -0.269 4.471 4.740 -0.000 0.000 0.249 231 N C 0.937 176.440 175.510 -0.012 0.000 1.097 231 N CA 1.290 54.333 53.050 -0.012 0.000 0.710 231 N CB -1.186 37.291 38.487 -0.017 0.000 1.032 231 N HN 1.129 nan 8.380 nan 0.000 0.551 232 G N -0.093 108.708 108.800 0.001 0.000 2.284 232 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.216 232 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.216 232 G C -0.069 174.840 174.900 0.015 0.000 1.009 232 G CA 0.202 45.306 45.100 0.006 0.000 0.625 232 G HN 0.517 nan 8.290 nan 0.000 0.501 233 N N 2.222 120.917 118.700 -0.008 0.000 2.968 233 N HA 0.260 5.000 4.740 -0.000 0.000 0.271 233 N C 0.854 176.366 175.510 0.003 0.000 1.174 233 N CA -0.408 52.628 53.050 -0.023 0.000 1.096 233 N CB -0.424 38.036 38.487 -0.045 0.000 1.403 233 N HN 0.336 nan 8.380 nan 0.000 0.522 234 I N 1.952 122.564 120.570 0.070 0.000 2.919 234 I HA -0.141 4.029 4.170 -0.000 0.000 0.303 234 I C 0.820 177.066 176.117 0.216 0.000 1.221 234 I CA 0.874 62.277 61.300 0.171 0.000 1.444 234 I CB -0.277 37.915 38.000 0.320 0.000 1.331 234 I HN 0.249 nan 8.210 nan 0.000 0.572 235 R N 3.943 124.552 120.500 0.182 0.000 2.513 235 R HA 0.361 4.701 4.340 -0.000 0.000 0.301 235 R C -0.424 176.020 176.300 0.240 0.000 0.968 235 R CA -0.627 55.589 56.100 0.194 0.000 0.872 235 R CB 1.839 32.123 30.300 -0.028 0.000 1.177 235 R HN 0.565 nan 8.270 nan 0.000 0.444 236 S N 1.598 117.422 115.700 0.206 0.000 2.549 236 S HA 0.449 4.919 4.470 -0.000 0.000 0.286 236 S C -0.145 174.477 174.600 0.037 0.000 1.314 236 S CA -0.141 58.078 58.200 0.032 0.000 1.062 236 S CB 1.153 64.284 63.200 -0.115 0.000 0.865 236 S HN 0.724 nan 8.310 nan 0.000 0.498 237 A N 2.513 125.314 122.820 -0.032 0.000 2.601 237 A HA 0.802 5.122 4.320 -0.000 0.000 0.291 237 A C -1.356 176.114 177.584 -0.189 0.000 1.075 237 A CA -0.669 51.243 52.037 -0.209 0.000 0.671 237 A CB 1.114 19.951 19.000 -0.272 0.000 1.277 237 A HN 0.795 nan 8.150 nan 0.000 0.417 238 I N 0.187 120.574 120.570 -0.305 0.000 2.722 238 I HA 0.638 4.808 4.170 -0.000 0.000 0.295 238 I C -1.196 174.863 176.117 -0.097 0.000 1.161 238 I CA -0.188 61.090 61.300 -0.037 0.000 1.032 238 I CB 2.452 40.436 38.000 -0.026 0.000 1.244 238 I HN 0.587 nan 8.210 nan 0.000 0.421 239 T N 6.186 120.792 114.554 0.087 0.000 2.809 239 T HA 0.378 4.728 4.350 -0.000 0.000 0.296 239 T C -0.630 173.900 174.700 -0.283 0.000 1.015 239 T CA -0.286 61.758 62.100 -0.095 0.000 0.954 239 T CB 1.092 69.942 68.868 -0.030 0.000 0.950 239 T HN 0.265 nan 8.240 nan 0.000 0.450 240 V N 5.705 125.410 119.914 -0.348 0.000 2.368 240 V HA 0.392 4.512 4.120 -0.000 0.000 0.266 240 V C -0.100 175.767 176.094 -0.378 0.000 1.045 240 V CA -0.553 61.553 62.300 -0.324 0.000 0.899 240 V CB -0.448 31.129 31.823 -0.409 0.000 1.006 240 V HN 0.683 nan 8.190 nan 0.000 0.470 241 F N 5.480 125.402 119.950 -0.046 0.000 2.362 241 F HA 0.476 5.003 4.527 -0.000 0.000 0.311 241 F C -1.741 173.999 175.800 -0.101 0.000 1.161 241 F CA -2.425 55.501 58.000 -0.125 0.000 1.085 241 F CB 0.241 39.193 39.000 -0.080 0.000 1.311 241 F HN 0.304 nan 8.300 nan 0.000 0.524 242 P HA -0.068 nan 4.420 nan 0.000 0.261 242 P C -1.048 176.174 177.300 -0.130 0.000 1.165 242 P CA 0.170 63.103 63.100 -0.277 0.000 0.759 242 P CB 0.101 31.344 31.700 -0.763 0.000 0.772 243 Q N 3.407 123.093 119.800 -0.190 0.000 2.454 243 Q HA 0.141 4.481 4.340 -0.000 0.000 0.247 243 Q C 0.170 175.989 176.000 -0.302 0.000 1.028 243 Q CA -0.592 54.835 55.803 -0.626 0.000 0.910 243 Q CB 0.845 28.960 28.738 -1.039 0.000 1.276 243 Q HN 0.343 nan 8.270 nan 0.000 0.489 244 R N 0.931 121.263 120.500 -0.281 0.000 2.590 244 R HA 0.028 4.368 4.340 -0.000 0.000 0.274 244 R C 0.130 176.383 176.300 -0.077 0.000 1.061 244 R CA 0.736 56.779 56.100 -0.095 0.000 1.081 244 R CB 0.630 30.885 30.300 -0.075 0.000 0.984 244 R HN 0.980 nan 8.270 nan 0.000 0.448 245 S N 1.927 117.635 115.700 0.012 0.000 3.037 245 S HA -0.025 4.445 4.470 -0.000 0.000 0.173 245 S C 0.766 175.384 174.600 0.030 0.000 0.681 245 S CA 0.238 58.457 58.200 0.032 0.000 0.807 245 S CB -0.189 63.072 63.200 0.102 0.000 0.789 245 S HN 0.802 nan 8.310 nan 0.000 0.637 246 D N 0.271 120.700 120.400 0.049 0.000 2.340 246 D HA 0.350 4.990 4.640 -0.000 0.000 0.217 246 D C 1.367 177.639 176.300 -0.047 0.000 1.081 246 D CA 0.572 54.570 54.000 -0.004 0.000 0.842 246 D CB -0.301 40.492 40.800 -0.012 0.000 0.934 246 D HN 0.887 nan 8.370 nan 0.000 0.511 247 G N 0.842 109.625 108.800 -0.029 0.000 2.189 247 G HA2 -0.411 3.548 3.960 -0.000 0.000 0.267 247 G HA3 -0.411 3.548 3.960 -0.000 0.000 0.267 247 G C 1.013 175.865 174.900 -0.081 0.000 0.975 247 G CA 0.670 45.748 45.100 -0.037 0.000 0.644 247 G HN 0.486 nan 8.290 nan 0.000 0.537 248 K N -0.360 119.921 120.400 -0.198 0.000 2.374 248 K HA 0.189 4.509 4.320 -0.000 0.000 0.196 248 K C 0.776 177.149 176.600 -0.379 0.000 1.023 248 K CA 0.303 56.403 56.287 -0.313 0.000 1.103 248 K CB 0.245 32.492 32.500 -0.420 0.000 0.848 248 K HN 0.517 nan 8.250 nan 0.000 0.528 249 H N 0.547 119.648 119.070 0.052 0.000 2.662 249 H HA 0.165 4.721 4.556 -0.000 0.000 0.268 249 H C -0.631 174.781 175.328 0.140 0.000 1.152 249 H CA -0.680 55.414 56.048 0.078 0.000 1.072 249 H CB 0.167 29.990 29.762 0.103 0.000 1.660 249 H HN 0.057 nan 8.280 nan 0.000 0.584 250 D N 1.008 121.519 120.400 0.186 0.000 2.525 250 D HA -0.064 4.576 4.640 -0.000 0.000 0.235 250 D C 0.145 176.593 176.300 0.247 0.000 1.137 250 D CA 0.789 54.916 54.000 0.212 0.000 0.868 250 D CB 0.467 41.334 40.800 0.112 0.000 1.180 250 D HN -0.007 nan 8.370 nan 0.000 0.465 251 F N 2.405 122.388 119.950 0.054 0.000 2.394 251 F HA 0.390 4.917 4.527 -0.000 0.000 0.340 251 F C 0.906 176.718 175.800 0.020 0.000 1.105 251 F CA -0.189 57.816 58.000 0.009 0.000 1.124 251 F CB 0.849 39.840 39.000 -0.016 0.000 1.145 251 F HN -0.100 nan 8.300 nan 0.000 0.505 252 R N 3.587 124.165 120.500 0.130 0.000 2.548 252 R HA 0.391 4.731 4.340 -0.000 0.000 0.280 252 R C -1.798 174.618 176.300 0.193 0.000 1.061 252 R CA -0.995 55.202 56.100 0.162 0.000 0.915 252 R CB 1.883 32.291 30.300 0.179 0.000 1.210 252 R HN 0.503 nan 8.270 nan 0.000 0.442 253 L N 2.601 123.907 121.223 0.139 0.000 2.261 253 L HA 0.298 4.638 4.340 -0.000 0.000 0.289 253 L C 0.689 177.702 176.870 0.239 0.000 1.059 253 L CA -0.076 54.841 54.840 0.128 0.000 0.816 253 L CB 0.516 42.595 42.059 0.033 0.000 1.191 253 L HN 0.572 nan 8.230 nan 0.000 0.431 254 W N 1.015 122.326 121.300 0.018 0.000 2.611 254 W HA -0.034 4.625 4.660 -0.000 0.000 0.251 254 W C 0.796 177.276 176.519 -0.066 0.000 1.265 254 W CA -0.309 57.112 57.345 0.126 0.000 1.295 254 W CB -0.973 28.709 29.460 0.370 0.000 1.129 254 W HN 0.478 nan 8.180 nan 0.000 0.630 255 N N -0.512 118.172 118.700 -0.027 0.000 2.424 255 N HA 0.059 4.799 4.740 -0.000 0.000 0.257 255 N C 1.361 176.665 175.510 -0.344 0.000 1.250 255 N CA 0.760 53.517 53.050 -0.488 0.000 0.946 255 N CB 0.699 39.042 38.487 -0.241 0.000 1.175 255 N HN -0.150 nan 8.380 nan 0.000 0.477 256 S N -0.429 115.040 115.700 -0.385 0.000 2.441 256 S HA 0.082 4.552 4.470 -0.000 0.000 0.224 256 S C 0.232 174.716 174.600 -0.193 0.000 1.043 256 S CA 0.351 58.420 58.200 -0.218 0.000 0.948 256 S CB 0.097 63.207 63.200 -0.151 0.000 0.810 256 S HN 0.606 nan 8.310 nan 0.000 0.504 257 Q N -0.461 119.212 119.800 -0.211 0.000 2.389 257 Q HA 0.486 4.826 4.340 -0.000 0.000 0.277 257 Q C -0.264 175.593 176.000 -0.239 0.000 1.082 257 Q CA -0.800 54.877 55.803 -0.210 0.000 0.810 257 Q CB 1.829 30.481 28.738 -0.144 0.000 1.374 257 Q HN -0.002 nan 8.270 nan 0.000 0.422 258 L N 1.015 122.092 121.223 -0.244 0.000 1.971 258 L HA -0.064 4.276 4.340 -0.000 0.000 0.215 258 L C 0.640 177.356 176.870 -0.256 0.000 1.072 258 L CA 1.921 56.629 54.840 -0.221 0.000 0.758 258 L CB -0.109 41.808 42.059 -0.237 0.000 0.889 258 L HN 0.561 nan 8.230 nan 0.000 0.433 259 I N -0.814 119.532 120.570 -0.374 0.000 2.354 259 I HA 0.380 4.550 4.170 -0.000 0.000 0.292 259 I C 0.052 175.517 176.117 -1.087 0.000 0.989 259 I CA -0.414 60.519 61.300 -0.612 0.000 1.188 259 I CB 1.453 39.092 38.000 -0.601 0.000 1.342 259 I HN 0.138 nan 8.210 nan 0.000 0.457 260 R N 4.678 124.611 120.500 -0.944 0.000 2.664 260 R HA 0.334 4.674 4.340 -0.000 0.000 0.260 260 R C -1.862 174.152 176.300 -0.476 0.000 1.062 260 R CA -0.731 54.853 56.100 -0.861 0.000 0.902 260 R CB 1.437 31.534 30.300 -0.339 0.000 1.258 260 R HN 0.328 nan 8.270 nan 0.000 0.465 261 Y N 1.306 121.585 120.300 -0.035 0.000 2.346 261 Y HA 0.400 4.950 4.550 -0.000 0.000 0.330 261 Y C 1.012 176.927 175.900 0.025 0.000 1.178 261 Y CA 0.213 58.355 58.100 0.070 0.000 1.331 261 Y CB 0.907 39.515 38.460 0.247 0.000 1.253 261 Y HN 0.671 nan 8.280 nan 0.000 0.529 262 A N 1.623 124.516 122.820 0.122 0.000 2.406 262 A HA 0.560 4.880 4.320 -0.000 0.000 0.243 262 A C 0.629 178.025 177.584 -0.312 0.000 1.082 262 A CA 0.195 52.126 52.037 -0.178 0.000 0.786 262 A CB -0.230 18.585 19.000 -0.308 0.000 1.029 262 A HN 0.956 nan 8.150 nan 0.000 0.495 263 G N 0.574 109.125 108.800 -0.416 0.000 2.728 263 G HA2 0.552 4.512 3.960 -0.000 0.000 0.296 263 G HA3 0.552 4.512 3.960 -0.000 0.000 0.296 263 G C -1.132 173.569 174.900 -0.331 0.000 1.401 263 G CA -0.221 44.699 45.100 -0.300 0.000 1.007 263 G HN 0.488 nan 8.290 nan 0.000 0.527 264 Y N 0.396 120.730 120.300 0.056 0.000 2.360 264 Y HA 0.496 5.046 4.550 -0.000 0.000 0.337 264 Y C 0.502 176.456 175.900 0.089 0.000 1.039 264 Y CA -1.130 57.026 58.100 0.093 0.000 1.109 264 Y CB 2.298 40.864 38.460 0.178 0.000 1.201 264 Y HN 0.511 nan 8.280 nan 0.000 0.458 265 Q N 3.649 123.600 119.800 0.251 0.000 2.465 265 Q HA 0.363 4.702 4.340 -0.000 0.000 0.237 265 Q C -0.809 175.280 176.000 0.147 0.000 1.051 265 Q CA -0.819 55.075 55.803 0.151 0.000 0.874 265 Q CB 0.438 29.236 28.738 0.100 0.000 1.207 265 Q HN 0.555 nan 8.270 nan 0.000 0.508 266 M N 3.869 123.539 119.600 0.117 0.000 2.231 266 M HA 0.014 4.494 4.480 -0.000 0.000 0.299 266 M C -1.572 174.739 176.300 0.018 0.000 1.076 266 M CA -1.623 53.707 55.300 0.049 0.000 1.152 266 M CB -0.732 31.877 32.600 0.015 0.000 1.414 266 M HN 0.476 nan 8.290 nan 0.000 0.439 267 P HA -0.182 nan 4.420 nan 0.000 0.213 267 P C 0.883 178.176 177.300 -0.011 0.000 1.170 267 P CA 1.665 64.751 63.100 -0.024 0.000 0.898 267 P CB -0.235 31.432 31.700 -0.055 0.000 0.787 268 D N -1.687 118.703 120.400 -0.016 0.000 2.228 268 D HA -0.147 4.493 4.640 -0.000 0.000 0.203 268 D C 1.491 177.793 176.300 0.002 0.000 0.988 268 D CA 1.796 55.791 54.000 -0.009 0.000 0.864 268 D CB -0.540 40.252 40.800 -0.012 0.000 0.928 268 D HN 0.370 nan 8.370 nan 0.000 0.469 269 G N 0.247 109.053 108.800 0.010 0.000 2.617 269 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.197 269 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.197 269 G C 0.579 175.493 174.900 0.023 0.000 1.017 269 G CA 0.243 45.354 45.100 0.018 0.000 0.713 269 G HN 0.680 nan 8.290 nan 0.000 0.481 270 T N 0.782 115.347 114.554 0.018 0.000 2.940 270 T HA 0.539 4.889 4.350 -0.000 0.000 0.309 270 T C 0.270 174.990 174.700 0.033 0.000 1.056 270 T CA 0.040 62.152 62.100 0.019 0.000 1.137 270 T CB 1.620 70.496 68.868 0.013 0.000 0.976 270 T HN 0.375 nan 8.240 nan 0.000 0.547 271 I N 2.274 122.859 120.570 0.024 0.000 2.396 271 I HA 0.493 4.663 4.170 -0.000 0.000 0.292 271 I C 0.485 176.611 176.117 0.015 0.000 0.999 271 I CA -0.569 60.749 61.300 0.030 0.000 1.310 271 I CB 1.459 39.460 38.000 0.002 0.000 1.404 271 I HN 0.644 nan 8.210 nan 0.000 0.496 272 R N 3.726 124.268 120.500 0.070 0.000 2.460 272 R HA 0.772 5.111 4.340 -0.000 0.000 0.303 272 R C 0.245 176.536 176.300 -0.015 0.000 0.968 272 R CA 0.436 56.576 56.100 0.067 0.000 0.889 272 R CB 1.093 31.519 30.300 0.210 0.000 1.123 272 R HN 0.885 nan 8.270 nan 0.000 0.455 273 G N 2.661 111.359 108.800 -0.170 0.000 2.562 273 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.250 273 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.250 273 G C -1.067 173.451 174.900 -0.637 0.000 1.269 273 G CA 0.052 44.962 45.100 -0.318 0.000 0.919 273 G HN 0.719 nan 8.290 nan 0.000 0.574 274 D N 1.576 121.800 120.400 -0.294 0.000 2.344 274 D HA 0.545 5.185 4.640 -0.000 0.000 0.253 274 D C 1.491 177.750 176.300 -0.068 0.000 1.255 274 D CA 0.957 54.887 54.000 -0.116 0.000 0.894 274 D CB 0.730 41.813 40.800 0.472 0.000 1.067 274 D HN 0.927 nan 8.370 nan 0.000 0.492 275 A N 4.269 127.023 122.820 -0.110 0.000 1.940 275 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 275 A C 2.087 179.688 177.584 0.029 0.000 1.176 275 A CA 1.677 53.692 52.037 -0.037 0.000 0.631 275 A CB -0.535 18.444 19.000 -0.034 0.000 0.814 275 A HN 0.652 nan 8.150 nan 0.000 0.446 276 A N -0.428 122.437 122.820 0.076 0.000 2.186 276 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 276 A C 1.908 179.557 177.584 0.109 0.000 1.159 276 A CA 2.027 54.125 52.037 0.102 0.000 0.680 276 A CB -0.950 18.133 19.000 0.139 0.000 0.787 276 A HN 0.894 nan 8.150 nan 0.000 0.467 277 T N -3.850 110.762 114.554 0.097 0.000 3.182 277 T HA 0.428 4.778 4.350 -0.000 0.000 0.277 277 T C 1.250 175.991 174.700 0.067 0.000 1.013 277 T CA -0.006 62.160 62.100 0.111 0.000 0.900 277 T CB -0.372 68.569 68.868 0.123 0.000 1.098 277 T HN 0.194 nan 8.240 nan 0.000 0.543 278 L N 0.792 122.037 121.223 0.037 0.000 1.971 278 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 278 L C 2.968 179.837 176.870 -0.002 0.000 1.072 278 L CA 2.041 56.886 54.840 0.008 0.000 0.758 278 L CB -0.477 41.597 42.059 0.026 0.000 0.889 278 L HN 0.394 nan 8.230 nan 0.000 0.433 279 E N -0.521 119.693 120.200 0.024 0.000 2.033 279 E HA -0.295 4.055 4.350 -0.000 0.000 0.199 279 E C 2.107 178.603 176.600 -0.173 0.000 1.011 279 E CA 1.957 58.333 56.400 -0.039 0.000 0.815 279 E CB -0.184 29.547 29.700 0.051 0.000 0.755 279 E HN 0.345 nan 8.360 nan 0.000 0.451 280 F N 1.407 121.192 119.950 -0.276 0.000 2.075 280 F HA -0.213 4.314 4.527 -0.000 0.000 0.297 280 F C 2.470 178.125 175.800 -0.241 0.000 1.113 280 F CA 2.009 59.791 58.000 -0.364 0.000 1.218 280 F CB -0.841 38.080 39.000 -0.130 0.000 0.984 280 F HN -0.045 nan 8.300 nan 0.000 0.472 281 T N 0.210 114.651 114.554 -0.188 0.000 2.685 281 T HA -0.336 4.014 4.350 -0.000 0.000 0.268 281 T C 1.740 176.298 174.700 -0.237 0.000 1.034 281 T CA 1.845 63.768 62.100 -0.295 0.000 1.149 281 T CB -0.436 68.303 68.868 -0.216 0.000 0.860 281 T HN 0.301 nan 8.240 nan 0.000 0.449 282 Q N 1.065 120.764 119.800 -0.168 0.000 2.002 282 Q HA -0.038 4.302 4.340 -0.000 0.000 0.204 282 Q C 2.184 178.079 176.000 -0.175 0.000 0.988 282 Q CA 1.578 57.316 55.803 -0.109 0.000 0.843 282 Q CB -0.997 27.690 28.738 -0.084 0.000 0.908 282 Q HN 0.597 nan 8.270 nan 0.000 0.420 283 L N -0.406 120.637 121.223 -0.300 0.000 2.043 283 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 283 L C 2.220 178.926 176.870 -0.274 0.000 1.075 283 L CA 1.926 56.592 54.840 -0.290 0.000 0.752 283 L CB -0.499 41.324 42.059 -0.392 0.000 0.891 283 L HN 0.411 nan 8.230 nan 0.000 0.432 284 C N -0.108 118.919 119.300 -0.455 0.000 2.425 284 C HA -0.174 4.286 4.460 -0.000 0.000 0.277 284 C C 2.645 177.623 174.990 -0.019 0.000 1.280 284 C CA 0.849 59.647 59.018 -0.366 0.000 1.744 284 C CB -0.852 26.487 27.740 -0.669 0.000 1.989 284 C HN 0.585 nan 8.230 nan 0.000 0.491 285 I N 0.898 121.488 120.570 0.034 0.000 2.226 285 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 285 I C 1.858 177.982 176.117 0.012 0.000 1.100 285 I CA 1.582 62.942 61.300 0.100 0.000 1.374 285 I CB -0.475 37.572 38.000 0.078 0.000 1.057 285 I HN 0.383 nan 8.210 nan 0.000 0.413 286 D N 0.573 120.949 120.400 -0.041 0.000 2.378 286 D HA -0.041 4.599 4.640 -0.000 0.000 0.222 286 D C 1.485 177.740 176.300 -0.074 0.000 0.980 286 D CA 0.863 54.824 54.000 -0.066 0.000 0.907 286 D CB 0.132 40.877 40.800 -0.091 0.000 0.899 286 D HN 0.367 nan 8.370 nan 0.000 0.527 287 L N -0.413 120.778 121.223 -0.053 0.000 2.928 287 L HA 0.256 4.596 4.340 -0.000 0.000 0.246 287 L C 1.339 178.198 176.870 -0.019 0.000 1.239 287 L CA -0.075 54.736 54.840 -0.049 0.000 1.035 287 L CB 0.307 42.331 42.059 -0.057 0.000 1.360 287 L HN 0.053 nan 8.230 nan 0.000 0.529 288 G N -0.749 108.045 108.800 -0.010 0.000 2.199 288 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.254 288 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.254 288 G C 0.014 174.930 174.900 0.027 0.000 0.982 288 G CA -0.140 44.954 45.100 -0.011 0.000 0.632 288 G HN 0.397 nan 8.290 nan 0.000 0.529 289 W N 3.224 124.455 121.300 -0.114 0.000 2.223 289 W HA 0.565 5.225 4.660 -0.000 0.000 0.334 289 W C 0.254 176.720 176.519 -0.089 0.000 1.334 289 W CA -0.251 57.031 57.345 -0.104 0.000 1.246 289 W CB 0.628 30.017 29.460 -0.119 0.000 1.184 289 W HN -0.081 nan 8.180 nan 0.000 0.563 290 K N 8.734 128.657 120.400 -0.796 0.000 2.273 290 K HA 0.174 4.494 4.320 -0.000 0.000 0.287 290 K C -2.292 173.623 176.600 -1.142 0.000 1.089 290 K CA -1.998 53.857 56.287 -0.720 0.000 0.909 290 K CB 0.242 32.447 32.500 -0.490 0.000 1.123 290 K HN 0.310 nan 8.250 nan 0.000 0.473 291 P HA 0.113 nan 4.420 nan 0.000 0.264 291 P C 0.205 177.063 177.300 -0.736 0.000 1.236 291 P CA -0.160 62.419 63.100 -0.869 0.000 0.811 291 P CB 0.632 31.779 31.700 -0.922 0.000 0.840 292 R N 2.597 122.779 120.500 -0.530 0.000 2.285 292 R HA -0.052 4.288 4.340 -0.000 0.000 0.213 292 R C 0.397 176.599 176.300 -0.163 0.000 1.068 292 R CA 0.325 56.292 56.100 -0.221 0.000 1.004 292 R CB -1.245 29.040 30.300 -0.024 0.000 0.873 292 R HN 0.429 nan 8.270 nan 0.000 0.467 293 Y N -2.034 117.914 120.300 -0.587 0.000 3.978 293 Y HA -0.292 4.258 4.550 -0.000 0.000 0.219 293 Y C 1.179 176.940 175.900 -0.231 0.000 1.153 293 Y CA 0.655 58.241 58.100 -0.857 0.000 1.718 293 Y CB -1.871 36.258 38.460 -0.553 0.000 1.541 293 Y HN 0.246 nan 8.280 nan 0.000 0.640 294 G N -0.193 108.716 108.800 0.183 0.000 2.582 294 G HA2 0.382 4.342 3.960 -0.000 0.000 0.232 294 G HA3 0.382 4.342 3.960 -0.000 0.000 0.232 294 G C 0.812 175.855 174.900 0.239 0.000 1.458 294 G CA 0.016 45.241 45.100 0.209 0.000 1.062 294 G HN 0.322 nan 8.290 nan 0.000 0.566 295 R N -2.082 118.465 120.500 0.078 0.000 2.531 295 R HA 0.307 4.647 4.340 -0.000 0.000 0.316 295 R C -0.381 175.563 176.300 -0.594 0.000 0.955 295 R CA -0.026 55.956 56.100 -0.197 0.000 1.120 295 R CB 0.387 30.514 30.300 -0.288 0.000 1.361 295 R HN 0.313 nan 8.270 nan 0.000 0.534 296 F N 0.692 120.671 119.950 0.048 0.000 2.608 296 F HA 0.290 4.817 4.527 -0.000 0.000 0.383 296 F C -1.060 174.837 175.800 0.162 0.000 1.371 296 F CA -1.196 56.638 58.000 -0.277 0.000 1.123 296 F CB 0.809 39.503 39.000 -0.510 0.000 1.207 296 F HN -0.165 nan 8.300 nan 0.000 0.512 297 D N 1.993 122.642 120.400 0.415 0.000 2.344 297 D HA 0.121 4.761 4.640 -0.000 0.000 0.253 297 D C 0.482 177.047 176.300 0.443 0.000 1.255 297 D CA 0.247 54.517 54.000 0.449 0.000 0.894 297 D CB 1.604 42.716 40.800 0.521 0.000 1.067 297 D HN -0.093 nan 8.370 nan 0.000 0.492 298 V N 3.710 123.847 119.914 0.372 0.000 2.557 298 V HA -0.101 4.019 4.120 -0.000 0.000 0.301 298 V C 1.191 177.321 176.094 0.060 0.000 1.026 298 V CA 0.004 62.390 62.300 0.144 0.000 1.137 298 V CB 0.023 31.882 31.823 0.059 0.000 0.917 298 V HN 0.369 nan 8.190 nan 0.000 0.484 299 L N 8.318 129.462 121.223 -0.132 0.000 2.473 299 L HA 0.286 4.626 4.340 -0.000 0.000 0.268 299 L C -1.690 174.972 176.870 -0.346 0.000 1.215 299 L CA -1.252 53.348 54.840 -0.400 0.000 0.823 299 L CB 0.605 42.523 42.059 -0.235 0.000 1.099 299 L HN 0.493 nan 8.230 nan 0.000 0.483 300 P HA 0.117 nan 4.420 nan 0.000 0.281 300 P C -0.954 176.296 177.300 -0.083 0.000 1.249 300 P CA -0.698 62.220 63.100 -0.304 0.000 0.810 300 P CB 1.339 32.722 31.700 -0.528 0.000 1.008 301 L N 3.266 124.524 121.223 0.058 0.000 2.369 301 L HA 0.103 4.443 4.340 -0.000 0.000 0.279 301 L C 0.018 176.971 176.870 0.137 0.000 1.108 301 L CA 0.017 54.927 54.840 0.118 0.000 0.852 301 L CB 0.213 42.382 42.059 0.184 0.000 1.169 301 L HN 0.107 nan 8.230 nan 0.000 0.452 302 V N 7.123 127.126 119.914 0.148 0.000 2.288 302 V HA 0.316 4.436 4.120 -0.000 0.000 0.266 302 V C 0.204 176.274 176.094 -0.039 0.000 1.048 302 V CA -0.455 61.888 62.300 0.072 0.000 0.842 302 V CB 0.591 32.523 31.823 0.181 0.000 1.064 302 V HN 0.478 nan 8.190 nan 0.000 0.472 303 L N 4.720 125.876 121.223 -0.111 0.000 2.325 303 L HA 0.656 4.996 4.340 -0.000 0.000 0.278 303 L C -0.101 176.599 176.870 -0.282 0.000 1.023 303 L CA -0.362 54.349 54.840 -0.214 0.000 0.811 303 L CB 1.662 43.512 42.059 -0.348 0.000 1.249 303 L HN 0.573 nan 8.230 nan 0.000 0.431 304 Q N 2.736 122.370 119.800 -0.276 0.000 2.309 304 Q HA 0.724 5.063 4.340 -0.000 0.000 0.270 304 Q C -1.705 174.036 176.000 -0.432 0.000 1.023 304 Q CA -0.618 55.003 55.803 -0.304 0.000 0.758 304 Q CB 2.232 30.859 28.738 -0.185 0.000 1.247 304 Q HN 0.783 nan 8.270 nan 0.000 0.455 305 A N 3.581 126.055 122.820 -0.577 0.000 2.342 305 A HA 0.480 4.800 4.320 -0.000 0.000 0.323 305 A C -0.344 176.640 177.584 -1.000 0.000 1.125 305 A CA -0.110 51.179 52.037 -1.246 0.000 0.785 305 A CB 1.079 19.602 19.000 -0.795 0.000 1.221 305 A HN 1.039 nan 8.150 nan 0.000 0.463 306 D N 1.359 120.907 120.400 -1.420 0.000 2.735 306 D HA -0.072 4.568 4.640 -0.000 0.000 0.235 306 D C 1.243 177.532 176.300 -0.019 0.000 1.175 306 D CA 2.393 56.249 54.000 -0.240 0.000 0.683 306 D CB -1.045 39.717 40.800 -0.063 0.000 1.008 306 D HN 2.109 nan 8.370 nan 0.000 0.416 307 G N -0.213 108.587 108.800 0.000 0.000 2.205 307 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.269 307 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.269 307 G C 0.525 175.461 174.900 0.061 0.000 0.977 307 G CA 1.203 46.349 45.100 0.077 0.000 0.652 307 G HN 0.708 nan 8.290 nan 0.000 0.539 308 Q N 0.283 120.067 119.800 -0.027 0.000 2.677 308 Q HA 0.468 4.808 4.340 -0.000 0.000 0.187 308 Q C 0.406 176.406 176.000 -0.001 0.000 1.146 308 Q CA 0.230 56.027 55.803 -0.010 0.000 1.224 308 Q CB 0.224 28.915 28.738 -0.077 0.000 1.268 308 Q HN 0.329 nan 8.270 nan 0.000 0.674 309 D N 0.410 120.789 120.400 -0.035 0.000 2.294 309 D HA 0.332 4.972 4.640 -0.000 0.000 0.250 309 D C -2.286 173.804 176.300 -0.351 0.000 1.058 309 D CA -1.297 52.588 54.000 -0.192 0.000 0.950 309 D CB 0.658 41.504 40.800 0.077 0.000 1.158 309 D HN 0.302 nan 8.370 nan 0.000 0.453 310 P HA 0.194 nan 4.420 nan 0.000 0.277 310 P C -1.071 176.070 177.300 -0.265 0.000 1.240 310 P CA -0.334 62.388 63.100 -0.631 0.000 0.798 310 P CB 1.069 31.967 31.700 -1.337 0.000 0.979 311 E N 0.805 120.936 120.200 -0.115 0.000 2.224 311 E HA 0.343 4.693 4.350 -0.000 0.000 0.265 311 E C -0.593 176.101 176.600 0.157 0.000 0.878 311 E CA -1.170 55.254 56.400 0.039 0.000 0.759 311 E CB 2.094 31.915 29.700 0.203 0.000 1.164 311 E HN 0.135 nan 8.360 nan 0.000 0.414 312 V N 2.927 122.830 119.914 -0.019 0.000 2.715 312 V HA 0.195 4.315 4.120 -0.000 0.000 0.299 312 V C -0.524 175.512 176.094 -0.097 0.000 1.054 312 V CA 0.290 62.596 62.300 0.010 0.000 1.077 312 V CB -0.194 31.604 31.823 -0.041 0.000 0.972 312 V HN 0.514 nan 8.190 nan 0.000 0.484 313 F N 1.699 121.554 119.950 -0.158 0.000 2.617 313 F HA 0.407 4.934 4.527 -0.000 0.000 0.325 313 F C -0.016 175.700 175.800 -0.139 0.000 1.179 313 F CA -0.934 56.894 58.000 -0.287 0.000 0.965 313 F CB 1.606 40.322 39.000 -0.474 0.000 1.232 313 F HN 0.414 nan 8.300 nan 0.000 0.461 314 E N 3.094 123.307 120.200 0.022 0.000 2.344 314 E HA 0.326 4.676 4.350 -0.000 0.000 0.270 314 E C -0.396 176.341 176.600 0.228 0.000 1.021 314 E CA 0.068 56.547 56.400 0.132 0.000 0.887 314 E CB 0.601 30.378 29.700 0.127 0.000 0.997 314 E HN 0.442 nan 8.360 nan 0.000 0.429 315 I N 7.031 127.742 120.570 0.236 0.000 2.452 315 I HA 0.117 4.287 4.170 -0.000 0.000 0.287 315 I C -1.829 174.415 176.117 0.212 0.000 1.079 315 I CA -1.944 59.519 61.300 0.273 0.000 1.387 315 I CB 0.658 38.736 38.000 0.131 0.000 1.404 315 I HN 0.402 nan 8.210 nan 0.000 0.522 316 P HA -0.019 nan 4.420 nan 0.000 0.253 316 P C -1.927 175.435 177.300 0.104 0.000 1.170 316 P CA -0.639 62.559 63.100 0.163 0.000 0.806 316 P CB 0.016 31.805 31.700 0.149 0.000 0.775 317 P HA -0.267 nan 4.420 nan 0.000 0.220 317 P C 0.881 178.216 177.300 0.059 0.000 1.155 317 P CA 1.552 64.698 63.100 0.078 0.000 0.880 317 P CB -0.079 31.667 31.700 0.077 0.000 0.790 318 D N -1.273 119.159 120.400 0.052 0.000 2.310 318 D HA -0.055 4.585 4.640 -0.000 0.000 0.212 318 D C 1.569 177.888 176.300 0.032 0.000 0.965 318 D CA 0.843 54.866 54.000 0.038 0.000 0.879 318 D CB -0.112 40.708 40.800 0.034 0.000 0.921 318 D HN 0.295 nan 8.370 nan 0.000 0.510 319 L N 0.475 121.719 121.223 0.035 0.000 2.592 319 L HA 0.098 4.438 4.340 -0.000 0.000 0.227 319 L C 0.223 177.107 176.870 0.023 0.000 1.127 319 L CA 0.038 54.893 54.840 0.025 0.000 0.884 319 L CB 0.744 42.811 42.059 0.014 0.000 1.065 319 L HN -0.251 nan 8.230 nan 0.000 0.457 320 V N 1.896 121.827 119.914 0.029 0.000 2.313 320 V HA 0.225 4.345 4.120 -0.000 0.000 0.278 320 V C -0.247 175.869 176.094 0.036 0.000 1.017 320 V CA -0.574 61.740 62.300 0.024 0.000 0.823 320 V CB 1.842 33.675 31.823 0.016 0.000 1.010 320 V HN 0.015 nan 8.190 nan 0.000 0.443 321 L N 5.791 127.039 121.223 0.042 0.000 2.265 321 L HA 0.596 4.936 4.340 -0.000 0.000 0.288 321 L C -0.015 176.879 176.870 0.040 0.000 1.058 321 L CA 0.435 55.294 54.840 0.032 0.000 0.809 321 L CB 0.667 42.740 42.059 0.023 0.000 1.179 321 L HN 0.676 nan 8.230 nan 0.000 0.429 322 E N 3.243 123.450 120.200 0.012 0.000 2.263 322 E HA 0.655 5.005 4.350 -0.000 0.000 0.264 322 E C -1.366 175.174 176.600 -0.100 0.000 0.923 322 E CA -1.060 55.343 56.400 0.004 0.000 0.802 322 E CB 2.519 32.252 29.700 0.056 0.000 1.228 322 E HN 0.426 nan 8.360 nan 0.000 0.417 323 V N 1.597 121.420 119.914 -0.152 0.000 2.448 323 V HA 0.276 4.396 4.120 -0.000 0.000 0.295 323 V C -0.353 175.673 176.094 -0.113 0.000 1.025 323 V CA -0.834 61.319 62.300 -0.246 0.000 0.859 323 V CB 1.743 33.194 31.823 -0.620 0.000 0.988 323 V HN 0.806 nan 8.190 nan 0.000 0.431 324 T N 3.904 118.395 114.554 -0.105 0.000 2.749 324 T HA 0.502 4.852 4.350 -0.000 0.000 0.295 324 T C -0.037 174.635 174.700 -0.047 0.000 0.936 324 T CA -0.772 61.277 62.100 -0.085 0.000 1.060 324 T CB 0.627 69.449 68.868 -0.077 0.000 0.904 324 T HN 0.316 nan 8.240 nan 0.000 0.500 325 M N 3.869 123.455 119.600 -0.023 0.000 2.245 325 M HA 0.311 4.790 4.480 -0.000 0.000 0.344 325 M C 0.487 176.834 176.300 0.078 0.000 1.170 325 M CA 0.148 55.484 55.300 0.060 0.000 1.135 325 M CB -0.361 32.278 32.600 0.065 0.000 1.574 325 M HN 0.971 nan 8.290 nan 0.000 0.452 326 E N 0.896 121.225 120.200 0.215 0.000 2.378 326 E HA 0.299 4.649 4.350 -0.000 0.000 0.283 326 E C -1.369 175.456 176.600 0.375 0.000 0.979 326 E CA -0.848 55.733 56.400 0.301 0.000 0.795 326 E CB 1.256 31.043 29.700 0.145 0.000 1.221 326 E HN 0.631 nan 8.360 nan 0.000 0.428 327 H N 3.897 123.104 119.070 0.228 0.000 2.502 327 H HA 0.232 4.788 4.556 -0.000 0.000 0.327 327 H C -1.670 173.666 175.328 0.013 0.000 1.099 327 H CA -2.195 53.829 56.048 -0.041 0.000 1.323 327 H CB 1.734 31.209 29.762 -0.479 0.000 1.450 327 H HN 0.464 nan 8.280 nan 0.000 0.502 328 P HA -0.045 nan 4.420 nan 0.000 0.244 328 P C 0.186 177.555 177.300 0.114 0.000 1.211 328 P CA 0.694 63.642 63.100 -0.253 0.000 0.760 328 P CB 0.639 31.880 31.700 -0.765 0.000 0.961 329 K N -0.942 119.743 120.400 0.474 0.000 2.774 329 K HA 0.123 4.443 4.320 -0.000 0.000 0.242 329 K C 0.388 176.973 176.600 -0.026 0.000 1.832 329 K CA 0.109 56.483 56.287 0.146 0.000 1.017 329 K CB -0.783 31.765 32.500 0.080 0.000 2.161 329 K HN -0.081 nan 8.250 nan 0.000 0.378 330 Y N 4.394 124.428 120.300 -0.443 0.000 2.816 330 Y HA -0.049 4.501 4.550 -0.000 0.000 0.373 330 Y C 1.640 177.228 175.900 -0.520 0.000 1.341 330 Y CA 0.394 58.152 58.100 -0.570 0.000 1.821 330 Y CB -0.689 37.079 38.460 -1.153 0.000 1.349 330 Y HN 0.385 nan 8.280 nan 0.000 0.479 331 E N 3.567 123.728 120.200 -0.065 0.000 2.209 331 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 331 E C 1.527 178.155 176.600 0.047 0.000 0.993 331 E CA 1.399 57.814 56.400 0.025 0.000 0.819 331 E CB -0.106 29.643 29.700 0.081 0.000 0.745 331 E HN 0.915 nan 8.360 nan 0.000 0.477 332 W N -0.459 120.945 121.300 0.174 0.000 2.525 332 W HA -0.118 4.542 4.660 -0.000 0.000 0.259 332 W C 1.364 178.000 176.519 0.196 0.000 1.253 332 W CA -0.190 57.248 57.345 0.154 0.000 1.262 332 W CB -0.968 28.575 29.460 0.138 0.000 1.122 332 W HN 0.007 nan 8.180 nan 0.000 0.607 333 F N 2.641 122.127 119.950 -0.772 0.000 2.069 333 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 333 F C 3.002 178.690 175.800 -0.186 0.000 1.113 333 F CA 2.803 60.392 58.000 -0.685 0.000 1.214 333 F CB -0.987 37.577 39.000 -0.728 0.000 0.978 333 F HN -0.054 nan 8.300 nan 0.000 0.474 334 Q N 0.262 120.033 119.800 -0.048 0.000 2.248 334 Q HA -0.248 4.091 4.340 -0.000 0.000 0.208 334 Q C 1.847 177.808 176.000 -0.065 0.000 0.984 334 Q CA 1.968 57.734 55.803 -0.061 0.000 0.875 334 Q CB -0.261 28.486 28.738 0.016 0.000 0.910 334 Q HN 0.564 nan 8.270 nan 0.000 0.433 335 E N 0.010 120.211 120.200 0.002 0.000 2.333 335 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 335 E C 1.800 178.402 176.600 0.004 0.000 1.007 335 E CA 0.701 57.126 56.400 0.042 0.000 0.845 335 E CB -0.054 29.723 29.700 0.129 0.000 0.766 335 E HN 0.474 nan 8.360 nan 0.000 0.507 336 L N -0.069 121.102 121.223 -0.087 0.000 2.201 336 L HA -0.036 4.304 4.340 -0.000 0.000 0.212 336 L C 1.361 178.173 176.870 -0.097 0.000 1.105 336 L CA 0.658 55.421 54.840 -0.128 0.000 0.775 336 L CB -0.557 41.289 42.059 -0.356 0.000 0.913 336 L HN 0.242 nan 8.230 nan 0.000 0.440 337 G N 1.223 109.957 108.800 -0.110 0.000 2.324 337 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.292 337 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.292 337 G C -0.277 174.591 174.900 -0.055 0.000 1.079 337 G CA -0.195 44.877 45.100 -0.047 0.000 1.026 337 G HN 0.203 nan 8.290 nan 0.000 0.506 338 L N 0.191 121.280 121.223 -0.224 0.000 2.307 338 L HA 0.735 5.075 4.340 -0.000 0.000 0.284 338 L C 0.612 177.258 176.870 -0.372 0.000 1.023 338 L CA -0.844 53.792 54.840 -0.340 0.000 0.810 338 L CB 1.706 43.428 42.059 -0.562 0.000 1.231 338 L HN 0.519 nan 8.230 nan 0.000 0.423 339 K N 2.254 122.266 120.400 -0.647 0.000 2.466 339 K HA 0.591 4.911 4.320 -0.000 0.000 0.260 339 K C -1.851 174.698 176.600 -0.085 0.000 1.011 339 K CA -0.972 55.084 56.287 -0.385 0.000 0.871 339 K CB 2.978 35.167 32.500 -0.517 0.000 1.404 339 K HN 0.557 nan 8.250 nan 0.000 0.450 340 W N 2.383 123.648 121.300 -0.059 0.000 3.707 340 W HA 0.217 4.877 4.660 -0.000 0.000 0.294 340 W C -1.334 175.228 176.519 0.072 0.000 1.248 340 W CA -0.774 56.625 57.345 0.091 0.000 1.217 340 W CB 1.229 30.651 29.460 -0.063 0.000 1.306 340 W HN 0.708 nan 8.180 nan 0.000 0.532 341 Y N 1.704 121.833 120.300 -0.285 0.000 2.511 341 Y HA 0.412 4.962 4.550 -0.000 0.000 0.347 341 Y C 0.801 176.858 175.900 0.261 0.000 1.257 341 Y CA 0.484 58.523 58.100 -0.102 0.000 1.469 341 Y CB 0.048 38.328 38.460 -0.300 0.000 1.353 341 Y HN 0.339 nan 8.280 nan 0.000 0.617 342 A N 1.992 125.035 122.820 0.372 0.000 2.267 342 A HA 0.241 4.561 4.320 -0.000 0.000 0.213 342 A C 0.139 178.050 177.584 0.545 0.000 1.192 342 A CA -0.090 52.241 52.037 0.491 0.000 0.851 342 A CB -0.135 18.982 19.000 0.193 0.000 0.881 342 A HN 0.603 nan 8.150 nan 0.000 0.494 343 L N 2.147 123.645 121.223 0.459 0.000 2.297 343 L HA 0.399 4.739 4.340 -0.000 0.000 0.277 343 L C -2.542 174.442 176.870 0.190 0.000 1.040 343 L CA -2.228 52.777 54.840 0.274 0.000 0.867 343 L CB 1.444 43.596 42.059 0.155 0.000 1.244 343 L HN -0.042 nan 8.230 nan 0.000 0.433 344 P HA 0.303 nan 4.420 nan 0.000 0.280 344 P C -1.201 175.974 177.300 -0.209 0.000 1.386 344 P CA -0.174 62.733 63.100 -0.323 0.000 0.899 344 P CB 1.023 32.102 31.700 -1.036 0.000 1.098 345 A N 4.411 127.129 122.820 -0.170 0.000 2.357 345 A HA 0.470 4.790 4.320 -0.000 0.000 0.295 345 A C -0.256 177.097 177.584 -0.386 0.000 1.121 345 A CA -0.670 51.198 52.037 -0.280 0.000 0.742 345 A CB 1.230 20.079 19.000 -0.253 0.000 1.181 345 A HN 0.273 nan 8.150 nan 0.000 0.454 346 V N 2.002 121.521 119.914 -0.658 0.000 2.508 346 V HA 0.412 4.532 4.120 -0.000 0.000 0.281 346 V C 1.193 176.901 176.094 -0.644 0.000 1.041 346 V CA 0.765 62.637 62.300 -0.712 0.000 1.016 346 V CB 0.907 32.067 31.823 -1.106 0.000 0.984 346 V HN 1.126 nan 8.190 nan 0.000 0.478 347 A N 3.842 126.444 122.820 -0.363 0.000 2.382 347 A HA 0.160 4.480 4.320 -0.000 0.000 0.228 347 A C 1.151 178.658 177.584 -0.129 0.000 1.217 347 A CA 0.285 52.186 52.037 -0.227 0.000 0.923 347 A CB -0.206 18.693 19.000 -0.169 0.000 0.979 347 A HN 0.942 nan 8.150 nan 0.000 0.515 348 N N -0.933 117.686 118.700 -0.134 0.000 2.389 348 N HA 0.362 5.102 4.740 -0.000 0.000 0.260 348 N C -0.123 175.397 175.510 0.018 0.000 1.191 348 N CA -0.223 52.791 53.050 -0.059 0.000 0.885 348 N CB 0.215 38.648 38.487 -0.090 0.000 1.162 348 N HN 0.270 nan 8.380 nan 0.000 0.512 349 M N 0.963 120.596 119.600 0.055 0.000 2.762 349 M HA 0.432 4.912 4.480 -0.000 0.000 0.306 349 M C -1.014 175.420 176.300 0.224 0.000 1.223 349 M CA -1.040 54.358 55.300 0.163 0.000 0.896 349 M CB 2.696 35.421 32.600 0.209 0.000 1.684 349 M HN 0.119 nan 8.290 nan 0.000 0.491 350 L N 2.227 123.610 121.223 0.267 0.000 2.341 350 L HA 0.585 4.925 4.340 -0.000 0.000 0.278 350 L C -1.619 175.458 176.870 0.346 0.000 1.005 350 L CA -0.970 54.044 54.840 0.291 0.000 0.818 350 L CB 1.452 43.653 42.059 0.237 0.000 1.259 350 L HN 0.609 nan 8.230 nan 0.000 0.418 351 L N 5.128 126.550 121.223 0.332 0.000 2.257 351 L HA 0.464 4.804 4.340 -0.000 0.000 0.290 351 L C -0.493 176.519 176.870 0.236 0.000 1.044 351 L CA 0.295 55.246 54.840 0.186 0.000 0.810 351 L CB 1.059 43.185 42.059 0.111 0.000 1.193 351 L HN 0.636 nan 8.230 nan 0.000 0.425 352 E N 5.312 125.617 120.200 0.176 0.000 2.114 352 E HA 0.366 4.716 4.350 -0.000 0.000 0.266 352 E C -1.853 174.769 176.600 0.037 0.000 0.896 352 E CA -0.358 56.146 56.400 0.172 0.000 0.750 352 E CB 1.677 31.560 29.700 0.305 0.000 1.121 352 E HN 0.496 nan 8.360 nan 0.000 0.413 353 V N 3.408 123.310 119.914 -0.019 0.000 2.525 353 V HA 0.581 4.701 4.120 -0.000 0.000 0.299 353 V C 0.539 176.481 176.094 -0.253 0.000 1.034 353 V CA 0.479 62.634 62.300 -0.242 0.000 0.863 353 V CB 1.174 32.739 31.823 -0.430 0.000 0.999 353 V HN 0.844 nan 8.190 nan 0.000 0.423 354 G N 4.377 113.069 108.800 -0.179 0.000 2.341 354 G HA2 0.054 4.014 3.960 -0.000 0.000 0.292 354 G HA3 0.054 4.014 3.960 -0.000 0.000 0.292 354 G C 1.497 176.542 174.900 0.241 0.000 1.021 354 G CA 1.299 46.475 45.100 0.128 0.000 0.905 354 G HN 2.655 nan 8.290 nan 0.000 0.508 355 G N -1.951 106.930 108.800 0.135 0.000 2.284 355 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.230 355 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.230 355 G C 0.597 175.567 174.900 0.116 0.000 1.021 355 G CA 0.367 45.585 45.100 0.198 0.000 0.619 355 G HN 1.267 nan 8.290 nan 0.000 0.510 356 L N 0.733 122.003 121.223 0.078 0.000 2.456 356 L HA 0.696 5.036 4.340 -0.000 0.000 0.257 356 L C 0.391 177.202 176.870 -0.098 0.000 1.162 356 L CA -0.325 54.475 54.840 -0.067 0.000 0.808 356 L CB 0.815 42.761 42.059 -0.190 0.000 1.136 356 L HN 0.244 nan 8.230 nan 0.000 0.466 357 E N 0.991 121.040 120.200 -0.252 0.000 2.275 357 E HA 0.425 4.775 4.350 -0.000 0.000 0.270 357 E C -1.687 174.717 176.600 -0.326 0.000 0.882 357 E CA -0.430 55.889 56.400 -0.136 0.000 0.758 357 E CB 2.063 31.725 29.700 -0.064 0.000 1.195 357 E HN 0.220 nan 8.360 nan 0.000 0.419 358 F N 3.468 123.438 119.950 0.033 0.000 2.366 358 F HA 0.291 4.818 4.527 -0.000 0.000 0.366 358 F C -1.580 174.281 175.800 0.103 0.000 1.096 358 F CA -2.193 55.840 58.000 0.055 0.000 1.060 358 F CB 1.473 40.498 39.000 0.041 0.000 1.282 358 F HN 0.319 nan 8.300 nan 0.000 0.450 359 P HA 0.074 nan 4.420 nan 0.000 0.245 359 P C -0.131 177.298 177.300 0.215 0.000 1.212 359 P CA 0.486 63.697 63.100 0.185 0.000 0.774 359 P CB 0.547 32.319 31.700 0.119 0.000 0.999 360 A N 0.545 123.541 122.820 0.294 0.000 2.375 360 A HA 0.564 4.884 4.320 -0.000 0.000 0.291 360 A C -0.159 177.683 177.584 0.430 0.000 1.160 360 A CA -0.455 51.779 52.037 0.328 0.000 0.747 360 A CB 0.293 19.483 19.000 0.317 0.000 1.170 360 A HN 0.305 nan 8.150 nan 0.000 0.458 361 C N 0.372 119.872 119.300 0.334 0.000 3.096 361 C HA 0.466 4.926 4.460 -0.000 0.000 0.329 361 C C -3.330 171.778 174.990 0.197 0.000 0.912 361 C CA -1.542 57.633 59.018 0.262 0.000 1.168 361 C CB -0.522 27.350 27.740 0.221 0.000 1.627 361 C HN 0.507 nan 8.230 nan 0.000 0.622 362 P HA 0.368 nan 4.420 nan 0.000 0.264 362 P C -0.460 176.887 177.300 0.079 0.000 1.193 362 P CA 0.713 63.787 63.100 -0.044 0.000 0.763 362 P CB 0.054 31.706 31.700 -0.081 0.000 0.810 363 F N 1.060 120.948 119.950 -0.102 0.000 2.578 363 F HA 0.707 5.234 4.527 -0.000 0.000 0.311 363 F C -0.704 174.976 175.800 -0.200 0.000 1.094 363 F CA -1.113 56.802 58.000 -0.142 0.000 0.923 363 F CB 1.713 40.484 39.000 -0.382 0.000 1.230 363 F HN 0.260 nan 8.300 nan 0.000 0.450 364 N N 0.668 119.414 118.700 0.077 0.000 2.647 364 N HA 0.815 5.555 4.740 -0.000 0.000 0.266 364 N C -1.131 174.296 175.510 -0.139 0.000 1.373 364 N CA -0.409 52.614 53.050 -0.046 0.000 0.807 364 N CB 1.951 40.452 38.487 0.023 0.000 1.513 364 N HN 1.068 nan 8.380 nan 0.000 0.505 365 G N -1.093 107.589 108.800 -0.196 0.000 2.933 365 G HA2 0.600 4.560 3.960 -0.000 0.000 0.203 365 G HA3 0.600 4.560 3.960 -0.000 0.000 0.203 365 G C -1.938 172.886 174.900 -0.127 0.000 1.170 365 G CA -0.588 44.312 45.100 -0.334 0.000 0.880 365 G HN 0.709 nan 8.290 nan 0.000 0.573 366 W N -1.435 119.851 121.300 -0.022 0.000 2.929 366 W HA 0.847 5.507 4.660 -0.000 0.000 0.345 366 W C -1.295 175.194 176.519 -0.051 0.000 1.151 366 W CA -2.081 55.263 57.345 -0.001 0.000 1.111 366 W CB 0.343 29.850 29.460 0.079 0.000 1.449 366 W HN 0.429 nan 8.180 nan 0.000 0.572 367 Y N 1.758 122.244 120.300 0.312 0.000 2.314 367 Y HA 0.320 4.870 4.550 -0.000 0.000 0.334 367 Y C 0.735 176.685 175.900 0.083 0.000 1.266 367 Y CA -0.491 57.660 58.100 0.084 0.000 1.391 367 Y CB 0.920 39.309 38.460 -0.117 0.000 1.306 367 Y HN 0.171 nan 8.280 nan 0.000 0.558 368 M N 2.114 121.851 119.600 0.229 0.000 2.181 368 M HA 0.229 4.709 4.480 -0.000 0.000 0.323 368 M C 1.111 177.397 176.300 -0.024 0.000 1.004 368 M CA -0.274 55.089 55.300 0.104 0.000 0.941 368 M CB 1.475 34.116 32.600 0.068 0.000 1.579 368 M HN 0.960 nan 8.290 nan 0.000 0.427 369 G N 2.038 110.792 108.800 -0.076 0.000 2.783 369 G HA2 -0.389 3.570 3.960 -0.000 0.000 0.225 369 G HA3 -0.389 3.570 3.960 -0.000 0.000 0.225 369 G C 1.203 175.962 174.900 -0.236 0.000 1.191 369 G CA 2.380 47.374 45.100 -0.177 0.000 0.774 369 G HN 0.827 nan 8.290 nan 0.000 0.632 370 T N -0.956 113.476 114.554 -0.205 0.000 2.869 370 T HA -0.119 4.230 4.350 -0.000 0.000 0.270 370 T C 1.903 176.430 174.700 -0.288 0.000 1.082 370 T CA 1.935 63.860 62.100 -0.291 0.000 1.123 370 T CB -0.363 68.283 68.868 -0.371 0.000 0.856 370 T HN 0.585 nan 8.240 nan 0.000 0.499 371 E N 0.936 120.995 120.200 -0.235 0.000 2.023 371 E HA -0.091 4.259 4.350 -0.000 0.000 0.196 371 E C 2.219 178.538 176.600 -0.468 0.000 1.003 371 E CA 1.801 58.074 56.400 -0.212 0.000 0.809 371 E CB -0.274 29.466 29.700 0.066 0.000 0.755 371 E HN 0.618 nan 8.360 nan 0.000 0.449 372 I N 0.360 120.470 120.570 -0.766 0.000 2.400 372 I HA -0.073 4.097 4.170 -0.000 0.000 0.248 372 I C 2.585 178.018 176.117 -1.140 0.000 1.109 372 I CA 0.835 61.343 61.300 -1.322 0.000 1.425 372 I CB -0.539 36.522 38.000 -1.565 0.000 1.094 372 I HN 0.113 nan 8.210 nan 0.000 0.425 373 G N 1.027 109.446 108.800 -0.634 0.000 2.453 373 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.215 373 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.215 373 G C 1.655 176.444 174.900 -0.185 0.000 1.201 373 G CA 1.157 46.081 45.100 -0.293 0.000 0.784 373 G HN 0.208 nan 8.290 nan 0.000 0.545 374 V N 0.461 120.237 119.914 -0.230 0.000 2.379 374 V HA 0.013 4.133 4.120 -0.000 0.000 0.243 374 V C 2.891 178.891 176.094 -0.156 0.000 1.035 374 V CA 1.351 63.549 62.300 -0.170 0.000 1.035 374 V CB -0.347 31.349 31.823 -0.211 0.000 0.673 374 V HN 0.153 nan 8.190 nan 0.000 0.457 375 R N 0.381 120.749 120.500 -0.219 0.000 2.043 375 R HA 0.006 4.346 4.340 -0.000 0.000 0.221 375 R C 2.042 178.245 176.300 -0.162 0.000 1.196 375 R CA 1.262 57.258 56.100 -0.175 0.000 0.949 375 R CB -1.347 28.841 30.300 -0.187 0.000 0.838 375 R HN 0.411 nan 8.270 nan 0.000 0.446 376 D N 0.623 120.828 120.400 -0.326 0.000 2.157 376 D HA -0.195 4.445 4.640 -0.000 0.000 0.191 376 D C 1.911 178.144 176.300 -0.111 0.000 1.004 376 D CA 1.490 55.261 54.000 -0.381 0.000 0.854 376 D CB -0.195 39.914 40.800 -1.152 0.000 0.936 376 D HN 0.094 nan 8.370 nan 0.000 0.446 377 F N 0.383 120.218 119.950 -0.192 0.000 2.164 377 F HA 0.022 4.549 4.527 -0.000 0.000 0.287 377 F C 2.664 178.502 175.800 0.063 0.000 1.086 377 F CA -0.189 57.793 58.000 -0.030 0.000 1.249 377 F CB -1.112 37.839 39.000 -0.081 0.000 1.059 377 F HN 0.012 nan 8.300 nan 0.000 0.490 378 C N -0.429 118.994 119.300 0.206 0.000 2.456 378 C HA -0.010 4.450 4.460 -0.000 0.000 0.279 378 C C 0.531 175.570 174.990 0.082 0.000 1.427 378 C CA -0.554 58.541 59.018 0.128 0.000 1.778 378 C CB -1.286 26.492 27.740 0.065 0.000 1.842 378 C HN 0.186 nan 8.230 nan 0.000 0.531 379 D N 1.206 121.646 120.400 0.065 0.000 2.488 379 D HA 0.051 4.691 4.640 -0.000 0.000 0.238 379 D C 1.521 177.860 176.300 0.066 0.000 1.138 379 D CA 0.497 54.522 54.000 0.042 0.000 0.873 379 D CB 0.853 41.673 40.800 0.033 0.000 1.183 379 D HN 0.414 nan 8.370 nan 0.000 0.458 380 T N -0.569 114.011 114.554 0.042 0.000 2.962 380 T HA -0.204 4.146 4.350 -0.000 0.000 0.270 380 T C 1.282 176.008 174.700 0.042 0.000 1.088 380 T CA 0.701 62.828 62.100 0.045 0.000 1.127 380 T CB -0.050 68.837 68.868 0.032 0.000 0.883 380 T HN 0.547 nan 8.240 nan 0.000 0.493 381 Q N 0.231 120.056 119.800 0.041 0.000 2.320 381 Q HA 0.197 4.537 4.340 -0.000 0.000 0.201 381 Q C 0.879 176.912 176.000 0.055 0.000 0.910 381 Q CA -0.255 55.572 55.803 0.040 0.000 0.946 381 Q CB 0.294 29.054 28.738 0.037 0.000 1.062 381 Q HN 0.334 nan 8.270 nan 0.000 0.503 382 R N -0.260 120.288 120.500 0.080 0.000 2.548 382 R HA 0.215 4.555 4.340 -0.000 0.000 0.107 382 R C 0.755 177.107 176.300 0.087 0.000 1.296 382 R CA -0.111 56.072 56.100 0.138 0.000 1.097 382 R CB -0.895 29.544 30.300 0.233 0.000 0.937 382 R HN 0.095 nan 8.270 nan 0.000 0.400 383 Y N 2.044 122.451 120.300 0.178 0.000 2.457 383 Y HA 0.186 4.736 4.550 -0.000 0.000 0.263 383 Y C 0.684 176.658 175.900 0.125 0.000 1.164 383 Y CA -0.274 57.934 58.100 0.179 0.000 1.274 383 Y CB -0.149 38.493 38.460 0.304 0.000 1.097 383 Y HN 0.350 nan 8.280 nan 0.000 0.523 384 N N 1.445 120.268 118.700 0.205 0.000 2.577 384 N HA -0.288 4.452 4.740 -0.000 0.000 0.244 384 N C 1.194 176.797 175.510 0.156 0.000 1.205 384 N CA 1.212 54.349 53.050 0.145 0.000 0.740 384 N CB -0.956 37.586 38.487 0.092 0.000 1.123 384 N HN 0.728 nan 8.380 nan 0.000 0.562 385 I N -3.046 117.638 120.570 0.189 0.000 2.800 385 I HA -0.198 3.972 4.170 -0.000 0.000 0.266 385 I C 2.083 178.304 176.117 0.173 0.000 1.249 385 I CA 0.683 62.074 61.300 0.151 0.000 1.458 385 I CB -0.207 37.847 38.000 0.089 0.000 1.093 385 I HN 0.130 nan 8.210 nan 0.000 0.466 386 L N 1.535 122.869 121.223 0.186 0.000 1.989 386 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 386 L C 2.625 179.693 176.870 0.330 0.000 1.071 386 L CA 2.242 57.213 54.840 0.219 0.000 0.749 386 L CB -1.024 41.121 42.059 0.144 0.000 0.890 386 L HN 0.512 nan 8.230 nan 0.000 0.431 387 E N -0.026 120.360 120.200 0.310 0.000 2.204 387 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 387 E C 1.877 178.551 176.600 0.122 0.000 0.990 387 E CA 1.250 57.847 56.400 0.329 0.000 0.821 387 E CB 0.249 30.081 29.700 0.219 0.000 0.750 387 E HN 0.537 nan 8.360 nan 0.000 0.477 388 E N 0.073 120.350 120.200 0.129 0.000 2.028 388 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 388 E C 2.111 178.784 176.600 0.122 0.000 0.984 388 E CA 1.311 57.763 56.400 0.087 0.000 0.800 388 E CB -0.358 29.399 29.700 0.096 0.000 0.758 388 E HN 0.043 nan 8.360 nan 0.000 0.448 389 V N 0.744 120.799 119.914 0.234 0.000 2.568 389 V HA -0.218 3.902 4.120 -0.000 0.000 0.253 389 V C 2.179 178.421 176.094 0.246 0.000 1.072 389 V CA 1.832 64.354 62.300 0.370 0.000 1.084 389 V CB -1.089 31.007 31.823 0.455 0.000 0.676 389 V HN 0.504 nan 8.190 nan 0.000 0.469 390 G N -0.406 108.512 108.800 0.197 0.000 2.453 390 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.215 390 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.215 390 G C 1.716 176.557 174.900 -0.098 0.000 1.201 390 G CA 0.763 45.926 45.100 0.105 0.000 0.784 390 G HN 0.392 nan 8.290 nan 0.000 0.545 391 R N 0.104 120.498 120.500 -0.177 0.000 2.096 391 R HA -0.050 4.290 4.340 -0.000 0.000 0.240 391 R C 2.390 178.540 176.300 -0.249 0.000 1.139 391 R CA 1.258 57.236 56.100 -0.203 0.000 0.952 391 R CB -0.255 29.948 30.300 -0.162 0.000 0.854 391 R HN 0.238 nan 8.270 nan 0.000 0.436 392 R N -0.024 120.262 120.500 -0.356 0.000 2.346 392 R HA 0.018 4.358 4.340 -0.000 0.000 0.208 392 R C 1.041 176.870 176.300 -0.784 0.000 1.052 392 R CA 0.479 56.098 56.100 -0.802 0.000 1.116 392 R CB 0.124 29.582 30.300 -1.404 0.000 1.003 392 R HN 0.316 nan 8.270 nan 0.000 0.482 393 M N -1.318 118.126 119.600 -0.260 0.000 2.289 393 M HA 0.175 4.655 4.480 -0.000 0.000 0.335 393 M C 0.496 176.781 176.300 -0.024 0.000 0.961 393 M CA -0.005 55.304 55.300 0.016 0.000 1.018 393 M CB 1.589 34.290 32.600 0.169 0.000 1.678 393 M HN 0.261 nan 8.290 nan 0.000 0.589 394 G N 2.965 111.695 108.800 -0.117 0.000 2.359 394 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.298 394 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.298 394 G C -0.549 174.309 174.900 -0.069 0.000 1.030 394 G CA 0.069 45.108 45.100 -0.103 0.000 1.149 394 G HN 0.406 nan 8.290 nan 0.000 0.512 395 L N -0.921 120.239 121.223 -0.104 0.000 2.334 395 L HA 0.459 4.799 4.340 -0.000 0.000 0.272 395 L C 1.009 177.743 176.870 -0.226 0.000 1.020 395 L CA -1.099 53.689 54.840 -0.086 0.000 0.812 395 L CB 1.317 43.386 42.059 0.017 0.000 1.264 395 L HN 0.225 nan 8.230 nan 0.000 0.439 396 E N 0.771 120.890 120.200 -0.135 0.000 3.259 396 E HA -0.060 4.290 4.350 -0.000 0.000 0.307 396 E C 0.670 177.025 176.600 -0.407 0.000 1.375 396 E CA -0.120 56.202 56.400 -0.130 0.000 1.472 396 E CB -0.310 29.408 29.700 0.030 0.000 1.174 396 E HN 0.594 nan 8.360 nan 0.000 0.473 397 T N 0.557 114.632 114.554 -0.799 0.000 2.792 397 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 397 T C 0.712 175.081 174.700 -0.551 0.000 1.059 397 T CA 1.432 62.697 62.100 -1.393 0.000 1.136 397 T CB -0.224 68.030 68.868 -1.022 0.000 0.846 397 T HN 0.493 nan 8.240 nan 0.000 0.489 398 H N -0.371 118.580 119.070 -0.197 0.000 2.505 398 H HA 0.342 4.898 4.556 -0.000 0.000 0.289 398 H C 0.109 175.482 175.328 0.075 0.000 1.052 398 H CA -0.153 55.892 56.048 -0.005 0.000 1.156 398 H CB 0.253 29.995 29.762 -0.035 0.000 1.507 398 H HN 0.051 nan 8.280 nan 0.000 0.548 399 T N 1.538 116.235 114.554 0.239 0.000 3.141 399 T HA 0.079 4.429 4.350 -0.000 0.000 0.377 399 T C 0.992 175.893 174.700 0.336 0.000 1.258 399 T CA -0.367 61.870 62.100 0.227 0.000 1.263 399 T CB 0.764 69.732 68.868 0.165 0.000 1.066 399 T HN 0.086 nan 8.240 nan 0.000 0.546 400 L N 3.293 124.678 121.223 0.270 0.000 1.997 400 L HA -0.084 4.256 4.340 -0.000 0.000 0.216 400 L C 2.455 179.384 176.870 0.098 0.000 1.074 400 L CA 2.214 57.160 54.840 0.177 0.000 0.763 400 L CB -0.634 41.479 42.059 0.090 0.000 0.890 400 L HN 0.665 nan 8.230 nan 0.000 0.434 401 A N -1.601 121.275 122.820 0.094 0.000 2.272 401 A HA -0.114 4.206 4.320 -0.000 0.000 0.213 401 A C 2.130 179.763 177.584 0.082 0.000 1.183 401 A CA 1.286 53.361 52.037 0.064 0.000 0.719 401 A CB -0.940 18.094 19.000 0.056 0.000 0.771 401 A HN 0.651 nan 8.150 nan 0.000 0.484 402 S N -1.096 114.691 115.700 0.144 0.000 2.575 402 S HA 0.279 4.749 4.470 -0.000 0.000 0.215 402 S C 0.833 175.520 174.600 0.144 0.000 0.966 402 S CA 0.361 58.658 58.200 0.162 0.000 0.911 402 S CB -0.564 62.776 63.200 0.233 0.000 0.780 402 S HN 0.717 nan 8.310 nan 0.000 0.514 403 L N 0.645 121.906 121.223 0.062 0.000 4.179 403 L HA -0.199 4.141 4.340 -0.000 0.000 0.418 403 L C 1.798 178.676 176.870 0.012 0.000 1.168 403 L CA 1.001 55.829 54.840 -0.020 0.000 0.972 403 L CB -2.412 39.652 42.059 0.008 0.000 2.005 403 L HN 0.785 nan 8.230 nan 0.000 0.935 404 W N 0.398 121.712 121.300 0.023 0.000 2.350 404 W HA -0.187 4.472 4.660 -0.000 0.000 0.289 404 W C 1.716 178.250 176.519 0.025 0.000 1.215 404 W CA 1.332 58.693 57.345 0.027 0.000 1.236 404 W CB -0.757 28.720 29.460 0.028 0.000 1.130 404 W HN 0.271 nan 8.180 nan 0.000 0.541 405 K N 0.908 120.882 120.400 -0.710 0.000 2.057 405 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 405 K C 1.513 177.982 176.600 -0.218 0.000 1.049 405 K CA 2.231 58.120 56.287 -0.664 0.000 0.931 405 K CB -0.371 31.608 32.500 -0.868 0.000 0.714 405 K HN -0.008 nan 8.250 nan 0.000 0.440 406 D N 0.228 120.527 120.400 -0.167 0.000 2.117 406 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 406 D C 1.982 178.282 176.300 -0.001 0.000 0.987 406 D CA 0.918 54.874 54.000 -0.072 0.000 0.829 406 D CB 0.069 40.837 40.800 -0.053 0.000 0.961 406 D HN 0.043 nan 8.370 nan 0.000 0.460 407 R N 0.431 120.961 120.500 0.050 0.000 2.073 407 R HA -0.015 4.325 4.340 -0.000 0.000 0.234 407 R C 2.150 178.509 176.300 0.099 0.000 1.134 407 R CA 1.223 57.382 56.100 0.098 0.000 0.952 407 R CB -0.662 29.732 30.300 0.157 0.000 0.850 407 R HN 0.206 nan 8.270 nan 0.000 0.433 408 A N 0.572 123.477 122.820 0.142 0.000 1.841 408 A HA -0.117 4.202 4.320 -0.000 0.000 0.214 408 A C 2.312 179.945 177.584 0.082 0.000 1.195 408 A CA 1.501 53.629 52.037 0.152 0.000 0.611 408 A CB -1.030 18.138 19.000 0.280 0.000 0.835 408 A HN 0.163 nan 8.150 nan 0.000 0.443 409 V N 0.096 120.040 119.914 0.050 0.000 2.439 409 V HA -0.256 3.864 4.120 -0.000 0.000 0.253 409 V C 2.534 178.628 176.094 0.000 0.000 1.074 409 V CA 2.964 65.274 62.300 0.016 0.000 1.076 409 V CB -0.869 30.933 31.823 -0.035 0.000 0.664 409 V HN 0.672 nan 8.190 nan 0.000 0.461 410 T N -0.362 114.196 114.554 0.007 0.000 2.737 410 T HA -0.110 4.240 4.350 -0.000 0.000 0.265 410 T C 1.784 176.477 174.700 -0.013 0.000 1.038 410 T CA 1.452 63.560 62.100 0.012 0.000 1.144 410 T CB -0.238 68.651 68.868 0.035 0.000 0.866 410 T HN 0.526 nan 8.240 nan 0.000 0.434 411 E N 1.179 121.358 120.200 -0.035 0.000 2.118 411 E HA -0.046 4.303 4.350 -0.000 0.000 0.195 411 E C 2.223 178.708 176.600 -0.191 0.000 0.992 411 E CA 0.769 57.105 56.400 -0.108 0.000 0.804 411 E CB -0.503 29.044 29.700 -0.256 0.000 0.741 411 E HN 0.529 nan 8.360 nan 0.000 0.458 412 I N 1.073 121.586 120.570 -0.095 0.000 2.226 412 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 412 I C 1.971 178.096 176.117 0.014 0.000 1.100 412 I CA 1.136 62.446 61.300 0.015 0.000 1.374 412 I CB -0.436 37.667 38.000 0.171 0.000 1.057 412 I HN 0.124 nan 8.210 nan 0.000 0.413 413 N N 0.140 118.830 118.700 -0.018 0.000 2.166 413 N HA -0.138 4.601 4.740 -0.000 0.000 0.186 413 N C 1.866 177.353 175.510 -0.038 0.000 1.019 413 N CA 0.901 53.933 53.050 -0.030 0.000 0.856 413 N CB 0.115 38.591 38.487 -0.017 0.000 0.993 413 N HN 0.088 nan 8.380 nan 0.000 0.426 414 V N 1.370 121.231 119.914 -0.088 0.000 2.237 414 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 414 V C 2.395 178.387 176.094 -0.170 0.000 1.046 414 V CA 1.978 64.188 62.300 -0.151 0.000 1.007 414 V CB -1.018 30.643 31.823 -0.270 0.000 0.638 414 V HN 0.328 nan 8.190 nan 0.000 0.445 415 A N 0.142 122.803 122.820 -0.265 0.000 1.859 415 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 415 A C 2.411 180.051 177.584 0.093 0.000 1.198 415 A CA 2.610 54.579 52.037 -0.114 0.000 0.629 415 A CB -1.040 17.887 19.000 -0.122 0.000 0.830 415 A HN 0.325 nan 8.150 nan 0.000 0.446 416 V N -0.022 119.959 119.914 0.112 0.000 2.250 416 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 416 V C 2.604 178.748 176.094 0.082 0.000 1.060 416 V CA 2.299 64.667 62.300 0.114 0.000 1.030 416 V CB -0.884 30.918 31.823 -0.034 0.000 0.643 416 V HN 0.575 nan 8.190 nan 0.000 0.445 417 L N -0.833 120.402 121.223 0.019 0.000 2.017 417 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 417 L C 2.625 179.563 176.870 0.114 0.000 1.073 417 L CA 2.129 56.989 54.840 0.033 0.000 0.745 417 L CB -0.844 41.226 42.059 0.017 0.000 0.894 417 L HN 0.538 nan 8.230 nan 0.000 0.432 418 H N -0.395 118.676 119.070 0.002 0.000 2.293 418 H HA -0.162 4.394 4.556 -0.000 0.000 0.300 418 H C 2.309 177.669 175.328 0.054 0.000 1.082 418 H CA 1.778 57.824 56.048 -0.004 0.000 1.308 418 H CB 0.291 30.001 29.762 -0.086 0.000 1.375 418 H HN 0.243 nan 8.280 nan 0.000 0.495 419 S N 0.457 116.044 115.700 -0.188 0.000 2.365 419 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 419 S C 1.963 176.522 174.600 -0.067 0.000 1.039 419 S CA 1.581 59.660 58.200 -0.202 0.000 1.033 419 S CB -0.610 62.596 63.200 0.010 0.000 0.887 419 S HN 0.311 nan 8.310 nan 0.000 0.447 420 F N 1.917 121.813 119.950 -0.090 0.000 2.134 420 F HA -0.134 4.392 4.527 -0.000 0.000 0.299 420 F C 2.686 178.453 175.800 -0.055 0.000 1.097 420 F CA 1.281 59.254 58.000 -0.045 0.000 1.264 420 F CB -0.669 38.324 39.000 -0.011 0.000 1.001 420 F HN 0.232 nan 8.300 nan 0.000 0.479 421 Q N -0.158 119.719 119.800 0.128 0.000 2.084 421 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 421 Q C 2.202 178.200 176.000 -0.003 0.000 0.978 421 Q CA 1.774 57.612 55.803 0.057 0.000 0.844 421 Q CB -0.318 28.462 28.738 0.069 0.000 0.898 421 Q HN 0.360 nan 8.270 nan 0.000 0.426 422 K N 0.924 121.281 120.400 -0.072 0.000 2.147 422 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 422 K C 1.460 178.010 176.600 -0.082 0.000 1.049 422 K CA 1.271 57.502 56.287 -0.094 0.000 0.936 422 K CB 0.179 32.539 32.500 -0.234 0.000 0.722 422 K HN 0.191 nan 8.250 nan 0.000 0.446 423 Q N 0.238 119.974 119.800 -0.105 0.000 2.320 423 Q HA 0.116 4.456 4.340 -0.000 0.000 0.201 423 Q C -0.529 175.422 176.000 -0.082 0.000 0.910 423 Q CA -0.195 55.544 55.803 -0.107 0.000 0.946 423 Q CB 0.462 29.101 28.738 -0.165 0.000 1.062 423 Q HN 0.307 nan 8.270 nan 0.000 0.503 424 N N 0.249 118.919 118.700 -0.049 0.000 2.735 424 N HA -0.142 4.598 4.740 -0.000 0.000 0.248 424 N C -1.203 174.295 175.510 -0.020 0.000 1.083 424 N CA 0.552 53.584 53.050 -0.029 0.000 0.703 424 N CB -1.126 37.343 38.487 -0.031 0.000 1.005 424 N HN 0.035 nan 8.380 nan 0.000 0.550 425 V N 1.236 121.148 119.914 -0.003 0.000 2.370 425 V HA 0.181 4.300 4.120 -0.000 0.000 0.279 425 V C 0.922 177.132 176.094 0.193 0.000 1.029 425 V CA -0.565 61.768 62.300 0.055 0.000 0.870 425 V CB 1.742 33.513 31.823 -0.087 0.000 0.984 425 V HN 0.155 nan 8.190 nan 0.000 0.451 426 T N 6.939 121.550 114.554 0.096 0.000 2.819 426 T HA 0.227 4.577 4.350 -0.000 0.000 0.282 426 T C -0.212 174.529 174.700 0.068 0.000 1.013 426 T CA 1.148 63.225 62.100 -0.039 0.000 1.159 426 T CB -0.152 68.595 68.868 -0.200 0.000 1.007 426 T HN 0.572 nan 8.240 nan 0.000 0.514 427 I N 2.630 123.169 120.570 -0.051 0.000 3.093 427 I HA 0.641 4.811 4.170 -0.000 0.000 0.308 427 I C -1.525 174.575 176.117 -0.029 0.000 1.303 427 I CA -1.274 60.028 61.300 0.004 0.000 0.975 427 I CB 2.228 40.188 38.000 -0.067 0.000 1.286 427 I HN 0.632 nan 8.210 nan 0.000 0.459 428 M N 5.444 125.091 119.600 0.080 0.000 2.378 428 M HA 0.350 4.830 4.480 -0.000 0.000 0.289 428 M C -1.777 174.573 176.300 0.084 0.000 1.136 428 M CA -0.662 54.701 55.300 0.105 0.000 0.917 428 M CB 1.775 34.529 32.600 0.258 0.000 1.669 428 M HN 0.607 nan 8.290 nan 0.000 0.461 429 D N 3.399 123.833 120.400 0.057 0.000 2.358 429 D HA 0.062 4.702 4.640 -0.000 0.000 0.244 429 D C 0.746 177.063 176.300 0.028 0.000 1.163 429 D CA -0.028 54.001 54.000 0.049 0.000 0.945 429 D CB 0.510 41.315 40.800 0.007 0.000 1.152 429 D HN 0.843 nan 8.370 nan 0.000 0.451 430 H N 0.231 119.229 119.070 -0.119 0.000 2.457 430 H HA -0.112 4.444 4.556 -0.000 0.000 0.294 430 H C 1.259 176.475 175.328 -0.187 0.000 1.064 430 H CA 1.078 57.016 56.048 -0.184 0.000 1.330 430 H CB -0.588 29.000 29.762 -0.289 0.000 1.395 430 H HN 0.513 nan 8.280 nan 0.000 0.541 431 H N 0.706 119.548 119.070 -0.379 0.000 2.333 431 H HA -0.018 4.537 4.556 -0.000 0.000 0.302 431 H C 1.926 177.219 175.328 -0.059 0.000 1.075 431 H CA 1.766 57.690 56.048 -0.206 0.000 1.348 431 H CB -0.216 29.391 29.762 -0.259 0.000 1.393 431 H HN 0.357 nan 8.280 nan 0.000 0.509 432 T N 1.157 115.751 114.554 0.068 0.000 2.737 432 T HA -0.065 4.285 4.350 -0.000 0.000 0.265 432 T C 2.342 177.104 174.700 0.103 0.000 1.038 432 T CA 1.203 63.350 62.100 0.080 0.000 1.144 432 T CB -0.374 68.534 68.868 0.067 0.000 0.866 432 T HN 0.431 nan 8.240 nan 0.000 0.434 433 A N 1.003 123.884 122.820 0.102 0.000 1.865 433 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 433 A C 2.570 180.238 177.584 0.141 0.000 1.191 433 A CA 2.350 54.467 52.037 0.132 0.000 0.623 433 A CB -1.276 17.791 19.000 0.112 0.000 0.826 433 A HN 0.455 nan 8.150 nan 0.000 0.444 434 S N -0.902 114.861 115.700 0.105 0.000 2.370 434 S HA -0.240 4.230 4.470 -0.000 0.000 0.226 434 S C 2.006 176.718 174.600 0.187 0.000 1.033 434 S CA 1.913 60.189 58.200 0.127 0.000 1.011 434 S CB -0.341 62.909 63.200 0.083 0.000 0.852 434 S HN 0.655 nan 8.310 nan 0.000 0.457 435 E N -0.066 120.224 120.200 0.151 0.000 2.106 435 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 435 E C 2.225 178.913 176.600 0.147 0.000 0.984 435 E CA 1.127 57.610 56.400 0.139 0.000 0.806 435 E CB -0.064 29.698 29.700 0.104 0.000 0.750 435 E HN 0.507 nan 8.360 nan 0.000 0.458 436 S N 0.432 116.228 115.700 0.161 0.000 2.348 436 S HA -0.177 4.293 4.470 -0.000 0.000 0.221 436 S C 1.565 176.284 174.600 0.197 0.000 1.033 436 S CA 1.026 59.323 58.200 0.161 0.000 1.010 436 S CB -0.450 62.851 63.200 0.170 0.000 0.891 436 S HN 0.329 nan 8.310 nan 0.000 0.442 437 F N 2.714 122.725 119.950 0.102 0.000 2.063 437 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 437 F C 2.244 178.134 175.800 0.150 0.000 1.109 437 F CA 1.550 59.626 58.000 0.127 0.000 1.212 437 F CB -0.438 38.618 39.000 0.093 0.000 0.973 437 F HN 0.075 nan 8.300 nan 0.000 0.480 438 M N 0.171 119.844 119.600 0.123 0.000 2.088 438 M HA -0.277 4.203 4.480 -0.000 0.000 0.256 438 M C 2.247 178.510 176.300 -0.061 0.000 1.071 438 M CA 2.086 57.392 55.300 0.011 0.000 1.097 438 M CB -1.413 31.247 32.600 0.100 0.000 1.315 438 M HN 0.133 nan 8.290 nan 0.000 0.406 439 K N -0.288 120.117 120.400 0.008 0.000 2.044 439 K HA -0.228 4.091 4.320 -0.000 0.000 0.210 439 K C 1.939 178.528 176.600 -0.018 0.000 1.049 439 K CA 2.130 58.423 56.287 0.010 0.000 0.927 439 K CB -0.807 31.723 32.500 0.051 0.000 0.713 439 K HN 0.420 nan 8.250 nan 0.000 0.443 440 H N 0.133 119.122 119.070 -0.134 0.000 2.253 440 H HA -0.138 4.418 4.556 -0.000 0.000 0.296 440 H C 2.067 177.243 175.328 -0.254 0.000 1.074 440 H CA 2.787 58.726 56.048 -0.181 0.000 1.263 440 H CB -0.499 29.124 29.762 -0.230 0.000 1.363 440 H HN 0.299 nan 8.280 nan 0.000 0.489 441 M N -0.169 119.100 119.600 -0.551 0.000 2.143 441 M HA -0.318 4.162 4.480 -0.000 0.000 0.258 441 M C 2.208 178.413 176.300 -0.159 0.000 1.071 441 M CA 2.203 57.225 55.300 -0.463 0.000 1.088 441 M CB -0.070 32.249 32.600 -0.468 0.000 1.360 441 M HN 0.431 nan 8.290 nan 0.000 0.404 442 Q N 0.252 119.966 119.800 -0.144 0.000 2.046 442 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 442 Q C 1.734 177.704 176.000 -0.051 0.000 0.975 442 Q CA 2.131 57.895 55.803 -0.065 0.000 0.836 442 Q CB -0.085 28.618 28.738 -0.059 0.000 0.896 442 Q HN 0.610 nan 8.270 nan 0.000 0.428 443 N N 0.275 118.911 118.700 -0.106 0.000 2.120 443 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 443 N C 1.466 176.887 175.510 -0.148 0.000 1.024 443 N CA 1.054 54.047 53.050 -0.094 0.000 0.852 443 N CB -0.193 38.255 38.487 -0.065 0.000 1.003 443 N HN 0.253 nan 8.380 nan 0.000 0.424 444 E N 0.342 120.363 120.200 -0.299 0.000 2.077 444 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 444 E C 1.858 178.289 176.600 -0.281 0.000 0.989 444 E CA 0.800 56.981 56.400 -0.365 0.000 0.800 444 E CB -0.373 28.982 29.700 -0.575 0.000 0.746 444 E HN 0.497 nan 8.360 nan 0.000 0.452 445 Y N 0.687 120.878 120.300 -0.182 0.000 2.242 445 Y HA -0.123 4.427 4.550 -0.000 0.000 0.291 445 Y C 2.699 178.549 175.900 -0.083 0.000 1.137 445 Y CA 1.407 59.440 58.100 -0.112 0.000 1.181 445 Y CB -0.119 38.280 38.460 -0.101 0.000 0.989 445 Y HN -0.054 nan 8.280 nan 0.000 0.527 446 R N 0.037 120.561 120.500 0.040 0.000 2.062 446 R HA -0.105 4.235 4.340 -0.000 0.000 0.231 446 R C 2.410 178.697 176.300 -0.023 0.000 1.136 446 R CA 1.301 57.407 56.100 0.011 0.000 0.948 446 R CB -0.575 29.727 30.300 0.002 0.000 0.845 446 R HN 0.260 nan 8.270 nan 0.000 0.430 447 A N 1.448 124.238 122.820 -0.050 0.000 1.841 447 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 447 A C 1.478 179.023 177.584 -0.065 0.000 1.199 447 A CA 1.992 53.999 52.037 -0.050 0.000 0.621 447 A CB -0.417 18.545 19.000 -0.063 0.000 0.835 447 A HN 0.546 nan 8.150 nan 0.000 0.445 448 R N -1.857 118.571 120.500 -0.121 0.000 2.776 448 R HA 0.446 4.786 4.340 -0.000 0.000 0.391 448 R C 0.583 176.789 176.300 -0.156 0.000 1.116 448 R CA 0.196 56.226 56.100 -0.117 0.000 1.056 448 R CB -0.794 29.434 30.300 -0.121 0.000 1.369 448 R HN 0.820 nan 8.270 nan 0.000 0.590 449 G N 0.167 108.884 108.800 -0.139 0.000 2.421 449 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.300 449 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.300 449 G C 0.327 175.024 174.900 -0.339 0.000 0.974 449 G CA 0.495 45.515 45.100 -0.133 0.000 1.062 449 G HN 1.032 nan 8.290 nan 0.000 0.514 450 G N -2.508 105.778 108.800 -0.856 0.000 2.352 450 G HA2 0.524 4.484 3.960 -0.000 0.000 0.305 450 G HA3 0.524 4.484 3.960 -0.000 0.000 0.305 450 G C -0.844 173.529 174.900 -0.878 0.000 1.537 450 G CA 0.135 44.554 45.100 -1.136 0.000 0.959 450 G HN 1.890 nan 8.290 nan 0.000 0.668 451 C N 2.831 121.808 119.300 -0.538 0.000 2.833 451 C HA 0.699 5.159 4.460 -0.000 0.000 0.383 451 C C -2.520 172.396 174.990 -0.124 0.000 1.058 451 C CA -1.155 57.723 59.018 -0.234 0.000 1.259 451 C CB 1.210 28.834 27.740 -0.192 0.000 1.726 451 C HN 0.727 nan 8.230 nan 0.000 0.484 452 P HA 0.409 nan 4.420 nan 0.000 0.268 452 P C -0.707 176.457 177.300 -0.227 0.000 1.204 452 P CA 0.523 63.183 63.100 -0.733 0.000 0.768 452 P CB 1.118 32.291 31.700 -0.879 0.000 0.842 453 A N 2.187 124.919 122.820 -0.147 0.000 2.491 453 A HA 0.316 4.636 4.320 -0.000 0.000 0.293 453 A C -1.005 176.604 177.584 0.042 0.000 1.047 453 A CA -0.559 51.509 52.037 0.052 0.000 0.735 453 A CB 1.070 20.239 19.000 0.282 0.000 1.281 453 A HN 0.461 nan 8.150 nan 0.000 0.398 454 D N 2.465 122.889 120.400 0.040 0.000 2.479 454 D HA 0.086 4.726 4.640 -0.000 0.000 0.218 454 D C 0.944 177.368 176.300 0.207 0.000 1.131 454 D CA -0.445 53.630 54.000 0.126 0.000 0.916 454 D CB 0.172 41.033 40.800 0.101 0.000 1.022 454 D HN 0.646 nan 8.370 nan 0.000 0.515 455 W N 4.311 125.649 121.300 0.063 0.000 2.292 455 W HA -0.271 4.389 4.660 -0.000 0.000 0.304 455 W C 1.648 178.210 176.519 0.071 0.000 1.228 455 W CA 1.294 58.670 57.345 0.051 0.000 1.241 455 W CB -0.047 29.429 29.460 0.026 0.000 1.142 455 W HN 0.454 nan 8.180 nan 0.000 0.520 456 I N -1.334 119.524 120.570 0.480 0.000 2.286 456 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 456 I C 1.841 178.050 176.117 0.153 0.000 1.115 456 I CA 1.391 62.913 61.300 0.371 0.000 1.392 456 I CB -0.659 37.589 38.000 0.412 0.000 1.065 456 I HN 0.074 nan 8.210 nan 0.000 0.418 457 W N 0.504 121.787 121.300 -0.029 0.000 2.539 457 W HA 0.081 4.741 4.660 -0.000 0.000 0.281 457 W C 2.291 178.697 176.519 -0.189 0.000 1.220 457 W CA 0.389 57.688 57.345 -0.078 0.000 1.332 457 W CB -0.432 29.009 29.460 -0.032 0.000 1.095 457 W HN -0.053 nan 8.180 nan 0.000 0.571 458 L N -0.144 121.037 121.223 -0.070 0.000 2.201 458 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 458 L C 0.678 177.339 176.870 -0.349 0.000 1.105 458 L CA 0.387 55.048 54.840 -0.298 0.000 0.775 458 L CB -1.022 40.746 42.059 -0.485 0.000 0.913 458 L HN -0.376 nan 8.230 nan 0.000 0.440 459 V N 0.717 120.359 119.914 -0.453 0.000 2.530 459 V HA 0.155 4.275 4.120 -0.000 0.000 0.282 459 V C -1.899 174.027 176.094 -0.279 0.000 1.048 459 V CA -1.468 60.573 62.300 -0.431 0.000 0.997 459 V CB 0.622 32.013 31.823 -0.721 0.000 0.987 459 V HN 0.011 nan 8.190 nan 0.000 0.477 460 P HA 0.088 nan 4.420 nan 0.000 0.266 460 P C -1.796 175.373 177.300 -0.219 0.000 1.195 460 P CA -0.949 62.028 63.100 -0.206 0.000 0.768 460 P CB 0.078 31.675 31.700 -0.171 0.000 0.838 461 P HA -0.073 nan 4.420 nan 0.000 0.236 461 P C -0.122 177.059 177.300 -0.198 0.000 1.172 461 P CA 1.057 64.029 63.100 -0.214 0.000 0.759 461 P CB 0.080 31.644 31.700 -0.228 0.000 0.843 462 V N -6.609 113.162 119.914 -0.239 0.000 2.932 462 V HA 0.568 4.688 4.120 -0.000 0.000 0.307 462 V C 0.197 176.198 176.094 -0.156 0.000 1.147 462 V CA -0.786 61.394 62.300 -0.201 0.000 0.951 462 V CB 1.444 33.118 31.823 -0.248 0.000 1.031 462 V HN -0.106 nan 8.190 nan 0.000 0.426 463 S N 1.341 117.000 115.700 -0.069 0.000 3.586 463 S HA -0.184 4.285 4.470 -0.000 0.000 0.309 463 S C 1.563 176.127 174.600 -0.060 0.000 1.195 463 S CA 1.342 59.542 58.200 0.001 0.000 0.895 463 S CB -1.628 61.673 63.200 0.168 0.000 0.983 463 S HN 2.137 nan 8.310 nan 0.000 0.563 464 G N 2.166 110.889 108.800 -0.128 0.000 2.672 464 G HA2 -0.356 3.603 3.960 -0.000 0.000 0.218 464 G HA3 -0.356 3.603 3.960 -0.000 0.000 0.218 464 G C 1.507 176.144 174.900 -0.438 0.000 1.238 464 G CA 1.810 46.810 45.100 -0.167 0.000 0.791 464 G HN 1.035 nan 8.290 nan 0.000 0.606 465 S N 0.084 115.188 115.700 -0.993 0.000 2.400 465 S HA -0.097 4.373 4.470 -0.000 0.000 0.232 465 S C 2.253 176.733 174.600 -0.200 0.000 1.025 465 S CA 1.267 58.734 58.200 -1.222 0.000 0.993 465 S CB -0.247 62.419 63.200 -0.889 0.000 0.808 465 S HN 0.210 nan 8.310 nan 0.000 0.478 466 I N 2.257 122.774 120.570 -0.089 0.000 3.176 466 I HA 0.038 4.208 4.170 -0.000 0.000 0.275 466 I C 1.199 177.410 176.117 0.157 0.000 1.298 466 I CA 0.682 62.022 61.300 0.067 0.000 1.445 466 I CB -2.097 35.963 38.000 0.099 0.000 1.075 466 I HN 0.485 nan 8.210 nan 0.000 0.482 467 T N -1.390 113.258 114.554 0.158 0.000 2.929 467 T HA 0.365 4.715 4.350 -0.000 0.000 0.284 467 T C -1.404 173.459 174.700 0.272 0.000 1.014 467 T CA -1.743 60.475 62.100 0.195 0.000 1.051 467 T CB 2.310 71.252 68.868 0.123 0.000 1.028 467 T HN -0.120 nan 8.240 nan 0.000 0.485 468 P HA -0.107 nan 4.420 nan 0.000 0.216 468 P C 1.972 179.485 177.300 0.354 0.000 1.153 468 P CA 1.357 64.635 63.100 0.297 0.000 0.844 468 P CB -0.408 31.410 31.700 0.196 0.000 0.787 469 V N -2.233 117.841 119.914 0.267 0.000 2.370 469 V HA -0.283 3.837 4.120 -0.000 0.000 0.252 469 V C 2.383 178.623 176.094 0.245 0.000 1.068 469 V CA 2.037 64.472 62.300 0.225 0.000 1.061 469 V CB -2.468 29.395 31.823 0.067 0.000 0.656 469 V HN -0.074 nan 8.190 nan 0.000 0.455 470 F N 1.882 121.875 119.950 0.071 0.000 2.192 470 F HA -0.182 4.345 4.527 -0.000 0.000 0.301 470 F C 2.304 178.263 175.800 0.265 0.000 1.079 470 F CA 2.306 60.384 58.000 0.131 0.000 1.303 470 F CB -0.410 38.577 39.000 -0.022 0.000 1.024 470 F HN 0.339 nan 8.300 nan 0.000 0.494 471 H N -0.947 118.430 119.070 0.512 0.000 2.526 471 H HA 0.137 4.693 4.556 -0.000 0.000 0.274 471 H C 0.158 175.702 175.328 0.361 0.000 0.999 471 H CA 0.083 56.368 56.048 0.397 0.000 1.157 471 H CB -0.017 29.987 29.762 0.404 0.000 1.407 471 H HN 0.255 nan 8.280 nan 0.000 0.568 472 Q N 1.959 122.014 119.800 0.425 0.000 2.325 472 Q HA 0.169 4.509 4.340 -0.000 0.000 0.262 472 Q C -0.585 175.611 176.000 0.328 0.000 0.968 472 Q CA -0.456 55.540 55.803 0.321 0.000 0.877 472 Q CB 0.977 29.883 28.738 0.279 0.000 1.253 472 Q HN 0.265 nan 8.270 nan 0.000 0.448 473 E N 3.989 124.311 120.200 0.204 0.000 2.373 473 E HA 0.488 4.838 4.350 -0.000 0.000 0.263 473 E C -0.286 176.397 176.600 0.139 0.000 1.073 473 E CA -0.126 56.350 56.400 0.126 0.000 0.894 473 E CB 0.903 30.659 29.700 0.093 0.000 1.008 473 E HN 0.662 nan 8.360 nan 0.000 0.420 474 M N 0.295 119.983 119.600 0.146 0.000 2.644 474 M HA 0.446 4.926 4.480 -0.000 0.000 0.273 474 M C -1.646 174.736 176.300 0.137 0.000 1.253 474 M CA -1.164 54.239 55.300 0.172 0.000 0.852 474 M CB 1.120 33.877 32.600 0.262 0.000 1.708 474 M HN 0.186 nan 8.290 nan 0.000 0.471 475 L N 2.334 123.655 121.223 0.163 0.000 2.307 475 L HA 0.532 4.872 4.340 -0.000 0.000 0.284 475 L C -0.764 176.125 176.870 0.030 0.000 1.023 475 L CA 0.069 55.012 54.840 0.171 0.000 0.810 475 L CB 1.506 43.749 42.059 0.306 0.000 1.231 475 L HN 0.774 nan 8.230 nan 0.000 0.423 476 N N 3.177 121.834 118.700 -0.072 0.000 2.476 476 N HA 0.519 5.259 4.740 -0.000 0.000 0.257 476 N C -1.641 173.518 175.510 -0.583 0.000 0.970 476 N CA -0.305 52.511 53.050 -0.389 0.000 0.938 476 N CB 0.543 38.848 38.487 -0.303 0.000 1.144 476 N HN 0.368 nan 8.380 nan 0.000 0.500 477 Y N 0.099 120.141 120.300 -0.429 0.000 2.588 477 Y HA 0.645 5.195 4.550 -0.000 0.000 0.343 477 Y C -0.992 174.740 175.900 -0.280 0.000 1.065 477 Y CA -1.424 56.436 58.100 -0.399 0.000 1.038 477 Y CB 0.713 39.082 38.460 -0.153 0.000 1.297 477 Y HN -0.022 nan 8.280 nan 0.000 0.467 478 V N 4.189 124.033 119.914 -0.116 0.000 2.348 478 V HA 0.329 4.449 4.120 -0.000 0.000 0.270 478 V C 0.223 176.143 176.094 -0.290 0.000 1.037 478 V CA -0.402 61.657 62.300 -0.402 0.000 0.872 478 V CB 0.257 31.732 31.823 -0.579 0.000 1.002 478 V HN 0.738 nan 8.190 nan 0.000 0.464 479 L N 2.941 124.037 121.223 -0.212 0.000 2.970 479 L HA 0.725 5.065 4.340 -0.000 0.000 0.214 479 L C 0.428 177.250 176.870 -0.081 0.000 1.317 479 L CA -0.393 54.417 54.840 -0.050 0.000 1.187 479 L CB 1.127 43.225 42.059 0.064 0.000 2.155 479 L HN 0.623 nan 8.230 nan 0.000 0.554 480 S N -1.337 114.375 115.700 0.020 0.000 2.535 480 S HA 0.481 4.951 4.470 -0.000 0.000 0.272 480 S C -2.702 171.938 174.600 0.066 0.000 1.149 480 S CA -0.966 57.257 58.200 0.038 0.000 0.888 480 S CB 1.842 65.047 63.200 0.009 0.000 1.110 480 S HN 0.133 nan 8.310 nan 0.000 0.463 481 P HA 0.392 nan 4.420 nan 0.000 0.271 481 P C -1.217 176.051 177.300 -0.052 0.000 1.233 481 P CA 0.016 63.070 63.100 -0.076 0.000 0.795 481 P CB 0.229 31.807 31.700 -0.203 0.000 0.936 482 F N -0.384 119.344 119.950 -0.371 0.000 2.668 482 F HA 0.427 4.954 4.527 -0.000 0.000 0.309 482 F C -1.510 173.941 175.800 -0.582 0.000 1.117 482 F CA -0.675 57.006 58.000 -0.531 0.000 0.951 482 F CB 1.215 39.816 39.000 -0.664 0.000 1.323 482 F HN 0.143 nan 8.300 nan 0.000 0.451 483 Y N 3.797 123.588 120.300 -0.848 0.000 2.587 483 Y HA 0.417 4.967 4.550 -0.000 0.000 0.328 483 Y C -0.959 174.606 175.900 -0.559 0.000 0.980 483 Y CA -0.940 56.848 58.100 -0.520 0.000 1.272 483 Y CB 0.096 38.229 38.460 -0.546 0.000 1.094 483 Y HN 0.323 nan 8.280 nan 0.000 0.503 484 Y N 0.929 121.258 120.300 0.048 0.000 2.316 484 Y HA 0.305 4.855 4.550 -0.000 0.000 0.324 484 Y C 0.042 175.941 175.900 -0.002 0.000 1.267 484 Y CA -0.740 57.390 58.100 0.050 0.000 1.311 484 Y CB 0.648 39.201 38.460 0.155 0.000 1.267 484 Y HN 0.389 nan 8.280 nan 0.000 0.516 485 Y N 0.389 120.839 120.300 0.251 0.000 2.289 485 Y HA 0.354 4.904 4.550 -0.000 0.000 0.332 485 Y C 0.216 176.173 175.900 0.095 0.000 1.324 485 Y CA -0.925 57.246 58.100 0.118 0.000 1.478 485 Y CB 0.526 39.029 38.460 0.072 0.000 1.378 485 Y HN 0.479 nan 8.280 nan 0.000 0.558 486 Q N -0.172 119.743 119.800 0.192 0.000 2.683 486 Q HA 0.494 4.834 4.340 -0.000 0.000 0.302 486 Q C -1.674 174.294 176.000 -0.054 0.000 1.042 486 Q CA -1.254 54.579 55.803 0.050 0.000 0.773 486 Q CB 2.273 31.013 28.738 0.003 0.000 1.508 486 Q HN 0.343 nan 8.270 nan 0.000 0.459 487 I N 1.586 122.083 120.570 -0.122 0.000 2.395 487 I HA 0.069 4.239 4.170 -0.000 0.000 0.289 487 I C -0.120 175.767 176.117 -0.383 0.000 1.023 487 I CA 0.036 61.212 61.300 -0.207 0.000 1.350 487 I CB 0.905 38.802 38.000 -0.170 0.000 1.409 487 I HN 0.451 nan 8.210 nan 0.000 0.507 488 E N 8.827 128.694 120.200 -0.554 0.000 2.820 488 E HA -0.122 4.228 4.350 -0.000 0.000 0.251 488 E C -1.326 174.617 176.600 -1.094 0.000 0.944 488 E CA -0.323 55.450 56.400 -1.045 0.000 0.955 488 E CB 0.245 28.964 29.700 -1.634 0.000 0.904 488 E HN 0.419 nan 8.360 nan 0.000 0.513 489 P HA -0.233 nan 4.420 nan 0.000 0.217 489 P C 1.025 177.747 177.300 -0.963 0.000 1.162 489 P CA 1.871 64.348 63.100 -1.038 0.000 0.901 489 P CB -0.288 30.458 31.700 -1.590 0.000 0.793 490 W N 1.376 122.050 121.300 -1.043 0.000 2.480 490 W HA -0.007 4.652 4.660 -0.000 0.000 0.257 490 W C 1.383 177.883 176.519 -0.032 0.000 1.235 490 W CA 0.721 57.819 57.345 -0.413 0.000 1.218 490 W CB -1.616 27.823 29.460 -0.035 0.000 1.131 490 W HN -0.034 nan 8.180 nan 0.000 0.606 491 K N 0.318 120.536 120.400 -0.303 0.000 2.404 491 K HA 0.118 4.438 4.320 -0.000 0.000 0.194 491 K C 1.297 177.863 176.600 -0.056 0.000 1.023 491 K CA 1.256 57.491 56.287 -0.087 0.000 1.094 491 K CB 0.096 32.463 32.500 -0.221 0.000 0.841 491 K HN 0.395 nan 8.250 nan 0.000 0.523 492 T N -4.091 110.411 114.554 -0.088 0.000 3.092 492 T HA -0.015 4.335 4.350 -0.000 0.000 0.273 492 T C 0.126 174.813 174.700 -0.023 0.000 0.898 492 T CA -0.423 61.643 62.100 -0.056 0.000 0.868 492 T CB -0.339 68.466 68.868 -0.105 0.000 1.228 492 T HN 0.156 nan 8.240 nan 0.000 0.555 493 H N 2.484 121.485 119.070 -0.115 0.000 3.046 493 H HA 0.401 4.956 4.556 -0.000 0.000 0.303 493 H C -0.144 175.109 175.328 -0.126 0.000 1.002 493 H CA -0.501 55.460 56.048 -0.144 0.000 1.460 493 H CB -0.064 29.597 29.762 -0.168 0.000 1.493 493 H HN 0.375 nan 8.280 nan 0.000 0.559 494 I N 6.969 127.173 120.570 -0.610 0.000 2.278 494 I HA 0.035 4.205 4.170 -0.000 0.000 0.296 494 I C 0.080 175.823 176.117 -0.622 0.000 1.121 494 I CA -0.481 60.583 61.300 -0.394 0.000 1.267 494 I CB -0.142 37.741 38.000 -0.195 0.000 1.447 494 I HN 0.564 nan 8.210 nan 0.000 0.509 495 W N 0.000 121.090 121.300 -0.350 0.000 2.388 495 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 495 W CA 0.000 57.276 57.345 -0.115 0.000 1.226 495 W CB 0.000 29.517 29.460 0.094 0.000 1.126 495 W HN 0.000 nan 8.180 nan 0.000 0.535