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 1l0g_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG GVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.426 177.584 -0.263 0.000 1.274 4 A CA 0.000 51.860 52.037 -0.295 0.000 0.836 4 A CB 0.000 18.797 19.000 -0.338 0.000 0.831 5 P HA 0.131 nan 4.420 nan 0.000 0.267 5 P C 0.698 177.883 177.300 -0.191 0.000 1.200 5 P CA -0.180 62.773 63.100 -0.245 0.000 0.772 5 P CB 0.606 32.116 31.700 -0.317 0.000 0.855 6 Q N 2.265 121.994 119.800 -0.119 0.000 2.135 6 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 6 Q C 1.715 177.662 176.000 -0.089 0.000 0.981 6 Q CA 2.030 57.786 55.803 -0.078 0.000 0.856 6 Q CB -0.007 28.703 28.738 -0.048 0.000 0.902 6 Q HN 0.669 nan 8.270 nan 0.000 0.425 7 Q N -0.806 118.915 119.800 -0.132 0.000 2.167 7 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 7 Q C 2.017 177.919 176.000 -0.164 0.000 0.970 7 Q CA 1.360 57.082 55.803 -0.136 0.000 0.855 7 Q CB -0.296 28.347 28.738 -0.158 0.000 0.911 7 Q HN 0.416 nan 8.270 nan 0.000 0.438 8 I N 1.275 121.708 120.570 -0.230 0.000 2.277 8 I HA -0.188 3.981 4.170 -0.000 0.000 0.243 8 I C 1.809 177.885 176.117 -0.068 0.000 1.094 8 I CA 1.166 62.348 61.300 -0.197 0.000 1.393 8 I CB -0.396 37.438 38.000 -0.277 0.000 1.078 8 I HN 0.304 nan 8.210 nan 0.000 0.417 9 N N 0.725 119.432 118.700 0.011 0.000 2.149 9 N HA -0.256 4.484 4.740 -0.000 0.000 0.188 9 N C 1.477 177.032 175.510 0.075 0.000 1.019 9 N CA 1.601 54.722 53.050 0.118 0.000 0.857 9 N CB -0.097 38.438 38.487 0.080 0.000 0.997 9 N HN 0.307 nan 8.380 nan 0.000 0.426 10 D N 0.665 121.082 120.400 0.027 0.000 2.084 10 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 10 D C 1.759 178.080 176.300 0.036 0.000 0.990 10 D CA 0.725 54.753 54.000 0.046 0.000 0.826 10 D CB -0.050 40.756 40.800 0.010 0.000 0.971 10 D HN 0.098 nan 8.370 nan 0.000 0.453 11 I N -0.258 120.301 120.570 -0.017 0.000 2.353 11 I HA -0.138 4.032 4.170 -0.000 0.000 0.248 11 I C 2.084 178.184 176.117 -0.028 0.000 1.119 11 I CA 0.752 62.036 61.300 -0.028 0.000 1.417 11 I CB -0.164 37.804 38.000 -0.053 0.000 1.078 11 I HN -0.034 nan 8.210 nan 0.000 0.421 12 V N 0.380 120.248 119.914 -0.077 0.000 2.295 12 V HA -0.342 3.778 4.120 -0.000 0.000 0.246 12 V C 2.555 178.715 176.094 0.111 0.000 1.049 12 V CA 2.389 64.621 62.300 -0.113 0.000 1.024 12 V CB -1.053 30.443 31.823 -0.546 0.000 0.648 12 V HN 0.568 nan 8.190 nan 0.000 0.447 13 H N 0.181 119.287 119.070 0.060 0.000 2.353 13 H HA -0.113 4.443 4.556 -0.000 0.000 0.300 13 H C 2.576 177.960 175.328 0.094 0.000 1.090 13 H CA 1.511 57.650 56.048 0.153 0.000 1.327 13 H CB 0.248 30.086 29.762 0.127 0.000 1.383 13 H HN 0.294 nan 8.280 nan 0.000 0.508 14 R N -0.602 119.903 120.500 0.008 0.000 2.189 14 R HA -0.043 4.297 4.340 -0.000 0.000 0.218 14 R C 1.861 178.127 176.300 -0.056 0.000 1.074 14 R CA 1.503 57.556 56.100 -0.078 0.000 0.991 14 R CB 0.211 30.491 30.300 -0.033 0.000 0.883 14 R HN 0.307 nan 8.270 nan 0.000 0.457 15 T N 0.291 114.831 114.554 -0.024 0.000 3.044 15 T HA 0.120 4.470 4.350 -0.000 0.000 0.237 15 T C 1.704 176.363 174.700 -0.067 0.000 1.001 15 T CA 0.256 62.340 62.100 -0.028 0.000 1.160 15 T CB 0.215 69.081 68.868 -0.004 0.000 0.889 15 T HN -0.040 nan 8.240 nan 0.000 0.442 16 I N 2.129 122.649 120.570 -0.083 0.000 2.333 16 I HA -0.051 4.119 4.170 -0.000 0.000 0.246 16 I C 2.562 178.455 176.117 -0.373 0.000 1.106 16 I CA 1.323 62.467 61.300 -0.259 0.000 1.411 16 I CB -1.755 36.012 38.000 -0.387 0.000 1.082 16 I HN 0.248 nan 8.210 nan 0.000 0.420 17 T N 2.118 116.588 114.554 -0.139 0.000 2.720 17 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 17 T C -0.331 174.277 174.700 -0.152 0.000 1.037 17 T CA 1.590 63.636 62.100 -0.089 0.000 1.144 17 T CB -1.235 67.799 68.868 0.277 0.000 0.864 17 T HN 0.241 nan 8.240 nan 0.000 0.444 18 P HA 0.065 nan 4.420 nan 0.000 0.220 18 P C 1.611 178.830 177.300 -0.134 0.000 1.152 18 P CA 0.317 63.350 63.100 -0.113 0.000 0.812 18 P CB -0.137 31.509 31.700 -0.090 0.000 0.792 19 L N -0.389 120.734 121.223 -0.166 0.000 2.042 19 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 19 L C 2.084 178.796 176.870 -0.264 0.000 1.076 19 L CA 1.879 56.606 54.840 -0.187 0.000 0.749 19 L CB -1.201 40.741 42.059 -0.196 0.000 0.893 19 L HN -0.129 nan 8.230 nan 0.000 0.432 20 I N -0.531 119.842 120.570 -0.328 0.000 2.286 20 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 20 I C 2.388 178.384 176.117 -0.201 0.000 1.115 20 I CA 1.012 62.117 61.300 -0.327 0.000 1.392 20 I CB -0.389 37.366 38.000 -0.409 0.000 1.065 20 I HN 0.327 nan 8.210 nan 0.000 0.418 21 E N 0.539 120.649 120.200 -0.150 0.000 2.072 21 E HA -0.211 4.139 4.350 -0.000 0.000 0.190 21 E C 2.170 178.721 176.600 -0.083 0.000 0.982 21 E CA 1.136 57.481 56.400 -0.092 0.000 0.803 21 E CB -0.272 29.390 29.700 -0.063 0.000 0.755 21 E HN 0.590 nan 8.360 nan 0.000 0.453 22 Q N 0.176 119.921 119.800 -0.092 0.000 2.119 22 Q HA -0.089 4.251 4.340 -0.000 0.000 0.201 22 Q C 1.753 177.714 176.000 -0.065 0.000 0.972 22 Q CA 0.958 56.721 55.803 -0.067 0.000 0.847 22 Q CB 0.131 28.834 28.738 -0.058 0.000 0.903 22 Q HN 0.165 nan 8.270 nan 0.000 0.433 23 Q N -0.011 119.722 119.800 -0.112 0.000 2.319 23 Q HA 0.062 4.402 4.340 -0.000 0.000 0.202 23 Q C -0.357 175.589 176.000 -0.089 0.000 0.896 23 Q CA 0.126 55.869 55.803 -0.101 0.000 0.942 23 Q CB 0.863 29.471 28.738 -0.215 0.000 1.083 23 Q HN 0.154 nan 8.270 nan 0.000 0.510 24 K N 0.578 120.923 120.400 -0.091 0.000 3.148 24 K HA -0.184 4.135 4.320 -0.000 0.000 0.267 24 K C -0.292 176.264 176.600 -0.073 0.000 0.996 24 K CA 0.508 56.754 56.287 -0.069 0.000 0.737 24 K CB -2.528 29.949 32.500 -0.038 0.000 1.308 24 K HN 0.368 nan 8.250 nan 0.000 0.470 25 I N 1.412 121.912 120.570 -0.118 0.000 2.452 25 I HA 0.008 4.178 4.170 -0.000 0.000 0.287 25 I C -0.708 175.386 176.117 -0.038 0.000 1.079 25 I CA -1.938 59.307 61.300 -0.092 0.000 1.387 25 I CB 0.736 38.615 38.000 -0.201 0.000 1.404 25 I HN -0.037 nan 8.210 nan 0.000 0.522 26 P HA -0.011 nan 4.420 nan 0.000 0.216 26 P C 0.379 177.738 177.300 0.098 0.000 1.153 26 P CA 0.545 63.644 63.100 -0.001 0.000 0.844 26 P CB 0.296 31.916 31.700 -0.133 0.000 0.787 27 G N -1.294 107.622 108.800 0.193 0.000 2.706 27 G HA2 0.673 4.633 3.960 -0.000 0.000 0.297 27 G HA3 0.673 4.633 3.960 -0.000 0.000 0.297 27 G C -1.917 173.226 174.900 0.405 0.000 1.403 27 G CA -0.372 44.915 45.100 0.311 0.000 0.954 27 G HN 0.052 nan 8.290 nan 0.000 0.500 28 M N 1.288 121.162 119.600 0.456 0.000 2.465 28 M HA 0.737 5.217 4.480 -0.000 0.000 0.284 28 M C -1.481 175.144 176.300 0.541 0.000 1.212 28 M CA -0.548 54.987 55.300 0.391 0.000 0.910 28 M CB 2.289 34.963 32.600 0.123 0.000 1.725 28 M HN 1.065 nan 8.290 nan 0.000 0.477 29 A N 3.231 126.237 122.820 0.309 0.000 2.393 29 A HA 0.883 5.203 4.320 -0.000 0.000 0.306 29 A C -1.771 176.024 177.584 0.351 0.000 1.050 29 A CA -0.625 51.639 52.037 0.379 0.000 0.724 29 A CB 1.826 20.988 19.000 0.269 0.000 1.248 29 A HN 0.640 nan 8.150 nan 0.000 0.424 30 V N 0.768 121.008 119.914 0.542 0.000 2.789 30 V HA 0.815 4.935 4.120 -0.000 0.000 0.311 30 V C 0.091 176.514 176.094 0.549 0.000 1.073 30 V CA -0.218 62.371 62.300 0.481 0.000 0.921 30 V CB 1.941 34.073 31.823 0.515 0.000 1.009 30 V HN 1.448 nan 8.190 nan 0.000 0.426 31 A N 3.595 126.655 122.820 0.400 0.000 2.355 31 A HA 0.905 5.225 4.320 -0.000 0.000 0.317 31 A C -1.185 176.549 177.584 0.251 0.000 1.094 31 A CA -0.571 51.650 52.037 0.307 0.000 0.764 31 A CB 1.830 20.957 19.000 0.212 0.000 1.230 31 A HN 0.673 nan 8.150 nan 0.000 0.448 32 V N 3.151 123.233 119.914 0.281 0.000 2.487 32 V HA 0.390 4.510 4.120 -0.000 0.000 0.298 32 V C -0.956 175.258 176.094 0.199 0.000 1.028 32 V CA -0.303 62.141 62.300 0.240 0.000 0.860 32 V CB 1.432 33.428 31.823 0.288 0.000 0.991 32 V HN 0.723 nan 8.190 nan 0.000 0.427 33 I N 5.571 126.215 120.570 0.122 0.000 2.312 33 I HA 0.406 4.575 4.170 -0.000 0.000 0.290 33 I C -0.693 175.525 176.117 0.169 0.000 1.008 33 I CA -0.322 61.020 61.300 0.069 0.000 1.226 33 I CB 0.940 38.918 38.000 -0.037 0.000 1.371 33 I HN 0.612 nan 8.210 nan 0.000 0.468 34 Y N 5.316 125.678 120.300 0.103 0.000 2.346 34 Y HA 0.353 4.903 4.550 0.000 0.000 0.332 34 Y C 0.140 176.087 175.900 0.078 0.000 0.985 34 Y CA -0.663 57.499 58.100 0.103 0.000 1.112 34 Y CB 1.172 39.737 38.460 0.175 0.000 1.170 34 Y HN 0.677 nan 8.280 nan 0.000 0.447 35 Q N 4.523 124.046 119.800 -0.463 0.000 2.453 35 Q HA -0.271 4.069 4.340 -0.000 0.000 0.294 35 Q C 1.097 177.005 176.000 -0.154 0.000 1.295 35 Q CA 1.153 56.748 55.803 -0.347 0.000 0.853 35 Q CB -1.651 26.860 28.738 -0.379 0.000 1.193 35 Q HN 1.376 nan 8.270 nan 0.000 0.461 36 G N -0.024 108.698 108.800 -0.130 0.000 2.212 36 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.266 36 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.266 36 G C 0.084 174.923 174.900 -0.102 0.000 0.978 36 G CA 0.849 45.882 45.100 -0.112 0.000 0.632 36 G HN 0.417 nan 8.290 nan 0.000 0.537 37 K N 1.525 121.876 120.400 -0.083 0.000 2.138 37 K HA 0.597 4.917 4.320 -0.000 0.000 0.263 37 K C -2.540 173.845 176.600 -0.358 0.000 0.965 37 K CA -2.191 53.979 56.287 -0.194 0.000 0.868 37 K CB 2.402 34.789 32.500 -0.187 0.000 1.083 37 K HN 0.087 nan 8.250 nan 0.000 0.443 38 P HA 0.216 nan 4.420 nan 0.000 0.290 38 P C -1.579 175.085 177.300 -1.060 0.000 1.275 38 P CA -0.385 62.358 63.100 -0.596 0.000 0.841 38 P CB 0.724 32.148 31.700 -0.460 0.000 1.042 39 Y N 0.775 120.784 120.300 -0.484 0.000 2.442 39 Y HA 0.461 5.011 4.550 -0.000 0.000 0.344 39 Y C -0.135 175.358 175.900 -0.679 0.000 0.976 39 Y CA -0.443 57.371 58.100 -0.477 0.000 1.040 39 Y CB 1.914 40.292 38.460 -0.137 0.000 1.228 39 Y HN 0.288 nan 8.280 nan 0.000 0.451 40 Y N 2.309 122.411 120.300 -0.330 0.000 2.468 40 Y HA 0.721 5.271 4.550 -0.000 0.000 0.342 40 Y C -1.039 174.444 175.900 -0.696 0.000 1.021 40 Y CA -1.283 56.654 58.100 -0.272 0.000 1.079 40 Y CB 1.691 40.080 38.460 -0.118 0.000 1.226 40 Y HN 0.392 nan 8.280 nan 0.000 0.460 41 F N 0.259 120.313 119.950 0.174 0.000 2.581 41 F HA 0.654 5.181 4.527 -0.000 0.000 0.311 41 F C -0.380 175.327 175.800 -0.155 0.000 1.113 41 F CA -0.941 56.985 58.000 -0.124 0.000 0.935 41 F CB 2.523 41.443 39.000 -0.134 0.000 1.232 41 F HN 0.387 nan 8.300 nan 0.000 0.445 42 T N -1.529 112.841 114.554 -0.308 0.000 2.909 42 T HA 0.647 4.997 4.350 -0.000 0.000 0.299 42 T C -1.612 172.951 174.700 -0.229 0.000 1.073 42 T CA -0.774 61.306 62.100 -0.034 0.000 0.999 42 T CB 1.879 70.791 68.868 0.074 0.000 1.098 42 T HN 0.634 nan 8.240 nan 0.000 0.477 43 W N 0.492 121.877 121.300 0.142 0.000 3.138 43 W HA 0.499 5.159 4.660 -0.000 0.000 0.331 43 W C 0.774 177.318 176.519 0.042 0.000 1.166 43 W CA -0.240 57.151 57.345 0.075 0.000 1.212 43 W CB 1.821 31.324 29.460 0.073 0.000 1.399 43 W HN 1.410 nan 8.180 nan 0.000 0.514 44 G N 1.577 110.463 108.800 0.144 0.000 2.562 44 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.250 44 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.250 44 G C -1.521 173.340 174.900 -0.066 0.000 1.269 44 G CA -0.310 44.742 45.100 -0.079 0.000 0.919 44 G HN 0.563 nan 8.290 nan 0.000 0.574 45 Y N 0.073 120.463 120.300 0.149 0.000 2.429 45 Y HA 0.566 5.116 4.550 -0.000 0.000 0.342 45 Y C 1.330 177.332 175.900 0.170 0.000 1.004 45 Y CA -0.432 57.747 58.100 0.132 0.000 1.075 45 Y CB 2.014 40.520 38.460 0.076 0.000 1.214 45 Y HN 0.805 nan 8.280 nan 0.000 0.455 46 A N 0.947 123.973 122.820 0.343 0.000 1.935 46 A HA -0.046 4.274 4.320 -0.000 0.000 0.214 46 A C 0.238 178.019 177.584 0.328 0.000 1.178 46 A CA 1.279 53.457 52.037 0.234 0.000 0.640 46 A CB 0.073 19.149 19.000 0.128 0.000 0.825 46 A HN 0.673 nan 8.150 nan 0.000 0.447 47 D N -1.056 119.527 120.400 0.306 0.000 2.575 47 D HA 0.406 5.046 4.640 -0.000 0.000 0.250 47 D C 0.577 176.929 176.300 0.088 0.000 1.279 47 D CA -0.461 53.736 54.000 0.329 0.000 0.925 47 D CB 0.841 41.826 40.800 0.308 0.000 1.261 47 D HN 0.141 nan 8.370 nan 0.000 0.567 48 I N 2.320 122.946 120.570 0.093 0.000 2.252 48 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 48 I C 2.429 178.420 176.117 -0.210 0.000 1.102 48 I CA 1.074 62.282 61.300 -0.153 0.000 1.385 48 I CB -0.063 37.804 38.000 -0.222 0.000 1.064 48 I HN 0.448 nan 8.210 nan 0.000 0.414 49 A N 1.103 123.863 122.820 -0.100 0.000 1.883 49 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 49 A C 2.190 179.696 177.584 -0.131 0.000 1.186 49 A CA 1.688 53.657 52.037 -0.113 0.000 0.624 49 A CB -0.427 18.509 19.000 -0.106 0.000 0.822 49 A HN 0.366 nan 8.150 nan 0.000 0.444 50 K N -0.718 119.616 120.400 -0.109 0.000 2.444 50 K HA 0.106 4.426 4.320 -0.000 0.000 0.193 50 K C -0.300 176.191 176.600 -0.182 0.000 1.024 50 K CA 0.207 56.436 56.287 -0.096 0.000 1.077 50 K CB 0.098 32.588 32.500 -0.017 0.000 0.833 50 K HN 0.409 nan 8.250 nan 0.000 0.517 51 K N 1.675 121.834 120.400 -0.402 0.000 3.071 51 K HA -0.225 4.095 4.320 -0.000 0.000 0.262 51 K C -0.932 175.470 176.600 -0.330 0.000 0.977 51 K CA 0.588 56.389 56.287 -0.811 0.000 0.721 51 K CB -1.412 30.775 32.500 -0.521 0.000 1.293 51 K HN 0.390 nan 8.250 nan 0.000 0.475 52 Q N 0.951 120.678 119.800 -0.122 0.000 2.294 52 Q HA 0.203 4.543 4.340 -0.000 0.000 0.257 52 Q C -2.042 174.117 176.000 0.266 0.000 0.955 52 Q CA -1.949 53.904 55.803 0.085 0.000 0.936 52 Q CB 1.050 29.840 28.738 0.088 0.000 1.188 52 Q HN 0.119 nan 8.270 nan 0.000 0.420 53 P HA 0.007 nan 4.420 nan 0.000 0.274 53 P C -0.341 177.092 177.300 0.223 0.000 1.231 53 P CA -0.203 63.082 63.100 0.308 0.000 0.790 53 P CB 0.891 32.710 31.700 0.199 0.000 0.951 54 V N 2.724 122.779 119.914 0.236 0.000 2.637 54 V HA 0.237 4.357 4.120 -0.000 0.000 0.296 54 V C 1.241 177.447 176.094 0.187 0.000 1.046 54 V CA 0.776 63.225 62.300 0.248 0.000 1.066 54 V CB 0.455 32.504 31.823 0.376 0.000 0.968 54 V HN 0.905 nan 8.190 nan 0.000 0.483 55 T N 1.376 116.025 114.554 0.158 0.000 2.804 55 T HA 0.357 4.707 4.350 -0.000 0.000 0.290 55 T C 0.437 175.185 174.700 0.079 0.000 1.099 55 T CA -0.728 61.423 62.100 0.086 0.000 1.011 55 T CB 1.627 70.517 68.868 0.037 0.000 1.291 55 T HN 0.414 nan 8.240 nan 0.000 0.523 56 Q N -0.294 119.493 119.800 -0.021 0.000 2.437 56 Q HA -0.014 4.326 4.340 -0.000 0.000 0.210 56 Q C 1.821 177.768 176.000 -0.087 0.000 0.972 56 Q CA 1.177 56.917 55.803 -0.105 0.000 0.903 56 Q CB -0.135 28.446 28.738 -0.262 0.000 0.967 56 Q HN 0.620 nan 8.270 nan 0.000 0.486 57 Q N -0.383 119.377 119.800 -0.067 0.000 2.319 57 Q HA 0.084 4.424 4.340 -0.000 0.000 0.202 57 Q C -0.153 175.833 176.000 -0.022 0.000 0.896 57 Q CA 0.079 55.812 55.803 -0.115 0.000 0.942 57 Q CB 0.853 29.508 28.738 -0.138 0.000 1.083 57 Q HN 0.140 nan 8.270 nan 0.000 0.510 58 T N 1.798 116.390 114.554 0.062 0.000 2.834 58 T HA 0.202 4.552 4.350 -0.000 0.000 0.298 58 T C -0.002 174.747 174.700 0.082 0.000 0.966 58 T CA 0.105 62.234 62.100 0.048 0.000 1.141 58 T CB 0.525 69.413 68.868 0.034 0.000 0.905 58 T HN 0.132 nan 8.240 nan 0.000 0.535 59 L N 4.094 125.318 121.223 0.002 0.000 2.292 59 L HA 0.503 4.843 4.340 -0.000 0.000 0.284 59 L C -0.589 176.271 176.870 -0.017 0.000 1.065 59 L CA -0.485 54.371 54.840 0.027 0.000 0.806 59 L CB 0.565 42.556 42.059 -0.114 0.000 1.175 59 L HN 0.561 nan 8.230 nan 0.000 0.431 60 F N 0.747 120.734 119.950 0.062 0.000 2.538 60 F HA 0.347 4.874 4.527 -0.000 0.000 0.325 60 F C 0.455 176.043 175.800 -0.354 0.000 1.066 60 F CA -0.843 57.168 58.000 0.019 0.000 0.946 60 F CB 1.489 40.636 39.000 0.245 0.000 1.199 60 F HN 0.384 nan 8.300 nan 0.000 0.473 61 E N 2.572 122.276 120.200 -0.827 0.000 2.290 61 E HA 0.174 4.524 4.350 -0.000 0.000 0.277 61 E C 0.387 176.900 176.600 -0.144 0.000 1.035 61 E CA -0.055 56.022 56.400 -0.539 0.000 0.873 61 E CB 0.915 30.165 29.700 -0.751 0.000 1.029 61 E HN 0.608 nan 8.360 nan 0.000 0.419 62 L N 2.735 123.949 121.223 -0.015 0.000 2.509 62 L HA 0.101 4.441 4.340 -0.000 0.000 0.222 62 L C 1.404 178.367 176.870 0.154 0.000 1.123 62 L CA 0.359 55.262 54.840 0.104 0.000 0.856 62 L CB -0.785 41.336 42.059 0.103 0.000 0.985 62 L HN 0.897 nan 8.230 nan 0.000 0.456 63 G N 1.034 109.925 108.800 0.152 0.000 2.596 63 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.295 63 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.295 63 G C 0.933 175.976 174.900 0.238 0.000 1.240 63 G CA 0.104 45.327 45.100 0.205 0.000 0.985 63 G HN 0.358 nan 8.290 nan 0.000 0.555 64 G N -0.853 108.090 108.800 0.237 0.000 2.535 64 G HA2 0.125 4.085 3.960 -0.000 0.000 0.218 64 G HA3 0.125 4.085 3.960 -0.000 0.000 0.218 64 G C 1.682 176.720 174.900 0.230 0.000 1.122 64 G CA 1.788 47.051 45.100 0.271 0.000 0.769 64 G HN 1.217 nan 8.290 nan 0.000 0.549 65 V N 0.971 121.008 119.914 0.205 0.000 2.913 65 V HA -0.151 3.969 4.120 -0.000 0.000 0.260 65 V C 2.854 179.082 176.094 0.223 0.000 1.098 65 V CA 1.815 64.222 62.300 0.178 0.000 1.121 65 V CB -0.219 31.733 31.823 0.215 0.000 0.714 65 V HN 0.363 nan 8.190 nan 0.000 0.487 66 S N -0.127 115.719 115.700 0.243 0.000 2.419 66 S HA -0.220 4.249 4.470 -0.000 0.000 0.235 66 S C 1.908 176.678 174.600 0.283 0.000 1.019 66 S CA 1.242 59.609 58.200 0.279 0.000 0.982 66 S CB -0.256 63.040 63.200 0.160 0.000 0.789 66 S HN 0.643 nan 8.310 nan 0.000 0.490 67 K N 0.956 121.478 120.400 0.202 0.000 2.280 67 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 67 K C 2.417 179.062 176.600 0.075 0.000 1.047 67 K CA 1.560 57.947 56.287 0.168 0.000 0.942 67 K CB -0.441 32.179 32.500 0.200 0.000 0.739 67 K HN 0.611 nan 8.250 nan 0.000 0.457 68 T N -1.345 113.164 114.554 -0.076 0.000 2.904 68 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 68 T C 1.721 176.440 174.700 0.032 0.000 1.059 68 T CA 0.757 62.633 62.100 -0.374 0.000 1.137 68 T CB -0.326 67.908 68.868 -1.057 0.000 0.879 68 T HN 0.031 nan 8.240 nan 0.000 0.467 69 F N 2.055 122.061 119.950 0.094 0.000 2.206 69 F HA 0.075 4.602 4.527 -0.000 0.000 0.298 69 F C 2.986 178.850 175.800 0.107 0.000 1.090 69 F CA 1.204 59.225 58.000 0.035 0.000 1.323 69 F CB -0.978 37.923 39.000 -0.164 0.000 1.028 69 F HN 0.126 nan 8.300 nan 0.000 0.492 70 T N -0.572 114.187 114.554 0.340 0.000 2.788 70 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 70 T C 2.365 177.260 174.700 0.325 0.000 1.044 70 T CA 1.379 63.692 62.100 0.355 0.000 1.139 70 T CB -0.962 68.116 68.868 0.350 0.000 0.867 70 T HN 0.438 nan 8.240 nan 0.000 0.454 71 G N 0.881 109.834 108.800 0.255 0.000 2.418 71 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.217 71 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.217 71 G C 1.686 176.740 174.900 0.257 0.000 1.158 71 G CA 0.735 45.975 45.100 0.233 0.000 0.771 71 G HN 0.431 nan 8.290 nan 0.000 0.545 72 V N 0.516 120.592 119.914 0.269 0.000 2.427 72 V HA -0.074 4.046 4.120 -0.000 0.000 0.248 72 V C 2.654 178.865 176.094 0.195 0.000 1.051 72 V CA 1.442 63.907 62.300 0.275 0.000 1.048 72 V CB -0.209 31.873 31.823 0.431 0.000 0.666 72 V HN 0.345 nan 8.190 nan 0.000 0.456 73 L N 1.238 122.552 121.223 0.152 0.000 2.083 73 L HA -0.017 4.323 4.340 -0.000 0.000 0.209 73 L C 2.294 179.176 176.870 0.020 0.000 1.083 73 L CA 2.386 57.236 54.840 0.016 0.000 0.752 73 L CB -1.169 40.813 42.059 -0.129 0.000 0.899 73 L HN 0.265 nan 8.230 nan 0.000 0.433 74 G N -1.168 107.705 108.800 0.123 0.000 2.402 74 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 74 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 74 G C 1.523 176.526 174.900 0.172 0.000 1.162 74 G CA 0.510 45.702 45.100 0.155 0.000 0.777 74 G HN 0.574 nan 8.290 nan 0.000 0.539 75 G N 0.619 109.530 108.800 0.185 0.000 2.422 75 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 75 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 75 G C 1.446 176.398 174.900 0.087 0.000 1.146 75 G CA 1.378 46.563 45.100 0.142 0.000 0.769 75 G HN 0.511 nan 8.290 nan 0.000 0.547 76 D N 0.458 120.898 120.400 0.066 0.000 2.144 76 D HA 0.068 4.708 4.640 -0.000 0.000 0.200 76 D C 2.626 178.926 176.300 0.002 0.000 0.978 76 D CA 1.328 55.345 54.000 0.028 0.000 0.833 76 D CB -0.239 40.569 40.800 0.012 0.000 0.961 76 D HN 0.239 nan 8.370 nan 0.000 0.470 77 A N -0.078 122.731 122.820 -0.017 0.000 1.969 77 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 77 A C 2.278 179.852 177.584 -0.017 0.000 1.169 77 A CA 0.833 52.843 52.037 -0.046 0.000 0.635 77 A CB -0.648 18.287 19.000 -0.108 0.000 0.810 77 A HN 0.374 nan 8.150 nan 0.000 0.445 78 I N -0.281 120.299 120.570 0.017 0.000 2.202 78 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 78 I C 2.960 179.097 176.117 0.033 0.000 1.091 78 I CA 1.012 62.334 61.300 0.037 0.000 1.368 78 I CB -0.314 37.728 38.000 0.071 0.000 1.058 78 I HN 0.334 nan 8.210 nan 0.000 0.410 79 A N 0.847 123.687 122.820 0.033 0.000 1.940 79 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 79 A C 2.302 179.894 177.584 0.014 0.000 1.176 79 A CA 1.507 53.559 52.037 0.025 0.000 0.631 79 A CB -0.596 18.419 19.000 0.024 0.000 0.814 79 A HN 0.347 nan 8.150 nan 0.000 0.446 80 R N -1.345 119.159 120.500 0.006 0.000 2.316 80 R HA 0.131 4.471 4.340 -0.000 0.000 0.202 80 R C 1.302 177.606 176.300 0.006 0.000 1.029 80 R CA 0.522 56.621 56.100 -0.001 0.000 1.018 80 R CB -0.263 30.028 30.300 -0.015 0.000 0.888 80 R HN 0.729 nan 8.270 nan 0.000 0.471 81 G N 1.041 109.850 108.800 0.015 0.000 2.143 81 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.248 81 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.248 81 G C 0.516 175.435 174.900 0.033 0.000 0.991 81 G CA 0.560 45.676 45.100 0.026 0.000 0.689 81 G HN 0.459 nan 8.290 nan 0.000 0.522 82 E N -0.633 119.577 120.200 0.018 0.000 2.170 82 E HA 0.250 4.600 4.350 -0.000 0.000 0.191 82 E C 1.524 178.155 176.600 0.051 0.000 0.981 82 E CA 1.134 57.547 56.400 0.022 0.000 0.830 82 E CB 0.202 29.888 29.700 -0.023 0.000 0.775 82 E HN 0.901 nan 8.360 nan 0.000 0.470 83 I N -2.638 117.934 120.570 0.004 0.000 3.074 83 I HA 0.494 4.664 4.170 -0.000 0.000 0.310 83 I C -1.270 174.881 176.117 0.056 0.000 1.153 83 I CA -1.223 60.061 61.300 -0.026 0.000 0.993 83 I CB 2.308 40.101 38.000 -0.345 0.000 1.237 83 I HN -0.355 nan 8.210 nan 0.000 0.443 84 K N 2.856 123.335 120.400 0.131 0.000 2.371 84 K HA 0.502 4.822 4.320 -0.000 0.000 0.251 84 K C 0.075 176.748 176.600 0.122 0.000 0.934 84 K CA -0.779 55.581 56.287 0.123 0.000 0.798 84 K CB 2.953 35.536 32.500 0.139 0.000 1.204 84 K HN 0.634 nan 8.250 nan 0.000 0.427 85 L N 1.014 122.288 121.223 0.086 0.000 2.376 85 L HA -0.135 4.205 4.340 -0.000 0.000 0.219 85 L C 1.939 178.839 176.870 0.050 0.000 1.133 85 L CA 1.145 56.017 54.840 0.054 0.000 0.816 85 L CB -0.231 41.813 42.059 -0.025 0.000 0.933 85 L HN 0.680 nan 8.230 nan 0.000 0.449 86 S N -2.681 113.062 115.700 0.071 0.000 2.562 86 S HA 0.015 4.485 4.470 -0.000 0.000 0.221 86 S C 0.533 175.199 174.600 0.110 0.000 0.975 86 S CA -0.229 58.010 58.200 0.066 0.000 0.918 86 S CB -0.305 62.931 63.200 0.061 0.000 0.772 86 S HN 0.209 nan 8.310 nan 0.000 0.531 87 D N 3.827 124.333 120.400 0.176 0.000 2.304 87 D HA 0.355 4.995 4.640 -0.000 0.000 0.247 87 D C -2.471 173.975 176.300 0.244 0.000 1.089 87 D CA -1.778 52.353 54.000 0.218 0.000 0.910 87 D CB 0.960 41.964 40.800 0.339 0.000 1.199 87 D HN 0.152 nan 8.370 nan 0.000 0.426 88 P HA -0.001 nan 4.420 nan 0.000 0.269 88 P C 0.639 178.089 177.300 0.249 0.000 1.209 88 P CA -0.101 63.118 63.100 0.200 0.000 0.776 88 P CB 0.649 32.428 31.700 0.133 0.000 0.876 89 T N 1.000 115.732 114.554 0.298 0.000 2.759 89 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 89 T C 1.757 176.583 174.700 0.211 0.000 1.042 89 T CA 2.531 64.812 62.100 0.301 0.000 1.140 89 T CB -0.980 68.076 68.868 0.312 0.000 0.864 89 T HN 0.660 nan 8.240 nan 0.000 0.455 90 T N 0.415 115.046 114.554 0.128 0.000 2.962 90 T HA -0.030 4.320 4.350 -0.000 0.000 0.270 90 T C 1.778 176.474 174.700 -0.006 0.000 1.088 90 T CA 1.094 63.220 62.100 0.044 0.000 1.127 90 T CB -0.263 68.617 68.868 0.021 0.000 0.883 90 T HN 0.402 nan 8.240 nan 0.000 0.493 91 K N 0.078 120.417 120.400 -0.102 0.000 2.147 91 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 91 K C 1.159 177.479 176.600 -0.466 0.000 1.049 91 K CA 1.232 57.308 56.287 -0.353 0.000 0.936 91 K CB -0.175 31.967 32.500 -0.597 0.000 0.722 91 K HN 0.559 nan 8.250 nan 0.000 0.446 92 Y N -2.400 117.938 120.300 0.064 0.000 2.449 92 Y HA 0.113 4.663 4.550 -0.000 0.000 0.254 92 Y C 0.218 176.172 175.900 0.090 0.000 1.140 92 Y CA -0.475 57.648 58.100 0.038 0.000 1.272 92 Y CB 0.512 38.968 38.460 -0.007 0.000 1.114 92 Y HN 0.121 nan 8.280 nan 0.000 0.525 93 W N 4.035 125.328 121.300 -0.011 0.000 2.237 93 W HA 0.385 5.045 4.660 -0.000 0.000 0.289 93 W C -2.303 174.162 176.519 -0.090 0.000 0.988 93 W CA -3.588 53.715 57.345 -0.070 0.000 1.671 93 W CB 0.969 30.342 29.460 -0.145 0.000 1.746 93 W HN -0.152 nan 8.180 nan 0.000 0.380 94 P HA -0.216 nan 4.420 nan 0.000 0.219 94 P C 0.577 177.840 177.300 -0.063 0.000 1.146 94 P CA 1.850 64.966 63.100 0.025 0.000 0.808 94 P CB 0.511 32.233 31.700 0.035 0.000 0.779 95 E N -0.559 119.581 120.200 -0.099 0.000 2.427 95 E HA -0.014 4.336 4.350 -0.000 0.000 0.196 95 E C 0.810 177.124 176.600 -0.477 0.000 1.028 95 E CA 0.069 56.331 56.400 -0.229 0.000 0.864 95 E CB -0.593 29.023 29.700 -0.141 0.000 0.813 95 E HN 0.138 nan 8.360 nan 0.000 0.514 96 L N 1.870 122.664 121.223 -0.714 0.000 2.387 96 L HA 0.111 4.451 4.340 -0.000 0.000 0.267 96 L C 0.747 177.388 176.870 -0.382 0.000 1.197 96 L CA 0.376 54.738 54.840 -0.796 0.000 1.070 96 L CB -0.151 41.235 42.059 -1.122 0.000 1.349 96 L HN 0.032 nan 8.230 nan 0.000 0.422 97 T N -0.277 114.139 114.554 -0.231 0.000 3.060 97 T HA 0.366 4.716 4.350 -0.000 0.000 0.249 97 T C 0.919 175.629 174.700 0.016 0.000 1.079 97 T CA 0.223 62.276 62.100 -0.079 0.000 1.013 97 T CB 0.001 68.828 68.868 -0.067 0.000 0.975 97 T HN 0.534 nan 8.240 nan 0.000 0.518 98 A N 2.806 125.663 122.820 0.062 0.000 2.531 98 A HA 0.287 4.607 4.320 -0.000 0.000 0.236 98 A C 1.689 179.399 177.584 0.210 0.000 1.062 98 A CA -0.074 52.055 52.037 0.154 0.000 0.760 98 A CB 0.244 19.378 19.000 0.223 0.000 0.995 98 A HN 0.621 nan 8.150 nan 0.000 0.501 99 K N 1.755 122.222 120.400 0.111 0.000 2.211 99 K HA -0.227 4.093 4.320 -0.000 0.000 0.204 99 K C 1.342 177.980 176.600 0.063 0.000 1.047 99 K CA 1.621 57.956 56.287 0.080 0.000 0.935 99 K CB -0.086 32.431 32.500 0.029 0.000 0.728 99 K HN 0.829 nan 8.250 nan 0.000 0.452 100 Q N 0.168 119.978 119.800 0.018 0.000 2.437 100 Q HA -0.144 4.196 4.340 -0.000 0.000 0.210 100 Q C 0.752 176.647 176.000 -0.174 0.000 0.972 100 Q CA 1.021 56.738 55.803 -0.144 0.000 0.903 100 Q CB -0.391 28.151 28.738 -0.327 0.000 0.967 100 Q HN 0.582 nan 8.270 nan 0.000 0.486 101 W N 1.717 123.073 121.300 0.093 0.000 3.003 101 W HA 0.185 4.845 4.660 -0.000 0.000 0.257 101 W C 0.101 176.684 176.519 0.107 0.000 1.308 101 W CA -0.609 56.815 57.345 0.131 0.000 1.529 101 W CB 0.227 29.744 29.460 0.096 0.000 1.115 101 W HN -0.029 nan 8.180 nan 0.000 0.659 102 N N 0.808 119.640 118.700 0.221 0.000 2.452 102 N HA 0.239 4.979 4.740 -0.000 0.000 0.266 102 N C 1.103 176.700 175.510 0.144 0.000 1.209 102 N CA 1.536 54.685 53.050 0.165 0.000 0.929 102 N CB 0.842 39.393 38.487 0.107 0.000 1.063 102 N HN 0.244 nan 8.380 nan 0.000 0.472 103 G N 1.656 110.562 108.800 0.177 0.000 2.213 103 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.226 103 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.226 103 G C 0.081 175.146 174.900 0.274 0.000 0.992 103 G CA -0.463 44.749 45.100 0.187 0.000 0.632 103 G HN 0.534 nan 8.290 nan 0.000 0.511 104 I N 3.067 123.820 120.570 0.304 0.000 2.312 104 I HA 0.427 4.597 4.170 -0.000 0.000 0.291 104 I C 1.097 177.510 176.117 0.494 0.000 1.031 104 I CA 0.108 61.672 61.300 0.440 0.000 1.293 104 I CB 1.265 39.463 38.000 0.329 0.000 1.403 104 I HN 0.306 nan 8.210 nan 0.000 0.484 105 T N 3.018 117.896 114.554 0.540 0.000 2.948 105 T HA 0.462 4.812 4.350 -0.000 0.000 0.285 105 T C 1.208 176.031 174.700 0.204 0.000 1.019 105 T CA -0.886 61.360 62.100 0.243 0.000 1.013 105 T CB 1.509 70.389 68.868 0.020 0.000 1.117 105 T HN 0.415 nan 8.240 nan 0.000 0.533 106 L N 0.372 121.711 121.223 0.193 0.000 2.127 106 L HA -0.037 4.303 4.340 -0.000 0.000 0.211 106 L C 2.541 179.425 176.870 0.024 0.000 1.089 106 L CA 0.920 55.887 54.840 0.212 0.000 0.757 106 L CB -0.802 41.413 42.059 0.260 0.000 0.899 106 L HN 0.603 nan 8.230 nan 0.000 0.434 107 L N -0.486 120.683 121.223 -0.089 0.000 2.012 107 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 107 L C 2.725 179.539 176.870 -0.093 0.000 1.073 107 L CA 1.926 56.643 54.840 -0.204 0.000 0.748 107 L CB -0.806 41.135 42.059 -0.197 0.000 0.891 107 L HN 0.264 nan 8.230 nan 0.000 0.431 108 H N -0.413 118.721 119.070 0.107 0.000 2.387 108 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 108 H C 2.367 177.693 175.328 -0.003 0.000 1.090 108 H CA 1.921 58.024 56.048 0.091 0.000 1.332 108 H CB -0.414 29.423 29.762 0.125 0.000 1.386 108 H HN 0.386 nan 8.280 nan 0.000 0.516 109 L N 0.169 121.474 121.223 0.137 0.000 2.056 109 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 109 L C 2.852 179.635 176.870 -0.144 0.000 1.078 109 L CA 0.966 55.851 54.840 0.075 0.000 0.749 109 L CB -0.544 41.631 42.059 0.193 0.000 0.901 109 L HN 0.199 nan 8.230 nan 0.000 0.433 110 A N -0.196 122.364 122.820 -0.432 0.000 2.019 110 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 110 A C 2.092 179.249 177.584 -0.711 0.000 1.164 110 A CA 1.990 53.530 52.037 -0.829 0.000 0.644 110 A CB -0.669 17.438 19.000 -1.489 0.000 0.805 110 A HN 0.521 nan 8.150 nan 0.000 0.449 111 T N -6.404 107.853 114.554 -0.495 0.000 3.129 111 T HA 0.325 4.674 4.350 -0.000 0.000 0.267 111 T C 0.273 174.751 174.700 -0.371 0.000 1.018 111 T CA 0.238 62.074 62.100 -0.440 0.000 0.903 111 T CB -0.774 68.136 68.868 0.070 0.000 1.067 111 T HN 0.676 nan 8.240 nan 0.000 0.549 112 Y N 0.939 121.225 120.300 -0.023 0.000 4.272 112 Y HA -0.274 4.276 4.550 -0.000 0.000 0.232 112 Y C 1.167 177.029 175.900 -0.065 0.000 1.149 112 Y CA 0.518 58.604 58.100 -0.023 0.000 1.961 112 Y CB -2.909 35.555 38.460 0.005 0.000 1.611 112 Y HN 0.589 nan 8.280 nan 0.000 0.682 113 T N -4.199 110.346 114.554 -0.015 0.000 3.215 113 T HA 0.654 5.004 4.350 -0.000 0.000 0.271 113 T C 1.320 175.979 174.700 -0.067 0.000 1.012 113 T CA 0.148 62.159 62.100 -0.148 0.000 0.899 113 T CB 0.809 69.352 68.868 -0.543 0.000 1.089 113 T HN 0.475 nan 8.240 nan 0.000 0.552 114 A N 1.258 124.102 122.820 0.040 0.000 2.119 114 A HA 0.576 4.896 4.320 -0.000 0.000 0.217 114 A C 1.880 179.524 177.584 0.101 0.000 1.153 114 A CA 0.607 52.650 52.037 0.010 0.000 0.692 114 A CB -0.784 18.225 19.000 0.015 0.000 0.799 114 A HN 1.462 nan 8.150 nan 0.000 0.458 115 G N -3.139 105.798 108.800 0.229 0.000 2.188 115 G HA2 0.400 4.360 3.960 -0.000 0.000 0.112 115 G HA3 0.400 4.360 3.960 -0.000 0.000 0.112 115 G C 0.972 176.187 174.900 0.525 0.000 1.048 115 G CA 0.345 45.680 45.100 0.391 0.000 0.720 115 G HN 1.969 nan 8.290 nan 0.000 0.487 116 G N -0.830 108.302 108.800 0.554 0.000 2.145 116 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.176 116 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.176 116 G C 0.427 175.603 174.900 0.460 0.000 1.013 116 G CA -0.023 45.355 45.100 0.463 0.000 0.689 116 G HN 1.225 nan 8.290 nan 0.000 0.506 117 L N 1.880 123.235 121.223 0.220 0.000 2.514 117 L HA 0.257 4.597 4.340 -0.000 0.000 0.280 117 L C -0.783 176.172 176.870 0.142 0.000 1.223 117 L CA -1.246 53.533 54.840 -0.101 0.000 0.864 117 L CB 0.350 42.266 42.059 -0.239 0.000 1.118 117 L HN 0.109 nan 8.230 nan 0.000 0.494 118 P HA -0.040 nan 4.420 nan 0.000 0.272 118 P C 0.544 177.928 177.300 0.139 0.000 1.223 118 P CA -0.509 62.709 63.100 0.197 0.000 0.784 118 P CB 1.085 32.933 31.700 0.246 0.000 0.923 119 L N 0.918 122.210 121.223 0.115 0.000 2.043 119 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 119 L C 0.833 177.739 176.870 0.061 0.000 1.075 119 L CA 2.086 56.974 54.840 0.080 0.000 0.752 119 L CB -0.588 41.527 42.059 0.093 0.000 0.891 119 L HN 0.387 nan 8.230 nan 0.000 0.432 120 Q N -0.873 118.960 119.800 0.055 0.000 2.413 120 Q HA 0.414 4.754 4.340 -0.000 0.000 0.276 120 Q C -0.931 175.048 176.000 -0.034 0.000 1.099 120 Q CA -0.837 54.980 55.803 0.023 0.000 0.814 120 Q CB 2.088 30.825 28.738 -0.001 0.000 1.379 120 Q HN -0.104 nan 8.270 nan 0.000 0.436 121 V N 3.034 122.889 119.914 -0.099 0.000 2.614 121 V HA 0.180 4.300 4.120 -0.000 0.000 0.291 121 V C -1.977 173.925 176.094 -0.320 0.000 1.049 121 V CA -1.239 60.834 62.300 -0.378 0.000 1.038 121 V CB 0.715 32.339 31.823 -0.331 0.000 0.980 121 V HN 0.598 nan 8.190 nan 0.000 0.481 122 P HA -0.009 nan 4.420 nan 0.000 0.265 122 P C 0.541 177.745 177.300 -0.160 0.000 1.187 122 P CA 0.172 63.141 63.100 -0.218 0.000 0.766 122 P CB 0.438 32.016 31.700 -0.204 0.000 0.820 123 D N 1.967 122.319 120.400 -0.080 0.000 2.263 123 D HA -0.185 4.455 4.640 -0.000 0.000 0.208 123 D C 1.056 177.331 176.300 -0.042 0.000 0.971 123 D CA 1.457 55.430 54.000 -0.045 0.000 0.867 123 D CB 0.038 40.828 40.800 -0.017 0.000 0.929 123 D HN 0.323 nan 8.370 nan 0.000 0.492 124 E N -0.696 119.476 120.200 -0.047 0.000 2.347 124 E HA 0.053 4.403 4.350 -0.000 0.000 0.196 124 E C 0.114 176.692 176.600 -0.037 0.000 1.008 124 E CA 0.097 56.480 56.400 -0.029 0.000 0.852 124 E CB 0.305 29.996 29.700 -0.016 0.000 0.783 124 E HN 0.114 nan 8.360 nan 0.000 0.505 125 V N 1.559 121.425 119.914 -0.081 0.000 2.455 125 V HA 0.075 4.195 4.120 -0.000 0.000 0.273 125 V C 0.824 176.889 176.094 -0.048 0.000 1.045 125 V CA 0.469 62.720 62.300 -0.080 0.000 0.976 125 V CB 1.214 32.916 31.823 -0.203 0.000 0.993 125 V HN 0.133 nan 8.190 nan 0.000 0.475 126 K N 2.050 122.443 120.400 -0.012 0.000 2.606 126 K HA 0.162 4.482 4.320 -0.000 0.000 0.199 126 K C 1.004 177.610 176.600 0.011 0.000 1.403 126 K CA 0.301 56.586 56.287 -0.003 0.000 1.011 126 K CB 0.436 32.937 32.500 0.002 0.000 1.623 126 K HN 0.695 nan 8.250 nan 0.000 0.512 127 S N 0.340 116.055 115.700 0.025 0.000 2.608 127 S HA 0.114 4.584 4.470 -0.000 0.000 0.261 127 S C 1.058 175.695 174.600 0.061 0.000 1.314 127 S CA -0.375 57.846 58.200 0.035 0.000 0.992 127 S CB 1.478 64.701 63.200 0.039 0.000 0.935 127 S HN 0.088 nan 8.310 nan 0.000 0.564 128 S N 0.946 116.684 115.700 0.063 0.000 2.382 128 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 128 S C 2.131 176.828 174.600 0.162 0.000 1.027 128 S CA 1.302 59.562 58.200 0.100 0.000 0.991 128 S CB -0.770 62.472 63.200 0.070 0.000 0.823 128 S HN 0.814 nan 8.310 nan 0.000 0.469 129 S N 1.485 117.258 115.700 0.121 0.000 2.368 129 S HA -0.165 4.305 4.470 -0.000 0.000 0.225 129 S C 1.475 176.154 174.600 0.132 0.000 1.030 129 S CA 1.396 59.669 58.200 0.121 0.000 0.999 129 S CB -0.534 62.715 63.200 0.081 0.000 0.844 129 S HN 0.383 nan 8.310 nan 0.000 0.459 130 D N 0.971 121.438 120.400 0.112 0.000 2.144 130 D HA -0.063 4.577 4.640 -0.000 0.000 0.199 130 D C 1.875 178.278 176.300 0.172 0.000 0.984 130 D CA 0.738 54.804 54.000 0.110 0.000 0.834 130 D CB -0.507 40.332 40.800 0.066 0.000 0.955 130 D HN 0.327 nan 8.370 nan 0.000 0.465 131 L N 0.518 121.868 121.223 0.210 0.000 2.046 131 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 131 L C 2.164 179.337 176.870 0.505 0.000 1.077 131 L CA 1.092 56.139 54.840 0.345 0.000 0.747 131 L CB -0.608 41.665 42.059 0.356 0.000 0.896 131 L HN 0.016 nan 8.230 nan 0.000 0.432 132 L N -0.517 120.970 121.223 0.441 0.000 2.017 132 L HA -0.201 4.138 4.340 -0.000 0.000 0.208 132 L C 2.637 179.575 176.870 0.113 0.000 1.073 132 L CA 1.704 56.688 54.840 0.240 0.000 0.745 132 L CB -0.575 41.576 42.059 0.153 0.000 0.894 132 L HN 0.196 nan 8.230 nan 0.000 0.432 133 R N -1.430 119.154 120.500 0.141 0.000 2.081 133 R HA -0.202 4.138 4.340 -0.000 0.000 0.235 133 R C 2.232 178.621 176.300 0.148 0.000 1.131 133 R CA 1.793 57.960 56.100 0.112 0.000 0.960 133 R CB -0.787 29.578 30.300 0.108 0.000 0.856 133 R HN 0.435 nan 8.270 nan 0.000 0.436 134 F N 0.615 120.585 119.950 0.034 0.000 2.069 134 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 134 F C 1.667 177.490 175.800 0.037 0.000 1.113 134 F CA 1.400 59.382 58.000 -0.029 0.000 1.214 134 F CB -0.513 38.379 39.000 -0.180 0.000 0.978 134 F HN -0.075 nan 8.300 nan 0.000 0.474 135 Y N 0.509 120.766 120.300 -0.072 0.000 2.242 135 Y HA -0.152 4.398 4.550 -0.000 0.000 0.291 135 Y C 2.617 178.632 175.900 0.191 0.000 1.137 135 Y CA 1.447 59.524 58.100 -0.038 0.000 1.181 135 Y CB -0.970 37.436 38.460 -0.091 0.000 0.989 135 Y HN 0.140 nan 8.280 nan 0.000 0.527 136 Q N 0.047 119.934 119.800 0.145 0.000 2.226 136 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 136 Q C 1.241 177.349 176.000 0.179 0.000 0.975 136 Q CA 1.347 57.233 55.803 0.138 0.000 0.866 136 Q CB -0.478 28.259 28.738 -0.002 0.000 0.915 136 Q HN 0.673 nan 8.270 nan 0.000 0.440 137 N N -0.936 117.838 118.700 0.124 0.000 2.373 137 N HA -0.038 4.702 4.740 -0.000 0.000 0.181 137 N C -0.078 175.465 175.510 0.055 0.000 1.082 137 N CA -0.394 52.700 53.050 0.072 0.000 0.885 137 N CB 0.185 38.707 38.487 0.058 0.000 0.977 137 N HN 0.160 nan 8.380 nan 0.000 0.462 138 W N 2.891 124.117 121.300 -0.122 0.000 2.251 138 W HA 0.071 4.731 4.660 -0.000 0.000 0.327 138 W C -0.572 175.857 176.519 -0.150 0.000 1.361 138 W CA 0.053 57.287 57.345 -0.186 0.000 1.234 138 W CB 0.542 29.842 29.460 -0.267 0.000 1.212 138 W HN -0.064 nan 8.180 nan 0.000 0.557 139 Q N 8.321 127.510 119.800 -1.020 0.000 2.331 139 Q HA 0.333 4.673 4.340 -0.000 0.000 0.267 139 Q C -2.090 172.995 176.000 -1.524 0.000 1.006 139 Q CA -2.087 53.077 55.803 -1.065 0.000 0.818 139 Q CB 1.484 29.893 28.738 -0.548 0.000 1.276 139 Q HN 0.399 nan 8.270 nan 0.000 0.450 140 P HA 0.091 nan 4.420 nan 0.000 0.271 140 P C -0.243 176.657 177.300 -0.667 0.000 1.218 140 P CA 0.055 62.492 63.100 -1.104 0.000 0.780 140 P CB 1.015 32.250 31.700 -0.776 0.000 0.901 141 A N 2.809 125.243 122.820 -0.644 0.000 2.021 141 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 141 A C 0.446 177.351 177.584 -1.132 0.000 1.163 141 A CA 0.662 52.085 52.037 -1.024 0.000 0.676 141 A CB -0.224 17.782 19.000 -1.656 0.000 0.818 141 A HN 0.598 nan 8.150 nan 0.000 0.453 142 W N -2.875 118.375 121.300 -0.082 0.000 3.042 142 W HA 0.637 5.297 4.660 -0.000 0.000 0.342 142 W C -0.042 176.420 176.519 -0.095 0.000 1.240 142 W CA -1.245 56.055 57.345 -0.075 0.000 1.166 142 W CB 0.952 30.382 29.460 -0.050 0.000 1.469 142 W HN 0.125 nan 8.180 nan 0.000 0.579 143 A N 2.388 125.299 122.820 0.152 0.000 2.366 143 A HA 0.573 4.893 4.320 -0.000 0.000 0.249 143 A C -2.223 175.368 177.584 0.012 0.000 1.084 143 A CA -0.823 51.239 52.037 0.041 0.000 0.794 143 A CB -0.711 18.310 19.000 0.036 0.000 1.034 143 A HN 0.135 nan 8.150 nan 0.000 0.491 144 P HA 0.291 nan 4.420 nan 0.000 0.269 144 P C 0.776 177.934 177.300 -0.236 0.000 1.209 144 P CA 1.553 64.475 63.100 -0.297 0.000 0.776 144 P CB 0.498 31.916 31.700 -0.471 0.000 0.876 145 G N 1.355 109.967 108.800 -0.313 0.000 2.221 145 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.265 145 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.265 145 G C 0.612 175.455 174.900 -0.094 0.000 1.041 145 G CA 0.745 45.819 45.100 -0.043 0.000 0.807 145 G HN 0.716 nan 8.290 nan 0.000 0.502 146 T N -5.352 109.099 114.554 -0.171 0.000 2.989 146 T HA 0.440 4.790 4.350 -0.000 0.000 0.250 146 T C 0.511 175.053 174.700 -0.262 0.000 0.981 146 T CA 0.737 62.758 62.100 -0.132 0.000 0.980 146 T CB 0.702 69.541 68.868 -0.048 0.000 1.133 146 T HN 0.270 nan 8.240 nan 0.000 0.489 147 Q N 0.929 120.525 119.800 -0.340 0.000 2.359 147 Q HA 0.485 4.825 4.340 -0.000 0.000 0.274 147 Q C -1.390 174.401 176.000 -0.348 0.000 1.074 147 Q CA -0.499 55.018 55.803 -0.476 0.000 0.810 147 Q CB 3.157 31.293 28.738 -1.005 0.000 1.342 147 Q HN 0.387 nan 8.270 nan 0.000 0.427 148 R N 2.152 122.481 120.500 -0.285 0.000 2.229 148 R HA 0.546 4.886 4.340 -0.000 0.000 0.328 148 R C -1.189 175.084 176.300 -0.046 0.000 1.009 148 R CA -0.548 55.476 56.100 -0.126 0.000 0.864 148 R CB 0.473 30.738 30.300 -0.060 0.000 1.085 148 R HN 0.459 nan 8.270 nan 0.000 0.453 149 L N 5.942 127.213 121.223 0.079 0.000 2.415 149 L HA 0.263 4.603 4.340 -0.000 0.000 0.268 149 L C -1.381 175.537 176.870 0.079 0.000 0.984 149 L CA -0.692 54.218 54.840 0.117 0.000 0.853 149 L CB 1.044 43.259 42.059 0.261 0.000 1.215 149 L HN 0.620 nan 8.230 nan 0.000 0.419 150 Y N 4.737 124.911 120.300 -0.210 0.000 2.881 150 Y HA 0.343 4.893 4.550 -0.000 0.000 0.335 150 Y C 0.096 175.822 175.900 -0.290 0.000 1.263 150 Y CA 1.041 58.794 58.100 -0.578 0.000 1.572 150 Y CB 0.434 38.619 38.460 -0.459 0.000 1.237 150 Y HN 0.822 nan 8.280 nan 0.000 0.568 151 A N 5.592 127.995 122.820 -0.694 0.000 2.513 151 A HA 0.294 4.613 4.320 -0.000 0.000 0.296 151 A C -0.164 177.326 177.584 -0.157 0.000 1.052 151 A CA -0.908 50.995 52.037 -0.223 0.000 0.714 151 A CB 0.874 19.899 19.000 0.041 0.000 1.279 151 A HN 0.779 nan 8.150 nan 0.000 0.397 152 N N 1.051 119.704 118.700 -0.077 0.000 2.270 152 N HA -0.130 4.610 4.740 -0.000 0.000 0.181 152 N C 1.959 177.539 175.510 0.116 0.000 1.016 152 N CA 1.842 54.918 53.050 0.043 0.000 0.870 152 N CB -0.060 38.511 38.487 0.141 0.000 0.979 152 N HN 0.826 nan 8.380 nan 0.000 0.431 153 S N -1.089 114.701 115.700 0.150 0.000 2.515 153 S HA 0.038 4.508 4.470 -0.000 0.000 0.231 153 S C 1.989 176.765 174.600 0.292 0.000 0.987 153 S CA 0.847 59.209 58.200 0.271 0.000 0.936 153 S CB 0.020 63.422 63.200 0.338 0.000 0.766 153 S HN 0.173 nan 8.310 nan 0.000 0.528 154 S N 1.225 117.044 115.700 0.197 0.000 2.357 154 S HA 0.256 4.726 4.470 -0.000 0.000 0.209 154 S C 1.621 176.307 174.600 0.142 0.000 1.023 154 S CA 0.416 58.718 58.200 0.171 0.000 0.933 154 S CB -0.544 62.777 63.200 0.202 0.000 0.897 154 S HN 0.548 nan 8.310 nan 0.000 0.529 155 I N 1.343 121.995 120.570 0.136 0.000 2.493 155 I HA -0.015 4.155 4.170 -0.000 0.000 0.254 155 I C 2.124 178.318 176.117 0.128 0.000 1.160 155 I CA 1.243 62.609 61.300 0.110 0.000 1.445 155 I CB -0.580 37.468 38.000 0.078 0.000 1.086 155 I HN 0.479 nan 8.210 nan 0.000 0.433 156 G N 0.939 109.783 108.800 0.073 0.000 2.418 156 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.217 156 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.217 156 G C 1.542 176.401 174.900 -0.068 0.000 1.158 156 G CA 0.942 46.021 45.100 -0.036 0.000 0.771 156 G HN 0.394 nan 8.290 nan 0.000 0.545 157 L N -0.316 120.915 121.223 0.014 0.000 2.093 157 L HA 0.168 4.508 4.340 -0.000 0.000 0.208 157 L C 2.420 179.244 176.870 -0.077 0.000 1.085 157 L CA 1.424 56.209 54.840 -0.091 0.000 0.755 157 L CB -0.703 41.254 42.059 -0.171 0.000 0.904 157 L HN 0.222 nan 8.230 nan 0.000 0.435 158 F N 0.500 120.387 119.950 -0.104 0.000 2.091 158 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 158 F C 2.165 177.904 175.800 -0.102 0.000 1.103 158 F CA 1.857 59.799 58.000 -0.096 0.000 1.228 158 F CB -1.053 37.899 39.000 -0.080 0.000 0.984 158 F HN 0.118 nan 8.300 nan 0.000 0.477 159 G N -0.374 108.302 108.800 -0.207 0.000 2.418 159 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 159 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 159 G C 1.824 176.571 174.900 -0.254 0.000 1.158 159 G CA 0.910 45.861 45.100 -0.248 0.000 0.771 159 G HN 0.664 nan 8.290 nan 0.000 0.545 160 A N 0.478 123.095 122.820 -0.338 0.000 1.933 160 A HA 0.126 4.445 4.320 -0.000 0.000 0.218 160 A C 2.402 179.808 177.584 -0.296 0.000 1.175 160 A CA 1.229 53.083 52.037 -0.305 0.000 0.628 160 A CB -0.325 18.456 19.000 -0.365 0.000 0.814 160 A HN 0.360 nan 8.150 nan 0.000 0.444 161 L N -1.130 119.890 121.223 -0.339 0.000 2.240 161 L HA -0.043 4.297 4.340 -0.000 0.000 0.211 161 L C 2.940 179.582 176.870 -0.381 0.000 1.106 161 L CA 0.728 55.386 54.840 -0.305 0.000 0.793 161 L CB -0.519 41.413 42.059 -0.212 0.000 0.927 161 L HN 0.411 nan 8.230 nan 0.000 0.446 162 A N 0.386 122.888 122.820 -0.530 0.000 2.019 162 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 162 A C 2.132 179.507 177.584 -0.348 0.000 1.164 162 A CA 1.727 53.412 52.037 -0.587 0.000 0.644 162 A CB -0.588 17.897 19.000 -0.858 0.000 0.805 162 A HN 0.338 nan 8.150 nan 0.000 0.449 163 V N -4.085 115.685 119.914 -0.239 0.000 3.608 163 V HA 0.082 4.202 4.120 -0.000 0.000 0.269 163 V C 1.677 177.696 176.094 -0.126 0.000 1.245 163 V CA 0.794 62.996 62.300 -0.163 0.000 1.138 163 V CB -0.376 31.379 31.823 -0.112 0.000 0.841 163 V HN 0.209 nan 8.190 nan 0.000 0.451 164 K N 1.526 121.850 120.400 -0.127 0.000 2.032 164 K HA -0.061 4.259 4.320 -0.000 0.000 0.209 164 K C 0.243 176.828 176.600 -0.026 0.000 1.048 164 K CA 2.023 58.268 56.287 -0.071 0.000 0.927 164 K CB -1.867 30.608 32.500 -0.043 0.000 0.712 164 K HN 0.458 nan 8.250 nan 0.000 0.441 165 P HA -0.121 nan 4.420 nan 0.000 0.218 165 P C 1.474 178.765 177.300 -0.014 0.000 1.148 165 P CA 1.580 64.695 63.100 0.025 0.000 0.822 165 P CB -0.059 31.673 31.700 0.053 0.000 0.784 166 S N -1.678 113.994 115.700 -0.047 0.000 2.453 166 S HA 0.053 4.523 4.470 -0.000 0.000 0.231 166 S C 1.908 176.477 174.600 -0.051 0.000 1.005 166 S CA 1.019 59.185 58.200 -0.056 0.000 0.949 166 S CB -1.451 61.698 63.200 -0.085 0.000 0.774 166 S HN 0.292 nan 8.310 nan 0.000 0.510 167 G N 0.723 109.493 108.800 -0.049 0.000 2.184 167 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.264 167 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.264 167 G C 0.019 174.885 174.900 -0.055 0.000 0.975 167 G CA 0.535 45.608 45.100 -0.045 0.000 0.642 167 G HN 0.576 nan 8.290 nan 0.000 0.536 168 L N 1.589 122.769 121.223 -0.072 0.000 2.421 168 L HA 0.564 4.904 4.340 -0.000 0.000 0.263 168 L C 1.502 178.323 176.870 -0.081 0.000 1.122 168 L CA -0.199 54.592 54.840 -0.083 0.000 0.804 168 L CB 1.243 43.234 42.059 -0.113 0.000 1.150 168 L HN 0.400 nan 8.230 nan 0.000 0.457 169 S N 0.317 115.974 115.700 -0.071 0.000 2.600 169 S HA 0.070 4.540 4.470 -0.000 0.000 0.265 169 S C 0.815 175.384 174.600 -0.052 0.000 1.325 169 S CA -0.430 57.743 58.200 -0.045 0.000 1.002 169 S CB 0.549 63.730 63.200 -0.031 0.000 0.921 169 S HN 0.540 nan 8.310 nan 0.000 0.554 170 F N 1.146 121.004 119.950 -0.154 0.000 2.095 170 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 170 F C 2.515 178.200 175.800 -0.191 0.000 1.104 170 F CA 2.253 60.145 58.000 -0.180 0.000 1.232 170 F CB -0.389 38.503 39.000 -0.179 0.000 0.987 170 F HN 0.935 nan 8.300 nan 0.000 0.475 171 E N -0.622 119.550 120.200 -0.046 0.000 2.077 171 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 171 E C 2.160 178.608 176.600 -0.253 0.000 0.989 171 E CA 1.187 57.499 56.400 -0.148 0.000 0.800 171 E CB -0.092 29.604 29.700 -0.006 0.000 0.746 171 E HN 0.380 nan 8.360 nan 0.000 0.452 172 Q N -0.119 119.571 119.800 -0.183 0.000 2.119 172 Q HA -0.075 4.265 4.340 -0.000 0.000 0.201 172 Q C 2.030 177.872 176.000 -0.263 0.000 0.972 172 Q CA 1.286 56.980 55.803 -0.183 0.000 0.847 172 Q CB -0.259 28.410 28.738 -0.116 0.000 0.903 172 Q HN 0.373 nan 8.270 nan 0.000 0.433 173 A N 0.471 123.100 122.820 -0.319 0.000 1.873 173 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 173 A C 2.136 179.428 177.584 -0.486 0.000 1.186 173 A CA 1.749 53.572 52.037 -0.355 0.000 0.616 173 A CB -0.448 18.331 19.000 -0.368 0.000 0.823 173 A HN 0.335 nan 8.150 nan 0.000 0.442 174 M N -0.093 119.079 119.600 -0.714 0.000 2.117 174 M HA -0.191 4.288 4.480 -0.000 0.000 0.262 174 M C 2.148 177.858 176.300 -0.983 0.000 1.065 174 M CA 1.940 56.680 55.300 -0.933 0.000 1.114 174 M CB -0.574 31.314 32.600 -1.188 0.000 1.361 174 M HN 0.528 nan 8.290 nan 0.000 0.408 175 Q N -1.141 118.215 119.800 -0.739 0.000 2.050 175 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 175 Q C 1.939 177.762 176.000 -0.296 0.000 0.980 175 Q CA 2.307 57.820 55.803 -0.483 0.000 0.840 175 Q CB -0.466 28.097 28.738 -0.291 0.000 0.898 175 Q HN 0.767 nan 8.270 nan 0.000 0.424 176 T N -1.977 112.423 114.554 -0.257 0.000 3.014 176 T HA 0.035 4.385 4.350 -0.000 0.000 0.263 176 T C 1.673 176.286 174.700 -0.146 0.000 1.078 176 T CA 0.454 62.454 62.100 -0.167 0.000 1.135 176 T CB 0.068 68.853 68.868 -0.137 0.000 0.895 176 T HN 0.135 nan 8.240 nan 0.000 0.480 177 R N -0.142 120.243 120.500 -0.192 0.000 2.282 177 R HA 0.387 4.727 4.340 -0.000 0.000 0.195 177 R C 1.535 177.778 176.300 -0.095 0.000 0.909 177 R CA 0.229 56.247 56.100 -0.137 0.000 1.039 177 R CB 0.458 30.665 30.300 -0.155 0.000 1.015 177 R HN 0.290 nan 8.270 nan 0.000 0.513 178 V N -0.885 118.942 119.914 -0.146 0.000 3.054 178 V HA 0.027 4.147 4.120 -0.000 0.000 0.227 178 V C 1.377 177.555 176.094 0.140 0.000 1.252 178 V CA 0.505 62.808 62.300 0.005 0.000 1.279 178 V CB -0.253 31.556 31.823 -0.023 0.000 1.118 178 V HN -0.019 nan 8.190 nan 0.000 0.504 179 F N 1.517 121.395 119.950 -0.119 0.000 2.102 179 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 179 F C 2.596 178.313 175.800 -0.138 0.000 1.105 179 F CA 1.372 59.271 58.000 -0.168 0.000 1.239 179 F CB -1.245 37.550 39.000 -0.342 0.000 0.991 179 F HN 0.200 nan 8.300 nan 0.000 0.474 180 Q N -0.247 119.580 119.800 0.045 0.000 2.046 180 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 180 Q C -0.363 175.639 176.000 0.003 0.000 0.975 180 Q CA 1.620 57.413 55.803 -0.017 0.000 0.836 180 Q CB -1.445 27.259 28.738 -0.057 0.000 0.896 180 Q HN 0.276 nan 8.270 nan 0.000 0.428 181 P HA -0.140 nan 4.420 nan 0.000 0.218 181 P C 0.651 177.979 177.300 0.047 0.000 1.149 181 P CA 1.183 64.297 63.100 0.023 0.000 0.817 181 P CB 0.063 31.777 31.700 0.025 0.000 0.785 182 L N -1.330 119.947 121.223 0.090 0.000 2.592 182 L HA 0.146 4.486 4.340 -0.000 0.000 0.227 182 L C 0.380 177.298 176.870 0.079 0.000 1.127 182 L CA 0.097 55.005 54.840 0.114 0.000 0.884 182 L CB -0.689 41.505 42.059 0.224 0.000 1.065 182 L HN -0.045 nan 8.230 nan 0.000 0.457 183 K N 0.937 121.359 120.400 0.037 0.000 3.096 183 K HA -0.167 4.153 4.320 -0.000 0.000 0.266 183 K C -0.337 176.255 176.600 -0.014 0.000 1.043 183 K CA 0.410 56.698 56.287 0.001 0.000 0.758 183 K CB -1.796 30.710 32.500 0.010 0.000 1.260 183 K HN 0.341 nan 8.250 nan 0.000 0.481 184 L N 1.378 122.576 121.223 -0.042 0.000 2.389 184 L HA 0.146 4.486 4.340 -0.000 0.000 0.265 184 L C 0.953 177.656 176.870 -0.278 0.000 1.167 184 L CA -0.526 54.236 54.840 -0.130 0.000 1.045 184 L CB 0.206 42.145 42.059 -0.201 0.000 1.351 184 L HN 0.143 nan 8.230 nan 0.000 0.419 185 N N 0.438 118.991 118.700 -0.245 0.000 2.398 185 N HA -0.010 4.730 4.740 -0.000 0.000 0.188 185 N C 0.528 175.611 175.510 -0.712 0.000 1.122 185 N CA 0.565 53.352 53.050 -0.437 0.000 0.866 185 N CB 0.225 38.480 38.487 -0.386 0.000 0.970 185 N HN 0.505 nan 8.380 nan 0.000 0.462 186 H N -0.895 118.069 119.070 -0.177 0.000 2.790 186 H HA 0.268 4.824 4.556 -0.000 0.000 0.232 186 H C -0.404 174.806 175.328 -0.196 0.000 1.313 186 H CA -0.101 55.913 56.048 -0.057 0.000 1.011 186 H CB 0.385 30.144 29.762 -0.006 0.000 2.105 186 H HN -0.142 nan 8.280 nan 0.000 0.580 187 T N 0.845 115.065 114.554 -0.556 0.000 2.812 187 T HA 0.358 4.708 4.350 -0.000 0.000 0.282 187 T C -0.767 173.250 174.700 -1.140 0.000 0.990 187 T CA -0.437 61.164 62.100 -0.832 0.000 0.960 187 T CB 1.473 69.606 68.868 -1.225 0.000 0.948 187 T HN 0.235 nan 8.240 nan 0.000 0.438 188 W N 1.731 122.736 121.300 -0.490 0.000 3.107 188 W HA 0.554 5.214 4.660 0.000 0.000 0.331 188 W C 0.545 176.954 176.519 -0.184 0.000 1.204 188 W CA -0.788 56.411 57.345 -0.243 0.000 1.184 188 W CB 1.182 30.495 29.460 -0.244 0.000 1.421 188 W HN 0.493 nan 8.180 nan 0.000 0.544 189 I N 1.159 121.858 120.570 0.215 0.000 2.731 189 I HA 0.026 4.196 4.170 -0.000 0.000 0.260 189 I C -0.049 176.101 176.117 0.056 0.000 1.138 189 I CA 0.668 62.025 61.300 0.095 0.000 1.461 189 I CB 0.005 38.069 38.000 0.106 0.000 1.128 189 I HN 0.328 nan 8.210 nan 0.000 0.438 190 N N 0.241 119.016 118.700 0.125 0.000 2.479 190 N HA 0.292 5.032 4.740 -0.000 0.000 0.261 190 N C -0.909 174.530 175.510 -0.118 0.000 0.979 190 N CA -0.305 52.743 53.050 -0.003 0.000 0.930 190 N CB 2.346 40.837 38.487 0.006 0.000 1.172 190 N HN -0.205 nan 8.380 nan 0.000 0.499 191 V N 4.420 124.169 119.914 -0.274 0.000 2.479 191 V HA 0.168 4.288 4.120 -0.000 0.000 0.281 191 V C -1.450 174.329 176.094 -0.526 0.000 1.031 191 V CA -0.932 61.061 62.300 -0.512 0.000 1.038 191 V CB 0.001 31.481 31.823 -0.572 0.000 0.981 191 V HN 0.608 nan 8.190 nan 0.000 0.478 192 P HA 0.279 nan 4.420 nan 0.000 0.276 192 P C -2.343 174.736 177.300 -0.369 0.000 1.252 192 P CA -1.871 60.871 63.100 -0.596 0.000 0.802 192 P CB 0.631 31.826 31.700 -0.841 0.000 1.035 193 P HA -0.203 nan 4.420 nan 0.000 0.217 193 P C 1.479 178.703 177.300 -0.126 0.000 1.151 193 P CA 2.273 65.289 63.100 -0.140 0.000 0.849 193 P CB -0.440 31.200 31.700 -0.100 0.000 0.787 194 A N -0.351 122.379 122.820 -0.150 0.000 2.019 194 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 194 A C 2.005 179.534 177.584 -0.092 0.000 1.164 194 A CA 1.439 53.416 52.037 -0.099 0.000 0.644 194 A CB -0.753 18.196 19.000 -0.084 0.000 0.805 194 A HN 0.110 nan 8.150 nan 0.000 0.449 195 E N -0.436 119.665 120.200 -0.165 0.000 2.474 195 E HA -0.004 4.346 4.350 -0.000 0.000 0.195 195 E C 1.354 177.904 176.600 -0.084 0.000 1.039 195 E CA 0.103 56.428 56.400 -0.125 0.000 0.881 195 E CB -0.027 29.538 29.700 -0.225 0.000 0.970 195 E HN 0.739 nan 8.360 nan 0.000 0.486 196 E N 1.315 121.472 120.200 -0.073 0.000 2.130 196 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 196 E C 1.937 178.555 176.600 0.030 0.000 0.998 196 E CA 1.343 57.743 56.400 0.000 0.000 0.806 196 E CB -0.095 29.605 29.700 -0.000 0.000 0.738 196 E HN 0.245 nan 8.360 nan 0.000 0.459 197 K N 0.249 120.661 120.400 0.019 0.000 2.362 197 K HA -0.085 4.235 4.320 -0.000 0.000 0.200 197 K C 0.923 177.546 176.600 0.037 0.000 1.046 197 K CA 1.448 57.756 56.287 0.035 0.000 0.952 197 K CB -0.078 32.438 32.500 0.028 0.000 0.753 197 K HN 0.069 nan 8.250 nan 0.000 0.466 198 N N -0.342 118.376 118.700 0.030 0.000 2.236 198 N HA 0.003 4.743 4.740 -0.000 0.000 0.196 198 N C -0.825 174.716 175.510 0.051 0.000 1.114 198 N CA -0.393 52.674 53.050 0.028 0.000 0.859 198 N CB 0.292 38.784 38.487 0.009 0.000 0.982 198 N HN 0.201 nan 8.380 nan 0.000 0.493 199 Y N 2.315 122.534 120.300 -0.135 0.000 2.539 199 Y HA 0.344 4.894 4.550 -0.000 0.000 0.352 199 Y C 0.323 176.108 175.900 -0.190 0.000 1.004 199 Y CA -1.400 56.576 58.100 -0.206 0.000 1.278 199 Y CB 0.246 38.520 38.460 -0.311 0.000 1.136 199 Y HN -0.009 nan 8.280 nan 0.000 0.528 200 A N 6.174 129.046 122.820 0.087 0.000 2.466 200 A HA -0.004 4.316 4.320 -0.000 0.000 0.238 200 A C -1.039 176.536 177.584 -0.015 0.000 1.074 200 A CA -0.154 51.891 52.037 0.013 0.000 0.774 200 A CB 0.273 19.220 19.000 -0.088 0.000 1.015 200 A HN 0.935 nan 8.150 nan 0.000 0.498 201 W N 0.348 121.660 121.300 0.019 0.000 2.313 201 W HA 0.495 5.155 4.660 -0.000 0.000 0.328 201 W C 0.847 177.076 176.519 -0.484 0.000 1.197 201 W CA 0.477 57.642 57.345 -0.300 0.000 1.235 201 W CB 1.250 30.379 29.460 -0.550 0.000 1.158 201 W HN 0.927 nan 8.180 nan 0.000 0.578 202 G N 1.173 109.776 108.800 -0.327 0.000 2.451 202 G HA2 0.523 4.483 3.960 -0.000 0.000 0.303 202 G HA3 0.523 4.483 3.960 -0.000 0.000 0.303 202 G C -2.170 172.331 174.900 -0.664 0.000 1.166 202 G CA -0.507 44.132 45.100 -0.767 0.000 0.884 202 G HN 0.421 nan 8.290 nan 0.000 0.514 203 Y N -0.065 120.155 120.300 -0.135 0.000 2.331 203 Y HA 0.531 5.081 4.550 -0.000 0.000 0.334 203 Y C 0.481 176.376 175.900 -0.009 0.000 0.960 203 Y CA -0.784 57.292 58.100 -0.041 0.000 1.130 203 Y CB 2.196 40.639 38.460 -0.030 0.000 1.164 203 Y HN 0.453 nan 8.280 nan 0.000 0.458 204 R N 2.951 123.512 120.500 0.101 0.000 2.451 204 R HA 0.249 4.589 4.340 -0.000 0.000 0.307 204 R C -0.683 175.662 176.300 0.075 0.000 0.965 204 R CA -0.402 55.748 56.100 0.083 0.000 0.865 204 R CB 0.800 31.135 30.300 0.059 0.000 1.174 204 R HN 0.741 nan 8.270 nan 0.000 0.455 205 E N 2.714 122.958 120.200 0.073 0.000 2.269 205 E HA -0.241 4.109 4.350 -0.000 0.000 0.223 205 E C 0.606 177.240 176.600 0.057 0.000 1.244 205 E CA 1.482 57.914 56.400 0.053 0.000 0.713 205 E CB -1.283 28.439 29.700 0.037 0.000 1.178 205 E HN 1.177 nan 8.360 nan 0.000 0.370 206 G N -0.708 108.146 108.800 0.090 0.000 2.245 206 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.264 206 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.264 206 G C 0.323 175.315 174.900 0.152 0.000 0.985 206 G CA 0.903 46.062 45.100 0.097 0.000 0.625 206 G HN 0.335 nan 8.290 nan 0.000 0.536 207 K N 0.926 121.390 120.400 0.107 0.000 2.172 207 K HA 0.676 4.996 4.320 -0.000 0.000 0.276 207 K C 0.463 177.020 176.600 -0.071 0.000 1.013 207 K CA 0.022 56.322 56.287 0.022 0.000 0.913 207 K CB 1.667 34.152 32.500 -0.026 0.000 1.055 207 K HN 0.458 nan 8.250 nan 0.000 0.461 208 A N 2.372 125.035 122.820 -0.261 0.000 2.409 208 A HA 0.418 4.738 4.320 -0.000 0.000 0.267 208 A C -0.121 177.250 177.584 -0.355 0.000 1.127 208 A CA -0.422 51.243 52.037 -0.619 0.000 0.795 208 A CB -0.065 18.376 19.000 -0.931 0.000 1.061 208 A HN 0.550 nan 8.150 nan 0.000 0.502 209 V N 0.887 120.726 119.914 -0.126 0.000 3.087 209 V HA 0.692 4.812 4.120 -0.000 0.000 0.306 209 V C -0.804 175.406 176.094 0.193 0.000 1.187 209 V CA -0.827 61.519 62.300 0.077 0.000 0.999 209 V CB 1.222 33.076 31.823 0.052 0.000 1.049 209 V HN 0.979 nan 8.190 nan 0.000 0.431 210 H N 0.598 119.808 119.070 0.234 0.000 2.731 210 H HA 0.694 5.250 4.556 -0.000 0.000 0.368 210 H C -0.486 174.937 175.328 0.159 0.000 1.168 210 H CA -0.950 55.168 56.048 0.116 0.000 1.181 210 H CB 2.295 31.985 29.762 -0.120 0.000 1.743 210 H HN 0.811 nan 8.280 nan 0.000 0.547 211 V N 2.827 122.929 119.914 0.313 0.000 2.694 211 V HA 0.001 4.121 4.120 -0.000 0.000 0.306 211 V C 0.099 176.315 176.094 0.205 0.000 1.054 211 V CA 0.184 62.626 62.300 0.237 0.000 1.161 211 V CB 0.521 32.486 31.823 0.238 0.000 0.916 211 V HN 0.859 nan 8.190 nan 0.000 0.490 212 S N 7.012 122.817 115.700 0.174 0.000 2.610 212 S HA 0.612 5.082 4.470 -0.000 0.000 0.273 212 S C -2.434 172.257 174.600 0.152 0.000 1.274 212 S CA -1.177 57.109 58.200 0.143 0.000 1.023 212 S CB 0.967 64.232 63.200 0.109 0.000 0.962 212 S HN 0.760 nan 8.310 nan 0.000 0.523 213 P HA 0.500 nan 4.420 nan 0.000 0.269 213 P C 0.010 177.365 177.300 0.092 0.000 1.209 213 P CA 0.025 63.174 63.100 0.081 0.000 0.776 213 P CB 0.376 32.105 31.700 0.049 0.000 0.876 214 G N -0.022 108.823 108.800 0.075 0.000 2.673 214 G HA2 0.555 4.515 3.960 -0.000 0.000 0.292 214 G HA3 0.555 4.515 3.960 -0.000 0.000 0.292 214 G C -1.437 173.466 174.900 0.005 0.000 1.450 214 G CA -0.483 44.666 45.100 0.082 0.000 0.837 214 G HN 0.535 nan 8.290 nan 0.000 0.505 215 A N 0.387 123.202 122.820 -0.009 0.000 2.511 215 A HA 0.556 4.876 4.320 -0.000 0.000 0.242 215 A C 1.417 178.958 177.584 -0.072 0.000 1.069 215 A CA 0.424 52.435 52.037 -0.044 0.000 0.763 215 A CB -0.318 18.654 19.000 -0.048 0.000 1.001 215 A HN 1.756 nan 8.150 nan 0.000 0.498 216 L N 0.337 121.483 121.223 -0.128 0.000 4.179 216 L HA -0.318 4.022 4.340 -0.000 0.000 0.418 216 L C 1.229 177.883 176.870 -0.360 0.000 1.168 216 L CA 0.696 55.409 54.840 -0.211 0.000 0.972 216 L CB -1.703 40.296 42.059 -0.100 0.000 2.005 216 L HN 1.021 nan 8.230 nan 0.000 0.935 217 D N 0.196 120.336 120.400 -0.433 0.000 2.117 217 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 217 D C 1.955 177.824 176.300 -0.718 0.000 0.982 217 D CA 1.394 54.849 54.000 -0.909 0.000 0.828 217 D CB -0.097 40.352 40.800 -0.585 0.000 0.967 217 D HN 0.433 nan 8.370 nan 0.000 0.464 218 A N 0.782 123.348 122.820 -0.423 0.000 1.908 218 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 218 A C 2.084 179.438 177.584 -0.384 0.000 1.181 218 A CA 1.969 53.836 52.037 -0.284 0.000 0.627 218 A CB -0.638 18.277 19.000 -0.141 0.000 0.818 218 A HN 0.235 nan 8.150 nan 0.000 0.445 219 E N -0.566 119.218 120.200 -0.693 0.000 2.216 219 E HA 0.188 4.538 4.350 -0.000 0.000 0.192 219 E C 1.901 178.337 176.600 -0.274 0.000 0.988 219 E CA 1.110 57.044 56.400 -0.778 0.000 0.834 219 E CB -0.187 28.987 29.700 -0.877 0.000 0.772 219 E HN 0.589 nan 8.360 nan 0.000 0.479 220 A N -0.348 122.325 122.820 -0.245 0.000 2.108 220 A HA 0.125 4.444 4.320 -0.000 0.000 0.206 220 A C 0.526 178.188 177.584 0.130 0.000 1.212 220 A CA 0.345 52.372 52.037 -0.018 0.000 0.843 220 A CB 0.032 19.081 19.000 0.082 0.000 0.902 220 A HN 0.384 nan 8.150 nan 0.000 0.477 221 Y N -4.170 116.143 120.300 0.021 0.000 3.099 221 Y HA 0.480 5.030 4.550 -0.000 0.000 0.238 221 Y C 0.788 176.700 175.900 0.021 0.000 1.028 221 Y CA -0.539 57.588 58.100 0.046 0.000 1.187 221 Y CB -0.443 38.052 38.460 0.059 0.000 1.255 221 Y HN -0.031 nan 8.280 nan 0.000 0.666 222 G N 0.534 109.267 108.800 -0.111 0.000 3.042 222 G HA2 0.301 4.261 3.960 -0.000 0.000 0.212 222 G HA3 0.301 4.261 3.960 -0.000 0.000 0.212 222 G C -0.086 174.783 174.900 -0.051 0.000 1.166 222 G CA 0.213 45.254 45.100 -0.098 0.000 0.767 222 G HN 0.150 nan 8.290 nan 0.000 0.546 223 V N 0.583 120.463 119.914 -0.057 0.000 2.509 223 V HA 0.438 4.558 4.120 -0.000 0.000 0.284 223 V C -0.375 175.607 176.094 -0.188 0.000 1.047 223 V CA -0.551 61.652 62.300 -0.162 0.000 0.952 223 V CB 1.516 33.134 31.823 -0.341 0.000 0.988 223 V HN 0.106 nan 8.190 nan 0.000 0.469 224 K N 2.430 122.680 120.400 -0.250 0.000 2.270 224 K HA 0.793 5.113 4.320 -0.000 0.000 0.255 224 K C -0.533 175.917 176.600 -0.249 0.000 0.936 224 K CA -0.172 55.951 56.287 -0.274 0.000 0.809 224 K CB 1.991 34.211 32.500 -0.467 0.000 1.131 224 K HN 0.707 nan 8.250 nan 0.000 0.427 225 S N 0.232 115.856 115.700 -0.127 0.000 2.625 225 S HA 0.612 5.082 4.470 -0.000 0.000 0.271 225 S C -1.161 173.500 174.600 0.101 0.000 1.161 225 S CA -0.724 57.420 58.200 -0.092 0.000 0.820 225 S CB 0.966 64.071 63.200 -0.159 0.000 1.137 225 S HN 0.679 nan 8.310 nan 0.000 0.470 226 T N 0.244 114.860 114.554 0.104 0.000 2.912 226 T HA 0.517 4.866 4.350 -0.000 0.000 0.280 226 T C 1.266 176.078 174.700 0.187 0.000 0.989 226 T CA -0.530 61.681 62.100 0.185 0.000 0.995 226 T CB 0.811 69.732 68.868 0.089 0.000 1.077 226 T HN 0.454 nan 8.240 nan 0.000 0.531 227 I N 0.699 121.397 120.570 0.212 0.000 2.394 227 I HA -0.046 4.124 4.170 -0.000 0.000 0.251 227 I C 2.347 178.604 176.117 0.233 0.000 1.136 227 I CA 1.474 62.907 61.300 0.221 0.000 1.425 227 I CB -0.512 37.644 38.000 0.260 0.000 1.079 227 I HN 0.820 nan 8.210 nan 0.000 0.425 228 E N -0.001 120.237 120.200 0.064 0.000 2.047 228 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 228 E C 1.675 178.367 176.600 0.153 0.000 0.987 228 E CA 1.431 57.857 56.400 0.042 0.000 0.799 228 E CB -0.173 29.439 29.700 -0.148 0.000 0.752 228 E HN 0.484 nan 8.360 nan 0.000 0.449 229 D N 0.179 120.650 120.400 0.117 0.000 2.144 229 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 229 D C 1.824 178.244 176.300 0.200 0.000 0.978 229 D CA 0.890 54.959 54.000 0.115 0.000 0.833 229 D CB -0.011 40.798 40.800 0.015 0.000 0.961 229 D HN 0.075 nan 8.370 nan 0.000 0.470 230 M N 0.248 119.983 119.600 0.225 0.000 2.229 230 M HA 0.019 4.499 4.480 -0.000 0.000 0.264 230 M C 2.168 178.657 176.300 0.316 0.000 1.063 230 M CA 0.594 56.085 55.300 0.318 0.000 1.114 230 M CB -0.947 31.824 32.600 0.285 0.000 1.387 230 M HN -0.026 nan 8.290 nan 0.000 0.420 231 A N -0.182 122.802 122.820 0.273 0.000 1.930 231 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 231 A C 2.368 180.038 177.584 0.143 0.000 1.175 231 A CA 1.636 53.794 52.037 0.201 0.000 0.627 231 A CB -0.642 18.508 19.000 0.249 0.000 0.815 231 A HN 0.457 nan 8.150 nan 0.000 0.443 232 R N -1.361 119.249 120.500 0.182 0.000 2.115 232 R HA -0.139 4.201 4.340 -0.000 0.000 0.230 232 R C 2.090 178.500 176.300 0.184 0.000 1.111 232 R CA 1.309 57.494 56.100 0.142 0.000 0.976 232 R CB -0.342 30.045 30.300 0.145 0.000 0.870 232 R HN 0.831 nan 8.270 nan 0.000 0.445 233 W N 0.403 121.726 121.300 0.040 0.000 2.355 233 W HA -0.195 4.465 4.660 0.000 0.000 0.309 233 W C 1.384 177.843 176.519 -0.101 0.000 1.206 233 W CA 1.196 58.551 57.345 0.016 0.000 1.284 233 W CB -0.061 29.459 29.460 0.101 0.000 1.145 233 W HN -0.046 nan 8.180 nan 0.000 0.502 234 V N 1.401 121.267 119.914 -0.079 0.000 2.343 234 V HA -0.353 3.767 4.120 -0.000 0.000 0.247 234 V C 2.402 178.183 176.094 -0.520 0.000 1.051 234 V CA 2.288 64.328 62.300 -0.433 0.000 1.036 234 V CB -1.123 30.573 31.823 -0.211 0.000 0.654 234 V HN 0.252 nan 8.190 nan 0.000 0.451 235 Q N -0.171 119.467 119.800 -0.270 0.000 2.096 235 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 235 Q C 2.496 178.319 176.000 -0.294 0.000 0.982 235 Q CA 2.046 57.700 55.803 -0.247 0.000 0.850 235 Q CB -0.277 28.387 28.738 -0.124 0.000 0.901 235 Q HN 0.629 nan 8.270 nan 0.000 0.422 236 S N 0.856 116.395 115.700 -0.268 0.000 2.382 236 S HA -0.092 4.378 4.470 -0.000 0.000 0.228 236 S C 1.525 175.868 174.600 -0.428 0.000 1.027 236 S CA 0.964 59.007 58.200 -0.262 0.000 0.991 236 S CB -0.180 62.934 63.200 -0.144 0.000 0.823 236 S HN 0.377 nan 8.310 nan 0.000 0.469 237 N N 1.044 119.316 118.700 -0.713 0.000 2.354 237 N HA 0.134 4.874 4.740 -0.000 0.000 0.179 237 N C 1.580 176.601 175.510 -0.816 0.000 1.021 237 N CA 0.485 53.021 53.050 -0.857 0.000 0.887 237 N CB -0.120 37.601 38.487 -1.277 0.000 0.974 237 N HN 0.332 nan 8.380 nan 0.000 0.437 238 L N 0.292 121.020 121.223 -0.825 0.000 2.109 238 L HA -0.009 4.330 4.340 -0.000 0.000 0.207 238 L C 1.059 177.755 176.870 -0.290 0.000 1.086 238 L CA 1.019 55.546 54.840 -0.521 0.000 0.760 238 L CB 0.124 41.923 42.059 -0.434 0.000 0.910 238 L HN -0.073 nan 8.230 nan 0.000 0.437 239 K N -0.871 119.367 120.400 -0.269 0.000 2.842 239 K HA 0.206 4.526 4.320 -0.000 0.000 0.176 239 K C -2.003 174.504 176.600 -0.156 0.000 1.080 239 K CA -1.386 54.794 56.287 -0.178 0.000 0.954 239 K CB 1.237 33.648 32.500 -0.148 0.000 1.203 239 K HN -0.189 nan 8.250 nan 0.000 0.611 240 P HA -0.158 nan 4.420 nan 0.000 0.219 240 P C 0.777 178.031 177.300 -0.078 0.000 1.146 240 P CA 0.938 63.968 63.100 -0.116 0.000 0.808 240 P CB 0.227 31.865 31.700 -0.103 0.000 0.779 241 L N -0.865 120.314 121.223 -0.074 0.000 2.362 241 L HA -0.092 4.248 4.340 -0.000 0.000 0.219 241 L C 1.272 178.112 176.870 -0.050 0.000 1.134 241 L CA 1.091 55.898 54.840 -0.055 0.000 0.807 241 L CB -0.791 41.236 42.059 -0.053 0.000 0.927 241 L HN -0.054 nan 8.230 nan 0.000 0.447 242 D N 0.304 120.668 120.400 -0.059 0.000 2.349 242 D HA 0.155 4.795 4.640 -0.000 0.000 0.224 242 D C 0.727 177.004 176.300 -0.039 0.000 1.029 242 D CA 0.454 54.425 54.000 -0.049 0.000 0.879 242 D CB 0.197 40.962 40.800 -0.057 0.000 0.906 242 D HN 0.265 nan 8.370 nan 0.000 0.528 243 I N 1.123 121.671 120.570 -0.038 0.000 2.352 243 I HA 0.044 4.214 4.170 -0.000 0.000 0.290 243 I C 1.308 177.415 176.117 -0.016 0.000 1.036 243 I CA -0.283 61.004 61.300 -0.023 0.000 1.336 243 I CB 0.987 38.975 38.000 -0.020 0.000 1.407 243 I HN -0.257 nan 8.210 nan 0.000 0.497 244 N N 3.436 122.130 118.700 -0.011 0.000 2.120 244 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 244 N C -0.105 175.400 175.510 -0.008 0.000 1.024 244 N CA 1.044 54.087 53.050 -0.010 0.000 0.852 244 N CB 0.076 38.558 38.487 -0.009 0.000 1.003 244 N HN 0.533 nan 8.380 nan 0.000 0.424 245 E N 0.950 121.148 120.200 -0.004 0.000 2.220 245 E HA 0.022 4.372 4.350 -0.000 0.000 0.272 245 E C 0.527 177.126 176.600 -0.003 0.000 1.099 245 E CA 0.164 56.562 56.400 -0.003 0.000 0.907 245 E CB 0.681 30.381 29.700 0.000 0.000 1.022 245 E HN 0.216 nan 8.360 nan 0.000 0.428 246 K N 1.301 121.698 120.400 -0.005 0.000 2.020 246 K HA -0.205 4.115 4.320 -0.000 0.000 0.212 246 K C 1.927 178.527 176.600 0.000 0.000 1.050 246 K CA 2.008 58.292 56.287 -0.004 0.000 0.929 246 K CB -0.322 32.175 32.500 -0.005 0.000 0.714 246 K HN 0.605 nan 8.250 nan 0.000 0.443 247 T N 0.005 114.560 114.554 0.001 0.000 2.915 247 T HA -0.075 4.275 4.350 -0.000 0.000 0.269 247 T C 1.825 176.534 174.700 0.015 0.000 1.071 247 T CA 0.735 62.838 62.100 0.006 0.000 1.132 247 T CB -0.130 68.738 68.868 0.000 0.000 0.878 247 T HN 0.055 nan 8.240 nan 0.000 0.479 248 L N 1.099 122.331 121.223 0.016 0.000 2.131 248 L HA 0.156 4.496 4.340 -0.000 0.000 0.206 248 L C 2.772 179.659 176.870 0.029 0.000 1.087 248 L CA 1.694 56.553 54.840 0.033 0.000 0.767 248 L CB -0.999 41.083 42.059 0.039 0.000 0.917 248 L HN 0.385 nan 8.230 nan 0.000 0.441 249 Q N -0.732 119.075 119.800 0.010 0.000 2.061 249 Q HA -0.304 4.036 4.340 -0.000 0.000 0.204 249 Q C 2.155 178.155 176.000 0.001 0.000 0.984 249 Q CA 2.401 58.201 55.803 -0.005 0.000 0.846 249 Q CB -0.168 28.562 28.738 -0.013 0.000 0.902 249 Q HN 0.661 nan 8.270 nan 0.000 0.421 250 Q N -0.553 119.253 119.800 0.010 0.000 2.119 250 Q HA -0.083 4.257 4.340 -0.000 0.000 0.201 250 Q C 2.073 178.098 176.000 0.041 0.000 0.972 250 Q CA 1.252 57.066 55.803 0.018 0.000 0.847 250 Q CB -0.279 28.470 28.738 0.018 0.000 0.903 250 Q HN 0.597 nan 8.270 nan 0.000 0.433 251 G N 0.908 109.739 108.800 0.052 0.000 2.440 251 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 251 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 251 G C 1.392 176.354 174.900 0.103 0.000 1.154 251 G CA 0.741 45.891 45.100 0.084 0.000 0.767 251 G HN 0.247 nan 8.290 nan 0.000 0.552 252 I N 0.260 120.873 120.570 0.071 0.000 2.226 252 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 252 I C 3.043 179.191 176.117 0.051 0.000 1.100 252 I CA 1.226 62.556 61.300 0.051 0.000 1.374 252 I CB -0.287 37.686 38.000 -0.044 0.000 1.057 252 I HN 0.249 nan 8.210 nan 0.000 0.413 253 Q N 0.472 120.287 119.800 0.025 0.000 2.084 253 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 253 Q C 2.377 178.411 176.000 0.056 0.000 0.978 253 Q CA 1.364 57.176 55.803 0.016 0.000 0.844 253 Q CB -0.155 28.580 28.738 -0.005 0.000 0.898 253 Q HN 0.535 nan 8.270 nan 0.000 0.426 254 L N 0.010 121.291 121.223 0.095 0.000 2.141 254 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 254 L C 2.405 179.429 176.870 0.257 0.000 1.094 254 L CA 0.759 55.694 54.840 0.158 0.000 0.763 254 L CB -0.499 41.660 42.059 0.167 0.000 0.908 254 L HN 0.194 nan 8.230 nan 0.000 0.437 255 A N -0.755 122.213 122.820 0.246 0.000 2.067 255 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 255 A C 2.060 179.875 177.584 0.385 0.000 1.158 255 A CA 1.094 53.332 52.037 0.335 0.000 0.661 255 A CB -0.234 18.993 19.000 0.379 0.000 0.801 255 A HN 0.483 nan 8.150 nan 0.000 0.452 256 Q N -0.006 119.937 119.800 0.238 0.000 2.280 256 Q HA 0.186 4.526 4.340 -0.000 0.000 0.201 256 Q C -0.095 175.934 176.000 0.048 0.000 0.890 256 Q CA -0.319 55.564 55.803 0.134 0.000 0.947 256 Q CB 0.379 29.118 28.738 0.002 0.000 1.081 256 Q HN 0.497 nan 8.270 nan 0.000 0.502 257 S N 0.842 116.560 115.700 0.029 0.000 2.585 257 S HA 0.232 4.702 4.470 -0.000 0.000 0.273 257 S C 0.067 174.489 174.600 -0.296 0.000 1.339 257 S CA -0.162 57.900 58.200 -0.230 0.000 1.028 257 S CB 0.599 63.527 63.200 -0.453 0.000 0.906 257 S HN 0.224 nan 8.310 nan 0.000 0.528 258 R N 1.335 121.613 120.500 -0.371 0.000 2.215 258 R HA 0.264 4.604 4.340 -0.000 0.000 0.336 258 R C -0.420 175.696 176.300 -0.307 0.000 0.996 258 R CA -0.149 55.844 56.100 -0.178 0.000 0.847 258 R CB 0.492 30.669 30.300 -0.205 0.000 1.127 258 R HN 0.697 nan 8.270 nan 0.000 0.465 259 Y N 0.582 120.880 120.300 -0.004 0.000 2.503 259 Y HA 0.167 4.717 4.550 -0.000 0.000 0.277 259 Y C 0.106 175.698 175.900 -0.514 0.000 1.102 259 Y CA 0.125 58.053 58.100 -0.288 0.000 1.261 259 Y CB 0.590 38.863 38.460 -0.312 0.000 1.096 259 Y HN 0.455 nan 8.280 nan 0.000 0.546 260 W N -0.202 121.269 121.300 0.285 0.000 3.167 260 W HA 0.546 5.206 4.660 0.000 0.000 0.324 260 W C -0.936 175.699 176.519 0.194 0.000 1.230 260 W CA -0.984 56.485 57.345 0.207 0.000 1.184 260 W CB 1.183 30.749 29.460 0.176 0.000 1.414 260 W HN -0.459 nan 8.180 nan 0.000 0.551 261 Q N 1.335 121.347 119.800 0.353 0.000 2.353 261 Q HA 0.650 4.990 4.340 -0.000 0.000 0.268 261 Q C -1.203 174.820 176.000 0.038 0.000 1.045 261 Q CA -0.492 55.349 55.803 0.064 0.000 0.811 261 Q CB 2.445 31.150 28.738 -0.055 0.000 1.305 261 Q HN 0.439 nan 8.270 nan 0.000 0.447 262 T N 2.463 116.983 114.554 -0.055 0.000 2.949 262 T HA 0.607 4.957 4.350 -0.000 0.000 0.300 262 T C 0.407 175.048 174.700 -0.098 0.000 0.988 262 T CA 0.707 62.780 62.100 -0.045 0.000 0.993 262 T CB 0.700 69.560 68.868 -0.014 0.000 0.984 262 T HN 1.029 nan 8.240 nan 0.000 0.442 263 G N 5.464 114.209 108.800 -0.092 0.000 2.622 263 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.307 263 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.307 263 G C 0.382 175.189 174.900 -0.155 0.000 1.226 263 G CA 0.808 45.849 45.100 -0.098 0.000 0.997 263 G HN 1.047 nan 8.290 nan 0.000 0.551 264 D N 0.368 120.685 120.400 -0.138 0.000 2.342 264 D HA 0.311 4.951 4.640 -0.000 0.000 0.221 264 D C 1.006 177.189 176.300 -0.196 0.000 1.101 264 D CA 0.410 54.316 54.000 -0.156 0.000 0.837 264 D CB 0.012 40.760 40.800 -0.087 0.000 0.938 264 D HN 0.616 nan 8.370 nan 0.000 0.508 265 M N 0.502 119.963 119.600 -0.230 0.000 2.508 265 M HA 0.477 4.957 4.480 -0.000 0.000 0.327 265 M C -1.712 174.433 176.300 -0.257 0.000 1.160 265 M CA -0.759 54.477 55.300 -0.107 0.000 0.980 265 M CB 1.811 34.433 32.600 0.037 0.000 1.693 265 M HN -0.191 nan 8.290 nan 0.000 0.452 266 Y N 1.355 121.764 120.300 0.182 0.000 2.446 266 Y HA 0.447 4.997 4.550 -0.000 0.000 0.345 266 Y C -0.576 175.486 175.900 0.270 0.000 0.984 266 Y CA -0.744 57.478 58.100 0.203 0.000 1.058 266 Y CB 1.744 40.291 38.460 0.145 0.000 1.220 266 Y HN 0.538 nan 8.280 nan 0.000 0.455 267 Q N 1.591 121.678 119.800 0.479 0.000 2.278 267 Q HA 0.617 4.957 4.340 -0.000 0.000 0.257 267 Q C -0.129 176.172 176.000 0.502 0.000 0.928 267 Q CA -0.283 55.803 55.803 0.471 0.000 0.932 267 Q CB 1.359 30.392 28.738 0.492 0.000 1.221 267 Q HN 0.897 nan 8.270 nan 0.000 0.434 268 G N 2.668 111.737 108.800 0.449 0.000 2.736 268 G HA2 0.499 4.459 3.960 -0.000 0.000 0.229 268 G HA3 0.499 4.459 3.960 -0.000 0.000 0.229 268 G C -0.949 174.131 174.900 0.299 0.000 1.380 268 G CA -0.862 44.525 45.100 0.479 0.000 1.040 268 G HN 0.596 nan 8.290 nan 0.000 0.568 269 L N 1.226 122.591 121.223 0.237 0.000 2.282 269 L HA 0.444 4.784 4.340 -0.000 0.000 0.287 269 L C 1.405 178.325 176.870 0.083 0.000 1.075 269 L CA 0.478 55.325 54.840 0.012 0.000 0.839 269 L CB 0.388 42.441 42.059 -0.011 0.000 1.219 269 L HN 1.052 nan 8.230 nan 0.000 0.434 270 G N 2.242 111.066 108.800 0.040 0.000 4.039 270 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.220 270 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.220 270 G C 0.013 174.970 174.900 0.095 0.000 1.391 270 G CA -0.195 44.926 45.100 0.035 0.000 0.920 270 G HN 0.518 nan 8.290 nan 0.000 0.599 271 W N 2.285 123.724 121.300 0.232 0.000 2.137 271 W HA 0.577 5.237 4.660 -0.000 0.000 0.344 271 W C 0.832 177.506 176.519 0.258 0.000 1.286 271 W CA -0.186 57.293 57.345 0.222 0.000 1.240 271 W CB 0.411 29.971 29.460 0.167 0.000 1.141 271 W HN 0.330 nan 8.180 nan 0.000 0.579 272 E N 1.396 121.951 120.200 0.591 0.000 2.256 272 E HA 0.574 4.924 4.350 -0.000 0.000 0.267 272 E C -0.885 176.010 176.600 0.492 0.000 0.892 272 E CA -1.122 55.587 56.400 0.515 0.000 0.775 272 E CB 1.813 31.811 29.700 0.497 0.000 1.207 272 E HN 0.169 nan 8.360 nan 0.000 0.420 273 M N 1.906 121.750 119.600 0.406 0.000 2.550 273 M HA 0.479 4.959 4.480 -0.000 0.000 0.292 273 M C -1.575 174.948 176.300 0.370 0.000 1.221 273 M CA -0.350 55.130 55.300 0.300 0.000 0.873 273 M CB 1.815 34.529 32.600 0.189 0.000 1.727 273 M HN 0.310 nan 8.290 nan 0.000 0.459 274 L N 0.454 121.861 121.223 0.306 0.000 2.393 274 L HA 0.559 4.899 4.340 -0.000 0.000 0.260 274 L C -0.755 176.283 176.870 0.279 0.000 1.002 274 L CA -0.703 54.322 54.840 0.308 0.000 0.818 274 L CB 1.945 44.097 42.059 0.156 0.000 1.369 274 L HN 0.553 nan 8.230 nan 0.000 0.412 275 D N 0.818 121.376 120.400 0.262 0.000 2.414 275 D HA -0.013 4.627 4.640 -0.000 0.000 0.242 275 D C -0.955 175.467 176.300 0.203 0.000 1.129 275 D CA 0.177 54.290 54.000 0.189 0.000 0.885 275 D CB 1.185 42.070 40.800 0.140 0.000 1.198 275 D HN 0.352 nan 8.370 nan 0.000 0.437 276 W N 4.537 125.893 121.300 0.093 0.000 2.469 276 W HA 0.292 4.952 4.660 -0.000 0.000 0.320 276 W C -2.306 174.264 176.519 0.085 0.000 1.086 276 W CA -1.770 55.648 57.345 0.122 0.000 1.211 276 W CB 1.133 30.680 29.460 0.144 0.000 1.298 276 W HN 0.238 nan 8.180 nan 0.000 0.525 277 P HA 0.161 nan 4.420 nan 0.000 0.274 277 P C -1.022 175.907 177.300 -0.618 0.000 1.231 277 P CA -0.170 62.082 63.100 -1.414 0.000 0.790 277 P CB 2.400 33.476 31.700 -1.040 0.000 0.951 278 V N 1.871 121.440 119.914 -0.575 0.000 2.850 278 V HA 0.347 4.467 4.120 -0.000 0.000 0.315 278 V C -0.109 175.678 176.094 -0.511 0.000 1.064 278 V CA -0.909 61.160 62.300 -0.385 0.000 0.979 278 V CB 1.614 33.232 31.823 -0.342 0.000 1.039 278 V HN 0.737 nan 8.190 nan 0.000 0.452 279 N N 6.097 124.527 118.700 -0.449 0.000 2.408 279 N HA 0.415 5.155 4.740 -0.000 0.000 0.257 279 N C -1.433 173.673 175.510 -0.673 0.000 1.064 279 N CA -1.883 50.886 53.050 -0.468 0.000 0.952 279 N CB 1.594 39.898 38.487 -0.304 0.000 1.093 279 N HN 0.399 nan 8.380 nan 0.000 0.490 280 P HA -0.136 nan 4.420 nan 0.000 0.216 280 P C 0.151 177.069 177.300 -0.637 0.000 1.150 280 P CA 1.184 63.562 63.100 -1.202 0.000 0.837 280 P CB 0.383 30.981 31.700 -1.836 0.000 0.786 281 D N -0.499 119.633 120.400 -0.445 0.000 2.218 281 D HA -0.099 4.541 4.640 -0.000 0.000 0.204 281 D C 2.164 178.324 176.300 -0.234 0.000 0.976 281 D CA 0.966 54.800 54.000 -0.278 0.000 0.853 281 D CB -0.503 40.175 40.800 -0.203 0.000 0.939 281 D HN 0.163 nan 8.370 nan 0.000 0.481 282 S N 0.495 116.038 115.700 -0.261 0.000 2.355 282 S HA -0.102 4.368 4.470 -0.000 0.000 0.222 282 S C 2.151 176.651 174.600 -0.167 0.000 1.031 282 S CA 0.852 58.935 58.200 -0.195 0.000 0.993 282 S CB -0.149 62.934 63.200 -0.195 0.000 0.859 282 S HN 0.403 nan 8.310 nan 0.000 0.453 283 I N -1.182 119.246 120.570 -0.237 0.000 2.500 283 I HA 0.038 4.208 4.170 -0.000 0.000 0.252 283 I C 2.043 178.118 176.117 -0.071 0.000 1.142 283 I CA 1.011 62.235 61.300 -0.127 0.000 1.451 283 I CB -0.507 37.351 38.000 -0.237 0.000 1.093 283 I HN 0.217 nan 8.210 nan 0.000 0.430 284 I N 2.074 122.553 120.570 -0.152 0.000 2.133 284 I HA -0.225 3.944 4.170 -0.000 0.000 0.238 284 I C 2.307 178.374 176.117 -0.084 0.000 1.074 284 I CA 1.479 62.715 61.300 -0.107 0.000 1.342 284 I CB -0.645 37.276 38.000 -0.132 0.000 1.053 284 I HN 0.270 nan 8.210 nan 0.000 0.404 285 N N 1.084 119.727 118.700 -0.095 0.000 2.244 285 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 285 N C 1.827 177.301 175.510 -0.059 0.000 1.016 285 N CA 1.513 54.518 53.050 -0.075 0.000 0.866 285 N CB -0.651 37.788 38.487 -0.080 0.000 0.980 285 N HN 0.419 nan 8.380 nan 0.000 0.430 286 G N 0.030 108.798 108.800 -0.053 0.000 2.598 286 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.215 286 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.215 286 G C 1.513 176.399 174.900 -0.022 0.000 1.131 286 G CA 0.980 46.062 45.100 -0.031 0.000 0.785 286 G HN 0.482 nan 8.290 nan 0.000 0.539 287 S N -0.419 115.265 115.700 -0.027 0.000 2.527 287 S HA 0.024 4.494 4.470 -0.000 0.000 0.222 287 S C 0.756 175.310 174.600 -0.078 0.000 0.985 287 S CA -0.085 58.087 58.200 -0.048 0.000 0.921 287 S CB 0.015 63.181 63.200 -0.056 0.000 0.772 287 S HN 0.268 nan 8.310 nan 0.000 0.529 288 D N 2.034 122.394 120.400 -0.066 0.000 2.455 288 D HA 0.060 4.700 4.640 -0.000 0.000 0.241 288 D C 0.417 176.676 176.300 -0.067 0.000 1.138 288 D CA 0.045 54.008 54.000 -0.063 0.000 0.877 288 D CB 0.541 41.312 40.800 -0.049 0.000 1.187 288 D HN 0.085 nan 8.370 nan 0.000 0.451 289 N N 3.242 121.902 118.700 -0.067 0.000 2.348 289 N HA -0.143 4.597 4.740 -0.000 0.000 0.185 289 N C 1.293 176.776 175.510 -0.046 0.000 1.019 289 N CA 0.744 53.754 53.050 -0.067 0.000 0.880 289 N CB 0.043 38.497 38.487 -0.055 0.000 0.965 289 N HN 0.515 nan 8.380 nan 0.000 0.437 290 K N 0.151 120.530 120.400 -0.034 0.000 2.209 290 K HA -0.005 4.315 4.320 -0.000 0.000 0.204 290 K C 1.726 178.311 176.600 -0.026 0.000 1.048 290 K CA 0.794 57.068 56.287 -0.022 0.000 0.940 290 K CB 0.161 32.649 32.500 -0.019 0.000 0.729 290 K HN 0.229 nan 8.250 nan 0.000 0.451 291 I N -0.420 120.128 120.570 -0.038 0.000 2.729 291 I HA -0.040 4.130 4.170 -0.000 0.000 0.256 291 I C 2.250 178.337 176.117 -0.050 0.000 1.115 291 I CA 0.319 61.596 61.300 -0.039 0.000 1.446 291 I CB -0.104 37.872 38.000 -0.040 0.000 1.176 291 I HN 0.017 nan 8.210 nan 0.000 0.446 292 A N 0.946 123.721 122.820 -0.076 0.000 2.019 292 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 292 A C 2.050 179.550 177.584 -0.141 0.000 1.164 292 A CA 1.341 53.302 52.037 -0.126 0.000 0.644 292 A CB -0.581 18.307 19.000 -0.188 0.000 0.805 292 A HN 0.436 nan 8.150 nan 0.000 0.449 293 L N -1.077 120.097 121.223 -0.082 0.000 2.640 293 L HA 0.298 4.637 4.340 -0.000 0.000 0.230 293 L C 0.995 177.881 176.870 0.026 0.000 1.123 293 L CA -0.143 54.686 54.840 -0.018 0.000 0.900 293 L CB -0.137 41.923 42.059 0.003 0.000 1.146 293 L HN 0.347 nan 8.230 nan 0.000 0.484 294 A N 0.708 123.531 122.820 0.005 0.000 2.316 294 A HA 0.707 5.026 4.320 -0.000 0.000 0.284 294 A C 0.417 178.002 177.584 0.002 0.000 1.115 294 A CA -0.249 51.799 52.037 0.018 0.000 0.812 294 A CB 0.597 19.596 19.000 -0.000 0.000 1.064 294 A HN 0.190 nan 8.150 nan 0.000 0.489 295 A N 2.186 125.009 122.820 0.004 0.000 2.462 295 A HA 0.580 4.900 4.320 -0.000 0.000 0.243 295 A C 0.375 177.853 177.584 -0.177 0.000 1.076 295 A CA -0.045 51.917 52.037 -0.124 0.000 0.773 295 A CB 0.147 18.992 19.000 -0.258 0.000 1.010 295 A HN 0.755 nan 8.150 nan 0.000 0.493 296 R N 1.860 122.230 120.500 -0.218 0.000 2.651 296 R HA 0.466 4.806 4.340 -0.000 0.000 0.278 296 R C -3.166 172.998 176.300 -0.226 0.000 1.010 296 R CA -1.933 54.061 56.100 -0.178 0.000 0.896 296 R CB 2.094 32.335 30.300 -0.098 0.000 1.211 296 R HN 0.538 nan 8.270 nan 0.000 0.456 297 P HA 0.125 nan 4.420 nan 0.000 0.275 297 P C -0.247 176.992 177.300 -0.103 0.000 1.227 297 P CA -0.278 62.712 63.100 -0.182 0.000 0.781 297 P CB 0.949 32.567 31.700 -0.136 0.000 0.906 298 V N -0.031 119.830 119.914 -0.087 0.000 2.815 298 V HA 0.606 4.726 4.120 -0.000 0.000 0.314 298 V C -0.246 175.958 176.094 0.182 0.000 1.064 298 V CA -1.060 61.264 62.300 0.040 0.000 0.952 298 V CB 2.145 33.945 31.823 -0.039 0.000 1.020 298 V HN 0.302 nan 8.190 nan 0.000 0.439 299 K N 2.278 122.841 120.400 0.272 0.000 2.274 299 K HA 0.772 5.092 4.320 -0.000 0.000 0.262 299 K C -0.083 176.757 176.600 0.401 0.000 0.961 299 K CA -0.400 56.051 56.287 0.274 0.000 0.833 299 K CB 2.107 34.698 32.500 0.152 0.000 1.102 299 K HN 1.071 nan 8.250 nan 0.000 0.436 300 A N 3.756 126.780 122.820 0.341 0.000 2.462 300 A HA 0.267 4.587 4.320 -0.000 0.000 0.243 300 A C 0.006 177.556 177.584 -0.056 0.000 1.076 300 A CA -0.198 51.814 52.037 -0.041 0.000 0.773 300 A CB -0.089 18.820 19.000 -0.151 0.000 1.010 300 A HN 0.742 nan 8.150 nan 0.000 0.493 301 I N 2.356 122.822 120.570 -0.173 0.000 2.306 301 I HA 0.207 4.377 4.170 -0.000 0.000 0.288 301 I C -0.219 175.806 176.117 -0.154 0.000 1.036 301 I CA 0.101 61.344 61.300 -0.094 0.000 1.221 301 I CB 1.259 39.221 38.000 -0.063 0.000 1.385 301 I HN 0.518 nan 8.210 nan 0.000 0.472 302 T N 6.671 121.168 114.554 -0.095 0.000 2.874 302 T HA 0.397 4.747 4.350 -0.000 0.000 0.321 302 T C -1.693 172.970 174.700 -0.061 0.000 1.075 302 T CA -0.941 61.108 62.100 -0.084 0.000 0.966 302 T CB 0.721 69.559 68.868 -0.050 0.000 1.001 302 T HN 0.460 nan 8.240 nan 0.000 0.476 303 P HA 0.515 nan 4.420 nan 0.000 0.278 303 P C -3.032 174.179 177.300 -0.148 0.000 1.266 303 P CA -2.020 61.022 63.100 -0.097 0.000 0.807 303 P CB 0.086 31.743 31.700 -0.072 0.000 1.094 304 P HA 0.068 nan 4.420 nan 0.000 0.266 304 P C -0.305 176.823 177.300 -0.286 0.000 1.195 304 P CA 0.402 63.290 63.100 -0.353 0.000 0.768 304 P CB -0.044 31.266 31.700 -0.650 0.000 0.838 305 T N 5.428 119.814 114.554 -0.280 0.000 2.814 305 T HA 0.253 4.602 4.350 -0.000 0.000 0.297 305 T C -2.119 172.444 174.700 -0.228 0.000 0.956 305 T CA -1.055 60.913 62.100 -0.220 0.000 1.123 305 T CB -0.095 68.639 68.868 -0.224 0.000 0.902 305 T HN 0.269 nan 8.240 nan 0.000 0.528 306 P HA 0.196 nan 4.420 nan 0.000 0.270 306 P C -0.489 176.732 177.300 -0.131 0.000 1.223 306 P CA -0.454 62.564 63.100 -0.137 0.000 0.785 306 P CB 0.309 31.951 31.700 -0.097 0.000 0.923 307 A N 2.410 125.168 122.820 -0.104 0.000 2.583 307 A HA 0.036 4.356 4.320 -0.000 0.000 0.249 307 A C 0.155 177.682 177.584 -0.095 0.000 1.035 307 A CA 0.311 52.293 52.037 -0.093 0.000 0.777 307 A CB -0.828 18.133 19.000 -0.067 0.000 0.942 307 A HN 0.366 nan 8.150 nan 0.000 0.516 308 V N 6.265 126.115 119.914 -0.107 0.000 2.406 308 V HA 0.134 4.254 4.120 -0.000 0.000 0.272 308 V C 1.544 177.598 176.094 -0.066 0.000 1.043 308 V CA -0.490 61.756 62.300 -0.091 0.000 0.915 308 V CB 0.955 32.708 31.823 -0.115 0.000 0.988 308 V HN 1.041 nan 8.190 nan 0.000 0.466 309 R N 3.727 124.197 120.500 -0.050 0.000 2.081 309 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 309 R C 1.299 177.584 176.300 -0.025 0.000 1.131 309 R CA 1.403 57.475 56.100 -0.046 0.000 0.960 309 R CB -0.196 30.079 30.300 -0.043 0.000 0.856 309 R HN 0.724 nan 8.270 nan 0.000 0.436 310 A N 1.980 124.813 122.820 0.021 0.000 3.037 310 A HA 0.265 4.585 4.320 -0.000 0.000 0.272 310 A C -0.465 177.221 177.584 0.169 0.000 1.723 310 A CA 0.078 52.184 52.037 0.115 0.000 1.413 310 A CB -0.012 19.080 19.000 0.154 0.000 1.112 310 A HN 0.065 nan 8.150 nan 0.000 0.606 311 S N 0.564 116.333 115.700 0.115 0.000 2.569 311 S HA 0.526 4.995 4.470 -0.000 0.000 0.280 311 S C -1.051 173.633 174.600 0.140 0.000 1.111 311 S CA -0.587 57.694 58.200 0.134 0.000 0.887 311 S CB 1.230 64.421 63.200 -0.016 0.000 1.095 311 S HN 0.693 nan 8.310 nan 0.000 0.476 312 W N 3.886 125.213 121.300 0.044 0.000 2.308 312 W HA 0.572 5.232 4.660 -0.000 0.000 0.311 312 W C -1.848 174.524 176.519 -0.245 0.000 1.088 312 W CA -0.489 56.830 57.345 -0.043 0.000 1.309 312 W CB 0.591 30.125 29.460 0.123 0.000 1.229 312 W HN 0.345 nan 8.180 nan 0.000 0.427 313 V N 7.611 127.077 119.914 -0.747 0.000 2.417 313 V HA 0.435 4.555 4.120 -0.000 0.000 0.291 313 V C -0.049 175.628 176.094 -0.696 0.000 1.024 313 V CA -0.356 61.468 62.300 -0.793 0.000 0.861 313 V CB 1.317 32.166 31.823 -1.622 0.000 0.985 313 V HN 0.680 nan 8.190 nan 0.000 0.436 314 H N 2.521 121.514 119.070 -0.128 0.000 2.948 314 H HA 0.904 5.460 4.556 -0.000 0.000 0.315 314 H C -1.320 174.270 175.328 0.436 0.000 1.360 314 H CA -1.289 54.805 56.048 0.077 0.000 1.125 314 H CB 2.228 32.058 29.762 0.113 0.000 1.844 314 H HN 0.436 nan 8.280 nan 0.000 0.529 315 K N 1.091 121.633 120.400 0.235 0.000 2.570 315 K HA 0.267 4.587 4.320 -0.000 0.000 0.256 315 K C -1.443 175.287 176.600 0.217 0.000 0.939 315 K CA -0.057 56.320 56.287 0.150 0.000 0.833 315 K CB 2.136 34.714 32.500 0.129 0.000 1.318 315 K HN 0.928 nan 8.250 nan 0.000 0.433 316 T N -0.107 114.571 114.554 0.206 0.000 2.928 316 T HA 0.885 5.235 4.350 -0.000 0.000 0.284 316 T C 0.263 175.062 174.700 0.165 0.000 1.008 316 T CA -0.541 61.711 62.100 0.253 0.000 1.057 316 T CB 1.676 70.596 68.868 0.086 0.000 1.018 316 T HN 0.632 nan 8.240 nan 0.000 0.493 317 G N -0.544 108.357 108.800 0.167 0.000 2.733 317 G HA2 0.761 4.721 3.960 -0.000 0.000 0.297 317 G HA3 0.761 4.721 3.960 -0.000 0.000 0.297 317 G C -1.542 173.443 174.900 0.141 0.000 1.422 317 G CA -0.620 44.578 45.100 0.163 0.000 0.942 317 G HN 1.154 nan 8.290 nan 0.000 0.510 318 A N 0.403 123.304 122.820 0.134 0.000 2.594 318 A HA 0.971 5.291 4.320 -0.000 0.000 0.295 318 A C -0.045 177.618 177.584 0.133 0.000 1.071 318 A CA 0.084 52.203 52.037 0.138 0.000 0.685 318 A CB 1.646 20.693 19.000 0.077 0.000 1.285 318 A HN 1.839 nan 8.150 nan 0.000 0.405 319 T N -1.934 112.737 114.554 0.195 0.000 2.773 319 T HA 0.640 4.990 4.350 -0.000 0.000 0.278 319 T C 1.322 176.131 174.700 0.181 0.000 1.011 319 T CA 0.130 62.326 62.100 0.160 0.000 1.014 319 T CB 1.008 70.015 68.868 0.233 0.000 1.293 319 T HN 1.559 nan 8.240 nan 0.000 0.554 320 G N -0.310 108.582 108.800 0.154 0.000 2.442 320 G HA2 0.136 4.096 3.960 -0.000 0.000 0.219 320 G HA3 0.136 4.096 3.960 -0.000 0.000 0.219 320 G C 1.159 176.154 174.900 0.158 0.000 1.141 320 G CA 0.641 45.820 45.100 0.132 0.000 0.763 320 G HN 1.163 nan 8.290 nan 0.000 0.554 321 G N -1.404 107.541 108.800 0.241 0.000 3.324 321 G HA2 0.484 4.444 3.960 -0.000 0.000 0.251 321 G HA3 0.484 4.444 3.960 -0.000 0.000 0.251 321 G C -0.392 174.509 174.900 0.001 0.000 1.072 321 G CA -0.453 44.711 45.100 0.106 0.000 0.787 321 G HN 0.195 nan 8.290 nan 0.000 0.537 322 F N -0.658 119.420 119.950 0.213 0.000 2.613 322 F HA 0.719 5.246 4.527 -0.000 0.000 0.314 322 F C 0.302 176.234 175.800 0.220 0.000 1.075 322 F CA -1.094 57.069 58.000 0.271 0.000 0.945 322 F CB 2.358 41.540 39.000 0.304 0.000 1.310 322 F HN 0.015 nan 8.300 nan 0.000 0.467 323 G N 0.549 109.617 108.800 0.447 0.000 2.707 323 G HA2 0.573 4.533 3.960 -0.000 0.000 0.299 323 G HA3 0.573 4.533 3.960 -0.000 0.000 0.299 323 G C -1.629 173.436 174.900 0.276 0.000 1.442 323 G CA -0.745 44.500 45.100 0.242 0.000 1.009 323 G HN 0.746 nan 8.290 nan 0.000 0.515 324 S N 0.697 116.529 115.700 0.220 0.000 2.599 324 S HA 0.855 5.325 4.470 -0.000 0.000 0.287 324 S C -1.501 173.285 174.600 0.311 0.000 1.105 324 S CA -0.995 57.357 58.200 0.254 0.000 0.899 324 S CB 2.483 65.829 63.200 0.242 0.000 1.100 324 S HN 1.098 nan 8.310 nan 0.000 0.482 325 Y N 0.147 120.548 120.300 0.169 0.000 2.519 325 Y HA 0.636 5.186 4.550 -0.000 0.000 0.336 325 Y C -1.990 174.057 175.900 0.244 0.000 1.089 325 Y CA -0.948 57.265 58.100 0.189 0.000 1.025 325 Y CB 1.594 40.164 38.460 0.183 0.000 1.318 325 Y HN 0.784 nan 8.280 nan 0.000 0.452 326 V N 4.267 123.991 119.914 -0.316 0.000 2.760 326 V HA 0.976 5.096 4.120 -0.000 0.000 0.309 326 V C -0.909 174.920 176.094 -0.442 0.000 1.077 326 V CA -0.292 61.923 62.300 -0.142 0.000 0.910 326 V CB 1.547 33.547 31.823 0.295 0.000 1.008 326 V HN 1.022 nan 8.190 nan 0.000 0.424 327 A N 4.549 127.154 122.820 -0.359 0.000 2.520 327 A HA 1.032 5.352 4.320 -0.000 0.000 0.298 327 A C -1.317 175.989 177.584 -0.464 0.000 1.051 327 A CA -0.510 51.176 52.037 -0.585 0.000 0.690 327 A CB 1.811 20.352 19.000 -0.764 0.000 1.281 327 A HN 1.483 nan 8.150 nan 0.000 0.402 328 F N -0.710 118.794 119.950 -0.744 0.000 2.668 328 F HA 0.835 5.362 4.527 -0.000 0.000 0.309 328 F C -1.441 174.012 175.800 -0.579 0.000 1.117 328 F CA -1.230 56.413 58.000 -0.595 0.000 0.951 328 F CB 1.309 40.022 39.000 -0.477 0.000 1.323 328 F HN 0.312 nan 8.300 nan 0.000 0.451 329 I N 2.538 122.940 120.570 -0.280 0.000 2.466 329 I HA 0.316 4.486 4.170 -0.000 0.000 0.279 329 I C -2.121 173.893 176.117 -0.171 0.000 1.033 329 I CA -1.878 59.227 61.300 -0.324 0.000 1.123 329 I CB 1.855 39.537 38.000 -0.530 0.000 1.237 329 I HN 0.386 nan 8.210 nan 0.000 0.460 330 P HA -0.238 nan 4.420 nan 0.000 0.215 330 P C 1.443 178.677 177.300 -0.111 0.000 1.157 330 P CA 1.281 64.344 63.100 -0.063 0.000 0.874 330 P CB 0.284 31.960 31.700 -0.040 0.000 0.790 331 E N 0.251 120.381 120.200 -0.117 0.000 2.209 331 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 331 E C 1.212 177.732 176.600 -0.134 0.000 0.993 331 E CA 1.173 57.511 56.400 -0.103 0.000 0.819 331 E CB -0.172 29.488 29.700 -0.067 0.000 0.745 331 E HN 0.220 nan 8.360 nan 0.000 0.477 332 K N 0.005 120.287 120.400 -0.197 0.000 2.358 332 K HA 0.057 4.377 4.320 -0.000 0.000 0.197 332 K C -0.285 176.196 176.600 -0.199 0.000 1.025 332 K CA 0.251 56.413 56.287 -0.208 0.000 1.104 332 K CB 0.560 32.887 32.500 -0.288 0.000 0.855 332 K HN 0.114 nan 8.250 nan 0.000 0.531 333 E N 0.839 120.933 120.200 -0.176 0.000 2.389 333 E HA -0.218 4.132 4.350 -0.000 0.000 0.243 333 E C -0.832 175.669 176.600 -0.165 0.000 1.154 333 E CA 0.306 56.605 56.400 -0.169 0.000 0.723 333 E CB -1.438 28.158 29.700 -0.174 0.000 1.261 333 E HN 0.116 nan 8.360 nan 0.000 0.390 334 L N -0.333 120.797 121.223 -0.156 0.000 2.386 334 L HA 0.797 5.137 4.340 -0.000 0.000 0.271 334 L C 0.105 176.915 176.870 -0.100 0.000 0.993 334 L CA 0.244 55.015 54.840 -0.115 0.000 0.819 334 L CB 2.078 44.046 42.059 -0.152 0.000 1.294 334 L HN 0.082 nan 8.230 nan 0.000 0.414 335 G N 4.101 112.871 108.800 -0.049 0.000 2.608 335 G HA2 0.626 4.586 3.960 -0.000 0.000 0.291 335 G HA3 0.626 4.586 3.960 -0.000 0.000 0.291 335 G C -2.209 172.693 174.900 0.004 0.000 1.425 335 G CA -0.456 44.618 45.100 -0.044 0.000 0.787 335 G HN 0.804 nan 8.290 nan 0.000 0.484 336 I N -0.327 120.249 120.570 0.011 0.000 2.827 336 I HA 0.652 4.822 4.170 -0.000 0.000 0.298 336 I C -1.410 174.769 176.117 0.103 0.000 1.235 336 I CA -0.964 60.384 61.300 0.081 0.000 1.021 336 I CB 2.293 40.361 38.000 0.113 0.000 1.259 336 I HN 0.395 nan 8.210 nan 0.000 0.427 337 V N 7.258 127.270 119.914 0.163 0.000 2.588 337 V HA 0.543 4.663 4.120 -0.000 0.000 0.304 337 V C -0.514 175.711 176.094 0.220 0.000 1.042 337 V CA -0.439 61.977 62.300 0.193 0.000 0.877 337 V CB 1.870 33.822 31.823 0.215 0.000 0.996 337 V HN 0.647 nan 8.190 nan 0.000 0.425 338 M N 6.147 125.888 119.600 0.235 0.000 2.142 338 M HA 0.605 5.085 4.480 -0.000 0.000 0.299 338 M C -1.365 175.038 176.300 0.171 0.000 0.960 338 M CA -0.138 55.299 55.300 0.229 0.000 0.920 338 M CB 1.915 34.696 32.600 0.303 0.000 1.541 338 M HN 0.377 nan 8.290 nan 0.000 0.429 339 L N 2.875 124.104 121.223 0.009 0.000 2.356 339 L HA 0.989 5.329 4.340 -0.000 0.000 0.277 339 L C -0.437 176.301 176.870 -0.220 0.000 0.996 339 L CA -0.724 53.985 54.840 -0.219 0.000 0.822 339 L CB 1.819 43.404 42.059 -0.790 0.000 1.256 339 L HN 0.797 nan 8.230 nan 0.000 0.413 340 A N 1.965 124.900 122.820 0.193 0.000 2.475 340 A HA 0.595 4.915 4.320 -0.000 0.000 0.301 340 A C -0.450 177.480 177.584 0.576 0.000 1.059 340 A CA -0.746 51.528 52.037 0.396 0.000 0.710 340 A CB 1.311 20.546 19.000 0.392 0.000 1.288 340 A HN 0.754 nan 8.150 nan 0.000 0.408 341 N N 1.225 120.191 118.700 0.444 0.000 2.575 341 N HA 0.189 4.929 4.740 -0.000 0.000 0.275 341 N C -0.496 175.003 175.510 -0.018 0.000 1.202 341 N CA -0.111 52.905 53.050 -0.056 0.000 0.945 341 N CB 0.244 38.670 38.487 -0.102 0.000 1.247 341 N HN 0.599 nan 8.380 nan 0.000 0.510 342 K N 0.156 120.642 120.400 0.144 0.000 2.543 342 K HA 0.219 4.539 4.320 -0.000 0.000 0.255 342 K C -1.661 175.122 176.600 0.304 0.000 0.934 342 K CA -0.677 55.721 56.287 0.185 0.000 0.810 342 K CB 1.244 33.849 32.500 0.174 0.000 1.315 342 K HN -0.009 nan 8.250 nan 0.000 0.433 343 N N 3.925 122.764 118.700 0.231 0.000 2.555 343 N HA 0.110 4.850 4.740 -0.000 0.000 0.244 343 N C -1.364 174.254 175.510 0.181 0.000 1.114 343 N CA -0.148 53.016 53.050 0.190 0.000 0.963 343 N CB -0.109 38.460 38.487 0.137 0.000 1.276 343 N HN 0.444 nan 8.380 nan 0.000 0.510 344 Y N 1.492 121.833 120.300 0.069 0.000 2.488 344 Y HA 0.760 5.310 4.550 -0.000 0.000 0.325 344 Y C -2.478 173.439 175.900 0.029 0.000 1.204 344 Y CA -3.407 54.717 58.100 0.040 0.000 1.229 344 Y CB -0.618 37.859 38.460 0.029 0.000 1.274 344 Y HN 0.268 nan 8.280 nan 0.000 0.493 345 P HA -0.001 nan 4.420 nan 0.000 0.262 345 P C 0.137 177.319 177.300 -0.195 0.000 1.182 345 P CA 0.334 63.387 63.100 -0.079 0.000 0.761 345 P CB 0.669 32.374 31.700 0.008 0.000 0.795 346 N N 4.702 123.288 118.700 -0.191 0.000 2.061 346 N HA -0.155 4.585 4.740 -0.000 0.000 0.193 346 N C -0.878 174.526 175.510 -0.177 0.000 1.030 346 N CA 1.900 54.822 53.050 -0.213 0.000 0.856 346 N CB -1.860 36.531 38.487 -0.160 0.000 1.023 346 N HN 0.460 nan 8.380 nan 0.000 0.424 347 P HA -0.027 nan 4.420 nan 0.000 0.220 347 P C 1.005 178.283 177.300 -0.037 0.000 1.148 347 P CA 1.306 64.362 63.100 -0.074 0.000 0.803 347 P CB -0.039 31.631 31.700 -0.049 0.000 0.782 348 A N -0.070 122.753 122.820 0.005 0.000 1.969 348 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 348 A C 2.187 179.842 177.584 0.119 0.000 1.169 348 A CA 1.173 53.266 52.037 0.092 0.000 0.635 348 A CB -0.838 18.284 19.000 0.204 0.000 0.810 348 A HN 0.097 nan 8.150 nan 0.000 0.445 349 R N -0.567 119.952 120.500 0.032 0.000 2.066 349 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 349 R C 1.983 178.219 176.300 -0.108 0.000 1.131 349 R CA 1.517 57.615 56.100 -0.002 0.000 0.955 349 R CB -0.694 29.463 30.300 -0.238 0.000 0.851 349 R HN 0.359 nan 8.270 nan 0.000 0.432 350 V N 1.687 121.441 119.914 -0.267 0.000 2.358 350 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 350 V C 2.059 178.230 176.094 0.128 0.000 1.047 350 V CA 1.870 64.064 62.300 -0.177 0.000 1.035 350 V CB -0.521 31.208 31.823 -0.156 0.000 0.658 350 V HN 0.297 nan 8.190 nan 0.000 0.452 351 D N 0.501 120.952 120.400 0.085 0.000 2.104 351 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 351 D C 2.194 178.631 176.300 0.227 0.000 0.994 351 D CA 1.816 55.906 54.000 0.150 0.000 0.830 351 D CB -0.020 40.829 40.800 0.081 0.000 0.959 351 D HN 0.379 nan 8.370 nan 0.000 0.452 352 A N 0.814 123.739 122.820 0.176 0.000 1.877 352 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 352 A C 2.419 180.144 177.584 0.235 0.000 1.186 352 A CA 2.489 54.626 52.037 0.167 0.000 0.620 352 A CB -0.932 18.143 19.000 0.124 0.000 0.822 352 A HN 0.303 nan 8.150 nan 0.000 0.443 353 A N -1.141 121.883 122.820 0.341 0.000 1.908 353 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 353 A C 2.116 180.014 177.584 0.522 0.000 1.181 353 A CA 1.453 53.773 52.037 0.472 0.000 0.627 353 A CB -0.935 18.538 19.000 0.787 0.000 0.818 353 A HN 0.888 nan 8.150 nan 0.000 0.445 354 W N 0.586 122.110 121.300 0.374 0.000 2.355 354 W HA -0.191 4.469 4.660 -0.000 0.000 0.309 354 W C 1.878 178.527 176.519 0.216 0.000 1.206 354 W CA 1.967 59.487 57.345 0.292 0.000 1.284 354 W CB -0.304 29.201 29.460 0.076 0.000 1.145 354 W HN 0.381 nan 8.180 nan 0.000 0.502 355 Q N 0.769 120.646 119.800 0.128 0.000 2.096 355 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 355 Q C 2.240 178.193 176.000 -0.078 0.000 0.982 355 Q CA 2.161 57.956 55.803 -0.013 0.000 0.850 355 Q CB -0.982 27.807 28.738 0.085 0.000 0.901 355 Q HN 0.500 nan 8.270 nan 0.000 0.422 356 I N 0.187 120.759 120.570 0.005 0.000 2.193 356 I HA -0.248 3.922 4.170 -0.000 0.000 0.240 356 I C 2.274 178.368 176.117 -0.037 0.000 1.084 356 I CA 0.830 62.122 61.300 -0.014 0.000 1.365 356 I CB -0.284 37.729 38.000 0.022 0.000 1.064 356 I HN 0.103 nan 8.210 nan 0.000 0.410 357 L N 0.237 121.462 121.223 0.004 0.000 2.141 357 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 357 L C 2.295 179.088 176.870 -0.129 0.000 1.094 357 L CA 1.342 56.175 54.840 -0.012 0.000 0.763 357 L CB -0.815 41.306 42.059 0.102 0.000 0.908 357 L HN 0.428 nan 8.230 nan 0.000 0.437 358 N N 0.316 118.798 118.700 -0.363 0.000 2.331 358 N HA -0.129 4.611 4.740 -0.000 0.000 0.180 358 N C 1.817 177.221 175.510 -0.176 0.000 1.019 358 N CA 0.941 53.734 53.050 -0.429 0.000 0.881 358 N CB 0.236 38.109 38.487 -1.023 0.000 0.972 358 N HN 0.298 nan 8.380 nan 0.000 0.435 359 A N 0.698 123.432 122.820 -0.143 0.000 2.014 359 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 359 A C 1.966 179.533 177.584 -0.028 0.000 1.163 359 A CA 0.636 52.632 52.037 -0.068 0.000 0.652 359 A CB -0.163 18.798 19.000 -0.065 0.000 0.808 359 A HN 0.281 nan 8.150 nan 0.000 0.449 360 L N -0.670 120.545 121.223 -0.012 0.000 2.554 360 L HA 0.068 4.408 4.340 -0.000 0.000 0.225 360 L C 1.563 178.508 176.870 0.126 0.000 1.104 360 L CA -0.120 54.763 54.840 0.073 0.000 0.866 360 L CB -0.348 41.771 42.059 0.101 0.000 1.047 360 L HN 0.598 nan 8.230 nan 0.000 0.468 361 Q N 0.000 119.824 119.800 0.039 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.818 55.803 0.026 0.000 1.022 361 Q CB 0.000 28.806 28.738 0.114 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481