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 2c0i_1_B DATA FIRST_RESID 59 DATA SEQUENCE RIIVVALYDY EAIHHEDLSF QKGDQMVVLE ESGEWWKARS LATRKEGYIP DATA SEQUENCE SNYVARVDSL ETEEWFFKGI SRKDAERQLL APGNMLGSFM IRDSETTKGS DATA SEQUENCE YSLSVRDYDP RQGDTVKHYK IRTLDNGGFY ISPRSTFSTL QELVDHYKKG DATA SEQUENCE NDGLCQKLSV PCMSSKPQKP WEKDAWEIPR ESLKLEKKLG AGQFGEVWMA DATA SEQUENCE TYNKHTKVAV KTMKPGSMSV EAFLAEANVM KTLQHDKLVK LHAVVTKEPI DATA SEQUENCE YIITEFMAKG SLLDFLKSDE GSKQPLPKLI DFSAQIAEGM AFIEQRNYIH DATA SEQUENCE RDLRAANILV SASLVCKIAD FGLARVIXXX XXXXXXXXXX PIKWTAPEAI DATA SEQUENCE NFGSFTIKSD VWSFGILLME IVTYGRIPYP GMSNPEVIRA LERGYRMPRP DATA SEQUENCE ENCPEELYNI MMRCWKNRPE ERPTFEYIQS VLDDFYTATE SQXEEIP 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 59 R HA 0.000 nan 4.340 nan 0.000 0.208 59 R C 0.000 176.291 176.300 -0.016 0.000 0.893 59 R CA 0.000 56.089 56.100 -0.018 0.000 0.921 59 R CB 0.000 30.292 30.300 -0.013 0.000 0.687 60 I N 6.434 126.993 120.570 -0.018 0.000 2.354 60 I HA 0.391 4.561 4.170 -0.000 0.000 0.286 60 I C -0.175 175.944 176.117 0.004 0.000 1.007 60 I CA -0.647 60.648 61.300 -0.009 0.000 1.167 60 I CB 1.591 39.579 38.000 -0.021 0.000 1.320 60 I HN 0.442 nan 8.210 nan 0.000 0.458 61 I N 7.491 128.064 120.570 0.004 0.000 2.339 61 I HA 0.349 4.519 4.170 -0.000 0.000 0.290 61 I C 0.120 176.237 176.117 0.001 0.000 0.994 61 I CA -0.799 60.501 61.300 -0.001 0.000 1.191 61 I CB 1.477 39.470 38.000 -0.012 0.000 1.343 61 I HN 0.301 nan 8.210 nan 0.000 0.458 62 V N 4.831 124.745 119.914 0.000 0.000 3.093 62 V HA 0.718 4.838 4.120 -0.000 0.000 0.320 62 V C -0.460 175.584 176.094 -0.084 0.000 1.093 62 V CA -0.718 61.567 62.300 -0.026 0.000 1.016 62 V CB 2.129 33.956 31.823 0.006 0.000 1.096 62 V HN 0.485 nan 8.190 nan 0.000 0.452 63 V N 1.271 121.114 119.914 -0.120 0.000 2.823 63 V HA 0.867 4.987 4.120 -0.000 0.000 0.312 63 V C 0.438 176.412 176.094 -0.199 0.000 1.072 63 V CA -0.136 62.077 62.300 -0.145 0.000 0.937 63 V CB 1.753 33.504 31.823 -0.120 0.000 1.013 63 V HN 1.665 nan 8.190 nan 0.000 0.430 64 A N 5.941 128.639 122.820 -0.205 0.000 2.451 64 A HA 0.431 4.751 4.320 -0.000 0.000 0.266 64 A C 0.795 178.284 177.584 -0.159 0.000 1.119 64 A CA -0.119 51.812 52.037 -0.176 0.000 0.786 64 A CB 0.034 19.012 19.000 -0.038 0.000 1.061 64 A HN 0.993 nan 8.150 nan 0.000 0.503 65 L N 1.669 122.717 121.223 -0.292 0.000 2.313 65 L HA 0.049 4.388 4.340 -0.000 0.000 0.214 65 L C -0.286 176.120 176.870 -0.773 0.000 1.119 65 L CA 0.843 55.280 54.840 -0.672 0.000 0.809 65 L CB -0.477 40.922 42.059 -1.100 0.000 0.933 65 L HN 0.780 nan 8.230 nan 0.000 0.449 66 Y N -2.312 118.046 120.300 0.097 0.000 2.597 66 Y HA 0.314 4.864 4.550 -0.000 0.000 0.340 66 Y C -0.483 175.618 175.900 0.335 0.000 1.097 66 Y CA -1.844 56.337 58.100 0.134 0.000 1.037 66 Y CB 0.677 39.122 38.460 -0.025 0.000 1.305 66 Y HN -0.219 nan 8.280 nan 0.000 0.463 67 D N 1.043 121.675 120.400 0.387 0.000 2.414 67 D HA 0.083 4.723 4.640 -0.000 0.000 0.242 67 D C -1.192 175.267 176.300 0.264 0.000 1.129 67 D CA 0.767 54.929 54.000 0.269 0.000 0.885 67 D CB 0.611 41.496 40.800 0.142 0.000 1.198 67 D HN 0.517 nan 8.370 nan 0.000 0.437 68 Y N 0.279 120.413 120.300 -0.276 0.000 2.433 68 Y HA 0.262 4.812 4.550 -0.000 0.000 0.337 68 Y C -1.050 174.550 175.900 -0.500 0.000 1.026 68 Y CA -0.784 56.993 58.100 -0.538 0.000 1.037 68 Y CB 1.436 39.195 38.460 -1.168 0.000 1.245 68 Y HN 0.227 nan 8.280 nan 0.000 0.443 69 E N 4.370 123.982 120.200 -0.981 0.000 2.156 69 E HA 0.640 4.990 4.350 -0.000 0.000 0.279 69 E C -0.716 175.263 176.600 -1.034 0.000 0.965 69 E CA -0.941 55.008 56.400 -0.751 0.000 0.789 69 E CB 1.459 30.900 29.700 -0.431 0.000 1.098 69 E HN 0.784 nan 8.360 nan 0.000 0.397 70 A N 3.290 125.769 122.820 -0.567 0.000 2.531 70 A HA 0.152 4.472 4.320 -0.000 0.000 0.236 70 A C 0.729 178.110 177.584 -0.338 0.000 1.062 70 A CA 0.359 52.219 52.037 -0.296 0.000 0.760 70 A CB -0.286 18.676 19.000 -0.063 0.000 0.995 70 A HN 0.810 nan 8.150 nan 0.000 0.501 71 I N -2.192 118.144 120.570 -0.390 0.000 4.779 71 I HA 0.292 4.462 4.170 -0.000 0.000 0.339 71 I C 0.361 176.084 176.117 -0.658 0.000 1.293 71 I CA -0.412 60.562 61.300 -0.544 0.000 1.324 71 I CB -0.099 37.442 38.000 -0.765 0.000 1.424 71 I HN 0.579 nan 8.210 nan 0.000 0.489 72 H N 0.369 119.292 119.070 -0.244 0.000 2.889 72 H HA 0.470 5.026 4.556 -0.000 0.000 0.279 72 H C 0.573 175.806 175.328 -0.158 0.000 1.553 72 H CA -0.502 55.371 56.048 -0.291 0.000 1.593 72 H CB 0.462 30.008 29.762 -0.360 0.000 1.718 72 H HN 0.000 nan 8.280 nan 0.000 0.901 73 H N 0.351 119.455 119.070 0.056 0.000 2.372 73 H HA 0.026 4.582 4.556 -0.000 0.000 0.301 73 H C 0.705 176.058 175.328 0.043 0.000 1.065 73 H CA 1.059 57.120 56.048 0.021 0.000 1.364 73 H CB 0.516 30.277 29.762 -0.002 0.000 1.406 73 H HN 0.620 nan 8.280 nan 0.000 0.521 74 E N 1.165 121.475 120.200 0.184 0.000 2.583 74 E HA 0.039 4.389 4.350 -0.000 0.000 0.213 74 E C -0.275 176.472 176.600 0.245 0.000 0.989 74 E CA -0.238 56.286 56.400 0.207 0.000 0.991 74 E CB 0.750 30.617 29.700 0.279 0.000 1.040 74 E HN 0.469 nan 8.360 nan 0.000 0.481 75 D N 0.719 121.247 120.400 0.213 0.000 2.329 75 D HA 0.151 4.791 4.640 -0.000 0.000 0.246 75 D C 0.058 176.528 176.300 0.285 0.000 1.111 75 D CA -0.213 53.975 54.000 0.312 0.000 0.941 75 D CB 1.277 42.325 40.800 0.413 0.000 1.169 75 D HN -0.064 nan 8.370 nan 0.000 0.441 76 L N 0.602 122.044 121.223 0.366 0.000 2.317 76 L HA 0.274 4.614 4.340 -0.000 0.000 0.281 76 L C 0.398 177.457 176.870 0.315 0.000 1.024 76 L CA -0.957 54.070 54.840 0.311 0.000 0.810 76 L CB 1.805 44.066 42.059 0.337 0.000 1.240 76 L HN 0.307 nan 8.230 nan 0.000 0.427 77 S N 2.553 118.339 115.700 0.144 0.000 2.548 77 S HA 0.594 5.064 4.470 -0.000 0.000 0.277 77 S C -0.650 174.035 174.600 0.142 0.000 1.315 77 S CA -0.243 57.956 58.200 -0.003 0.000 1.050 77 S CB 0.257 63.432 63.200 -0.042 0.000 0.918 77 S HN 0.382 nan 8.310 nan 0.000 0.497 78 F N -0.099 119.953 119.950 0.169 0.000 2.654 78 F HA 0.599 5.126 4.527 -0.000 0.000 0.308 78 F C -0.786 175.091 175.800 0.129 0.000 1.108 78 F CA -1.340 56.739 58.000 0.130 0.000 0.957 78 F CB 0.901 39.978 39.000 0.128 0.000 1.309 78 F HN 0.363 nan 8.300 nan 0.000 0.446 79 Q N 1.098 121.102 119.800 0.340 0.000 2.215 79 Q HA 0.370 4.710 4.340 -0.000 0.000 0.256 79 Q C -0.866 175.306 176.000 0.286 0.000 0.972 79 Q CA -1.384 54.572 55.803 0.254 0.000 0.889 79 Q CB 2.064 30.885 28.738 0.139 0.000 1.281 79 Q HN 0.688 nan 8.270 nan 0.000 0.456 80 K N 0.024 120.553 120.400 0.215 0.000 2.524 80 K HA 0.017 4.337 4.320 -0.000 0.000 0.279 80 K C 0.670 177.300 176.600 0.050 0.000 0.993 80 K CA 1.411 57.767 56.287 0.114 0.000 1.030 80 K CB -0.243 32.295 32.500 0.064 0.000 0.891 80 K HN 0.838 nan 8.250 nan 0.000 0.488 81 G N 3.045 111.842 108.800 -0.006 0.000 2.258 81 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.233 81 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.233 81 G C -0.397 174.494 174.900 -0.015 0.000 1.006 81 G CA 0.151 45.237 45.100 -0.022 0.000 0.620 81 G HN 0.734 nan 8.290 nan 0.000 0.511 82 D N 2.063 122.473 120.400 0.016 0.000 2.487 82 D HA 0.383 5.023 4.640 -0.000 0.000 0.243 82 D C 0.867 177.134 176.300 -0.054 0.000 1.154 82 D CA 0.625 54.631 54.000 0.011 0.000 0.876 82 D CB 0.540 41.387 40.800 0.077 0.000 1.161 82 D HN 0.510 nan 8.370 nan 0.000 0.478 83 Q N 1.731 121.507 119.800 -0.041 0.000 2.227 83 Q HA 0.611 4.951 4.340 -0.000 0.000 0.245 83 Q C -0.198 175.768 176.000 -0.056 0.000 0.926 83 Q CA -0.379 55.390 55.803 -0.057 0.000 0.895 83 Q CB 1.590 30.306 28.738 -0.036 0.000 1.230 83 Q HN 0.383 nan 8.270 nan 0.000 0.450 84 M N 1.279 120.840 119.600 -0.064 0.000 2.421 84 M HA 0.339 4.818 4.480 -0.000 0.000 0.287 84 M C -1.147 175.140 176.300 -0.022 0.000 1.183 84 M CA -0.867 54.403 55.300 -0.050 0.000 0.916 84 M CB 2.214 34.757 32.600 -0.095 0.000 1.701 84 M HN 0.234 nan 8.290 nan 0.000 0.470 85 V N 2.932 122.840 119.914 -0.010 0.000 2.498 85 V HA 0.250 4.370 4.120 -0.000 0.000 0.279 85 V C 0.000 176.099 176.094 0.008 0.000 1.048 85 V CA -0.663 61.635 62.300 -0.004 0.000 0.967 85 V CB 1.482 33.299 31.823 -0.010 0.000 0.988 85 V HN 0.620 nan 8.190 nan 0.000 0.473 86 V N 6.945 126.868 119.914 0.015 0.000 2.455 86 V HA 0.188 4.307 4.120 -0.000 0.000 0.273 86 V C 0.900 176.969 176.094 -0.042 0.000 1.045 86 V CA 0.106 62.416 62.300 0.016 0.000 0.976 86 V CB 1.115 32.937 31.823 -0.003 0.000 0.993 86 V HN 0.741 nan 8.190 nan 0.000 0.475 87 L N 3.103 124.300 121.223 -0.043 0.000 2.357 87 L HA 0.411 4.751 4.340 -0.000 0.000 0.211 87 L C 0.900 177.719 176.870 -0.085 0.000 1.075 87 L CA 0.631 55.435 54.840 -0.060 0.000 0.830 87 L CB 0.317 42.344 42.059 -0.054 0.000 0.996 87 L HN 0.652 nan 8.230 nan 0.000 0.467 88 E N 0.246 120.384 120.200 -0.104 0.000 2.354 88 E HA 0.199 4.548 4.350 -0.000 0.000 0.283 88 E C -1.268 175.160 176.600 -0.288 0.000 0.938 88 E CA -0.365 55.957 56.400 -0.131 0.000 0.777 88 E CB 1.766 31.463 29.700 -0.004 0.000 1.222 88 E HN 0.059 nan 8.360 nan 0.000 0.423 89 E N 1.951 121.870 120.200 -0.468 0.000 2.400 89 E HA 0.208 4.558 4.350 -0.000 0.000 0.232 89 E C -0.612 175.851 176.600 -0.227 0.000 0.988 89 E CA -0.188 55.675 56.400 -0.895 0.000 0.823 89 E CB 1.020 30.009 29.700 -1.185 0.000 1.246 89 E HN 0.249 nan 8.360 nan 0.000 0.441 90 S N 1.787 117.540 115.700 0.088 0.000 2.677 90 S HA 0.300 4.770 4.470 -0.000 0.000 0.246 90 S C 1.053 175.834 174.600 0.302 0.000 1.005 90 S CA -0.046 58.275 58.200 0.201 0.000 1.062 90 S CB 0.367 63.706 63.200 0.231 0.000 0.778 90 S HN 0.789 nan 8.310 nan 0.000 0.461 91 G N 2.941 111.977 108.800 0.393 0.000 2.833 91 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 91 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 91 G C 0.573 175.676 174.900 0.338 0.000 1.412 91 G CA 0.128 45.442 45.100 0.357 0.000 0.986 91 G HN 0.420 nan 8.290 nan 0.000 0.556 92 E N -0.180 120.139 120.200 0.197 0.000 2.216 92 E HA 0.088 4.438 4.350 -0.000 0.000 0.192 92 E C 0.154 176.607 176.600 -0.244 0.000 0.988 92 E CA 0.772 57.144 56.400 -0.047 0.000 0.834 92 E CB 0.185 29.866 29.700 -0.031 0.000 0.772 92 E HN 0.437 nan 8.360 nan 0.000 0.479 93 W N 0.027 121.411 121.300 0.140 0.000 2.532 93 W HA 0.284 4.944 4.660 -0.000 0.000 0.321 93 W C -0.681 176.140 176.519 0.502 0.000 1.037 93 W CA -0.903 56.557 57.345 0.191 0.000 1.220 93 W CB 0.769 30.291 29.460 0.104 0.000 1.361 93 W HN -0.080 nan 8.180 nan 0.000 0.468 94 W N 2.955 124.458 121.300 0.338 0.000 2.570 94 W HA 0.442 5.102 4.660 -0.000 0.000 0.337 94 W C 0.039 176.726 176.519 0.281 0.000 1.067 94 W CA -2.245 55.254 57.345 0.257 0.000 1.229 94 W CB 1.027 30.551 29.460 0.106 0.000 1.355 94 W HN 0.059 nan 8.180 nan 0.000 0.555 95 K N 2.086 122.685 120.400 0.331 0.000 2.258 95 K HA 0.645 4.965 4.320 -0.000 0.000 0.284 95 K C -0.469 176.124 176.600 -0.012 0.000 1.051 95 K CA -0.024 56.208 56.287 -0.093 0.000 0.923 95 K CB 0.573 32.909 32.500 -0.273 0.000 1.046 95 K HN 0.558 nan 8.250 nan 0.000 0.474 96 A N 4.106 126.903 122.820 -0.039 0.000 2.532 96 A HA 0.555 4.874 4.320 -0.000 0.000 0.290 96 A C -1.353 176.218 177.584 -0.022 0.000 1.143 96 A CA -0.879 51.162 52.037 0.006 0.000 0.728 96 A CB 1.471 20.505 19.000 0.055 0.000 1.317 96 A HN 0.797 nan 8.150 nan 0.000 0.414 97 R N 0.774 121.268 120.500 -0.010 0.000 2.343 97 R HA 0.494 4.834 4.340 -0.000 0.000 0.320 97 R C -0.339 175.964 176.300 0.005 0.000 0.956 97 R CA -0.104 55.993 56.100 -0.005 0.000 0.836 97 R CB 1.338 31.632 30.300 -0.010 0.000 1.151 97 R HN 0.823 nan 8.270 nan 0.000 0.450 98 S N 4.086 119.800 115.700 0.024 0.000 2.533 98 S HA 0.096 4.566 4.470 -0.000 0.000 0.282 98 S C 1.359 175.972 174.600 0.020 0.000 1.304 98 S CA -0.473 57.745 58.200 0.031 0.000 1.063 98 S CB 0.579 63.823 63.200 0.073 0.000 0.881 98 S HN 0.710 nan 8.310 nan 0.000 0.493 99 L N 4.390 125.619 121.223 0.011 0.000 2.240 99 L HA 0.064 4.403 4.340 -0.000 0.000 0.211 99 L C 2.669 179.549 176.870 0.017 0.000 1.106 99 L CA 1.011 55.856 54.840 0.009 0.000 0.793 99 L CB -0.728 41.331 42.059 -0.000 0.000 0.927 99 L HN 0.851 nan 8.230 nan 0.000 0.446 100 A N 0.271 123.108 122.820 0.028 0.000 1.897 100 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 100 A C 2.343 179.949 177.584 0.037 0.000 1.181 100 A CA 2.052 54.110 52.037 0.035 0.000 0.620 100 A CB -0.565 18.466 19.000 0.051 0.000 0.821 100 A HN 0.452 nan 8.150 nan 0.000 0.443 101 T N -6.231 108.349 114.554 0.044 0.000 3.023 101 T HA 0.191 4.541 4.350 -0.000 0.000 0.249 101 T C 0.916 175.634 174.700 0.031 0.000 1.050 101 T CA 0.506 62.631 62.100 0.042 0.000 1.088 101 T CB 0.265 69.166 68.868 0.056 0.000 0.946 101 T HN 0.361 nan 8.240 nan 0.000 0.480 102 R N 0.344 120.860 120.500 0.028 0.000 3.892 102 R HA -0.089 4.251 4.340 -0.000 0.000 0.441 102 R C -0.658 175.653 176.300 0.018 0.000 1.052 102 R CA 0.687 56.798 56.100 0.018 0.000 1.190 102 R CB -2.408 27.900 30.300 0.013 0.000 1.808 102 R HN 0.532 nan 8.270 nan 0.000 0.538 103 K N 1.850 122.268 120.400 0.030 0.000 2.249 103 K HA 0.273 4.593 4.320 -0.000 0.000 0.280 103 K C 0.193 176.806 176.600 0.022 0.000 1.033 103 K CA -0.146 56.159 56.287 0.030 0.000 0.946 103 K CB 0.833 33.361 32.500 0.047 0.000 1.005 103 K HN 0.087 nan 8.250 nan 0.000 0.469 104 E N 1.093 121.294 120.200 0.001 0.000 2.156 104 E HA 0.440 4.790 4.350 -0.000 0.000 0.279 104 E C -0.150 176.415 176.600 -0.058 0.000 0.965 104 E CA -0.679 55.701 56.400 -0.034 0.000 0.789 104 E CB 1.745 31.416 29.700 -0.049 0.000 1.098 104 E HN 0.761 nan 8.360 nan 0.000 0.397 105 G N 1.826 110.567 108.800 -0.098 0.000 2.554 105 G HA2 0.271 4.231 3.960 -0.000 0.000 0.306 105 G HA3 0.271 4.231 3.960 -0.000 0.000 0.306 105 G C -1.863 172.913 174.900 -0.206 0.000 1.320 105 G CA -0.744 44.279 45.100 -0.128 0.000 0.800 105 G HN 0.318 nan 8.290 nan 0.000 0.481 106 Y N 0.287 120.700 120.300 0.187 0.000 2.308 106 Y HA 0.597 5.147 4.550 -0.000 0.000 0.329 106 Y C 0.988 177.147 175.900 0.432 0.000 1.111 106 Y CA -0.390 57.878 58.100 0.280 0.000 1.179 106 Y CB 1.366 39.921 38.460 0.158 0.000 1.201 106 Y HN 0.561 nan 8.280 nan 0.000 0.483 107 I N 1.973 122.885 120.570 0.569 0.000 2.569 107 I HA 0.641 4.811 4.170 -0.000 0.000 0.296 107 I C -2.881 173.262 176.117 0.043 0.000 1.028 107 I CA -3.058 58.453 61.300 0.353 0.000 1.082 107 I CB 2.413 40.527 38.000 0.190 0.000 1.264 107 I HN 0.258 nan 8.210 nan 0.000 0.429 108 P HA 0.073 nan 4.420 nan 0.000 0.276 108 P C 0.606 177.625 177.300 -0.468 0.000 1.253 108 P CA -0.142 62.427 63.100 -0.885 0.000 0.766 108 P CB 1.268 32.293 31.700 -1.125 0.000 0.845 109 S N 2.506 117.850 115.700 -0.594 0.000 2.515 109 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 109 S C 1.173 175.444 174.600 -0.548 0.000 0.987 109 S CA 0.418 58.111 58.200 -0.845 0.000 0.936 109 S CB -0.910 61.385 63.200 -1.508 0.000 0.766 109 S HN 0.462 nan 8.310 nan 0.000 0.528 110 N N -0.016 118.515 118.700 -0.282 0.000 2.398 110 N HA 0.009 4.749 4.740 -0.000 0.000 0.188 110 N C 0.511 176.030 175.510 0.015 0.000 1.122 110 N CA 0.115 53.089 53.050 -0.128 0.000 0.866 110 N CB -0.716 37.717 38.487 -0.090 0.000 0.970 110 N HN 0.473 nan 8.380 nan 0.000 0.462 111 Y N 0.664 120.899 120.300 -0.109 0.000 2.478 111 Y HA 0.224 4.774 4.550 -0.000 0.000 0.261 111 Y C 1.133 177.013 175.900 -0.035 0.000 1.127 111 Y CA -0.398 57.781 58.100 0.131 0.000 1.288 111 Y CB 0.506 39.096 38.460 0.217 0.000 1.084 111 Y HN 0.022 nan 8.280 nan 0.000 0.530 112 V N -2.555 117.297 119.914 -0.103 0.000 3.113 112 V HA 1.020 5.140 4.120 -0.000 0.000 0.316 112 V C -0.582 175.384 176.094 -0.213 0.000 1.125 112 V CA -1.180 60.992 62.300 -0.213 0.000 1.026 112 V CB 1.465 33.127 31.823 -0.268 0.000 1.080 112 V HN -0.097 nan 8.190 nan 0.000 0.444 113 A N 1.331 124.043 122.820 -0.181 0.000 2.594 113 A HA 0.790 5.110 4.320 -0.000 0.000 0.295 113 A C -0.410 177.124 177.584 -0.084 0.000 1.071 113 A CA -1.080 50.877 52.037 -0.132 0.000 0.685 113 A CB 1.556 20.464 19.000 -0.154 0.000 1.285 113 A HN 0.848 nan 8.150 nan 0.000 0.405 114 R N 0.649 121.128 120.500 -0.035 0.000 2.566 114 R HA 0.101 4.441 4.340 -0.000 0.000 0.273 114 R C 0.055 176.321 176.300 -0.057 0.000 0.981 114 R CA 0.040 56.129 56.100 -0.019 0.000 1.091 114 R CB -0.053 30.247 30.300 0.001 0.000 0.924 114 R HN 0.513 nan 8.270 nan 0.000 0.411 115 V N 3.987 123.873 119.914 -0.048 0.000 2.720 115 V HA -0.155 3.965 4.120 -0.000 0.000 0.307 115 V C 1.071 177.126 176.094 -0.065 0.000 1.071 115 V CA 1.081 63.345 62.300 -0.060 0.000 1.199 115 V CB 0.157 31.955 31.823 -0.042 0.000 0.900 115 V HN 0.860 nan 8.190 nan 0.000 0.494 116 D N 1.317 121.667 120.400 -0.082 0.000 3.028 116 D HA -0.178 4.462 4.640 -0.000 0.000 0.211 116 D C 0.855 177.088 176.300 -0.112 0.000 1.136 116 D CA 1.509 55.458 54.000 -0.085 0.000 0.987 116 D CB -0.691 40.079 40.800 -0.050 0.000 1.128 116 D HN 0.931 nan 8.370 nan 0.000 0.406 117 S N -0.697 114.929 115.700 -0.125 0.000 2.589 117 S HA 0.199 4.669 4.470 -0.000 0.000 0.265 117 S C 1.709 176.152 174.600 -0.262 0.000 1.342 117 S CA -0.591 57.516 58.200 -0.156 0.000 1.005 117 S CB 0.856 63.982 63.200 -0.123 0.000 0.909 117 S HN 0.266 nan 8.310 nan 0.000 0.555 118 L N 0.894 121.893 121.223 -0.373 0.000 2.043 118 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 118 L C 2.803 179.326 176.870 -0.579 0.000 1.075 118 L CA 1.971 56.414 54.840 -0.663 0.000 0.752 118 L CB -0.854 40.487 42.059 -1.197 0.000 0.891 118 L HN 0.810 nan 8.230 nan 0.000 0.432 119 E N -0.584 119.406 120.200 -0.351 0.000 2.273 119 E HA -0.244 4.106 4.350 -0.000 0.000 0.198 119 E C 1.900 178.327 176.600 -0.288 0.000 1.002 119 E CA 1.695 57.988 56.400 -0.177 0.000 0.828 119 E CB -0.191 29.438 29.700 -0.118 0.000 0.747 119 E HN 0.625 nan 8.360 nan 0.000 0.491 120 T N -0.996 113.368 114.554 -0.318 0.000 3.085 120 T HA -0.038 4.312 4.350 -0.000 0.000 0.263 120 T C 0.632 175.095 174.700 -0.395 0.000 1.127 120 T CA 0.141 62.050 62.100 -0.317 0.000 1.103 120 T CB 0.134 68.856 68.868 -0.243 0.000 0.921 120 T HN -0.115 nan 8.240 nan 0.000 0.510 121 E N 2.032 121.901 120.200 -0.551 0.000 2.289 121 E HA 0.180 4.530 4.350 -0.000 0.000 0.278 121 E C 0.812 176.957 176.600 -0.759 0.000 1.032 121 E CA -0.371 55.519 56.400 -0.851 0.000 0.854 121 E CB 1.112 29.819 29.700 -1.655 0.000 1.046 121 E HN 0.348 nan 8.360 nan 0.000 0.409 122 E N 2.678 122.516 120.200 -0.605 0.000 2.085 122 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 122 E C 1.801 178.212 176.600 -0.316 0.000 0.994 122 E CA 1.249 57.423 56.400 -0.376 0.000 0.801 122 E CB -0.099 29.512 29.700 -0.149 0.000 0.743 122 E HN 0.712 nan 8.360 nan 0.000 0.453 123 W N -0.398 120.888 121.300 -0.022 0.000 2.937 123 W HA 0.151 4.811 4.660 -0.000 0.000 0.245 123 W C 0.552 177.194 176.519 0.205 0.000 1.306 123 W CA -0.653 56.734 57.345 0.070 0.000 1.470 123 W CB -0.779 28.808 29.460 0.213 0.000 1.132 123 W HN -0.186 nan 8.180 nan 0.000 0.675 124 F N 1.711 121.538 119.950 -0.204 0.000 2.394 124 F HA 0.430 4.957 4.527 -0.000 0.000 0.340 124 F C -0.995 174.643 175.800 -0.270 0.000 1.105 124 F CA -1.218 56.738 58.000 -0.075 0.000 1.124 124 F CB 0.610 39.421 39.000 -0.315 0.000 1.145 124 F HN -0.333 nan 8.300 nan 0.000 0.505 125 F N 5.515 125.044 119.950 -0.701 0.000 2.577 125 F HA 0.314 4.840 4.527 -0.000 0.000 0.344 125 F C -0.185 175.314 175.800 -0.501 0.000 1.145 125 F CA -0.953 56.806 58.000 -0.402 0.000 0.996 125 F CB 1.332 40.192 39.000 -0.232 0.000 1.248 125 F HN 0.309 nan 8.300 nan 0.000 0.447 126 K N 1.588 121.935 120.400 -0.088 0.000 2.298 126 K HA 0.463 4.783 4.320 -0.000 0.000 0.280 126 K C 1.101 177.733 176.600 0.054 0.000 1.032 126 K CA 0.678 57.013 56.287 0.081 0.000 0.958 126 K CB 0.812 33.458 32.500 0.243 0.000 0.978 126 K HN 0.896 nan 8.250 nan 0.000 0.472 127 G N 3.816 112.654 108.800 0.064 0.000 2.179 127 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.257 127 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.257 127 G C -0.041 174.866 174.900 0.013 0.000 1.010 127 G CA -0.033 45.089 45.100 0.038 0.000 0.736 127 G HN 0.477 nan 8.290 nan 0.000 0.513 128 I N 2.185 122.758 120.570 0.006 0.000 2.301 128 I HA 0.336 4.505 4.170 -0.000 0.000 0.292 128 I C 1.355 177.465 176.117 -0.011 0.000 1.046 128 I CA -0.700 60.599 61.300 -0.001 0.000 1.282 128 I CB 0.439 38.443 38.000 0.006 0.000 1.409 128 I HN 0.402 nan 8.210 nan 0.000 0.484 129 S N 6.687 122.378 115.700 -0.015 0.000 2.596 129 S HA 0.196 4.666 4.470 -0.000 0.000 0.260 129 S C 1.399 175.971 174.600 -0.046 0.000 1.336 129 S CA -0.289 57.895 58.200 -0.028 0.000 0.993 129 S CB 1.269 64.455 63.200 -0.023 0.000 0.923 129 S HN 0.693 nan 8.310 nan 0.000 0.567 130 R N 0.738 121.179 120.500 -0.099 0.000 2.083 130 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 130 R C 2.121 178.349 176.300 -0.119 0.000 1.137 130 R CA 1.833 57.800 56.100 -0.222 0.000 0.951 130 R CB -0.437 29.638 30.300 -0.375 0.000 0.851 130 R HN 0.705 nan 8.270 nan 0.000 0.434 131 K N 0.817 121.175 120.400 -0.068 0.000 2.057 131 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 131 K C 1.506 178.113 176.600 0.012 0.000 1.049 131 K CA 2.060 58.341 56.287 -0.011 0.000 0.931 131 K CB -0.259 32.238 32.500 -0.004 0.000 0.714 131 K HN 0.211 nan 8.250 nan 0.000 0.440 132 D N -0.122 120.277 120.400 -0.001 0.000 2.178 132 D HA -0.084 4.555 4.640 -0.000 0.000 0.202 132 D C 1.671 177.962 176.300 -0.015 0.000 0.974 132 D CA 1.291 55.289 54.000 -0.004 0.000 0.841 132 D CB -0.146 40.648 40.800 -0.010 0.000 0.953 132 D HN 0.319 nan 8.370 nan 0.000 0.478 133 A N 1.200 124.017 122.820 -0.005 0.000 1.877 133 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 133 A C 2.129 179.716 177.584 0.005 0.000 1.186 133 A CA 1.792 53.817 52.037 -0.021 0.000 0.620 133 A CB -0.584 18.448 19.000 0.052 0.000 0.822 133 A HN 0.304 nan 8.150 nan 0.000 0.443 134 E N -0.258 120.001 120.200 0.099 0.000 2.110 134 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 134 E C 2.224 178.833 176.600 0.015 0.000 0.988 134 E CA 1.044 57.488 56.400 0.074 0.000 0.804 134 E CB -0.194 29.599 29.700 0.154 0.000 0.745 134 E HN 0.585 nan 8.360 nan 0.000 0.458 135 R N 0.080 120.588 120.500 0.012 0.000 2.070 135 R HA -0.136 4.204 4.340 -0.000 0.000 0.233 135 R C 2.658 178.948 176.300 -0.018 0.000 1.137 135 R CA 1.991 58.093 56.100 0.002 0.000 0.945 135 R CB -0.221 30.085 30.300 0.010 0.000 0.845 135 R HN 0.352 nan 8.270 nan 0.000 0.430 136 Q N 0.192 119.966 119.800 -0.043 0.000 2.167 136 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 136 Q C 2.159 178.104 176.000 -0.090 0.000 0.970 136 Q CA 0.971 56.732 55.803 -0.071 0.000 0.855 136 Q CB 0.072 28.738 28.738 -0.120 0.000 0.911 136 Q HN 0.369 nan 8.270 nan 0.000 0.438 137 L N 0.038 121.202 121.223 -0.098 0.000 2.240 137 L HA -0.099 4.241 4.340 -0.000 0.000 0.211 137 L C 1.849 178.689 176.870 -0.049 0.000 1.106 137 L CA 0.530 55.314 54.840 -0.093 0.000 0.793 137 L CB 0.045 42.043 42.059 -0.101 0.000 0.927 137 L HN 0.211 nan 8.230 nan 0.000 0.446 138 L N -0.597 120.606 121.223 -0.033 0.000 2.558 138 L HA 0.161 4.501 4.340 -0.000 0.000 0.225 138 L C 1.307 178.171 176.870 -0.010 0.000 1.128 138 L CA -0.487 54.343 54.840 -0.017 0.000 0.868 138 L CB -0.366 41.684 42.059 -0.014 0.000 1.006 138 L HN 0.089 nan 8.230 nan 0.000 0.454 139 A N 0.665 123.477 122.820 -0.013 0.000 2.425 139 A HA 0.357 4.677 4.320 -0.000 0.000 0.242 139 A C -2.075 175.508 177.584 -0.000 0.000 1.077 139 A CA -1.031 51.005 52.037 -0.002 0.000 0.781 139 A CB -0.438 18.561 19.000 -0.003 0.000 1.020 139 A HN -0.049 nan 8.150 nan 0.000 0.494 140 P HA 0.240 nan 4.420 nan 0.000 0.267 140 P C 1.101 178.405 177.300 0.007 0.000 1.195 140 P CA 1.730 64.836 63.100 0.010 0.000 0.773 140 P CB 0.462 32.173 31.700 0.018 0.000 0.837 141 G N 0.452 109.256 108.800 0.006 0.000 2.254 141 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.225 141 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.225 141 G C 0.214 175.116 174.900 0.004 0.000 1.003 141 G CA -0.394 44.711 45.100 0.008 0.000 0.622 141 G HN 0.584 nan 8.290 nan 0.000 0.507 142 N N 1.238 119.937 118.700 -0.003 0.000 2.492 142 N HA 0.749 5.488 4.740 -0.000 0.000 0.289 142 N C 0.775 176.283 175.510 -0.002 0.000 1.133 142 N CA 0.343 53.389 53.050 -0.007 0.000 0.961 142 N CB 1.290 39.764 38.487 -0.022 0.000 1.186 142 N HN 0.697 nan 8.380 nan 0.000 0.493 143 M N -0.857 118.746 119.600 0.005 0.000 2.752 143 M HA 0.501 4.981 4.480 -0.000 0.000 0.285 143 M C -0.685 175.626 176.300 0.018 0.000 1.140 143 M CA -0.948 54.354 55.300 0.004 0.000 0.767 143 M CB 0.442 33.045 32.600 0.004 0.000 1.736 143 M HN 0.109 nan 8.290 nan 0.000 0.452 144 L N 1.975 123.208 121.223 0.016 0.000 2.453 144 L HA 0.378 4.717 4.340 -0.000 0.000 0.272 144 L C 1.063 177.967 176.870 0.057 0.000 1.182 144 L CA 2.383 57.244 54.840 0.036 0.000 0.858 144 L CB 0.351 42.424 42.059 0.023 0.000 1.120 144 L HN 1.013 nan 8.230 nan 0.000 0.474 145 G N 2.379 111.223 108.800 0.074 0.000 2.205 145 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.261 145 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.261 145 G C 0.589 175.607 174.900 0.197 0.000 0.980 145 G CA 0.342 45.504 45.100 0.103 0.000 0.632 145 G HN 0.787 nan 8.290 nan 0.000 0.533 146 S N 0.580 116.366 115.700 0.144 0.000 2.558 146 S HA 0.522 4.992 4.470 -0.000 0.000 0.293 146 S C -0.062 174.640 174.600 0.171 0.000 1.292 146 S CA 0.861 59.136 58.200 0.126 0.000 1.063 146 S CB 0.210 63.422 63.200 0.020 0.000 0.831 146 S HN 1.410 nan 8.310 nan 0.000 0.499 147 F N 0.266 120.207 119.950 -0.013 0.000 2.711 147 F HA 0.829 5.356 4.527 -0.000 0.000 0.313 147 F C -1.083 174.709 175.800 -0.013 0.000 1.141 147 F CA -1.555 56.431 58.000 -0.023 0.000 0.941 147 F CB 1.328 40.325 39.000 -0.004 0.000 1.349 147 F HN 0.507 nan 8.300 nan 0.000 0.464 148 M N 2.375 122.054 119.600 0.131 0.000 2.465 148 M HA 0.636 5.116 4.480 -0.000 0.000 0.284 148 M C -2.146 174.329 176.300 0.292 0.000 1.212 148 M CA -0.831 54.545 55.300 0.128 0.000 0.910 148 M CB 2.488 34.893 32.600 -0.324 0.000 1.725 148 M HN 0.495 nan 8.290 nan 0.000 0.477 149 I N 2.568 123.376 120.570 0.397 0.000 2.428 149 I HA 0.693 4.863 4.170 -0.000 0.000 0.296 149 I C -0.151 175.971 176.117 0.008 0.000 0.985 149 I CA -0.390 61.079 61.300 0.282 0.000 1.260 149 I CB 1.411 39.685 38.000 0.456 0.000 1.389 149 I HN 0.923 nan 8.210 nan 0.000 0.484 150 R N 2.186 122.660 120.500 -0.043 0.000 2.716 150 R HA 0.438 4.778 4.340 -0.000 0.000 0.271 150 R C -1.593 174.747 176.300 0.066 0.000 1.028 150 R CA -0.944 54.999 56.100 -0.262 0.000 0.883 150 R CB 1.181 31.423 30.300 -0.097 0.000 1.250 150 R HN 0.348 nan 8.270 nan 0.000 0.465 151 D N 1.418 121.864 120.400 0.076 0.000 2.455 151 D HA -0.014 4.626 4.640 -0.000 0.000 0.241 151 D C -0.186 176.154 176.300 0.066 0.000 1.138 151 D CA 0.444 54.543 54.000 0.165 0.000 0.877 151 D CB 1.380 42.264 40.800 0.141 0.000 1.187 151 D HN 0.444 nan 8.370 nan 0.000 0.451 152 S N 1.176 116.893 115.700 0.027 0.000 2.531 152 S HA -0.031 4.439 4.470 -0.000 0.000 0.279 152 S C 1.132 175.727 174.600 -0.008 0.000 1.305 152 S CA -0.433 57.773 58.200 0.010 0.000 1.058 152 S CB 1.095 64.293 63.200 -0.002 0.000 0.899 152 S HN 0.475 nan 8.310 nan 0.000 0.493 153 E N 2.722 122.914 120.200 -0.014 0.000 2.046 153 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 153 E C 1.428 178.019 176.600 -0.015 0.000 0.982 153 E CA 1.560 57.950 56.400 -0.016 0.000 0.800 153 E CB -0.183 29.499 29.700 -0.031 0.000 0.756 153 E HN 0.865 nan 8.360 nan 0.000 0.449 154 T N -2.024 112.518 114.554 -0.020 0.000 3.107 154 T HA 0.135 4.485 4.350 -0.000 0.000 0.249 154 T C 0.186 174.879 174.700 -0.011 0.000 1.096 154 T CA -0.133 61.959 62.100 -0.015 0.000 1.012 154 T CB 0.417 69.273 68.868 -0.019 0.000 0.977 154 T HN -0.108 nan 8.240 nan 0.000 0.527 155 T N 2.924 117.469 114.554 -0.014 0.000 3.038 155 T HA 0.304 4.654 4.350 -0.000 0.000 0.344 155 T C -0.514 174.166 174.700 -0.033 0.000 1.054 155 T CA -0.924 61.165 62.100 -0.017 0.000 1.092 155 T CB 1.169 70.028 68.868 -0.014 0.000 1.031 155 T HN 0.080 nan 8.240 nan 0.000 0.482 156 K N 1.616 122.001 120.400 -0.025 0.000 2.511 156 K HA 0.240 4.560 4.320 -0.000 0.000 0.280 156 K C 1.445 178.012 176.600 -0.055 0.000 1.008 156 K CA 0.973 57.241 56.287 -0.031 0.000 1.050 156 K CB 0.313 32.807 32.500 -0.011 0.000 0.889 156 K HN 1.034 nan 8.250 nan 0.000 0.484 157 G N 1.639 110.386 108.800 -0.088 0.000 2.162 157 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 157 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 157 G C 0.135 174.876 174.900 -0.265 0.000 0.976 157 G CA 0.530 45.554 45.100 -0.127 0.000 0.655 157 G HN 0.537 nan 8.290 nan 0.000 0.533 158 S N -1.380 114.134 115.700 -0.310 0.000 2.715 158 S HA 0.876 5.346 4.470 -0.000 0.000 0.307 158 S C -0.864 173.440 174.600 -0.493 0.000 1.119 158 S CA -0.621 57.369 58.200 -0.349 0.000 0.937 158 S CB 1.362 64.511 63.200 -0.085 0.000 1.150 158 S HN 0.350 nan 8.310 nan 0.000 0.521 159 Y N 0.104 120.490 120.300 0.143 0.000 2.562 159 Y HA 0.698 5.248 4.550 -0.000 0.000 0.343 159 Y C 0.332 176.288 175.900 0.093 0.000 1.025 159 Y CA -0.719 57.463 58.100 0.137 0.000 1.082 159 Y CB 1.781 40.333 38.460 0.153 0.000 1.264 159 Y HN 0.489 nan 8.280 nan 0.000 0.478 160 S N 1.262 117.113 115.700 0.251 0.000 2.595 160 S HA 0.634 5.104 4.470 -0.000 0.000 0.281 160 S C -1.941 172.765 174.600 0.177 0.000 1.117 160 S CA -0.692 57.614 58.200 0.176 0.000 0.873 160 S CB 2.101 65.378 63.200 0.129 0.000 1.108 160 S HN 0.514 nan 8.310 nan 0.000 0.477 161 L N 1.876 123.204 121.223 0.174 0.000 2.313 161 L HA 0.723 5.063 4.340 -0.000 0.000 0.283 161 L C -0.724 176.262 176.870 0.193 0.000 1.013 161 L CA 0.192 55.129 54.840 0.161 0.000 0.816 161 L CB 1.594 43.695 42.059 0.071 0.000 1.236 161 L HN 0.561 nan 8.230 nan 0.000 0.419 162 S N 3.708 119.494 115.700 0.144 0.000 2.454 162 S HA 0.823 5.293 4.470 -0.000 0.000 0.306 162 S C -0.974 173.652 174.600 0.043 0.000 1.100 162 S CA -0.542 57.677 58.200 0.033 0.000 1.087 162 S CB 1.573 64.783 63.200 0.016 0.000 1.019 162 S HN 0.450 nan 8.310 nan 0.000 0.480 163 V N 3.427 123.334 119.914 -0.011 0.000 2.577 163 V HA 0.480 4.600 4.120 -0.000 0.000 0.303 163 V C -0.040 176.051 176.094 -0.005 0.000 1.042 163 V CA -1.044 61.288 62.300 0.054 0.000 0.872 163 V CB 1.704 33.584 31.823 0.096 0.000 0.998 163 V HN 0.814 nan 8.190 nan 0.000 0.423 164 R N 2.476 122.988 120.500 0.021 0.000 2.370 164 R HA 0.391 4.731 4.340 -0.000 0.000 0.309 164 R C -0.757 175.570 176.300 0.044 0.000 1.059 164 R CA 0.141 56.249 56.100 0.013 0.000 0.981 164 R CB 0.433 30.743 30.300 0.017 0.000 0.972 164 R HN 0.872 nan 8.270 nan 0.000 0.437 165 D N 2.271 122.698 120.400 0.046 0.000 2.450 165 D HA 0.297 4.936 4.640 -0.000 0.000 0.238 165 D C -1.912 174.473 176.300 0.141 0.000 1.020 165 D CA -0.417 53.630 54.000 0.078 0.000 1.010 165 D CB 0.991 41.818 40.800 0.045 0.000 1.342 165 D HN 0.460 nan 8.370 nan 0.000 0.530 166 Y N 0.707 121.007 120.300 -0.001 0.000 2.401 166 Y HA 0.366 4.916 4.550 -0.000 0.000 0.330 166 Y C -1.711 174.189 175.900 -0.000 0.000 1.071 166 Y CA -0.669 57.428 58.100 -0.004 0.000 1.049 166 Y CB 1.483 39.942 38.460 -0.002 0.000 1.239 166 Y HN 0.209 nan 8.280 nan 0.000 0.437 167 D N 7.184 127.258 120.400 -0.543 0.000 2.457 167 D HA 0.293 4.933 4.640 -0.000 0.000 0.240 167 D C -2.291 173.536 176.300 -0.789 0.000 1.041 167 D CA -1.861 51.861 54.000 -0.463 0.000 0.861 167 D CB 2.230 42.894 40.800 -0.227 0.000 1.394 167 D HN 0.312 nan 8.370 nan 0.000 0.473 168 P HA 0.043 nan 4.420 nan 0.000 0.233 168 P C 1.000 178.178 177.300 -0.203 0.000 1.167 168 P CA 0.622 63.542 63.100 -0.300 0.000 0.770 168 P CB 0.472 32.139 31.700 -0.055 0.000 0.837 169 R N -0.999 119.386 120.500 -0.192 0.000 2.362 169 R HA 0.192 4.532 4.340 -0.000 0.000 0.227 169 R C 1.778 178.006 176.300 -0.119 0.000 0.905 169 R CA 0.647 56.678 56.100 -0.116 0.000 1.067 169 R CB -0.084 30.169 30.300 -0.078 0.000 1.078 169 R HN -0.098 nan 8.270 nan 0.000 0.516 170 Q N -1.411 118.280 119.800 -0.181 0.000 2.215 170 Q HA 0.289 4.629 4.340 -0.000 0.000 0.257 170 Q C 0.374 176.277 176.000 -0.163 0.000 0.792 170 Q CA 0.715 56.432 55.803 -0.142 0.000 0.958 170 Q CB 1.548 30.216 28.738 -0.116 0.000 1.158 170 Q HN 0.288 nan 8.270 nan 0.000 0.490 171 G N 1.372 109.986 108.800 -0.310 0.000 2.481 171 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.230 171 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.230 171 G C -0.795 174.065 174.900 -0.068 0.000 1.210 171 G CA -0.199 44.786 45.100 -0.191 0.000 0.936 171 G HN 0.229 nan 8.290 nan 0.000 0.583 172 D N 2.298 122.810 120.400 0.188 0.000 2.348 172 D HA 0.515 5.155 4.640 -0.000 0.000 0.253 172 D C 0.931 177.253 176.300 0.037 0.000 1.161 172 D CA 1.307 55.410 54.000 0.171 0.000 0.876 172 D CB 1.101 41.982 40.800 0.136 0.000 1.160 172 D HN 0.820 nan 8.370 nan 0.000 0.459 173 T N -1.864 112.703 114.554 0.020 0.000 2.831 173 T HA 0.604 4.954 4.350 -0.000 0.000 0.287 173 T C -0.391 174.290 174.700 -0.031 0.000 1.070 173 T CA -0.821 61.270 62.100 -0.016 0.000 1.010 173 T CB 1.354 70.202 68.868 -0.034 0.000 1.264 173 T HN 0.015 nan 8.240 nan 0.000 0.532 174 V N 1.913 121.787 119.914 -0.068 0.000 2.448 174 V HA 0.569 4.689 4.120 -0.000 0.000 0.295 174 V C -0.484 175.438 176.094 -0.287 0.000 1.025 174 V CA -0.911 61.285 62.300 -0.173 0.000 0.859 174 V CB 1.702 33.407 31.823 -0.198 0.000 0.988 174 V HN 0.771 nan 8.190 nan 0.000 0.431 175 K N 3.457 123.674 120.400 -0.306 0.000 2.118 175 K HA 0.619 4.939 4.320 -0.000 0.000 0.254 175 K C -0.711 175.553 176.600 -0.559 0.000 0.961 175 K CA -0.595 55.485 56.287 -0.345 0.000 0.876 175 K CB 1.417 33.805 32.500 -0.187 0.000 1.077 175 K HN 0.712 nan 8.250 nan 0.000 0.440 176 H N 1.458 120.362 119.070 -0.277 0.000 2.600 176 H HA 0.354 4.910 4.556 -0.000 0.000 0.357 176 H C -0.877 174.220 175.328 -0.385 0.000 1.106 176 H CA -0.521 55.419 56.048 -0.180 0.000 1.193 176 H CB 1.350 31.051 29.762 -0.102 0.000 1.594 176 H HN 0.428 nan 8.280 nan 0.000 0.526 177 Y N 0.704 121.048 120.300 0.073 0.000 2.462 177 Y HA 0.227 4.777 4.550 -0.000 0.000 0.346 177 Y C 0.270 176.190 175.900 0.032 0.000 0.976 177 Y CA -0.984 57.130 58.100 0.023 0.000 1.044 177 Y CB 1.819 40.248 38.460 -0.051 0.000 1.230 177 Y HN 0.379 nan 8.280 nan 0.000 0.455 178 K N 2.769 123.266 120.400 0.162 0.000 2.276 178 K HA 0.462 4.781 4.320 -0.000 0.000 0.283 178 K C -1.114 175.540 176.600 0.089 0.000 1.044 178 K CA 0.106 56.454 56.287 0.102 0.000 0.944 178 K CB 0.255 32.791 32.500 0.060 0.000 1.012 178 K HN 0.549 nan 8.250 nan 0.000 0.472 179 I N 5.430 126.057 120.570 0.094 0.000 2.331 179 I HA 0.322 4.492 4.170 -0.000 0.000 0.292 179 I C 0.314 176.455 176.117 0.040 0.000 0.998 179 I CA -0.766 60.582 61.300 0.080 0.000 1.267 179 I CB 1.039 39.129 38.000 0.149 0.000 1.386 179 I HN 0.341 nan 8.210 nan 0.000 0.476 180 R N 3.682 124.072 120.500 -0.184 0.000 2.474 180 R HA 0.615 4.954 4.340 -0.000 0.000 0.295 180 R C -0.390 175.839 176.300 -0.119 0.000 0.980 180 R CA -0.629 55.300 56.100 -0.283 0.000 0.934 180 R CB 1.791 31.627 30.300 -0.773 0.000 1.101 180 R HN 0.572 nan 8.270 nan 0.000 0.469 181 T N 1.947 116.509 114.554 0.014 0.000 2.971 181 T HA 0.328 4.678 4.350 -0.000 0.000 0.304 181 T C -0.241 174.469 174.700 0.017 0.000 1.038 181 T CA -0.644 61.467 62.100 0.018 0.000 1.007 181 T CB 1.240 70.165 68.868 0.094 0.000 1.055 181 T HN 0.454 nan 8.240 nan 0.000 0.451 182 L N 4.463 125.694 121.223 0.014 0.000 2.437 182 L HA 0.669 5.009 4.340 -0.000 0.000 0.199 182 L C 0.954 177.817 176.870 -0.010 0.000 1.270 182 L CA 1.040 55.893 54.840 0.022 0.000 2.819 182 L CB -0.102 41.983 42.059 0.042 0.000 2.667 182 L HN 0.814 nan 8.230 nan 0.000 1.109 183 D N -2.486 117.903 120.400 -0.019 0.000 3.519 183 D HA 0.118 4.758 4.640 -0.000 0.000 0.203 183 D C 0.915 177.178 176.300 -0.062 0.000 1.117 183 D CA 0.610 54.590 54.000 -0.034 0.000 1.295 183 D CB 0.437 41.229 40.800 -0.013 0.000 0.943 183 D HN 0.568 nan 8.370 nan 0.000 0.220 184 N N -0.904 117.771 118.700 -0.041 0.000 2.806 184 N HA -0.265 4.475 4.740 -0.000 0.000 0.227 184 N C 0.568 176.042 175.510 -0.061 0.000 0.807 184 N CA 3.234 56.258 53.050 -0.043 0.000 1.400 184 N CB -1.235 37.228 38.487 -0.038 0.000 0.942 184 N HN 0.901 nan 8.380 nan 0.000 0.607 185 G N -1.580 107.151 108.800 -0.115 0.000 2.392 185 G HA2 0.321 4.280 3.960 -0.000 0.000 0.215 185 G HA3 0.321 4.280 3.960 -0.000 0.000 0.215 185 G C 0.091 174.839 174.900 -0.253 0.000 1.097 185 G CA 0.496 45.504 45.100 -0.153 0.000 0.840 185 G HN 1.244 nan 8.290 nan 0.000 0.492 186 G N -0.914 107.636 108.800 -0.417 0.000 2.638 186 G HA2 0.819 4.779 3.960 -0.000 0.000 0.302 186 G HA3 0.819 4.779 3.960 -0.000 0.000 0.302 186 G C -1.024 173.587 174.900 -0.481 0.000 1.365 186 G CA -0.981 43.932 45.100 -0.311 0.000 0.987 186 G HN 0.471 nan 8.290 nan 0.000 0.495 187 F N 0.721 120.794 119.950 0.205 0.000 2.565 187 F HA 0.695 5.222 4.527 0.000 0.000 0.313 187 F C -0.351 175.640 175.800 0.319 0.000 1.091 187 F CA -0.971 57.153 58.000 0.207 0.000 0.915 187 F CB 2.416 41.529 39.000 0.189 0.000 1.208 187 F HN 0.662 nan 8.300 nan 0.000 0.453 188 Y N 0.133 120.644 120.300 0.351 0.000 2.544 188 Y HA 0.729 5.279 4.550 -0.000 0.000 0.342 188 Y C -0.893 175.146 175.900 0.231 0.000 1.062 188 Y CA -1.214 57.043 58.100 0.261 0.000 1.023 188 Y CB 1.025 39.546 38.460 0.100 0.000 1.308 188 Y HN 0.492 nan 8.280 nan 0.000 0.457 189 I N 0.892 121.672 120.570 0.349 0.000 2.899 189 I HA 0.067 4.237 4.170 -0.000 0.000 0.257 189 I C 0.743 177.065 176.117 0.342 0.000 1.115 189 I CA 0.364 61.789 61.300 0.208 0.000 1.451 189 I CB 0.389 38.407 38.000 0.031 0.000 1.251 189 I HN 0.639 nan 8.210 nan 0.000 0.456 190 S N 2.154 118.064 115.700 0.349 0.000 2.438 190 S HA 0.253 4.723 4.470 -0.000 0.000 0.293 190 S C -1.588 173.124 174.600 0.186 0.000 1.141 190 S CA -1.762 56.593 58.200 0.259 0.000 1.080 190 S CB 0.848 64.153 63.200 0.173 0.000 0.978 190 S HN -0.069 nan 8.310 nan 0.000 0.479 191 P HA -0.214 nan 4.420 nan 0.000 0.219 191 P C 1.166 178.246 177.300 -0.367 0.000 1.145 191 P CA 1.172 63.990 63.100 -0.470 0.000 0.813 191 P CB -0.097 31.461 31.700 -0.238 0.000 0.771 192 R N -0.976 119.423 120.500 -0.168 0.000 2.161 192 R HA 0.122 4.462 4.340 -0.000 0.000 0.213 192 R C 0.255 176.444 176.300 -0.184 0.000 1.055 192 R CA 0.633 56.644 56.100 -0.147 0.000 0.996 192 R CB -0.183 30.071 30.300 -0.076 0.000 0.901 192 R HN -0.051 nan 8.270 nan 0.000 0.456 193 S N 0.629 116.217 115.700 -0.186 0.000 2.530 193 S HA 0.299 4.768 4.470 -0.000 0.000 0.322 193 S C -0.978 173.335 174.600 -0.478 0.000 1.085 193 S CA -0.530 57.457 58.200 -0.356 0.000 1.096 193 S CB 2.034 65.044 63.200 -0.317 0.000 0.988 193 S HN 0.226 nan 8.310 nan 0.000 0.466 194 T N 3.049 117.192 114.554 -0.684 0.000 2.887 194 T HA 0.787 5.137 4.350 -0.000 0.000 0.288 194 T C -1.505 172.722 174.700 -0.788 0.000 1.021 194 T CA -0.431 61.380 62.100 -0.483 0.000 1.000 194 T CB 0.388 69.134 68.868 -0.203 0.000 1.034 194 T HN 0.374 nan 8.240 nan 0.000 0.467 195 F N 1.243 121.257 119.950 0.106 0.000 2.578 195 F HA 0.348 4.875 4.527 -0.000 0.000 0.311 195 F C 1.568 177.451 175.800 0.138 0.000 1.094 195 F CA -0.953 57.107 58.000 0.100 0.000 0.923 195 F CB 2.042 41.104 39.000 0.104 0.000 1.230 195 F HN 0.619 nan 8.300 nan 0.000 0.450 196 S N -0.352 115.511 115.700 0.272 0.000 2.371 196 S HA -0.020 4.450 4.470 -0.000 0.000 0.224 196 S C 0.758 175.535 174.600 0.295 0.000 1.029 196 S CA 1.102 59.414 58.200 0.187 0.000 0.978 196 S CB -0.512 62.760 63.200 0.119 0.000 0.833 196 S HN 0.771 nan 8.310 nan 0.000 0.466 197 T N -1.681 113.074 114.554 0.334 0.000 2.924 197 T HA 0.628 4.978 4.350 -0.000 0.000 0.291 197 T C 0.934 175.755 174.700 0.203 0.000 1.045 197 T CA -0.902 61.403 62.100 0.341 0.000 1.015 197 T CB 1.280 70.265 68.868 0.195 0.000 1.103 197 T HN 0.084 nan 8.240 nan 0.000 0.496 198 L N 0.539 121.733 121.223 -0.049 0.000 2.079 198 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 198 L C 3.021 179.593 176.870 -0.497 0.000 1.081 198 L CA 1.557 56.164 54.840 -0.389 0.000 0.752 198 L CB -0.572 41.197 42.059 -0.484 0.000 0.896 198 L HN 0.765 nan 8.230 nan 0.000 0.433 199 Q N 0.608 120.250 119.800 -0.263 0.000 2.096 199 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 199 Q C 1.973 177.811 176.000 -0.270 0.000 0.982 199 Q CA 1.833 57.487 55.803 -0.249 0.000 0.850 199 Q CB -0.052 28.765 28.738 0.133 0.000 0.901 199 Q HN 0.480 nan 8.270 nan 0.000 0.422 200 E N -0.135 119.967 120.200 -0.164 0.000 2.077 200 E HA -0.178 4.171 4.350 -0.000 0.000 0.193 200 E C 2.078 178.298 176.600 -0.633 0.000 0.989 200 E CA 1.020 57.306 56.400 -0.190 0.000 0.800 200 E CB -0.270 29.470 29.700 0.066 0.000 0.746 200 E HN 0.387 nan 8.360 nan 0.000 0.452 201 L N 1.033 121.805 121.223 -0.751 0.000 1.971 201 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 201 L C 2.618 179.108 176.870 -0.633 0.000 1.072 201 L CA 1.575 55.797 54.840 -1.030 0.000 0.758 201 L CB -0.348 41.454 42.059 -0.429 0.000 0.889 201 L HN 0.128 nan 8.230 nan 0.000 0.433 202 V N -1.271 118.290 119.914 -0.588 0.000 2.515 202 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 202 V C 1.808 177.653 176.094 -0.415 0.000 1.058 202 V CA 2.473 64.433 62.300 -0.567 0.000 1.064 202 V CB -0.528 30.813 31.823 -0.804 0.000 0.675 202 V HN 0.571 nan 8.190 nan 0.000 0.461 203 D N -0.731 119.458 120.400 -0.352 0.000 2.144 203 D HA -0.154 4.485 4.640 -0.000 0.000 0.200 203 D C 1.965 178.136 176.300 -0.215 0.000 0.978 203 D CA 1.683 55.551 54.000 -0.220 0.000 0.833 203 D CB -0.205 40.509 40.800 -0.144 0.000 0.961 203 D HN 0.839 nan 8.370 nan 0.000 0.470 204 H N -1.087 117.737 119.070 -0.410 0.000 2.293 204 H HA -0.162 4.394 4.556 -0.000 0.000 0.300 204 H C 1.272 176.338 175.328 -0.436 0.000 1.082 204 H CA 1.584 57.378 56.048 -0.423 0.000 1.308 204 H CB -0.124 29.288 29.762 -0.583 0.000 1.375 204 H HN 0.191 nan 8.280 nan 0.000 0.495 205 Y N 0.672 120.895 120.300 -0.129 0.000 2.616 205 Y HA -0.017 4.533 4.550 -0.000 0.000 0.296 205 Y C 2.111 177.860 175.900 -0.251 0.000 1.154 205 Y CA 0.730 58.729 58.100 -0.168 0.000 1.325 205 Y CB 0.042 38.357 38.460 -0.242 0.000 1.007 205 Y HN 0.236 nan 8.280 nan 0.000 0.542 206 K N -0.005 120.295 120.400 -0.167 0.000 2.186 206 K HA -0.062 4.258 4.320 -0.000 0.000 0.202 206 K C 1.809 178.337 176.600 -0.120 0.000 1.052 206 K CA 0.671 56.875 56.287 -0.139 0.000 0.965 206 K CB -0.002 32.427 32.500 -0.118 0.000 0.746 206 K HN 0.156 nan 8.250 nan 0.000 0.457 207 K N 0.263 120.556 120.400 -0.179 0.000 2.360 207 K HA -0.035 4.285 4.320 -0.000 0.000 0.201 207 K C 0.420 176.927 176.600 -0.154 0.000 1.046 207 K CA 0.693 56.873 56.287 -0.178 0.000 0.945 207 K CB 0.235 32.582 32.500 -0.255 0.000 0.750 207 K HN 0.275 nan 8.250 nan 0.000 0.464 208 G N 1.340 110.053 108.800 -0.145 0.000 2.343 208 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.298 208 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.298 208 G C -1.490 173.388 174.900 -0.036 0.000 1.644 208 G CA -1.056 43.995 45.100 -0.082 0.000 0.958 208 G HN 0.225 nan 8.290 nan 0.000 0.702 209 N N 1.139 119.856 118.700 0.028 0.000 2.453 209 N HA 0.182 4.922 4.740 -0.000 0.000 0.253 209 N C -0.679 174.918 175.510 0.145 0.000 1.252 209 N CA -0.078 53.038 53.050 0.110 0.000 0.917 209 N CB 1.949 40.471 38.487 0.058 0.000 1.117 209 N HN 0.434 nan 8.380 nan 0.000 0.442 210 D N 1.268 121.838 120.400 0.283 0.000 2.929 210 D HA 0.122 4.762 4.640 -0.000 0.000 0.246 210 D C 1.668 178.057 176.300 0.148 0.000 1.237 210 D CA 0.168 54.310 54.000 0.237 0.000 1.171 210 D CB -0.661 40.356 40.800 0.362 0.000 0.933 210 D HN 0.741 nan 8.370 nan 0.000 0.216 211 G N 0.485 109.370 108.800 0.141 0.000 2.776 211 G HA2 0.090 4.050 3.960 -0.000 0.000 0.209 211 G HA3 0.090 4.050 3.960 -0.000 0.000 0.209 211 G C 0.955 175.888 174.900 0.055 0.000 1.145 211 G CA 0.053 45.209 45.100 0.093 0.000 0.791 211 G HN 0.094 nan 8.290 nan 0.000 0.530 212 L N 0.193 121.394 121.223 -0.038 0.000 2.476 212 L HA 0.042 4.382 4.340 -0.000 0.000 0.264 212 L C 2.326 179.218 176.870 0.036 0.000 1.224 212 L CA -0.594 54.147 54.840 -0.165 0.000 0.821 212 L CB 0.733 42.572 42.059 -0.367 0.000 1.101 212 L HN 0.308 nan 8.230 nan 0.000 0.488 213 C N -1.011 118.365 119.300 0.127 0.000 2.468 213 C HA 0.114 4.574 4.460 -0.000 0.000 0.277 213 C C 0.675 175.706 174.990 0.068 0.000 1.400 213 C CA 0.032 59.121 59.018 0.118 0.000 1.770 213 C CB -0.629 27.199 27.740 0.146 0.000 1.905 213 C HN 0.813 nan 8.230 nan 0.000 0.519 214 Q N 0.432 120.256 119.800 0.039 0.000 2.472 214 Q HA 0.425 4.764 4.340 -0.000 0.000 0.281 214 Q C -1.477 174.523 176.000 0.001 0.000 0.997 214 Q CA -0.340 55.481 55.803 0.030 0.000 0.828 214 Q CB 1.315 30.080 28.738 0.045 0.000 1.443 214 Q HN 0.603 nan 8.270 nan 0.000 0.390 215 K N 1.778 122.182 120.400 0.007 0.000 2.276 215 K HA 0.473 4.793 4.320 -0.000 0.000 0.283 215 K C -0.368 176.213 176.600 -0.030 0.000 1.044 215 K CA -0.514 55.767 56.287 -0.011 0.000 0.944 215 K CB 0.420 32.913 32.500 -0.013 0.000 1.012 215 K HN 0.493 nan 8.250 nan 0.000 0.472 216 L N 2.967 124.126 121.223 -0.107 0.000 2.559 216 L HA -0.111 4.229 4.340 -0.000 0.000 0.282 216 L C 1.151 178.023 176.870 0.002 0.000 1.232 216 L CA 0.098 54.837 54.840 -0.170 0.000 0.885 216 L CB 0.340 41.998 42.059 -0.669 0.000 1.131 216 L HN 1.087 nan 8.230 nan 0.000 0.498 217 S N 2.205 118.013 115.700 0.181 0.000 3.049 217 S HA 0.254 4.724 4.470 -0.000 0.000 0.182 217 S C 0.199 175.000 174.600 0.335 0.000 0.725 217 S CA -0.244 58.070 58.200 0.190 0.000 0.811 217 S CB 0.645 63.922 63.200 0.129 0.000 0.801 217 S HN 0.347 nan 8.310 nan 0.000 0.627 218 V N 3.640 123.743 119.914 0.314 0.000 2.789 218 V HA 0.579 4.699 4.120 -0.000 0.000 0.311 218 V C -2.905 173.120 176.094 -0.115 0.000 1.073 218 V CA -2.491 59.914 62.300 0.175 0.000 0.921 218 V CB 1.974 33.853 31.823 0.092 0.000 1.009 218 V HN 0.286 nan 8.190 nan 0.000 0.426 219 P HA 0.015 nan 4.420 nan 0.000 0.266 219 P C -0.263 176.916 177.300 -0.202 0.000 1.193 219 P CA -0.004 62.769 63.100 -0.545 0.000 0.770 219 P CB 0.163 31.760 31.700 -0.171 0.000 0.836 220 C N 5.352 124.510 119.300 -0.236 0.000 2.502 220 C HA -0.024 4.436 4.460 -0.000 0.000 0.404 220 C C 0.814 175.816 174.990 0.019 0.000 1.409 220 C CA -0.192 58.706 59.018 -0.201 0.000 1.648 220 C CB -1.428 25.965 27.740 -0.577 0.000 2.571 220 C HN 0.412 nan 8.230 nan 0.000 0.601 221 M N 6.244 125.846 119.600 0.003 0.000 2.303 221 M HA 0.091 4.571 4.480 -0.000 0.000 0.350 221 M C 0.691 177.057 176.300 0.110 0.000 1.518 221 M CA 0.860 56.193 55.300 0.055 0.000 1.070 221 M CB 0.314 32.929 32.600 0.025 0.000 1.910 221 M HN 0.942 nan 8.290 nan 0.000 0.458 222 S N 2.872 118.673 115.700 0.168 0.000 2.713 222 S HA 0.595 5.065 4.470 -0.000 0.000 0.283 222 S C -0.255 174.397 174.600 0.086 0.000 1.161 222 S CA -0.549 57.769 58.200 0.197 0.000 0.999 222 S CB 1.740 65.058 63.200 0.197 0.000 1.039 222 S HN 0.701 nan 8.310 nan 0.000 0.548 223 S N 0.293 116.015 115.700 0.036 0.000 2.549 223 S HA 0.422 4.892 4.470 -0.000 0.000 0.280 223 S C -1.131 173.352 174.600 -0.195 0.000 1.109 223 S CA -0.801 57.374 58.200 -0.041 0.000 0.905 223 S CB 1.135 64.316 63.200 -0.032 0.000 1.081 223 S HN 0.821 nan 8.310 nan 0.000 0.477 224 K N 3.113 123.359 120.400 -0.256 0.000 2.472 224 K HA 0.215 4.535 4.320 -0.000 0.000 0.280 224 K C -2.304 174.017 176.600 -0.466 0.000 1.028 224 K CA -0.912 55.052 56.287 -0.539 0.000 1.045 224 K CB 0.157 32.508 32.500 -0.249 0.000 0.902 224 K HN 0.284 nan 8.250 nan 0.000 0.478 225 P HA 0.004 nan 4.420 nan 0.000 0.274 225 P C -1.193 176.049 177.300 -0.096 0.000 1.231 225 P CA -0.428 62.449 63.100 -0.371 0.000 0.790 225 P CB 0.628 32.055 31.700 -0.456 0.000 0.951 226 Q N 1.860 121.660 119.800 -0.001 0.000 2.300 226 Q HA 0.032 4.372 4.340 -0.000 0.000 0.280 226 Q C 0.312 176.413 176.000 0.167 0.000 1.033 226 Q CA -0.239 55.624 55.803 0.101 0.000 0.903 226 Q CB 0.450 29.249 28.738 0.102 0.000 1.195 226 Q HN 0.281 nan 8.270 nan 0.000 0.386 227 K N 4.832 125.358 120.400 0.211 0.000 2.295 227 K HA 0.348 4.668 4.320 -0.000 0.000 0.270 227 K C -2.423 174.259 176.600 0.137 0.000 1.011 227 K CA -1.492 54.892 56.287 0.161 0.000 0.953 227 K CB 0.316 32.921 32.500 0.175 0.000 0.956 227 K HN 0.380 nan 8.250 nan 0.000 0.477 228 P HA -0.021 nan 4.420 nan 0.000 0.274 228 P C -0.187 177.341 177.300 0.379 0.000 1.231 228 P CA -0.616 62.552 63.100 0.112 0.000 0.790 228 P CB 0.530 32.122 31.700 -0.179 0.000 0.951 229 W N 2.714 124.118 121.300 0.173 0.000 2.209 229 W HA -0.010 4.650 4.660 -0.000 0.000 0.344 229 W C 0.550 177.242 176.519 0.288 0.000 1.285 229 W CA 0.122 57.515 57.345 0.080 0.000 1.267 229 W CB 0.428 29.878 29.460 -0.017 0.000 1.167 229 W HN 0.542 nan 8.180 nan 0.000 0.574 230 E N 4.205 124.072 120.200 -0.554 0.000 2.653 230 E HA -0.179 4.171 4.350 -0.000 0.000 0.264 230 E C 0.235 176.549 176.600 -0.477 0.000 0.949 230 E CA 0.383 56.294 56.400 -0.816 0.000 0.953 230 E CB 0.457 29.573 29.700 -0.974 0.000 0.925 230 E HN 0.291 nan 8.360 nan 0.000 0.475 231 K N 3.286 123.212 120.400 -0.790 0.000 2.550 231 K HA -0.156 4.164 4.320 -0.000 0.000 0.280 231 K C -0.520 175.940 176.600 -0.234 0.000 0.987 231 K CA 0.553 56.545 56.287 -0.491 0.000 1.048 231 K CB 0.239 32.254 32.500 -0.808 0.000 0.879 231 K HN 0.567 nan 8.250 nan 0.000 0.491 232 D N 1.203 121.577 120.400 -0.043 0.000 2.686 232 D HA -0.216 4.424 4.640 -0.000 0.000 0.235 232 D C -0.812 175.542 176.300 0.090 0.000 1.160 232 D CA 1.392 55.412 54.000 0.032 0.000 0.645 232 D CB -0.906 39.875 40.800 -0.031 0.000 1.039 232 D HN 0.584 nan 8.370 nan 0.000 0.423 233 A N -0.238 122.707 122.820 0.208 0.000 3.234 233 A HA 0.235 4.555 4.320 -0.000 0.000 0.247 233 A C 0.857 178.776 177.584 0.559 0.000 0.938 233 A CA -0.563 51.643 52.037 0.282 0.000 1.039 233 A CB -0.154 18.906 19.000 0.100 0.000 1.197 233 A HN 0.447 nan 8.150 nan 0.000 0.498 234 W N 1.039 122.480 121.300 0.235 0.000 2.480 234 W HA 0.100 4.760 4.660 -0.000 0.000 0.299 234 W C -0.373 176.224 176.519 0.130 0.000 1.187 234 W CA 0.977 58.420 57.345 0.165 0.000 1.347 234 W CB 0.292 29.813 29.460 0.101 0.000 1.121 234 W HN 0.463 nan 8.180 nan 0.000 0.533 235 E N 2.073 122.263 120.200 -0.017 0.000 2.081 235 E HA 0.229 4.579 4.350 -0.000 0.000 0.281 235 E C -0.274 176.335 176.600 0.016 0.000 0.986 235 E CA -0.338 55.984 56.400 -0.130 0.000 0.796 235 E CB 1.348 31.007 29.700 -0.067 0.000 1.085 235 E HN 0.174 nan 8.360 nan 0.000 0.398 236 I N -0.010 120.571 120.570 0.018 0.000 2.648 236 I HA 0.596 4.766 4.170 -0.000 0.000 0.304 236 I C -2.430 173.723 176.117 0.059 0.000 1.009 236 I CA -2.961 58.412 61.300 0.122 0.000 1.114 236 I CB 1.408 39.576 38.000 0.280 0.000 1.293 236 I HN 0.190 nan 8.210 nan 0.000 0.449 237 P HA 0.218 nan 4.420 nan 0.000 0.278 237 P C 0.031 177.340 177.300 0.014 0.000 1.238 237 P CA -0.389 62.718 63.100 0.012 0.000 0.794 237 P CB 1.394 33.099 31.700 0.008 0.000 0.955 238 R N 1.059 121.529 120.500 -0.050 0.000 2.139 238 R HA -0.191 4.148 4.340 -0.000 0.000 0.243 238 R C 1.444 177.738 176.300 -0.010 0.000 1.145 238 R CA 1.662 57.724 56.100 -0.064 0.000 0.976 238 R CB -0.110 30.082 30.300 -0.181 0.000 0.866 238 R HN 0.480 nan 8.270 nan 0.000 0.449 239 E N -0.329 119.858 120.200 -0.022 0.000 2.265 239 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 239 E C 1.742 178.324 176.600 -0.030 0.000 0.996 239 E CA 1.484 57.868 56.400 -0.027 0.000 0.832 239 E CB -0.032 29.648 29.700 -0.035 0.000 0.756 239 E HN 0.370 nan 8.360 nan 0.000 0.491 240 S N -0.519 115.177 115.700 -0.006 0.000 2.555 240 S HA 0.010 4.480 4.470 -0.000 0.000 0.230 240 S C 0.637 175.227 174.600 -0.017 0.000 0.978 240 S CA 0.092 58.252 58.200 -0.066 0.000 0.934 240 S CB -0.122 63.073 63.200 -0.008 0.000 0.766 240 S HN 0.056 nan 8.310 nan 0.000 0.533 241 L N 0.850 122.110 121.223 0.062 0.000 2.334 241 L HA 0.585 4.925 4.340 -0.000 0.000 0.273 241 L C -0.276 176.606 176.870 0.020 0.000 1.013 241 L CA -0.700 54.197 54.840 0.096 0.000 0.816 241 L CB 1.828 43.986 42.059 0.165 0.000 1.278 241 L HN -0.041 nan 8.230 nan 0.000 0.431 242 K N 3.879 124.285 120.400 0.010 0.000 2.579 242 K HA 0.479 4.799 4.320 -0.000 0.000 0.250 242 K C -1.343 175.248 176.600 -0.014 0.000 0.952 242 K CA -0.432 55.843 56.287 -0.021 0.000 0.857 242 K CB 1.657 34.141 32.500 -0.026 0.000 1.123 242 K HN 0.436 nan 8.250 nan 0.000 0.433 243 L N 3.952 125.122 121.223 -0.088 0.000 2.295 243 L HA 0.231 4.571 4.340 -0.000 0.000 0.288 243 L C 0.762 177.692 176.870 0.099 0.000 1.079 243 L CA -0.047 54.740 54.840 -0.089 0.000 0.830 243 L CB 0.424 42.131 42.059 -0.587 0.000 1.200 243 L HN 0.717 nan 8.230 nan 0.000 0.438 244 E N 1.614 121.951 120.200 0.228 0.000 2.251 244 E HA 0.040 4.390 4.350 -0.000 0.000 0.194 244 E C 0.027 176.793 176.600 0.276 0.000 0.964 244 E CA 0.430 56.949 56.400 0.199 0.000 0.868 244 E CB 0.578 30.329 29.700 0.085 0.000 0.828 244 E HN 0.281 nan 8.360 nan 0.000 0.481 245 K N 1.296 121.893 120.400 0.330 0.000 2.581 245 K HA 0.187 4.506 4.320 -0.000 0.000 0.249 245 K C -1.558 174.947 176.600 -0.158 0.000 0.966 245 K CA -0.485 55.858 56.287 0.095 0.000 0.811 245 K CB 1.607 34.129 32.500 0.036 0.000 1.223 245 K HN -0.207 nan 8.250 nan 0.000 0.438 246 K N 4.894 124.854 120.400 -0.734 0.000 2.349 246 K HA 0.178 4.498 4.320 -0.000 0.000 0.288 246 K C 0.182 176.466 176.600 -0.526 0.000 1.058 246 K CA 0.004 55.553 56.287 -1.231 0.000 0.953 246 K CB 0.395 32.032 32.500 -1.438 0.000 0.997 246 K HN 0.626 nan 8.250 nan 0.000 0.477 247 L N 2.668 123.665 121.223 -0.377 0.000 2.253 247 L HA 0.285 4.624 4.340 -0.000 0.000 0.205 247 L C 1.117 177.893 176.870 -0.156 0.000 1.078 247 L CA 0.199 54.942 54.840 -0.162 0.000 0.805 247 L CB 0.212 42.248 42.059 -0.040 0.000 0.963 247 L HN 0.796 nan 8.230 nan 0.000 0.459 248 G N -0.829 107.853 108.800 -0.196 0.000 2.673 248 G HA2 0.683 4.643 3.960 -0.000 0.000 0.292 248 G HA3 0.683 4.643 3.960 -0.000 0.000 0.292 248 G C -1.965 172.854 174.900 -0.135 0.000 1.450 248 G CA 0.136 45.157 45.100 -0.132 0.000 0.837 248 G HN 0.087 nan 8.290 nan 0.000 0.505 249 A N -0.972 121.795 122.820 -0.089 0.000 2.437 249 A HA 1.095 5.415 4.320 -0.000 0.000 0.292 249 A C 0.213 177.777 177.584 -0.033 0.000 1.173 249 A CA -0.110 51.893 52.037 -0.057 0.000 0.785 249 A CB 1.902 20.865 19.000 -0.062 0.000 1.351 249 A HN 2.461 nan 8.150 nan 0.000 0.431 250 G N -1.656 107.125 108.800 -0.032 0.000 2.349 250 G HA2 0.388 4.348 3.960 -0.000 0.000 0.294 250 G HA3 0.388 4.348 3.960 -0.000 0.000 0.294 250 G C 0.073 174.881 174.900 -0.153 0.000 1.380 250 G CA 0.215 45.276 45.100 -0.065 0.000 0.811 250 G HN 0.715 nan 8.290 nan 0.000 0.519 251 Q N -1.202 118.384 119.800 -0.356 0.000 2.197 251 Q HA -0.047 4.293 4.340 -0.000 0.000 0.207 251 Q C 0.978 176.568 176.000 -0.684 0.000 0.984 251 Q CA 1.815 57.214 55.803 -0.674 0.000 0.869 251 Q CB -0.160 27.858 28.738 -1.201 0.000 0.906 251 Q HN 0.495 nan 8.270 nan 0.000 0.426 252 F N -1.032 118.933 119.950 0.024 0.000 2.668 252 F HA 0.416 4.943 4.527 -0.000 0.000 0.301 252 F C 0.841 176.659 175.800 0.031 0.000 1.106 252 F CA 0.021 58.038 58.000 0.028 0.000 1.289 252 F CB 1.147 40.168 39.000 0.034 0.000 1.006 252 F HN 0.126 nan 8.300 nan 0.000 0.535 253 G N 0.533 109.400 108.800 0.111 0.000 2.306 253 G HA2 0.011 3.971 3.960 -0.000 0.000 0.262 253 G HA3 0.011 3.971 3.960 -0.000 0.000 0.262 253 G C -1.275 173.681 174.900 0.094 0.000 1.263 253 G CA -1.055 44.108 45.100 0.104 0.000 1.088 253 G HN 0.143 nan 8.290 nan 0.000 0.489 254 E N -1.692 118.582 120.200 0.124 0.000 2.393 254 E HA 0.631 4.980 4.350 -0.000 0.000 0.273 254 E C -1.051 175.633 176.600 0.140 0.000 0.918 254 E CA -0.919 55.552 56.400 0.119 0.000 0.773 254 E CB 2.988 32.834 29.700 0.243 0.000 1.275 254 E HN 0.475 nan 8.360 nan 0.000 0.451 255 V N 1.503 121.439 119.914 0.037 0.000 2.495 255 V HA 0.455 4.575 4.120 -0.000 0.000 0.298 255 V C -1.292 174.800 176.094 -0.003 0.000 1.031 255 V CA -0.709 61.637 62.300 0.076 0.000 0.871 255 V CB 0.848 32.691 31.823 0.034 0.000 0.988 255 V HN 0.589 nan 8.190 nan 0.000 0.432 256 W N 3.887 125.184 121.300 -0.005 0.000 2.915 256 W HA 0.608 5.268 4.660 -0.000 0.000 0.337 256 W C -0.055 176.512 176.519 0.080 0.000 1.102 256 W CA -0.815 56.538 57.345 0.013 0.000 1.224 256 W CB 1.816 31.247 29.460 -0.049 0.000 1.416 256 W HN 0.319 nan 8.180 nan 0.000 0.503 257 M N 3.622 123.407 119.600 0.308 0.000 2.188 257 M HA 0.562 5.042 4.480 -0.000 0.000 0.354 257 M C -0.584 175.815 176.300 0.164 0.000 1.342 257 M CA 0.490 55.915 55.300 0.208 0.000 1.117 257 M CB -0.071 32.550 32.600 0.036 0.000 1.670 257 M HN 0.621 nan 8.290 nan 0.000 0.466 258 A N 4.255 127.143 122.820 0.112 0.000 2.485 258 A HA 0.865 5.185 4.320 -0.000 0.000 0.292 258 A C -0.833 176.791 177.584 0.066 0.000 1.147 258 A CA -0.573 51.524 52.037 0.099 0.000 0.750 258 A CB 1.474 20.546 19.000 0.120 0.000 1.331 258 A HN 0.714 nan 8.150 nan 0.000 0.419 259 T N 0.757 115.350 114.554 0.064 0.000 2.824 259 T HA 0.490 4.840 4.350 -0.000 0.000 0.282 259 T C -1.558 173.202 174.700 0.100 0.000 0.993 259 T CA 0.042 62.176 62.100 0.057 0.000 0.967 259 T CB 0.767 69.626 68.868 -0.015 0.000 0.960 259 T HN 0.493 nan 8.240 nan 0.000 0.441 260 Y N 3.859 124.150 120.300 -0.015 0.000 2.335 260 Y HA 0.297 4.846 4.550 -0.000 0.000 0.339 260 Y C 0.704 176.375 175.900 -0.381 0.000 0.987 260 Y CA -0.928 57.140 58.100 -0.054 0.000 1.140 260 Y CB 0.345 38.904 38.460 0.165 0.000 1.173 260 Y HN 0.693 nan 8.280 nan 0.000 0.486 261 N N 5.410 123.622 118.700 -0.812 0.000 2.707 261 N HA -0.321 4.419 4.740 -0.000 0.000 0.253 261 N C 0.295 175.331 175.510 -0.790 0.000 0.998 261 N CA 1.655 54.187 53.050 -0.864 0.000 0.751 261 N CB -0.629 37.193 38.487 -1.108 0.000 0.920 261 N HN 0.974 nan 8.380 nan 0.000 0.539 262 K N -3.653 116.466 120.400 -0.469 0.000 3.571 262 K HA -0.314 4.006 4.320 -0.000 0.000 0.275 262 K C 1.074 177.549 176.600 -0.208 0.000 1.034 262 K CA 1.995 58.117 56.287 -0.275 0.000 1.116 262 K CB -1.193 31.191 32.500 -0.193 0.000 1.386 262 K HN 0.829 nan 8.250 nan 0.000 0.466 263 H N -1.361 117.643 119.070 -0.110 0.000 2.604 263 H HA 0.191 4.747 4.556 -0.000 0.000 0.273 263 H C 0.055 175.369 175.328 -0.024 0.000 0.971 263 H CA 0.511 56.499 56.048 -0.101 0.000 1.249 263 H CB 0.697 30.342 29.762 -0.194 0.000 1.449 263 H HN -0.023 nan 8.280 nan 0.000 0.512 264 T N 1.933 116.613 114.554 0.211 0.000 2.812 264 T HA 0.210 4.560 4.350 -0.000 0.000 0.282 264 T C -0.393 174.441 174.700 0.223 0.000 0.990 264 T CA -0.792 61.493 62.100 0.308 0.000 0.960 264 T CB 2.933 72.108 68.868 0.511 0.000 0.948 264 T HN 0.156 nan 8.240 nan 0.000 0.438 265 K N 3.215 123.711 120.400 0.160 0.000 2.379 265 K HA 0.460 4.780 4.320 -0.000 0.000 0.284 265 K C -0.068 176.660 176.600 0.214 0.000 1.044 265 K CA -0.323 56.017 56.287 0.088 0.000 0.974 265 K CB 0.241 32.720 32.500 -0.035 0.000 0.962 265 K HN 0.531 nan 8.250 nan 0.000 0.474 266 V N -0.077 119.964 119.914 0.212 0.000 3.141 266 V HA 0.853 4.973 4.120 -0.000 0.000 0.312 266 V C -0.839 175.455 176.094 0.333 0.000 1.157 266 V CA -1.241 61.242 62.300 0.304 0.000 1.041 266 V CB 1.604 33.603 31.823 0.292 0.000 1.071 266 V HN 0.764 nan 8.190 nan 0.000 0.441 267 A N 0.827 123.852 122.820 0.341 0.000 2.325 267 A HA 0.885 5.205 4.320 -0.000 0.000 0.333 267 A C -0.708 176.979 177.584 0.172 0.000 1.155 267 A CA -0.717 51.504 52.037 0.306 0.000 0.814 267 A CB 1.580 20.729 19.000 0.248 0.000 1.206 267 A HN 1.329 nan 8.150 nan 0.000 0.482 268 V N 2.317 122.323 119.914 0.153 0.000 2.444 268 V HA 0.385 4.505 4.120 -0.000 0.000 0.294 268 V C -0.040 176.082 176.094 0.047 0.000 1.022 268 V CA -0.612 61.720 62.300 0.052 0.000 0.850 268 V CB 1.599 33.387 31.823 -0.057 0.000 0.992 268 V HN 0.926 nan 8.190 nan 0.000 0.426 269 K N 3.406 123.819 120.400 0.020 0.000 2.263 269 K HA 0.533 4.853 4.320 -0.000 0.000 0.272 269 K C 0.005 176.596 176.600 -0.015 0.000 1.033 269 K CA -0.303 56.007 56.287 0.039 0.000 0.884 269 K CB 1.133 33.672 32.500 0.065 0.000 1.107 269 K HN 0.811 nan 8.250 nan 0.000 0.460 270 T N 2.830 117.363 114.554 -0.035 0.000 2.733 270 T HA 0.360 4.710 4.350 -0.000 0.000 0.294 270 T C 0.215 174.952 174.700 0.062 0.000 0.956 270 T CA -1.014 61.040 62.100 -0.076 0.000 0.987 270 T CB 0.594 69.335 68.868 -0.212 0.000 0.920 270 T HN 0.373 nan 8.240 nan 0.000 0.470 271 M N 3.746 123.386 119.600 0.066 0.000 2.084 271 M HA 0.330 4.810 4.480 -0.000 0.000 0.351 271 M C 0.443 176.754 176.300 0.018 0.000 1.240 271 M CA -0.702 54.604 55.300 0.011 0.000 1.083 271 M CB 0.775 33.267 32.600 -0.181 0.000 1.593 271 M HN 0.505 nan 8.290 nan 0.000 0.463 272 K N 4.038 124.476 120.400 0.063 0.000 2.491 272 K HA -0.010 4.310 4.320 -0.000 0.000 0.279 272 K C -1.516 175.097 176.600 0.022 0.000 1.026 272 K CA -0.728 55.592 56.287 0.055 0.000 1.070 272 K CB 0.197 32.743 32.500 0.077 0.000 0.887 272 K HN 0.368 nan 8.250 nan 0.000 0.481 273 P HA -0.202 nan 4.420 nan 0.000 0.216 273 P C 0.472 177.772 177.300 -0.000 0.000 1.167 273 P CA 1.222 64.314 63.100 -0.013 0.000 0.914 273 P CB -0.050 31.646 31.700 -0.006 0.000 0.793 274 G N -1.713 107.101 108.800 0.023 0.000 2.562 274 G HA2 0.292 4.252 3.960 -0.000 0.000 0.233 274 G HA3 0.292 4.252 3.960 -0.000 0.000 0.233 274 G C 0.278 175.211 174.900 0.054 0.000 1.266 274 G CA 0.763 45.886 45.100 0.037 0.000 0.852 274 G HN 0.286 nan 8.290 nan 0.000 0.581 275 S N -0.477 115.255 115.700 0.052 0.000 4.142 275 S HA -0.190 4.280 4.470 -0.000 0.000 0.628 275 S C 0.425 175.056 174.600 0.051 0.000 1.872 275 S CA 0.569 58.806 58.200 0.062 0.000 4.123 275 S CB -1.494 61.758 63.200 0.087 0.000 0.213 275 S HN 1.715 nan 8.310 nan 0.000 0.513 276 M N 2.312 121.953 119.600 0.068 0.000 2.224 276 M HA 0.518 4.997 4.480 -0.000 0.000 0.297 276 M C 0.424 176.763 176.300 0.066 0.000 1.047 276 M CA 0.394 55.745 55.300 0.085 0.000 1.125 276 M CB -0.379 32.323 32.600 0.171 0.000 1.413 276 M HN 0.531 nan 8.290 nan 0.000 0.431 277 S N 0.429 116.172 115.700 0.071 0.000 2.565 277 S HA 0.427 4.897 4.470 -0.000 0.000 0.276 277 S C 1.160 175.812 174.600 0.087 0.000 1.326 277 S CA -0.545 57.690 58.200 0.059 0.000 1.045 277 S CB 0.547 63.776 63.200 0.049 0.000 0.918 277 S HN 0.758 nan 8.310 nan 0.000 0.505 278 V N 3.663 123.610 119.914 0.055 0.000 2.261 278 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 278 V C 2.378 178.537 176.094 0.107 0.000 1.047 278 V CA 1.991 64.326 62.300 0.058 0.000 1.015 278 V CB -1.649 30.177 31.823 0.006 0.000 0.642 278 V HN 1.009 nan 8.190 nan 0.000 0.446 279 E N 2.373 122.618 120.200 0.075 0.000 2.160 279 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 279 E C 2.108 178.761 176.600 0.087 0.000 0.991 279 E CA 1.693 58.138 56.400 0.076 0.000 0.810 279 E CB -0.547 29.183 29.700 0.051 0.000 0.742 279 E HN 0.622 nan 8.360 nan 0.000 0.466 280 A N 0.828 123.700 122.820 0.087 0.000 1.930 280 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 280 A C 1.964 179.596 177.584 0.080 0.000 1.175 280 A CA 1.088 53.166 52.037 0.069 0.000 0.627 280 A CB -0.834 18.202 19.000 0.059 0.000 0.815 280 A HN 0.409 nan 8.150 nan 0.000 0.443 281 F N -0.004 119.944 119.950 -0.003 0.000 2.102 281 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 281 F C 1.949 177.755 175.800 0.010 0.000 1.105 281 F CA 1.762 59.758 58.000 -0.007 0.000 1.239 281 F CB -0.174 38.820 39.000 -0.011 0.000 0.991 281 F HN 0.241 nan 8.300 nan 0.000 0.474 282 L N 0.753 122.118 121.223 0.238 0.000 2.046 282 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 282 L C 2.396 179.332 176.870 0.111 0.000 1.077 282 L CA 2.105 57.054 54.840 0.180 0.000 0.747 282 L CB -1.449 40.706 42.059 0.159 0.000 0.896 282 L HN 0.134 nan 8.230 nan 0.000 0.432 283 A N -0.773 122.085 122.820 0.063 0.000 1.908 283 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 283 A C 2.273 179.844 177.584 -0.022 0.000 1.181 283 A CA 1.954 54.008 52.037 0.029 0.000 0.627 283 A CB -0.735 18.276 19.000 0.018 0.000 0.818 283 A HN 0.575 nan 8.150 nan 0.000 0.445 284 E N -0.125 120.019 120.200 -0.092 0.000 2.046 284 E HA 0.032 4.381 4.350 -0.000 0.000 0.190 284 E C 2.112 178.602 176.600 -0.183 0.000 0.982 284 E CA 1.449 57.745 56.400 -0.174 0.000 0.800 284 E CB -0.530 29.004 29.700 -0.277 0.000 0.756 284 E HN 0.441 nan 8.360 nan 0.000 0.449 285 A N 0.673 123.386 122.820 -0.179 0.000 1.948 285 A HA -0.314 4.006 4.320 -0.000 0.000 0.220 285 A C 2.012 179.679 177.584 0.139 0.000 1.177 285 A CA 2.124 54.151 52.037 -0.016 0.000 0.636 285 A CB -1.067 17.995 19.000 0.104 0.000 0.815 285 A HN 0.429 nan 8.150 nan 0.000 0.449 286 N N -0.470 118.309 118.700 0.131 0.000 2.058 286 N HA -0.128 4.612 4.740 -0.000 0.000 0.191 286 N C 1.624 177.060 175.510 -0.123 0.000 1.037 286 N CA 1.433 54.489 53.050 0.010 0.000 0.848 286 N CB -0.265 38.250 38.487 0.047 0.000 1.021 286 N HN 0.261 nan 8.380 nan 0.000 0.422 287 V N 1.467 121.325 119.914 -0.093 0.000 2.282 287 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 287 V C 2.273 178.261 176.094 -0.177 0.000 1.057 287 V CA 1.446 63.680 62.300 -0.110 0.000 1.032 287 V CB -0.369 31.407 31.823 -0.079 0.000 0.645 287 V HN 0.407 nan 8.190 nan 0.000 0.447 288 M N -0.467 118.997 119.600 -0.226 0.000 2.229 288 M HA -0.098 4.382 4.480 -0.000 0.000 0.264 288 M C 2.138 178.336 176.300 -0.171 0.000 1.063 288 M CA 1.443 56.576 55.300 -0.278 0.000 1.114 288 M CB -1.177 31.212 32.600 -0.351 0.000 1.387 288 M HN 0.284 nan 8.290 nan 0.000 0.420 289 K N 0.931 121.211 120.400 -0.200 0.000 2.152 289 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 289 K C 1.861 178.328 176.600 -0.222 0.000 1.048 289 K CA 2.078 58.181 56.287 -0.308 0.000 0.933 289 K CB -0.672 31.347 32.500 -0.802 0.000 0.721 289 K HN 0.492 nan 8.250 nan 0.000 0.447 290 T N -1.411 113.042 114.554 -0.168 0.000 2.857 290 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 290 T C 1.247 175.958 174.700 0.018 0.000 1.048 290 T CA 0.832 62.884 62.100 -0.080 0.000 1.139 290 T CB -0.345 68.490 68.868 -0.055 0.000 0.874 290 T HN 0.166 nan 8.240 nan 0.000 0.455 291 L N 2.007 123.258 121.223 0.046 0.000 2.919 291 L HA 0.260 4.600 4.340 -0.000 0.000 0.242 291 L C 0.316 177.340 176.870 0.256 0.000 1.366 291 L CA -0.401 54.586 54.840 0.246 0.000 1.212 291 L CB -0.856 41.341 42.059 0.231 0.000 1.604 291 L HN 0.288 nan 8.230 nan 0.000 0.433 292 Q N 0.653 120.507 119.800 0.090 0.000 2.364 292 Q HA 0.194 4.533 4.340 -0.000 0.000 0.267 292 Q C -0.226 175.660 176.000 -0.190 0.000 0.999 292 Q CA 0.523 56.310 55.803 -0.026 0.000 0.886 292 Q CB 0.905 29.612 28.738 -0.052 0.000 1.243 292 Q HN 0.238 nan 8.270 nan 0.000 0.415 293 H N 1.280 120.118 119.070 -0.385 0.000 3.079 293 H HA 0.051 4.607 4.556 -0.000 0.000 0.356 293 H C -0.420 174.716 175.328 -0.319 0.000 1.221 293 H CA -0.460 55.235 56.048 -0.589 0.000 1.185 293 H CB 1.730 30.785 29.762 -1.178 0.000 1.882 293 H HN 0.659 nan 8.280 nan 0.000 0.543 294 D N 1.828 121.965 120.400 -0.438 0.000 2.228 294 D HA -0.118 4.522 4.640 -0.000 0.000 0.203 294 D C 0.943 177.243 176.300 0.000 0.000 0.988 294 D CA 1.080 54.972 54.000 -0.180 0.000 0.864 294 D CB 0.494 41.161 40.800 -0.223 0.000 0.928 294 D HN 0.325 nan 8.370 nan 0.000 0.469 295 K N -0.080 120.448 120.400 0.214 0.000 2.372 295 K HA 0.214 4.534 4.320 -0.000 0.000 0.200 295 K C 0.315 176.913 176.600 -0.002 0.000 1.022 295 K CA -0.053 56.283 56.287 0.082 0.000 1.125 295 K CB 0.930 33.466 32.500 0.059 0.000 0.855 295 K HN 0.187 nan 8.250 nan 0.000 0.524 296 L N 0.909 122.134 121.223 0.003 0.000 2.341 296 L HA 0.333 4.673 4.340 -0.000 0.000 0.278 296 L C 0.294 177.155 176.870 -0.016 0.000 1.005 296 L CA -1.096 53.743 54.840 -0.002 0.000 0.818 296 L CB 2.196 44.275 42.059 0.034 0.000 1.259 296 L HN -0.296 nan 8.230 nan 0.000 0.418 297 V N 4.080 123.983 119.914 -0.019 0.000 2.681 297 V HA -0.086 4.034 4.120 -0.000 0.000 0.306 297 V C 0.637 176.675 176.094 -0.093 0.000 1.077 297 V CA 0.328 62.595 62.300 -0.055 0.000 1.224 297 V CB 0.509 32.303 31.823 -0.048 0.000 0.879 297 V HN 0.597 nan 8.190 nan 0.000 0.494 298 K N 5.994 126.300 120.400 -0.157 0.000 2.363 298 K HA 0.127 4.447 4.320 -0.000 0.000 0.289 298 K C -0.510 175.833 176.600 -0.427 0.000 1.063 298 K CA -0.196 55.925 56.287 -0.277 0.000 0.967 298 K CB 0.374 32.679 32.500 -0.326 0.000 0.987 298 K HN 0.634 nan 8.250 nan 0.000 0.473 299 L N 6.391 127.456 121.223 -0.263 0.000 2.315 299 L HA 0.127 4.467 4.340 -0.000 0.000 0.283 299 L C 0.932 177.694 176.870 -0.179 0.000 1.089 299 L CA 0.544 55.280 54.840 -0.173 0.000 0.833 299 L CB 0.365 42.422 42.059 -0.003 0.000 1.170 299 L HN 0.601 nan 8.230 nan 0.000 0.442 300 H N 4.386 123.323 119.070 -0.222 0.000 2.422 300 H HA 0.559 5.115 4.556 -0.000 0.000 0.303 300 H C 0.188 175.199 175.328 -0.528 0.000 1.033 300 H CA 0.688 56.358 56.048 -0.631 0.000 1.335 300 H CB 0.553 29.427 29.762 -1.480 0.000 1.458 300 H HN 0.654 nan 8.280 nan 0.000 0.556 301 A N 0.223 122.797 122.820 -0.409 0.000 2.602 301 A HA 0.567 4.887 4.320 -0.000 0.000 0.290 301 A C -1.499 175.711 177.584 -0.624 0.000 1.114 301 A CA -0.332 51.390 52.037 -0.524 0.000 0.683 301 A CB 1.720 20.530 19.000 -0.317 0.000 1.281 301 A HN 0.025 nan 8.150 nan 0.000 0.416 302 V N 0.268 119.745 119.914 -0.729 0.000 2.841 302 V HA 0.656 4.776 4.120 -0.000 0.000 0.310 302 V C -1.356 174.566 176.094 -0.287 0.000 1.090 302 V CA -0.495 61.503 62.300 -0.504 0.000 0.930 302 V CB 2.085 33.505 31.823 -0.672 0.000 1.014 302 V HN 0.963 nan 8.190 nan 0.000 0.425 303 V N 5.931 125.754 119.914 -0.152 0.000 2.350 303 V HA 0.305 4.424 4.120 -0.000 0.000 0.276 303 V C 1.338 177.333 176.094 -0.165 0.000 1.028 303 V CA 0.493 62.700 62.300 -0.155 0.000 0.860 303 V CB 1.161 32.860 31.823 -0.206 0.000 0.990 303 V HN 1.086 nan 8.190 nan 0.000 0.453 304 T N 1.454 115.922 114.554 -0.142 0.000 3.014 304 T HA 0.056 4.406 4.350 -0.000 0.000 0.263 304 T C 0.827 175.457 174.700 -0.116 0.000 1.078 304 T CA 0.281 62.318 62.100 -0.105 0.000 1.135 304 T CB 0.006 68.836 68.868 -0.064 0.000 0.895 304 T HN 0.437 nan 8.240 nan 0.000 0.480 305 K N 2.360 122.676 120.400 -0.139 0.000 2.447 305 K HA 0.101 4.421 4.320 -0.000 0.000 0.281 305 K C 0.226 176.712 176.600 -0.189 0.000 1.031 305 K CA 0.082 56.281 56.287 -0.147 0.000 1.019 305 K CB 0.435 32.845 32.500 -0.151 0.000 0.918 305 K HN 0.400 nan 8.250 nan 0.000 0.476 306 E N 4.535 124.647 120.200 -0.146 0.000 2.338 306 E HA 0.087 4.437 4.350 -0.000 0.000 0.272 306 E C -1.992 174.522 176.600 -0.143 0.000 1.029 306 E CA -1.701 54.613 56.400 -0.143 0.000 0.872 306 E CB 0.677 30.316 29.700 -0.102 0.000 1.015 306 E HN 0.362 nan 8.360 nan 0.000 0.417 307 P HA 0.089 nan 4.420 nan 0.000 0.271 307 P C -0.166 177.048 177.300 -0.144 0.000 1.220 307 P CA -0.186 62.860 63.100 -0.090 0.000 0.768 307 P CB 0.429 32.151 31.700 0.037 0.000 0.848 308 I N 3.525 124.005 120.570 -0.149 0.000 2.683 308 I HA -0.053 4.116 4.170 -0.000 0.000 0.286 308 I C 0.390 176.596 176.117 0.148 0.000 1.175 308 I CA 0.463 61.669 61.300 -0.157 0.000 1.429 308 I CB -0.926 36.814 38.000 -0.433 0.000 1.371 308 I HN 0.312 nan 8.210 nan 0.000 0.569 309 Y N 6.178 126.402 120.300 -0.126 0.000 2.352 309 Y HA 0.499 5.048 4.550 -0.000 0.000 0.339 309 Y C 0.266 176.122 175.900 -0.074 0.000 0.992 309 Y CA -1.587 56.465 58.100 -0.081 0.000 1.100 309 Y CB 1.448 39.863 38.460 -0.074 0.000 1.192 309 Y HN 0.333 nan 8.280 nan 0.000 0.458 310 I N 4.719 125.353 120.570 0.106 0.000 2.412 310 I HA 0.373 4.543 4.170 -0.000 0.000 0.296 310 I C -0.771 175.346 176.117 0.000 0.000 0.987 310 I CA -0.434 60.888 61.300 0.038 0.000 1.180 310 I CB 1.190 39.242 38.000 0.087 0.000 1.340 310 I HN 0.313 nan 8.210 nan 0.000 0.455 311 I N 5.582 126.108 120.570 -0.073 0.000 2.410 311 I HA 0.371 4.541 4.170 -0.000 0.000 0.286 311 I C 0.352 176.387 176.117 -0.137 0.000 1.009 311 I CA -0.129 61.117 61.300 -0.090 0.000 1.111 311 I CB 1.688 39.596 38.000 -0.154 0.000 1.262 311 I HN 0.607 nan 8.210 nan 0.000 0.443 312 T N 1.476 115.993 114.554 -0.062 0.000 2.905 312 T HA 0.631 4.981 4.350 -0.000 0.000 0.283 312 T C -0.159 174.565 174.700 0.039 0.000 1.031 312 T CA -0.964 61.068 62.100 -0.114 0.000 1.002 312 T CB 1.199 70.014 68.868 -0.087 0.000 1.200 312 T HN 0.584 nan 8.240 nan 0.000 0.560 313 E N 0.386 120.570 120.200 -0.028 0.000 2.415 313 E HA 0.244 4.594 4.350 -0.000 0.000 0.262 313 E C -1.010 175.697 176.600 0.179 0.000 1.038 313 E CA -0.786 55.723 56.400 0.181 0.000 0.921 313 E CB 0.225 29.994 29.700 0.115 0.000 0.950 313 E HN 0.500 nan 8.360 nan 0.000 0.438 314 F N 2.916 122.933 119.950 0.110 0.000 2.427 314 F HA 0.192 4.718 4.527 -0.000 0.000 0.352 314 F C -0.243 175.584 175.800 0.045 0.000 1.100 314 F CA -0.595 57.450 58.000 0.075 0.000 1.191 314 F CB 0.806 39.861 39.000 0.091 0.000 1.128 314 F HN 0.378 nan 8.300 nan 0.000 0.533 315 M N 7.159 126.388 119.600 -0.618 0.000 2.047 315 M HA 0.272 4.752 4.480 -0.000 0.000 0.342 315 M C 0.970 176.915 176.300 -0.593 0.000 1.058 315 M CA -0.346 54.697 55.300 -0.428 0.000 0.991 315 M CB 0.727 33.146 32.600 -0.302 0.000 1.474 315 M HN 0.828 nan 8.290 nan 0.000 0.419 316 A N 3.798 126.455 122.820 -0.271 0.000 1.986 316 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 316 A C 1.611 179.136 177.584 -0.099 0.000 1.171 316 A CA 1.677 53.671 52.037 -0.072 0.000 0.640 316 A CB -0.127 18.928 19.000 0.091 0.000 0.811 316 A HN 0.765 nan 8.150 nan 0.000 0.451 317 K N -0.769 119.534 120.400 -0.160 0.000 2.493 317 K HA 0.346 4.666 4.320 -0.000 0.000 0.207 317 K C 1.118 177.655 176.600 -0.105 0.000 1.033 317 K CA 0.230 56.453 56.287 -0.107 0.000 1.161 317 K CB -0.049 32.334 32.500 -0.195 0.000 0.873 317 K HN 0.572 nan 8.250 nan 0.000 0.491 318 G N 1.733 110.426 108.800 -0.179 0.000 2.594 318 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.297 318 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.297 318 G C 0.007 174.837 174.900 -0.117 0.000 1.273 318 G CA 0.230 45.239 45.100 -0.150 0.000 0.974 318 G HN 0.450 nan 8.290 nan 0.000 0.552 319 S N -0.331 115.334 115.700 -0.058 0.000 2.601 319 S HA 0.508 4.978 4.470 -0.000 0.000 0.271 319 S C 1.399 175.994 174.600 -0.008 0.000 1.305 319 S CA 0.236 58.409 58.200 -0.045 0.000 1.022 319 S CB 1.744 64.928 63.200 -0.025 0.000 0.940 319 S HN 1.648 nan 8.310 nan 0.000 0.525 320 L N 1.918 123.122 121.223 -0.032 0.000 2.079 320 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 320 L C 2.120 179.039 176.870 0.083 0.000 1.081 320 L CA 1.666 56.508 54.840 0.003 0.000 0.752 320 L CB -1.208 40.824 42.059 -0.046 0.000 0.896 320 L HN 0.872 nan 8.230 nan 0.000 0.433 321 L N -0.574 120.683 121.223 0.057 0.000 2.012 321 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 321 L C 2.020 178.940 176.870 0.084 0.000 1.073 321 L CA 2.072 56.958 54.840 0.078 0.000 0.748 321 L CB -0.978 41.118 42.059 0.063 0.000 0.891 321 L HN 0.292 nan 8.230 nan 0.000 0.431 322 D N -1.223 119.222 120.400 0.076 0.000 2.123 322 D HA -0.191 4.449 4.640 -0.000 0.000 0.200 322 D C 1.975 178.333 176.300 0.096 0.000 0.976 322 D CA 1.395 55.438 54.000 0.072 0.000 0.831 322 D CB -0.290 40.544 40.800 0.058 0.000 0.974 322 D HN 0.417 nan 8.370 nan 0.000 0.469 323 F N 1.304 121.249 119.950 -0.008 0.000 2.134 323 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 323 F C 1.980 177.814 175.800 0.057 0.000 1.097 323 F CA 1.084 59.084 58.000 0.000 0.000 1.264 323 F CB -0.305 38.660 39.000 -0.058 0.000 1.001 323 F HN -0.116 nan 8.300 nan 0.000 0.479 324 L N 0.142 121.365 121.223 -0.000 0.000 2.079 324 L HA -0.239 4.100 4.340 -0.000 0.000 0.210 324 L C 2.243 179.119 176.870 0.010 0.000 1.081 324 L CA 1.661 56.505 54.840 0.008 0.000 0.752 324 L CB -0.632 41.506 42.059 0.131 0.000 0.896 324 L HN 0.093 nan 8.230 nan 0.000 0.433 325 K N -0.302 120.099 120.400 0.001 0.000 2.305 325 K HA 0.000 4.320 4.320 -0.000 0.000 0.199 325 K C 1.224 177.788 176.600 -0.060 0.000 1.047 325 K CA 0.375 56.661 56.287 -0.002 0.000 0.976 325 K CB 0.056 32.571 32.500 0.025 0.000 0.765 325 K HN 0.356 nan 8.250 nan 0.000 0.474 326 S N 0.710 116.340 115.700 -0.116 0.000 2.598 326 S HA -0.075 4.395 4.470 -0.000 0.000 0.256 326 S C 1.011 175.523 174.600 -0.147 0.000 1.350 326 S CA -0.148 57.981 58.200 -0.118 0.000 0.984 326 S CB 0.952 64.080 63.200 -0.120 0.000 0.930 326 S HN 0.211 nan 8.310 nan 0.000 0.577 327 D N 0.041 120.382 120.400 -0.098 0.000 2.097 327 D HA -0.194 4.446 4.640 -0.000 0.000 0.195 327 D C 1.858 178.092 176.300 -0.109 0.000 0.989 327 D CA 1.841 55.788 54.000 -0.088 0.000 0.827 327 D CB -0.367 40.407 40.800 -0.043 0.000 0.966 327 D HN 0.795 nan 8.370 nan 0.000 0.456 328 E N -0.749 119.390 120.200 -0.102 0.000 2.130 328 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 328 E C 2.112 178.557 176.600 -0.258 0.000 0.998 328 E CA 1.315 57.669 56.400 -0.076 0.000 0.806 328 E CB -0.492 29.268 29.700 0.100 0.000 0.738 328 E HN 0.431 nan 8.360 nan 0.000 0.459 329 G N 0.251 108.669 108.800 -0.638 0.000 2.418 329 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 329 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 329 G C 1.676 176.522 174.900 -0.091 0.000 1.158 329 G CA 1.109 45.782 45.100 -0.712 0.000 0.771 329 G HN 0.434 nan 8.290 nan 0.000 0.545 330 S N 0.221 115.830 115.700 -0.151 0.000 2.515 330 S HA 0.056 4.526 4.470 -0.000 0.000 0.231 330 S C 1.801 176.296 174.600 -0.176 0.000 0.987 330 S CA 0.981 59.009 58.200 -0.287 0.000 0.936 330 S CB -0.058 62.952 63.200 -0.318 0.000 0.766 330 S HN 0.446 nan 8.310 nan 0.000 0.528 331 K N 0.644 121.016 120.400 -0.047 0.000 2.404 331 K HA 0.182 4.502 4.320 -0.000 0.000 0.194 331 K C -0.054 176.596 176.600 0.084 0.000 1.023 331 K CA 0.011 56.301 56.287 0.006 0.000 1.094 331 K CB 0.139 32.645 32.500 0.010 0.000 0.841 331 K HN 0.351 nan 8.250 nan 0.000 0.523 332 Q N 2.278 122.181 119.800 0.171 0.000 2.296 332 Q HA 0.154 4.494 4.340 -0.000 0.000 0.263 332 Q C -2.226 173.863 176.000 0.149 0.000 1.026 332 Q CA -1.819 54.092 55.803 0.180 0.000 0.912 332 Q CB 0.505 29.405 28.738 0.270 0.000 1.198 332 Q HN 0.138 nan 8.270 nan 0.000 0.407 333 P HA -0.031 nan 4.420 nan 0.000 0.272 333 P C 0.917 178.215 177.300 -0.002 0.000 1.240 333 P CA -0.497 62.627 63.100 0.041 0.000 0.791 333 P CB 0.914 32.612 31.700 -0.004 0.000 0.978 334 L N 2.814 124.049 121.223 0.021 0.000 2.021 334 L HA -0.152 4.188 4.340 -0.000 0.000 0.215 334 L C -0.913 175.939 176.870 -0.030 0.000 1.074 334 L CA 2.743 57.582 54.840 -0.002 0.000 0.760 334 L CB -2.561 39.537 42.059 0.065 0.000 0.889 334 L HN 0.347 nan 8.230 nan 0.000 0.433 335 P HA -0.152 nan 4.420 nan 0.000 0.220 335 P C 1.457 178.665 177.300 -0.154 0.000 1.148 335 P CA 1.268 64.321 63.100 -0.077 0.000 0.803 335 P CB -0.057 31.481 31.700 -0.269 0.000 0.782 336 K N -0.425 119.825 120.400 -0.250 0.000 2.062 336 K HA 0.004 4.324 4.320 -0.000 0.000 0.205 336 K C 2.034 178.125 176.600 -0.849 0.000 1.051 336 K CA 1.066 57.041 56.287 -0.522 0.000 0.941 336 K CB -0.882 31.324 32.500 -0.491 0.000 0.719 336 K HN 0.231 nan 8.250 nan 0.000 0.440 337 L N 0.493 121.401 121.223 -0.526 0.000 2.046 337 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 337 L C 2.444 179.187 176.870 -0.212 0.000 1.077 337 L CA 1.067 55.696 54.840 -0.352 0.000 0.747 337 L CB -0.458 41.462 42.059 -0.233 0.000 0.896 337 L HN 0.075 nan 8.230 nan 0.000 0.432 338 I N 0.114 120.565 120.570 -0.198 0.000 2.286 338 I HA -0.303 3.866 4.170 -0.000 0.000 0.248 338 I C 2.216 178.279 176.117 -0.089 0.000 1.115 338 I CA 1.597 62.793 61.300 -0.173 0.000 1.392 338 I CB -0.253 37.617 38.000 -0.216 0.000 1.065 338 I HN 0.306 nan 8.210 nan 0.000 0.418 339 D N 0.457 120.787 120.400 -0.116 0.000 2.117 339 D HA -0.211 4.429 4.640 -0.000 0.000 0.197 339 D C 2.072 178.413 176.300 0.069 0.000 0.987 339 D CA 1.418 55.388 54.000 -0.050 0.000 0.829 339 D CB 0.035 40.773 40.800 -0.104 0.000 0.961 339 D HN 0.121 nan 8.370 nan 0.000 0.460 340 F N 1.023 120.979 119.950 0.011 0.000 2.069 340 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 340 F C 2.845 178.661 175.800 0.027 0.000 1.113 340 F CA 0.952 58.959 58.000 0.011 0.000 1.214 340 F CB -1.294 37.713 39.000 0.011 0.000 0.978 340 F HN -0.044 nan 8.300 nan 0.000 0.474 341 S N 0.291 116.111 115.700 0.201 0.000 2.359 341 S HA -0.223 4.246 4.470 -0.000 0.000 0.224 341 S C 2.389 177.140 174.600 0.251 0.000 1.035 341 S CA 1.222 59.529 58.200 0.180 0.000 1.018 341 S CB -0.900 62.329 63.200 0.048 0.000 0.876 341 S HN 0.387 nan 8.310 nan 0.000 0.448 342 A N 1.461 124.367 122.820 0.143 0.000 1.908 342 A HA -0.215 4.104 4.320 -0.000 0.000 0.218 342 A C 2.139 179.779 177.584 0.094 0.000 1.181 342 A CA 1.643 53.742 52.037 0.104 0.000 0.627 342 A CB -0.702 18.334 19.000 0.060 0.000 0.818 342 A HN 0.591 nan 8.150 nan 0.000 0.445 343 Q N -0.533 119.332 119.800 0.109 0.000 2.124 343 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 343 Q C 1.996 178.029 176.000 0.055 0.000 0.977 343 Q CA 1.532 57.383 55.803 0.080 0.000 0.850 343 Q CB -0.357 28.437 28.738 0.094 0.000 0.901 343 Q HN 0.761 nan 8.270 nan 0.000 0.429 344 I N 0.647 121.282 120.570 0.108 0.000 2.252 344 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 344 I C 2.413 178.532 176.117 0.004 0.000 1.102 344 I CA 0.913 62.273 61.300 0.100 0.000 1.385 344 I CB -0.402 37.742 38.000 0.239 0.000 1.064 344 I HN 0.150 nan 8.210 nan 0.000 0.414 345 A N 0.223 123.059 122.820 0.028 0.000 1.972 345 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 345 A C 2.325 179.803 177.584 -0.177 0.000 1.169 345 A CA 1.754 53.663 52.037 -0.214 0.000 0.635 345 A CB -0.594 18.300 19.000 -0.175 0.000 0.810 345 A HN 0.493 nan 8.150 nan 0.000 0.446 346 E N -0.488 119.659 120.200 -0.088 0.000 2.051 346 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 346 E C 2.091 178.576 176.600 -0.192 0.000 0.991 346 E CA 1.138 57.492 56.400 -0.075 0.000 0.799 346 E CB -0.400 29.303 29.700 0.004 0.000 0.748 346 E HN 0.516 nan 8.360 nan 0.000 0.449 347 G N 0.751 109.407 108.800 -0.239 0.000 2.402 347 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 347 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 347 G C 1.481 176.145 174.900 -0.393 0.000 1.162 347 G CA 0.775 45.652 45.100 -0.372 0.000 0.777 347 G HN 0.159 nan 8.290 nan 0.000 0.539 348 M N 1.397 120.697 119.600 -0.500 0.000 2.202 348 M HA 0.032 4.512 4.480 -0.000 0.000 0.262 348 M C 2.910 178.837 176.300 -0.621 0.000 1.063 348 M CA 0.997 55.786 55.300 -0.851 0.000 1.097 348 M CB -1.291 30.198 32.600 -1.852 0.000 1.382 348 M HN 0.325 nan 8.290 nan 0.000 0.413 349 A N -0.519 122.101 122.820 -0.334 0.000 1.898 349 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 349 A C 2.126 179.665 177.584 -0.074 0.000 1.181 349 A CA 1.272 53.255 52.037 -0.090 0.000 0.620 349 A CB -1.072 17.922 19.000 -0.010 0.000 0.819 349 A HN 0.427 nan 8.150 nan 0.000 0.442 350 F N 0.814 120.592 119.950 -0.287 0.000 2.091 350 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 350 F C 1.910 177.587 175.800 -0.205 0.000 1.103 350 F CA 1.902 59.742 58.000 -0.266 0.000 1.228 350 F CB -0.321 38.339 39.000 -0.568 0.000 0.984 350 F HN 0.196 nan 8.300 nan 0.000 0.477 351 I N 0.217 120.530 120.570 -0.429 0.000 2.202 351 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 351 I C 2.525 178.512 176.117 -0.216 0.000 1.091 351 I CA 1.800 62.818 61.300 -0.470 0.000 1.368 351 I CB -0.693 36.955 38.000 -0.587 0.000 1.058 351 I HN 0.239 nan 8.210 nan 0.000 0.410 352 E N 0.648 120.765 120.200 -0.138 0.000 2.070 352 E HA -0.321 4.029 4.350 -0.000 0.000 0.197 352 E C 2.268 178.846 176.600 -0.037 0.000 1.004 352 E CA 1.471 57.870 56.400 -0.001 0.000 0.805 352 E CB -0.082 29.685 29.700 0.111 0.000 0.744 352 E HN 0.402 nan 8.360 nan 0.000 0.451 353 Q N 0.002 119.749 119.800 -0.089 0.000 2.119 353 Q HA -0.133 4.207 4.340 -0.000 0.000 0.201 353 Q C 1.817 177.745 176.000 -0.121 0.000 0.972 353 Q CA 0.942 56.694 55.803 -0.085 0.000 0.847 353 Q CB 0.131 28.826 28.738 -0.073 0.000 0.903 353 Q HN 0.150 nan 8.270 nan 0.000 0.433 354 R N 0.785 121.159 120.500 -0.210 0.000 2.313 354 R HA 0.038 4.378 4.340 -0.000 0.000 0.199 354 R C 0.007 176.285 176.300 -0.037 0.000 0.958 354 R CA 0.027 56.060 56.100 -0.112 0.000 1.047 354 R CB -0.264 29.937 30.300 -0.166 0.000 0.955 354 R HN 0.299 nan 8.270 nan 0.000 0.481 355 N N 0.013 118.671 118.700 -0.069 0.000 2.756 355 N HA -0.224 4.516 4.740 -0.000 0.000 0.248 355 N C -1.053 174.317 175.510 -0.233 0.000 1.062 355 N CA 0.952 53.929 53.050 -0.122 0.000 0.696 355 N CB -1.594 36.801 38.487 -0.153 0.000 0.946 355 N HN 0.279 nan 8.380 nan 0.000 0.548 356 Y N -0.421 119.884 120.300 0.008 0.000 2.675 356 Y HA 0.789 5.339 4.550 -0.000 0.000 0.328 356 Y C 0.999 176.973 175.900 0.123 0.000 1.092 356 Y CA -0.939 57.223 58.100 0.104 0.000 1.190 356 Y CB 1.232 39.857 38.460 0.275 0.000 1.350 356 Y HN -0.012 nan 8.280 nan 0.000 0.525 357 I N -0.115 120.699 120.570 0.405 0.000 2.730 357 I HA 0.296 4.466 4.170 -0.000 0.000 0.298 357 I C -1.187 175.170 176.117 0.400 0.000 1.089 357 I CA -0.981 60.511 61.300 0.320 0.000 1.041 357 I CB 1.965 40.122 38.000 0.262 0.000 1.235 357 I HN 0.466 nan 8.210 nan 0.000 0.423 358 H N 5.697 124.902 119.070 0.225 0.000 2.724 358 H HA 0.375 4.931 4.556 -0.000 0.000 0.278 358 H C 0.185 175.623 175.328 0.182 0.000 1.159 358 H CA -0.536 55.649 56.048 0.228 0.000 1.254 358 H CB 0.912 30.738 29.762 0.107 0.000 1.412 358 H HN 0.561 nan 8.280 nan 0.000 0.488 359 R N 2.316 123.010 120.500 0.323 0.000 2.328 359 R HA -0.010 4.330 4.340 -0.000 0.000 0.200 359 R C -0.374 176.101 176.300 0.291 0.000 0.983 359 R CA 0.351 56.584 56.100 0.222 0.000 1.062 359 R CB 0.369 30.551 30.300 -0.197 0.000 0.956 359 R HN 0.314 nan 8.270 nan 0.000 0.479 360 D N 0.539 121.183 120.400 0.406 0.000 3.118 360 D HA 0.124 4.764 4.640 -0.000 0.000 0.286 360 D C -1.095 175.239 176.300 0.056 0.000 1.255 360 D CA -0.173 53.971 54.000 0.240 0.000 0.748 360 D CB 0.275 41.174 40.800 0.165 0.000 1.332 360 D HN -0.022 nan 8.370 nan 0.000 0.575 361 L N 2.653 123.881 121.223 0.007 0.000 2.313 361 L HA 0.507 4.847 4.340 -0.000 0.000 0.282 361 L C 0.109 176.949 176.870 -0.050 0.000 1.092 361 L CA 0.185 54.949 54.840 -0.127 0.000 0.831 361 L CB 0.254 42.330 42.059 0.027 0.000 1.159 361 L HN 0.394 nan 8.230 nan 0.000 0.442 362 R N 2.809 123.204 120.500 -0.175 0.000 2.728 362 R HA 0.400 4.740 4.340 -0.000 0.000 0.274 362 R C -0.215 175.999 176.300 -0.143 0.000 1.032 362 R CA -0.206 55.723 56.100 -0.284 0.000 0.866 362 R CB 0.793 30.415 30.300 -1.130 0.000 1.263 362 R HN 0.405 nan 8.270 nan 0.000 0.475 363 A N 1.206 124.014 122.820 -0.020 0.000 1.940 363 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 363 A C 2.221 179.780 177.584 -0.040 0.000 1.176 363 A CA 2.262 54.306 52.037 0.011 0.000 0.631 363 A CB -0.941 18.113 19.000 0.091 0.000 0.814 363 A HN 0.906 nan 8.150 nan 0.000 0.446 364 A N 0.013 122.778 122.820 -0.093 0.000 1.986 364 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 364 A C 1.395 178.935 177.584 -0.073 0.000 1.171 364 A CA 1.763 53.748 52.037 -0.086 0.000 0.640 364 A CB -0.446 18.474 19.000 -0.133 0.000 0.811 364 A HN 0.512 nan 8.150 nan 0.000 0.451 365 N N -0.052 118.594 118.700 -0.089 0.000 2.376 365 N HA 0.249 4.989 4.740 -0.000 0.000 0.249 365 N C -0.799 174.689 175.510 -0.036 0.000 1.140 365 N CA 0.156 53.181 53.050 -0.042 0.000 0.870 365 N CB 0.502 38.980 38.487 -0.015 0.000 1.124 365 N HN 0.291 nan 8.380 nan 0.000 0.505 366 I N 1.159 121.698 120.570 -0.052 0.000 2.498 366 I HA 0.384 4.553 4.170 -0.000 0.000 0.290 366 I C 0.028 176.094 176.117 -0.085 0.000 1.032 366 I CA -0.531 60.733 61.300 -0.061 0.000 1.073 366 I CB 1.897 39.859 38.000 -0.062 0.000 1.251 366 I HN -0.217 nan 8.210 nan 0.000 0.426 367 L N 5.519 126.680 121.223 -0.102 0.000 2.334 367 L HA 0.722 5.062 4.340 -0.000 0.000 0.272 367 L C -0.471 176.282 176.870 -0.195 0.000 1.020 367 L CA -1.041 53.714 54.840 -0.141 0.000 0.812 367 L CB 2.229 44.205 42.059 -0.138 0.000 1.264 367 L HN 0.223 nan 8.230 nan 0.000 0.439 368 V N 0.154 119.921 119.914 -0.246 0.000 2.604 368 V HA 0.425 4.545 4.120 -0.000 0.000 0.305 368 V C 0.046 175.968 176.094 -0.288 0.000 1.043 368 V CA -0.683 61.415 62.300 -0.337 0.000 0.888 368 V CB 1.822 33.315 31.823 -0.550 0.000 0.995 368 V HN 0.901 nan 8.190 nan 0.000 0.429 369 S N 3.221 118.773 115.700 -0.247 0.000 2.672 369 S HA 0.626 5.096 4.470 -0.000 0.000 0.276 369 S C 1.376 175.883 174.600 -0.156 0.000 1.207 369 S CA 0.103 58.205 58.200 -0.162 0.000 1.002 369 S CB 1.712 64.850 63.200 -0.103 0.000 0.998 369 S HN 1.277 nan 8.310 nan 0.000 0.542 370 A N 1.262 124.038 122.820 -0.074 0.000 2.032 370 A HA -0.052 4.268 4.320 -0.000 0.000 0.221 370 A C 2.211 179.769 177.584 -0.044 0.000 1.165 370 A CA 2.040 54.055 52.037 -0.037 0.000 0.645 370 A CB -1.246 17.766 19.000 0.020 0.000 0.807 370 A HN 1.337 nan 8.150 nan 0.000 0.453 371 S N -1.403 114.268 115.700 -0.048 0.000 2.577 371 S HA 0.369 4.839 4.470 -0.000 0.000 0.219 371 S C 0.678 175.253 174.600 -0.041 0.000 0.962 371 S CA 0.434 58.617 58.200 -0.027 0.000 0.921 371 S CB -0.664 62.529 63.200 -0.011 0.000 0.789 371 S HN 0.815 nan 8.310 nan 0.000 0.497 372 L N -0.781 120.365 121.223 -0.129 0.000 4.800 372 L HA -0.130 4.209 4.340 -0.000 0.000 0.412 372 L C -0.248 176.542 176.870 -0.133 0.000 1.063 372 L CA -0.208 54.520 54.840 -0.186 0.000 1.114 372 L CB -2.489 39.581 42.059 0.018 0.000 2.089 372 L HN 0.222 nan 8.230 nan 0.000 0.686 373 V N 0.593 120.442 119.914 -0.109 0.000 2.479 373 V HA 0.033 4.153 4.120 -0.000 0.000 0.281 373 V C 0.988 176.997 176.094 -0.142 0.000 1.031 373 V CA 0.048 62.302 62.300 -0.076 0.000 1.038 373 V CB 1.082 32.876 31.823 -0.049 0.000 0.981 373 V HN 0.321 nan 8.190 nan 0.000 0.478 374 C N 6.730 125.962 119.300 -0.113 0.000 2.435 374 C HA 0.498 4.958 4.460 -0.000 0.000 0.375 374 C C 0.520 175.464 174.990 -0.077 0.000 1.281 374 C CA -0.787 58.150 59.018 -0.135 0.000 1.963 374 C CB -0.461 27.218 27.740 -0.102 0.000 2.490 374 C HN 0.855 nan 8.230 nan 0.000 0.557 375 K N 2.961 123.309 120.400 -0.087 0.000 2.426 375 K HA 0.600 4.920 4.320 -0.000 0.000 0.251 375 K C -1.071 175.502 176.600 -0.046 0.000 0.941 375 K CA -0.475 55.778 56.287 -0.057 0.000 0.808 375 K CB 1.901 34.368 32.500 -0.056 0.000 1.265 375 K HN 0.536 nan 8.250 nan 0.000 0.432 376 I N 2.069 122.624 120.570 -0.025 0.000 2.474 376 I HA 0.257 4.427 4.170 -0.000 0.000 0.287 376 I C 0.135 176.293 176.117 0.069 0.000 1.048 376 I CA -0.143 61.165 61.300 0.013 0.000 1.383 376 I CB 1.265 39.269 38.000 0.008 0.000 1.412 376 I HN 0.627 nan 8.210 nan 0.000 0.531 377 A N 3.591 126.476 122.820 0.108 0.000 2.354 377 A HA 0.611 4.931 4.320 -0.000 0.000 0.321 377 A C -0.022 177.686 177.584 0.205 0.000 1.125 377 A CA -0.356 51.742 52.037 0.102 0.000 0.799 377 A CB 1.031 20.051 19.000 0.034 0.000 1.293 377 A HN 0.823 nan 8.150 nan 0.000 0.452 378 D N -1.603 118.849 120.400 0.087 0.000 3.070 378 D HA -0.165 4.475 4.640 -0.000 0.000 0.210 378 D C -0.292 175.865 176.300 -0.238 0.000 1.103 378 D CA 1.336 55.331 54.000 -0.008 0.000 0.980 378 D CB -1.675 39.161 40.800 0.060 0.000 1.100 378 D HN 0.524 nan 8.370 nan 0.000 0.423 379 F N 1.069 120.799 119.950 -0.366 0.000 2.519 379 F HA 0.399 4.926 4.527 -0.000 0.000 0.375 379 F C 1.614 177.218 175.800 -0.327 0.000 1.084 379 F CA 1.377 59.079 58.000 -0.497 0.000 1.147 379 F CB 0.103 38.982 39.000 -0.200 0.000 1.088 379 F HN 0.201 nan 8.300 nan 0.000 0.555 380 G N 4.680 113.049 108.800 -0.719 0.000 2.376 380 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.208 380 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.208 380 G C 0.771 175.429 174.900 -0.403 0.000 1.032 380 G CA 0.085 44.803 45.100 -0.637 0.000 0.641 380 G HN 0.744 nan 8.290 nan 0.000 0.503 381 L N 2.028 123.062 121.223 -0.316 0.000 2.191 381 L HA 0.492 4.832 4.340 -0.000 0.000 0.212 381 L C 2.995 179.732 176.870 -0.221 0.000 1.103 381 L CA 2.889 57.597 54.840 -0.221 0.000 0.769 381 L CB -0.450 41.527 42.059 -0.136 0.000 0.908 381 L HN 0.694 nan 8.230 nan 0.000 0.438 382 A N -0.341 122.339 122.820 -0.233 0.000 1.969 382 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 382 A C 2.582 180.038 177.584 -0.214 0.000 1.169 382 A CA 1.756 53.664 52.037 -0.214 0.000 0.635 382 A CB -0.754 18.135 19.000 -0.185 0.000 0.810 382 A HN 0.448 nan 8.150 nan 0.000 0.445 383 R N -0.718 119.656 120.500 -0.209 0.000 2.193 383 R HA 0.386 4.726 4.340 -0.000 0.000 0.213 383 R C 2.200 178.406 176.300 -0.157 0.000 1.055 383 R CA 1.695 57.691 56.100 -0.174 0.000 0.995 383 R CB -1.857 28.343 30.300 -0.166 0.000 0.893 383 R HN 0.851 nan 8.270 nan 0.000 0.459 384 V N 0.604 120.410 119.914 -0.180 0.000 2.283 384 V HA 0.440 4.560 4.120 -0.000 0.000 0.239 384 V C 2.167 178.207 176.094 -0.090 0.000 1.035 384 V CA 1.674 63.910 62.300 -0.106 0.000 1.018 384 V CB -1.081 30.682 31.823 -0.099 0.000 0.658 384 V HN 0.672 nan 8.190 nan 0.000 0.459 400 I N -1.852 118.863 120.570 0.242 0.000 2.454 400 I HA -0.104 4.066 4.170 -0.000 0.000 0.254 400 I C 1.570 177.803 176.117 0.193 0.000 1.156 400 I CA 1.404 62.807 61.300 0.171 0.000 1.433 400 I CB -0.394 37.640 38.000 0.056 0.000 1.082 400 I HN -0.111 nan 8.210 nan 0.000 0.432 401 K N 0.091 120.641 120.400 0.251 0.000 2.360 401 K HA -0.097 4.223 4.320 -0.000 0.000 0.201 401 K C 1.310 177.971 176.600 0.102 0.000 1.046 401 K CA 1.278 57.614 56.287 0.082 0.000 0.945 401 K CB -0.208 32.230 32.500 -0.104 0.000 0.750 401 K HN 0.581 nan 8.250 nan 0.000 0.464 402 W N 1.471 122.911 121.300 0.233 0.000 3.239 402 W HA 0.099 4.759 4.660 -0.000 0.000 0.348 402 W C -0.094 176.597 176.519 0.287 0.000 1.183 402 W CA -0.172 57.354 57.345 0.301 0.000 1.819 402 W CB 0.399 30.006 29.460 0.245 0.000 1.091 402 W HN -0.177 nan 8.180 nan 0.000 0.629 403 T N 1.102 115.843 114.554 0.312 0.000 2.795 403 T HA 0.528 4.878 4.350 -0.000 0.000 0.282 403 T C 0.350 174.812 174.700 -0.397 0.000 0.980 403 T CA -0.417 61.719 62.100 0.061 0.000 1.012 403 T CB 2.268 71.178 68.868 0.071 0.000 0.936 403 T HN -0.026 nan 8.240 nan 0.000 0.457 404 A N 4.639 127.110 122.820 -0.583 0.000 2.462 404 A HA 0.410 4.729 4.320 -0.000 0.000 0.243 404 A C -1.203 175.928 177.584 -0.756 0.000 1.076 404 A CA -1.228 50.166 52.037 -1.071 0.000 0.773 404 A CB -0.143 18.541 19.000 -0.526 0.000 1.010 404 A HN 0.530 nan 8.150 nan 0.000 0.493 405 P HA -0.214 nan 4.420 nan 0.000 0.216 405 P C 0.845 177.973 177.300 -0.285 0.000 1.154 405 P CA 1.913 64.744 63.100 -0.449 0.000 0.865 405 P CB 0.098 31.586 31.700 -0.353 0.000 0.789 406 E N 0.011 120.086 120.200 -0.208 0.000 2.085 406 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 406 E C 2.110 178.635 176.600 -0.126 0.000 0.994 406 E CA 1.719 58.101 56.400 -0.030 0.000 0.801 406 E CB -1.473 28.215 29.700 -0.019 0.000 0.743 406 E HN 0.214 nan 8.360 nan 0.000 0.453 407 A N 0.628 123.226 122.820 -0.371 0.000 1.968 407 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 407 A C 2.265 179.599 177.584 -0.417 0.000 1.169 407 A CA 0.905 52.532 52.037 -0.683 0.000 0.638 407 A CB -0.510 17.669 19.000 -1.368 0.000 0.812 407 A HN 0.188 nan 8.150 nan 0.000 0.446 408 I N -0.030 120.348 120.570 -0.321 0.000 2.163 408 I HA -0.231 3.939 4.170 -0.000 0.000 0.240 408 I C 2.067 178.051 176.117 -0.221 0.000 1.081 408 I CA 1.211 62.383 61.300 -0.213 0.000 1.353 408 I CB -0.361 37.506 38.000 -0.221 0.000 1.054 408 I HN 0.323 nan 8.210 nan 0.000 0.407 409 N N 0.090 118.602 118.700 -0.313 0.000 2.270 409 N HA -0.080 4.660 4.740 -0.000 0.000 0.181 409 N C 1.242 176.337 175.510 -0.692 0.000 1.016 409 N CA 1.493 54.200 53.050 -0.571 0.000 0.870 409 N CB 0.121 38.127 38.487 -0.802 0.000 0.979 409 N HN 0.273 nan 8.380 nan 0.000 0.431 410 F N -1.658 118.245 119.950 -0.079 0.000 2.880 410 F HA 0.332 4.859 4.527 -0.000 0.000 0.346 410 F C 1.603 177.398 175.800 -0.009 0.000 1.054 410 F CA 0.195 58.169 58.000 -0.043 0.000 1.151 410 F CB 0.325 39.295 39.000 -0.049 0.000 1.066 410 F HN 0.009 nan 8.300 nan 0.000 0.566 411 G N 0.219 109.093 108.800 0.122 0.000 2.184 411 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.264 411 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.264 411 G C 0.501 175.535 174.900 0.223 0.000 0.975 411 G CA 0.443 45.671 45.100 0.214 0.000 0.642 411 G HN 0.203 nan 8.290 nan 0.000 0.536 412 S N 1.212 116.972 115.700 0.101 0.000 3.716 412 S HA 0.411 4.881 4.470 -0.000 0.000 0.254 412 S C 0.037 174.628 174.600 -0.014 0.000 1.209 412 S CA 0.036 58.278 58.200 0.070 0.000 1.026 412 S CB -0.466 62.760 63.200 0.043 0.000 1.625 412 S HN 0.315 nan 8.310 nan 0.000 0.500 413 F N 2.715 122.708 119.950 0.071 0.000 2.421 413 F HA 0.354 4.881 4.527 -0.000 0.000 0.358 413 F C 1.356 177.206 175.800 0.082 0.000 1.115 413 F CA -0.329 57.720 58.000 0.082 0.000 1.160 413 F CB 0.850 39.901 39.000 0.086 0.000 1.123 413 F HN 0.330 nan 8.300 nan 0.000 0.508 414 T N 0.006 114.701 114.554 0.234 0.000 2.742 414 T HA 0.349 4.699 4.350 -0.000 0.000 0.282 414 T C 0.631 175.463 174.700 0.219 0.000 1.025 414 T CA -0.689 61.521 62.100 0.184 0.000 1.020 414 T CB 1.082 70.018 68.868 0.114 0.000 1.317 414 T HN 0.357 nan 8.240 nan 0.000 0.538 415 I N 0.725 121.409 120.570 0.191 0.000 2.567 415 I HA 0.003 4.173 4.170 -0.000 0.000 0.257 415 I C 1.957 178.212 176.117 0.231 0.000 1.184 415 I CA 1.341 62.788 61.300 0.246 0.000 1.451 415 I CB -0.344 37.785 38.000 0.215 0.000 1.089 415 I HN 0.489 nan 8.210 nan 0.000 0.441 416 K N 0.118 120.609 120.400 0.150 0.000 2.228 416 K HA 0.007 4.327 4.320 -0.000 0.000 0.202 416 K C 2.292 179.004 176.600 0.187 0.000 1.051 416 K CA 1.306 57.661 56.287 0.115 0.000 0.960 416 K CB -0.561 31.986 32.500 0.077 0.000 0.743 416 K HN 0.529 nan 8.250 nan 0.000 0.458 417 S N 1.329 117.144 115.700 0.192 0.000 2.402 417 S HA -0.129 4.341 4.470 -0.000 0.000 0.229 417 S C 1.485 176.295 174.600 0.350 0.000 1.021 417 S CA 1.059 59.383 58.200 0.206 0.000 0.974 417 S CB -0.178 63.042 63.200 0.034 0.000 0.800 417 S HN 0.107 nan 8.310 nan 0.000 0.484 418 D N 1.745 122.379 120.400 0.390 0.000 2.123 418 D HA -0.066 4.574 4.640 -0.000 0.000 0.196 418 D C 2.085 178.733 176.300 0.580 0.000 0.992 418 D CA 1.097 55.402 54.000 0.508 0.000 0.833 418 D CB -0.629 40.503 40.800 0.553 0.000 0.954 418 D HN 0.333 nan 8.370 nan 0.000 0.455 419 V N 0.794 120.884 119.914 0.294 0.000 2.287 419 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 419 V C 2.176 178.442 176.094 0.286 0.000 1.053 419 V CA 1.441 63.732 62.300 -0.015 0.000 1.027 419 V CB -0.493 31.157 31.823 -0.289 0.000 0.646 419 V HN 0.384 nan 8.190 nan 0.000 0.447 420 W N 1.371 122.790 121.300 0.198 0.000 2.315 420 W HA -0.267 4.393 4.660 -0.000 0.000 0.323 420 W C 2.667 179.433 176.519 0.413 0.000 1.233 420 W CA 2.543 60.078 57.345 0.318 0.000 1.267 420 W CB -0.887 28.731 29.460 0.264 0.000 1.160 420 W HN 0.353 nan 8.180 nan 0.000 0.474 421 S N 0.687 116.857 115.700 0.783 0.000 2.392 421 S HA -0.295 4.175 4.470 -0.000 0.000 0.232 421 S C 1.579 176.519 174.600 0.566 0.000 1.041 421 S CA 1.921 60.532 58.200 0.686 0.000 1.026 421 S CB -1.183 62.356 63.200 0.564 0.000 0.845 421 S HN 0.365 nan 8.310 nan 0.000 0.465 422 F N 2.458 122.636 119.950 0.380 0.000 2.186 422 F HA 0.032 4.559 4.527 -0.000 0.000 0.299 422 F C 2.288 178.183 175.800 0.159 0.000 1.090 422 F CA 1.121 59.294 58.000 0.290 0.000 1.307 422 F CB -0.949 38.287 39.000 0.394 0.000 1.019 422 F HN 0.206 nan 8.300 nan 0.000 0.489 423 G N 1.246 110.093 108.800 0.079 0.000 2.446 423 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 423 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 423 G C 1.644 176.617 174.900 0.122 0.000 1.168 423 G CA 1.166 46.121 45.100 -0.241 0.000 0.771 423 G HN 0.343 nan 8.290 nan 0.000 0.551 424 I N 0.679 121.510 120.570 0.436 0.000 2.179 424 I HA -0.089 4.081 4.170 -0.000 0.000 0.242 424 I C 2.666 178.874 176.117 0.151 0.000 1.088 424 I CA 0.733 62.193 61.300 0.267 0.000 1.357 424 I CB -1.300 36.752 38.000 0.086 0.000 1.051 424 I HN 0.171 nan 8.210 nan 0.000 0.409 425 L N 0.899 122.252 121.223 0.218 0.000 2.013 425 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 425 L C 2.370 179.186 176.870 -0.090 0.000 1.073 425 L CA 1.755 56.675 54.840 0.134 0.000 0.753 425 L CB -0.985 41.120 42.059 0.077 0.000 0.890 425 L HN 0.095 nan 8.230 nan 0.000 0.432 426 L N -1.207 119.829 121.223 -0.312 0.000 2.042 426 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 426 L C 2.514 179.292 176.870 -0.153 0.000 1.076 426 L CA 2.323 56.959 54.840 -0.341 0.000 0.749 426 L CB -0.632 41.136 42.059 -0.484 0.000 0.893 426 L HN 0.502 nan 8.230 nan 0.000 0.432 427 M N -0.858 118.710 119.600 -0.053 0.000 2.132 427 M HA -0.180 4.300 4.480 -0.000 0.000 0.263 427 M C 2.087 178.380 176.300 -0.013 0.000 1.065 427 M CA 1.615 56.920 55.300 0.008 0.000 1.122 427 M CB -0.351 32.315 32.600 0.109 0.000 1.365 427 M HN 0.253 nan 8.290 nan 0.000 0.411 428 E N -0.040 120.170 120.200 0.017 0.000 2.070 428 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 428 E C 2.013 178.620 176.600 0.013 0.000 1.004 428 E CA 1.951 58.388 56.400 0.062 0.000 0.805 428 E CB -0.380 29.431 29.700 0.185 0.000 0.744 428 E HN 0.586 nan 8.360 nan 0.000 0.451 429 I N 0.431 120.985 120.570 -0.027 0.000 2.179 429 I HA -0.256 3.913 4.170 -0.000 0.000 0.242 429 I C 2.240 178.227 176.117 -0.217 0.000 1.088 429 I CA 0.888 62.146 61.300 -0.069 0.000 1.357 429 I CB -0.060 37.912 38.000 -0.047 0.000 1.051 429 I HN -0.004 nan 8.210 nan 0.000 0.409 430 V N 0.102 119.901 119.914 -0.192 0.000 2.871 430 V HA -0.140 3.980 4.120 -0.000 0.000 0.256 430 V C 2.034 178.011 176.094 -0.194 0.000 1.082 430 V CA 1.933 64.091 62.300 -0.237 0.000 1.105 430 V CB -1.012 30.734 31.823 -0.129 0.000 0.713 430 V HN 0.602 nan 8.190 nan 0.000 0.473 431 T N -4.014 110.491 114.554 -0.081 0.000 3.163 431 T HA 0.113 4.463 4.350 -0.000 0.000 0.252 431 T C 0.492 175.305 174.700 0.188 0.000 1.056 431 T CA -0.431 61.711 62.100 0.069 0.000 0.947 431 T CB -0.602 68.294 68.868 0.047 0.000 1.016 431 T HN 0.371 nan 8.240 nan 0.000 0.554 432 Y N 1.175 121.493 120.300 0.030 0.000 3.168 432 Y HA -0.118 4.432 4.550 -0.000 0.000 0.207 432 Y C 1.444 177.364 175.900 0.034 0.000 1.280 432 Y CA 0.711 58.828 58.100 0.029 0.000 1.235 432 Y CB -2.269 36.191 38.460 0.001 0.000 1.370 432 Y HN 0.679 nan 8.280 nan 0.000 0.537 433 G N -0.158 108.720 108.800 0.129 0.000 2.147 433 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.244 433 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.244 433 G C 0.348 175.323 174.900 0.125 0.000 1.005 433 G CA 0.026 45.204 45.100 0.130 0.000 0.713 433 G HN 0.679 nan 8.290 nan 0.000 0.515 434 R N 0.389 120.954 120.500 0.108 0.000 2.537 434 R HA 0.287 4.626 4.340 -0.000 0.000 0.280 434 R C 1.199 177.543 176.300 0.074 0.000 1.058 434 R CA -0.649 55.500 56.100 0.081 0.000 1.057 434 R CB 0.104 30.439 30.300 0.060 0.000 0.973 434 R HN 0.204 nan 8.270 nan 0.000 0.438 435 I N 7.268 127.885 120.570 0.077 0.000 2.845 435 I HA -0.107 4.063 4.170 -0.000 0.000 0.296 435 I C -1.333 174.759 176.117 -0.042 0.000 1.216 435 I CA -1.203 60.136 61.300 0.066 0.000 1.438 435 I CB 0.049 38.097 38.000 0.079 0.000 1.342 435 I HN 0.565 nan 8.210 nan 0.000 0.577 436 P HA -0.187 nan 4.420 nan 0.000 0.203 436 P C -0.079 177.036 177.300 -0.308 0.000 1.002 436 P CA 1.664 64.552 63.100 -0.353 0.000 0.964 436 P CB -0.047 31.321 31.700 -0.553 0.000 0.727 437 Y N -0.015 120.199 120.300 -0.144 0.000 2.691 437 Y HA 0.250 4.799 4.550 -0.000 0.000 0.338 437 Y C -1.823 174.057 175.900 -0.033 0.000 1.148 437 Y CA -2.856 55.209 58.100 -0.058 0.000 1.430 437 Y CB -0.772 37.661 38.460 -0.045 0.000 1.303 437 Y HN 0.122 nan 8.280 nan 0.000 0.499 438 P HA 0.138 nan 4.420 nan 0.000 0.276 438 P C 0.906 178.236 177.300 0.049 0.000 1.243 438 P CA 0.633 63.761 63.100 0.047 0.000 0.768 438 P CB 1.361 33.076 31.700 0.025 0.000 0.856 439 G N 2.527 111.351 108.800 0.041 0.000 2.179 439 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 439 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 439 G C 0.043 174.952 174.900 0.016 0.000 0.977 439 G CA -0.099 45.016 45.100 0.025 0.000 0.641 439 G HN 0.479 nan 8.290 nan 0.000 0.533 440 M N 1.221 120.839 119.600 0.031 0.000 2.537 440 M HA 0.565 5.045 4.480 -0.000 0.000 0.324 440 M C 0.785 177.081 176.300 -0.006 0.000 1.187 440 M CA -0.359 54.941 55.300 0.001 0.000 0.993 440 M CB 1.985 34.590 32.600 0.008 0.000 1.666 440 M HN 0.410 nan 8.290 nan 0.000 0.461 441 S N 0.567 116.245 115.700 -0.035 0.000 2.687 441 S HA 0.389 4.859 4.470 -0.000 0.000 0.283 441 S C 0.268 174.832 174.600 -0.061 0.000 1.170 441 S CA -0.810 57.371 58.200 -0.031 0.000 1.008 441 S CB 1.013 64.197 63.200 -0.028 0.000 1.026 441 S HN 0.792 nan 8.310 nan 0.000 0.541 442 N N 1.707 120.383 118.700 -0.039 0.000 2.036 442 N HA -0.056 4.684 4.740 -0.000 0.000 0.195 442 N C -1.304 174.156 175.510 -0.083 0.000 1.037 442 N CA 1.577 54.594 53.050 -0.054 0.000 0.855 442 N CB -1.202 37.279 38.487 -0.010 0.000 1.033 442 N HN 0.533 nan 8.380 nan 0.000 0.423 443 P HA -0.129 nan 4.420 nan 0.000 0.217 443 P C 0.724 177.967 177.300 -0.095 0.000 1.150 443 P CA 1.197 64.254 63.100 -0.073 0.000 0.832 443 P CB 0.082 31.751 31.700 -0.053 0.000 0.787 444 E N -0.557 119.583 120.200 -0.101 0.000 2.077 444 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 444 E C 1.943 178.439 176.600 -0.174 0.000 0.989 444 E CA 1.136 57.463 56.400 -0.122 0.000 0.800 444 E CB -0.509 29.123 29.700 -0.113 0.000 0.746 444 E HN 0.047 nan 8.360 nan 0.000 0.452 445 V N 1.463 121.241 119.914 -0.227 0.000 2.295 445 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 445 V C 2.276 178.213 176.094 -0.262 0.000 1.049 445 V CA 1.571 63.651 62.300 -0.367 0.000 1.024 445 V CB -0.456 31.032 31.823 -0.559 0.000 0.648 445 V HN 0.250 nan 8.190 nan 0.000 0.447 446 I N -0.315 120.139 120.570 -0.193 0.000 2.163 446 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 446 I C 2.802 178.851 176.117 -0.115 0.000 1.085 446 I CA 1.797 63.007 61.300 -0.150 0.000 1.347 446 I CB -0.485 37.438 38.000 -0.128 0.000 1.044 446 I HN 0.220 nan 8.210 nan 0.000 0.408 447 R N 0.690 121.127 120.500 -0.104 0.000 2.081 447 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 447 R C 2.445 178.708 176.300 -0.061 0.000 1.131 447 R CA 1.484 57.538 56.100 -0.077 0.000 0.960 447 R CB -0.552 29.703 30.300 -0.075 0.000 0.856 447 R HN 0.382 nan 8.270 nan 0.000 0.436 448 A N 1.286 124.055 122.820 -0.084 0.000 1.972 448 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 448 A C 2.184 179.809 177.584 0.068 0.000 1.169 448 A CA 1.049 53.061 52.037 -0.042 0.000 0.635 448 A CB -0.421 18.494 19.000 -0.142 0.000 0.810 448 A HN 0.164 nan 8.150 nan 0.000 0.446 449 L N -0.950 120.290 121.223 0.029 0.000 2.093 449 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 449 L C 2.698 179.610 176.870 0.071 0.000 1.085 449 L CA 1.066 55.955 54.840 0.081 0.000 0.755 449 L CB -0.465 41.610 42.059 0.026 0.000 0.904 449 L HN 0.346 nan 8.230 nan 0.000 0.435 450 E N 0.571 120.783 120.200 0.019 0.000 2.038 450 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 450 E C 2.291 178.917 176.600 0.043 0.000 1.000 450 E CA 1.232 57.644 56.400 0.020 0.000 0.803 450 E CB -0.114 29.581 29.700 -0.009 0.000 0.750 450 E HN 0.355 nan 8.360 nan 0.000 0.448 451 R N -1.044 119.481 120.500 0.042 0.000 2.133 451 R HA -0.205 4.135 4.340 -0.000 0.000 0.247 451 R C 1.491 177.843 176.300 0.087 0.000 1.151 451 R CA 1.315 57.449 56.100 0.056 0.000 0.971 451 R CB -0.143 30.186 30.300 0.049 0.000 0.866 451 R HN 0.394 nan 8.270 nan 0.000 0.447 452 G N -1.803 107.068 108.800 0.119 0.000 2.175 452 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.182 452 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.182 452 G C -0.251 174.744 174.900 0.159 0.000 1.003 452 G CA -0.205 44.972 45.100 0.129 0.000 0.666 452 G HN 0.365 nan 8.290 nan 0.000 0.506 453 Y N 1.559 121.894 120.300 0.058 0.000 2.497 453 Y HA 0.670 5.220 4.550 -0.000 0.000 0.334 453 Y C 0.469 176.415 175.900 0.077 0.000 1.199 453 Y CA -0.062 58.077 58.100 0.064 0.000 1.425 453 Y CB 0.598 39.088 38.460 0.050 0.000 1.291 453 Y HN 0.217 nan 8.280 nan 0.000 0.562 454 R N 4.457 124.546 120.500 -0.685 0.000 2.744 454 R HA 0.399 4.738 4.340 -0.000 0.000 0.279 454 R C -1.023 174.677 176.300 -0.999 0.000 0.977 454 R CA -0.949 54.772 56.100 -0.632 0.000 0.906 454 R CB 1.437 31.611 30.300 -0.209 0.000 1.197 454 R HN 0.849 nan 8.270 nan 0.000 0.463 455 M N 4.636 123.816 119.600 -0.700 0.000 2.261 455 M HA 0.086 4.566 4.480 -0.000 0.000 0.350 455 M C -1.675 174.575 176.300 -0.083 0.000 1.343 455 M CA -0.603 54.451 55.300 -0.409 0.000 1.003 455 M CB 0.393 32.711 32.600 -0.469 0.000 1.848 455 M HN 0.282 nan 8.290 nan 0.000 0.456 456 P HA 0.110 nan 4.420 nan 0.000 0.274 456 P C -0.943 176.226 177.300 -0.218 0.000 1.246 456 P CA -0.382 62.683 63.100 -0.058 0.000 0.795 456 P CB 0.469 32.139 31.700 -0.050 0.000 1.006 457 R N 1.623 121.721 120.500 -0.669 0.000 2.370 457 R HA 0.218 4.558 4.340 -0.000 0.000 0.309 457 R C -1.860 174.233 176.300 -0.344 0.000 1.059 457 R CA -1.194 54.374 56.100 -0.887 0.000 0.981 457 R CB -0.474 29.099 30.300 -1.212 0.000 0.972 457 R HN 0.394 nan 8.270 nan 0.000 0.437 458 P HA 0.041 nan 4.420 nan 0.000 0.274 458 P C 0.005 177.257 177.300 -0.080 0.000 1.246 458 P CA -0.334 62.710 63.100 -0.093 0.000 0.795 458 P CB 0.731 32.407 31.700 -0.039 0.000 1.006 459 E N 0.957 121.133 120.200 -0.040 0.000 2.051 459 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 459 E C 1.347 177.942 176.600 -0.009 0.000 0.991 459 E CA 1.409 57.793 56.400 -0.027 0.000 0.799 459 E CB -0.150 29.544 29.700 -0.010 0.000 0.748 459 E HN 0.473 nan 8.360 nan 0.000 0.449 460 N N 0.030 118.738 118.700 0.015 0.000 2.461 460 N HA -0.077 4.663 4.740 -0.000 0.000 0.188 460 N C -0.207 175.319 175.510 0.027 0.000 1.134 460 N CA 0.086 53.157 53.050 0.035 0.000 0.878 460 N CB -0.659 37.872 38.487 0.074 0.000 0.972 460 N HN 0.045 nan 8.380 nan 0.000 0.456 461 C N 2.943 122.243 119.300 -0.001 0.000 2.464 461 C HA 0.390 4.850 4.460 -0.000 0.000 0.370 461 C C -2.283 172.718 174.990 0.018 0.000 1.267 461 C CA -1.764 57.252 59.018 -0.003 0.000 1.781 461 C CB -0.540 27.186 27.740 -0.024 0.000 2.431 461 C HN 0.269 nan 8.230 nan 0.000 0.556 462 P HA 0.089 nan 4.420 nan 0.000 0.268 462 P C 0.796 178.163 177.300 0.111 0.000 1.205 462 P CA 0.334 63.496 63.100 0.104 0.000 0.771 462 P CB 0.501 32.325 31.700 0.207 0.000 0.858 463 E N 2.340 122.586 120.200 0.077 0.000 2.108 463 E HA -0.258 4.092 4.350 -0.000 0.000 0.203 463 E C 1.307 177.988 176.600 0.134 0.000 1.022 463 E CA 1.890 58.347 56.400 0.095 0.000 0.823 463 E CB -0.195 29.536 29.700 0.050 0.000 0.744 463 E HN 0.586 nan 8.360 nan 0.000 0.456 464 E N 0.496 120.764 120.200 0.114 0.000 2.150 464 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 464 E C 1.948 178.689 176.600 0.236 0.000 0.985 464 E CA 0.263 56.730 56.400 0.111 0.000 0.814 464 E CB -0.165 29.506 29.700 -0.048 0.000 0.752 464 E HN 0.064 nan 8.360 nan 0.000 0.466 465 L N -0.369 121.038 121.223 0.306 0.000 2.109 465 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 465 L C 1.988 178.856 176.870 -0.003 0.000 1.086 465 L CA 1.511 56.394 54.840 0.071 0.000 0.760 465 L CB -0.417 41.576 42.059 -0.111 0.000 0.910 465 L HN 0.150 nan 8.230 nan 0.000 0.437 466 Y N 0.190 120.441 120.300 -0.082 0.000 2.242 466 Y HA -0.203 4.346 4.550 -0.000 0.000 0.291 466 Y C 2.329 178.123 175.900 -0.177 0.000 1.137 466 Y CA 1.613 59.629 58.100 -0.140 0.000 1.181 466 Y CB -0.285 38.129 38.460 -0.078 0.000 0.989 466 Y HN 0.319 nan 8.280 nan 0.000 0.527 467 N N 0.232 118.862 118.700 -0.116 0.000 2.205 467 N HA -0.174 4.565 4.740 -0.000 0.000 0.186 467 N C 1.738 177.100 175.510 -0.246 0.000 1.015 467 N CA 1.422 54.363 53.050 -0.181 0.000 0.862 467 N CB -0.263 38.193 38.487 -0.052 0.000 0.986 467 N HN 0.340 nan 8.380 nan 0.000 0.429 468 I N 0.947 121.390 120.570 -0.213 0.000 2.233 468 I HA -0.142 4.028 4.170 -0.000 0.000 0.243 468 I C 2.118 177.968 176.117 -0.445 0.000 1.093 468 I CA 0.901 62.070 61.300 -0.218 0.000 1.380 468 I CB -0.892 37.038 38.000 -0.116 0.000 1.067 468 I HN 0.148 nan 8.210 nan 0.000 0.413 469 M N -0.491 118.708 119.600 -0.668 0.000 2.080 469 M HA -0.253 4.227 4.480 -0.000 0.000 0.260 469 M C 2.317 177.649 176.300 -1.614 0.000 1.068 469 M CA 1.736 56.253 55.300 -1.305 0.000 1.109 469 M CB -0.473 31.236 32.600 -1.485 0.000 1.342 469 M HN 0.131 nan 8.290 nan 0.000 0.405 470 M N -0.134 118.808 119.600 -1.097 0.000 2.149 470 M HA -0.176 4.303 4.480 -0.000 0.000 0.261 470 M C 2.121 178.160 176.300 -0.435 0.000 1.064 470 M CA 1.852 56.756 55.300 -0.661 0.000 1.102 470 M CB -1.137 31.143 32.600 -0.532 0.000 1.369 470 M HN 0.267 nan 8.290 nan 0.000 0.408 471 R N -1.186 119.078 120.500 -0.393 0.000 2.115 471 R HA -0.088 4.252 4.340 -0.000 0.000 0.230 471 R C 2.301 178.451 176.300 -0.248 0.000 1.111 471 R CA 1.198 57.151 56.100 -0.244 0.000 0.976 471 R CB -0.389 29.815 30.300 -0.161 0.000 0.870 471 R HN 0.384 nan 8.270 nan 0.000 0.445 472 C N -0.799 118.253 119.300 -0.414 0.000 2.432 472 C HA -0.047 4.412 4.460 -0.000 0.000 0.280 472 C C 1.168 175.981 174.990 -0.295 0.000 1.353 472 C CA -0.052 58.754 59.018 -0.353 0.000 1.766 472 C CB -0.625 26.833 27.740 -0.469 0.000 1.924 472 C HN 0.586 nan 8.230 nan 0.000 0.509 473 W N 1.431 122.417 121.300 -0.525 0.000 3.269 473 W HA 0.298 4.958 4.660 -0.000 0.000 0.413 473 W C 0.459 176.772 176.519 -0.343 0.000 1.057 473 W CA -0.884 55.887 57.345 -0.956 0.000 1.953 473 W CB -0.847 28.011 29.460 -1.004 0.000 1.053 473 W HN 0.175 nan 8.180 nan 0.000 0.753 474 K N 0.962 121.415 120.400 0.089 0.000 2.368 474 K HA -0.026 4.294 4.320 -0.000 0.000 0.282 474 K C 1.138 177.920 176.600 0.304 0.000 1.035 474 K CA -0.038 56.337 56.287 0.147 0.000 0.973 474 K CB 0.970 33.511 32.500 0.067 0.000 0.957 474 K HN -0.018 nan 8.250 nan 0.000 0.474 475 N N 2.524 121.372 118.700 0.247 0.000 2.007 475 N HA -0.171 4.569 4.740 -0.000 0.000 0.197 475 N C -0.140 175.472 175.510 0.169 0.000 1.050 475 N CA 1.487 54.676 53.050 0.231 0.000 0.856 475 N CB 0.114 38.690 38.487 0.147 0.000 1.050 475 N HN 0.369 nan 8.380 nan 0.000 0.423 476 R N 0.341 120.910 120.500 0.114 0.000 2.421 476 R HA 0.050 4.389 4.340 -0.000 0.000 0.305 476 R C -1.621 174.733 176.300 0.090 0.000 1.039 476 R CA -1.025 55.122 56.100 0.078 0.000 1.003 476 R CB 0.716 31.043 30.300 0.046 0.000 0.959 476 R HN 0.353 nan 8.270 nan 0.000 0.427 477 P HA -0.200 nan 4.420 nan 0.000 0.217 477 P C 0.799 178.128 177.300 0.048 0.000 1.151 477 P CA 0.972 64.125 63.100 0.088 0.000 0.828 477 P CB 0.143 31.883 31.700 0.067 0.000 0.788 478 E N 0.725 120.940 120.200 0.025 0.000 2.273 478 E HA -0.233 4.117 4.350 -0.000 0.000 0.198 478 E C 1.215 177.809 176.600 -0.010 0.000 1.002 478 E CA 1.267 57.669 56.400 0.003 0.000 0.828 478 E CB -0.946 28.752 29.700 -0.004 0.000 0.747 478 E HN 0.331 nan 8.360 nan 0.000 0.491 479 E N 0.839 121.040 120.200 0.001 0.000 2.435 479 E HA 0.055 4.405 4.350 -0.000 0.000 0.195 479 E C 0.403 176.984 176.600 -0.032 0.000 1.029 479 E CA 0.027 56.417 56.400 -0.015 0.000 0.865 479 E CB 0.153 29.854 29.700 0.003 0.000 0.833 479 E HN 0.297 nan 8.360 nan 0.000 0.510 480 R N 1.612 122.101 120.500 -0.017 0.000 2.582 480 R HA 0.190 4.530 4.340 -0.000 0.000 0.271 480 R C -2.228 174.019 176.300 -0.090 0.000 1.078 480 R CA -1.548 54.525 56.100 -0.045 0.000 1.127 480 R CB -0.048 30.251 30.300 -0.002 0.000 1.038 480 R HN -0.083 nan 8.270 nan 0.000 0.500 481 P HA 0.037 nan 4.420 nan 0.000 0.275 481 P C -0.478 176.731 177.300 -0.151 0.000 1.266 481 P CA -0.474 62.557 63.100 -0.115 0.000 0.793 481 P CB 0.456 32.160 31.700 0.006 0.000 1.074 482 T N -2.576 111.927 114.554 -0.085 0.000 2.913 482 T HA 0.273 4.623 4.350 -0.000 0.000 0.287 482 T C 0.831 175.464 174.700 -0.112 0.000 1.008 482 T CA -0.197 61.852 62.100 -0.084 0.000 1.067 482 T CB -0.115 68.761 68.868 0.014 0.000 0.996 482 T HN 0.063 nan 8.240 nan 0.000 0.513 483 F N 0.224 120.132 119.950 -0.070 0.000 2.269 483 F HA 0.038 4.565 4.527 -0.000 0.000 0.301 483 F C 2.590 178.321 175.800 -0.115 0.000 1.082 483 F CA 1.384 59.282 58.000 -0.171 0.000 1.360 483 F CB -0.455 38.417 39.000 -0.214 0.000 1.041 483 F HN 0.831 nan 8.300 nan 0.000 0.512 484 E N -0.438 119.841 120.200 0.132 0.000 2.085 484 E HA -0.306 4.044 4.350 -0.000 0.000 0.194 484 E C 2.209 178.857 176.600 0.080 0.000 0.994 484 E CA 1.502 57.954 56.400 0.086 0.000 0.801 484 E CB -0.440 29.309 29.700 0.081 0.000 0.743 484 E HN 0.526 nan 8.360 nan 0.000 0.453 485 Y N 1.050 121.333 120.300 -0.028 0.000 2.163 485 Y HA -0.121 4.429 4.550 -0.000 0.000 0.288 485 Y C 2.035 177.910 175.900 -0.041 0.000 1.136 485 Y CA 1.608 59.684 58.100 -0.039 0.000 1.147 485 Y CB -0.240 38.186 38.460 -0.057 0.000 0.987 485 Y HN 0.005 nan 8.280 nan 0.000 0.509 486 I N 0.445 120.928 120.570 -0.145 0.000 2.163 486 I HA -0.381 3.788 4.170 -0.000 0.000 0.243 486 I C 2.692 178.706 176.117 -0.172 0.000 1.085 486 I CA 1.947 63.121 61.300 -0.210 0.000 1.347 486 I CB -0.577 37.309 38.000 -0.191 0.000 1.044 486 I HN 0.370 nan 8.210 nan 0.000 0.408 487 Q N 0.868 120.606 119.800 -0.105 0.000 2.061 487 Q HA -0.256 4.083 4.340 -0.000 0.000 0.204 487 Q C 2.374 178.330 176.000 -0.074 0.000 0.984 487 Q CA 2.744 58.511 55.803 -0.060 0.000 0.846 487 Q CB -0.081 28.640 28.738 -0.029 0.000 0.902 487 Q HN 0.619 nan 8.270 nan 0.000 0.421 488 S N -0.710 114.925 115.700 -0.109 0.000 2.383 488 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 488 S C 1.971 176.482 174.600 -0.148 0.000 1.030 488 S CA 1.430 59.564 58.200 -0.110 0.000 1.002 488 S CB -0.620 62.521 63.200 -0.098 0.000 0.829 488 S HN 0.253 nan 8.310 nan 0.000 0.467 489 V N 2.021 121.775 119.914 -0.267 0.000 2.379 489 V HA -0.029 4.091 4.120 -0.000 0.000 0.245 489 V C 2.534 178.624 176.094 -0.005 0.000 1.044 489 V CA 1.601 63.776 62.300 -0.208 0.000 1.036 489 V CB -0.810 30.792 31.823 -0.367 0.000 0.664 489 V HN 0.452 nan 8.190 nan 0.000 0.453 490 L N -0.366 120.844 121.223 -0.022 0.000 2.093 490 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 490 L C 2.300 179.200 176.870 0.049 0.000 1.085 490 L CA 1.288 56.133 54.840 0.008 0.000 0.755 490 L CB -0.740 41.310 42.059 -0.016 0.000 0.904 490 L HN 0.281 nan 8.230 nan 0.000 0.435 491 D N 0.174 120.589 120.400 0.025 0.000 2.123 491 D HA -0.166 4.473 4.640 -0.000 0.000 0.196 491 D C 0.983 177.324 176.300 0.068 0.000 0.992 491 D CA 1.305 55.327 54.000 0.037 0.000 0.833 491 D CB -0.026 40.777 40.800 0.006 0.000 0.954 491 D HN 0.250 nan 8.370 nan 0.000 0.455 492 D N -1.163 119.271 120.400 0.057 0.000 2.696 492 D HA 0.032 4.672 4.640 -0.000 0.000 0.269 492 D C 1.010 177.339 176.300 0.048 0.000 1.319 492 D CA -0.367 53.665 54.000 0.053 0.000 0.826 492 D CB -0.126 40.673 40.800 -0.002 0.000 1.086 492 D HN 0.046 nan 8.370 nan 0.000 0.481 493 F N 0.419 120.302 119.950 -0.112 0.000 2.154 493 F HA -0.259 4.268 4.527 -0.000 0.000 0.301 493 F C 1.015 176.572 175.800 -0.406 0.000 1.087 493 F CA 1.641 59.459 58.000 -0.304 0.000 1.274 493 F CB 0.029 38.762 39.000 -0.446 0.000 1.009 493 F HN 0.067 nan 8.300 nan 0.000 0.485 494 Y N -1.322 119.007 120.300 0.049 0.000 2.555 494 Y HA 0.275 4.825 4.550 -0.000 0.000 0.259 494 Y C 0.085 175.961 175.900 -0.040 0.000 1.179 494 Y CA -0.209 57.879 58.100 -0.021 0.000 1.230 494 Y CB 0.029 38.515 38.460 0.044 0.000 1.146 494 Y HN -0.302 nan 8.280 nan 0.000 0.526 495 T N 1.029 115.615 114.554 0.054 0.000 2.864 495 T HA 0.612 4.962 4.350 -0.000 0.000 0.299 495 T C 0.012 174.697 174.700 -0.025 0.000 1.011 495 T CA -0.824 61.292 62.100 0.028 0.000 0.975 495 T CB 1.137 70.033 68.868 0.046 0.000 0.962 495 T HN 0.215 nan 8.240 nan 0.000 0.448 496 A N 2.973 125.774 122.820 -0.032 0.000 2.546 496 A HA 0.310 4.630 4.320 -0.000 0.000 0.243 496 A C 1.702 179.267 177.584 -0.031 0.000 1.063 496 A CA 0.008 52.020 52.037 -0.041 0.000 0.757 496 A CB -0.254 18.724 19.000 -0.037 0.000 0.991 496 A HN 0.877 nan 8.150 nan 0.000 0.503 497 T N 0.969 115.503 114.554 -0.034 0.000 2.680 497 T HA -0.202 4.147 4.350 -0.000 0.000 0.268 497 T C 1.677 176.362 174.700 -0.025 0.000 1.033 497 T CA 1.915 63.999 62.100 -0.028 0.000 1.152 497 T CB -0.141 68.713 68.868 -0.023 0.000 0.859 497 T HN 0.809 nan 8.240 nan 0.000 0.452 498 E N 0.572 120.758 120.200 -0.022 0.000 2.418 498 E HA -0.025 4.325 4.350 -0.000 0.000 0.197 498 E C 1.477 178.063 176.600 -0.022 0.000 1.026 498 E CA 0.452 56.840 56.400 -0.019 0.000 0.862 498 E CB -0.014 29.677 29.700 -0.016 0.000 0.799 498 E HN 0.396 nan 8.360 nan 0.000 0.518 499 S N 0.519 116.205 115.700 -0.023 0.000 2.556 499 S HA 0.102 4.572 4.470 -0.000 0.000 0.216 499 S C 0.496 175.082 174.600 -0.023 0.000 0.970 499 S CA -0.295 57.890 58.200 -0.025 0.000 0.912 499 S CB 0.397 63.586 63.200 -0.019 0.000 0.790 499 S HN 0.253 nan 8.310 nan 0.000 0.504 503 E N 1.234 121.441 120.200 0.012 0.000 2.176 503 E HA 0.729 5.079 4.350 -0.000 0.000 0.267 503 E C -0.426 176.239 176.600 0.108 0.000 0.893 503 E CA -0.732 55.706 56.400 0.063 0.000 0.761 503 E CB 2.264 31.990 29.700 0.045 0.000 1.133 503 E HN 0.368 nan 8.360 nan 0.000 0.409 504 I N 4.296 124.955 120.570 0.148 0.000 2.439 504 I HA 0.335 4.505 4.170 -0.000 0.000 0.283 504 I C -2.331 173.865 176.117 0.132 0.000 1.023 504 I CA -2.447 58.948 61.300 0.158 0.000 1.100 504 I CB 1.574 39.702 38.000 0.213 0.000 1.238 504 I HN 0.620 nan 8.210 nan 0.000 0.445 505 P HA 0.000 nan 4.420 nan 0.000 0.216 505 P CA 0.000 63.148 63.100 0.079 0.000 0.800 505 P CB 0.000 31.735 31.700 0.058 0.000 0.726