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 1rxx_1_A DATA FIRST_RESID 6 DATA SEQUENCE TKLGVHSEAG KLRKVXVCSP GLAHQRLTPS NCDELLFDDV IWVNQAKRDH DATA SEQUENCE FDFVTKXRER GIDVLEXHNL LTETIQNPEA LKWILDRKIT ADSVGLGLTS DATA SEQUENCE ELRSWLESLE PRKLAEYLIG GVAADDLPAS EGANILKXYR EYLGHSSFLL DATA SEQUENCE PPLPNTQFTR DTTCWIYGGV TLNPXYWPAR RQETLLTTAI YKFHPEFANA DATA SEQUENCE EFEIWYGDPD KDHGSSTLEG GDVXPIGNGV VLIGXGERSS RQAIGQVAQS DATA SEQUENCE LFAKGAAERV IVAGLPKXXA AXHLDTVFSF CDRDLVTVFP EVVKEIVPFS DATA SEQUENCE LRPDPSSPYG XNIRREEKTF LEVVAESLGL KKLRVVETGG NSFXXEREQW DATA SEQUENCE DDGNNVVCLE PGVVVGYDRN TYTNTLLRKA GVEVITISAS ELGRGRGGGH DATA SEQUENCE CXTCPIVRDP ID 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.701 174.700 0.001 0.000 1.109 6 T CA 0.000 62.097 62.100 -0.005 0.000 1.349 6 T CB 0.000 68.868 68.868 -0.001 0.000 0.612 7 K N 3.093 123.516 120.400 0.038 0.000 2.485 7 K HA 0.268 4.588 4.320 0.001 0.000 0.277 7 K C 0.612 177.247 176.600 0.058 0.000 0.990 7 K CA -0.246 56.081 56.287 0.067 0.000 0.994 7 K CB 0.279 32.848 32.500 0.115 0.000 0.906 7 K HN 0.477 nan 8.250 nan 0.000 0.488 8 L N 1.329 122.566 121.223 0.023 0.000 2.499 8 L HA 0.140 4.480 4.340 0.001 0.000 0.281 8 L C 0.884 177.772 176.870 0.030 0.000 1.234 8 L CA 0.358 55.133 54.840 -0.108 0.000 0.839 8 L CB 0.049 41.970 42.059 -0.230 0.000 1.104 8 L HN 0.915 nan 8.230 nan 0.000 0.500 9 G N 1.207 109.964 108.800 -0.072 0.000 2.307 9 G HA2 0.208 4.168 3.960 0.001 0.000 0.348 9 G HA3 0.208 4.168 3.960 0.001 0.000 0.348 9 G C -1.770 172.967 174.900 -0.271 0.000 1.603 9 G CA -0.941 44.149 45.100 -0.017 0.000 0.961 9 G HN 0.366 nan 8.290 nan 0.000 0.686 10 V N 3.297 123.013 119.914 -0.329 0.000 2.378 10 V HA 0.500 4.621 4.120 0.001 0.000 0.288 10 V C 0.224 176.048 176.094 -0.449 0.000 1.016 10 V CA -0.744 61.384 62.300 -0.287 0.000 0.840 10 V CB 1.480 33.266 31.823 -0.061 0.000 0.994 10 V HN 0.864 nan 8.190 nan 0.000 0.431 11 H N 2.629 121.747 119.070 0.081 0.000 2.594 11 H HA 0.383 4.940 4.556 0.001 0.000 0.279 11 H C 0.644 176.041 175.328 0.116 0.000 1.042 11 H CA 0.585 56.745 56.048 0.187 0.000 1.177 11 H CB 1.026 30.939 29.762 0.251 0.000 1.524 11 H HN 0.727 nan 8.280 nan 0.000 0.537 12 S N -0.853 114.879 115.700 0.054 0.000 2.660 12 S HA 0.165 4.636 4.470 0.001 0.000 0.264 12 S C 0.108 174.670 174.600 -0.064 0.000 1.131 12 S CA -0.806 57.383 58.200 -0.019 0.000 0.846 12 S CB 2.193 65.391 63.200 -0.003 0.000 1.151 12 S HN -0.033 nan 8.310 nan 0.000 0.486 13 E N -0.024 120.092 120.200 -0.139 0.000 2.340 13 E HA 0.341 4.691 4.350 0.001 0.000 0.198 13 E C 1.475 178.067 176.600 -0.014 0.000 0.961 13 E CA 0.994 57.360 56.400 -0.057 0.000 0.905 13 E CB 0.611 30.253 29.700 -0.097 0.000 0.884 13 E HN 0.715 nan 8.360 nan 0.000 0.491 14 A N 0.800 123.581 122.820 -0.065 0.000 2.343 14 A HA 0.377 4.697 4.320 0.001 0.000 0.223 14 A C 1.307 178.889 177.584 -0.002 0.000 1.214 14 A CA 0.429 52.459 52.037 -0.013 0.000 0.900 14 A CB 0.085 19.075 19.000 -0.016 0.000 0.942 14 A HN 0.131 nan 8.150 nan 0.000 0.507 15 G N 0.393 109.193 108.800 -0.001 0.000 2.716 15 G HA2 0.323 4.284 3.960 0.001 0.000 0.251 15 G HA3 0.323 4.284 3.960 0.001 0.000 0.251 15 G C -0.209 174.700 174.900 0.014 0.000 1.224 15 G CA -0.567 44.542 45.100 0.015 0.000 0.891 15 G HN 0.249 nan 8.290 nan 0.000 0.561 16 K N 0.189 120.596 120.400 0.013 0.000 2.436 16 K HA 0.041 4.361 4.320 0.001 0.000 0.282 16 K C -0.139 176.460 176.600 -0.002 0.000 1.044 16 K CA -0.368 55.921 56.287 0.003 0.000 1.028 16 K CB 1.228 33.727 32.500 -0.001 0.000 0.919 16 K HN 0.232 nan 8.250 nan 0.000 0.474 17 L N 3.850 125.065 121.223 -0.013 0.000 2.360 17 L HA 0.064 4.404 4.340 0.001 0.000 0.276 17 L C 1.008 177.852 176.870 -0.043 0.000 1.121 17 L CA 0.430 55.253 54.840 -0.027 0.000 0.845 17 L CB 0.564 42.605 42.059 -0.031 0.000 1.143 17 L HN 0.431 nan 8.230 nan 0.000 0.452 18 R N 2.681 123.149 120.500 -0.053 0.000 2.221 18 R HA 0.329 4.670 4.340 0.001 0.000 0.195 18 R C -0.297 175.950 176.300 -0.089 0.000 0.956 18 R CA 0.505 56.567 56.100 -0.064 0.000 1.064 18 R CB 0.211 30.477 30.300 -0.058 0.000 1.049 18 R HN 0.550 nan 8.270 nan 0.000 0.534 19 K N 0.358 120.691 120.400 -0.111 0.000 2.525 19 K HA 0.454 4.775 4.320 0.001 0.000 0.254 19 K C -1.359 175.162 176.600 -0.132 0.000 0.934 19 K CA -0.645 55.562 56.287 -0.134 0.000 0.802 19 K CB 1.860 34.251 32.500 -0.182 0.000 1.295 19 K HN -0.081 nan 8.250 nan 0.000 0.433 23 C N 1.441 120.851 119.300 0.183 0.000 2.551 23 C HA 0.812 5.272 4.460 0.001 0.000 0.332 23 C C 0.289 175.154 174.990 -0.209 0.000 1.139 23 C CA 0.555 59.608 59.018 0.058 0.000 1.328 23 C CB 0.695 28.439 27.740 0.007 0.000 1.903 23 C HN 1.755 nan 8.230 nan 0.000 0.459 24 S N 5.744 121.302 115.700 -0.237 0.000 2.564 24 S HA 0.505 4.976 4.470 0.001 0.000 0.278 24 S C -2.352 172.042 174.600 -0.343 0.000 1.333 24 S CA -0.454 57.373 58.200 -0.622 0.000 1.048 24 S CB 0.604 63.627 63.200 -0.295 0.000 0.900 24 S HN 0.724 nan 8.310 nan 0.000 0.505 25 P HA 0.376 nan 4.420 nan 0.000 0.268 25 P C 0.301 177.427 177.300 -0.290 0.000 1.208 25 P CA 0.050 62.800 63.100 -0.582 0.000 0.777 25 P CB 0.654 31.907 31.700 -0.744 0.000 0.875 26 G N 0.252 109.026 108.800 -0.043 0.000 2.726 26 G HA2 0.154 4.114 3.960 0.001 0.000 0.198 26 G HA3 0.154 4.114 3.960 0.001 0.000 0.198 26 G C 0.178 175.106 174.900 0.046 0.000 1.195 26 G CA -0.342 44.734 45.100 -0.041 0.000 0.951 26 G HN 0.483 nan 8.290 nan 0.000 0.532 27 L N 1.293 122.511 121.223 -0.008 0.000 2.051 27 L HA -0.002 4.338 4.340 0.001 0.000 0.214 27 L C 3.025 179.872 176.870 -0.038 0.000 1.076 27 L CA 3.487 58.312 54.840 -0.025 0.000 0.758 27 L CB -0.941 41.082 42.059 -0.060 0.000 0.890 27 L HN 0.779 nan 8.230 nan 0.000 0.433 28 A N -1.072 121.715 122.820 -0.056 0.000 1.892 28 A HA -0.286 4.034 4.320 0.001 0.000 0.218 28 A C 2.184 179.561 177.584 -0.344 0.000 1.188 28 A CA 2.082 53.971 52.037 -0.247 0.000 0.631 28 A CB -1.115 17.674 19.000 -0.350 0.000 0.822 28 A HN 0.775 nan 8.150 nan 0.000 0.447 29 H N -0.898 118.046 119.070 -0.210 0.000 2.462 29 H HA -0.041 4.516 4.556 0.001 0.000 0.292 29 H C 2.007 177.273 175.328 -0.103 0.000 1.049 29 H CA 1.313 57.232 56.048 -0.215 0.000 1.334 29 H CB -0.079 29.565 29.762 -0.196 0.000 1.404 29 H HN 0.686 nan 8.280 nan 0.000 0.544 30 Q N 0.784 120.609 119.800 0.042 0.000 2.291 30 Q HA -0.058 4.282 4.340 0.001 0.000 0.205 30 Q C 1.823 177.839 176.000 0.027 0.000 0.970 30 Q CA 0.684 56.512 55.803 0.042 0.000 0.876 30 Q CB 0.106 28.862 28.738 0.030 0.000 0.935 30 Q HN 0.428 nan 8.270 nan 0.000 0.455 31 R N -0.087 120.393 120.500 -0.033 0.000 2.297 31 R HA 0.141 4.482 4.340 0.001 0.000 0.197 31 R C 0.265 176.589 176.300 0.039 0.000 0.943 31 R CA -0.082 56.012 56.100 -0.010 0.000 1.038 31 R CB 0.083 30.256 30.300 -0.212 0.000 0.957 31 R HN 0.155 nan 8.270 nan 0.000 0.484 32 L N 0.814 122.033 121.223 -0.008 0.000 2.467 32 L HA 0.077 4.417 4.340 0.001 0.000 0.270 32 L C 0.415 177.334 176.870 0.081 0.000 1.205 32 L CA 0.689 55.544 54.840 0.025 0.000 0.828 32 L CB 0.818 42.878 42.059 0.001 0.000 1.101 32 L HN -0.063 nan 8.230 nan 0.000 0.479 33 T N 1.575 116.185 114.554 0.092 0.000 2.894 33 T HA 0.279 4.630 4.350 0.001 0.000 0.309 33 T C -2.128 172.619 174.700 0.077 0.000 1.208 33 T CA -0.830 61.320 62.100 0.084 0.000 1.016 33 T CB 2.210 71.131 68.868 0.088 0.000 1.192 33 T HN 0.240 nan 8.240 nan 0.000 0.491 34 P HA -0.071 nan 4.420 nan 0.000 0.219 34 P C 1.269 178.598 177.300 0.047 0.000 1.146 34 P CA 0.887 64.021 63.100 0.056 0.000 0.808 34 P CB 0.184 31.908 31.700 0.040 0.000 0.779 35 S N -1.250 114.475 115.700 0.042 0.000 2.503 35 S HA -0.015 4.455 4.470 0.001 0.000 0.217 35 S C 1.427 176.049 174.600 0.036 0.000 0.999 35 S CA 0.425 58.644 58.200 0.032 0.000 0.914 35 S CB -0.969 62.243 63.200 0.020 0.000 0.782 35 S HN 0.194 nan 8.310 nan 0.000 0.520 36 N N 0.386 119.122 118.700 0.059 0.000 2.236 36 N HA 0.186 4.926 4.740 0.001 0.000 0.196 36 N C 1.237 176.792 175.510 0.076 0.000 1.114 36 N CA -0.050 53.042 53.050 0.071 0.000 0.859 36 N CB -1.218 37.344 38.487 0.125 0.000 0.982 36 N HN 0.287 nan 8.380 nan 0.000 0.493 37 C N 1.196 120.545 119.300 0.081 0.000 2.359 37 C HA -0.181 4.280 4.460 0.001 0.000 0.277 37 C C 2.039 177.081 174.990 0.086 0.000 1.192 37 C CA 1.609 60.693 59.018 0.109 0.000 1.759 37 C CB -0.761 27.049 27.740 0.117 0.000 2.038 37 C HN 0.493 nan 8.230 nan 0.000 0.448 38 D N 0.165 120.589 120.400 0.041 0.000 2.133 38 D HA -0.158 4.482 4.640 0.001 0.000 0.195 38 D C 2.047 178.312 176.300 -0.058 0.000 0.997 38 D CA 1.768 55.763 54.000 -0.009 0.000 0.840 38 D CB -0.792 39.995 40.800 -0.021 0.000 0.947 38 D HN 0.817 nan 8.370 nan 0.000 0.452 39 E N 0.056 120.232 120.200 -0.039 0.000 2.274 39 E HA -0.122 4.229 4.350 0.001 0.000 0.194 39 E C 1.103 177.671 176.600 -0.053 0.000 0.996 39 E CA 0.451 56.809 56.400 -0.070 0.000 0.840 39 E CB -0.014 29.666 29.700 -0.034 0.000 0.772 39 E HN 0.112 nan 8.360 nan 0.000 0.491 40 L N 1.400 122.625 121.223 0.004 0.000 2.685 40 L HA 0.264 4.605 4.340 0.001 0.000 0.233 40 L C 0.209 177.114 176.870 0.059 0.000 1.173 40 L CA -0.081 54.772 54.840 0.021 0.000 0.961 40 L CB -0.859 41.212 42.059 0.021 0.000 1.217 40 L HN 0.242 nan 8.230 nan 0.000 0.478 41 L N -1.096 120.126 121.223 -0.003 0.000 3.762 41 L HA -0.277 4.064 4.340 0.001 0.000 0.460 41 L C -0.303 176.693 176.870 0.210 0.000 1.255 41 L CA 0.503 55.351 54.840 0.014 0.000 0.783 41 L CB -2.111 39.923 42.059 -0.041 0.000 1.600 41 L HN 0.106 nan 8.230 nan 0.000 0.862 42 F N -0.435 119.529 119.950 0.025 0.000 2.569 42 F HA 0.357 4.885 4.527 0.001 0.000 0.312 42 F C 1.312 177.156 175.800 0.074 0.000 1.109 42 F CA -0.772 57.277 58.000 0.082 0.000 0.919 42 F CB 1.295 40.339 39.000 0.073 0.000 1.211 42 F HN -0.052 nan 8.300 nan 0.000 0.446 43 D N 1.690 121.960 120.400 -0.217 0.000 2.123 43 D HA -0.117 4.524 4.640 0.001 0.000 0.196 43 D C 0.080 176.410 176.300 0.050 0.000 0.992 43 D CA 1.774 55.722 54.000 -0.088 0.000 0.833 43 D CB 0.265 40.966 40.800 -0.165 0.000 0.954 43 D HN 0.461 nan 8.370 nan 0.000 0.455 44 D N -1.729 118.771 120.400 0.167 0.000 2.725 44 D HA 0.089 4.730 4.640 0.001 0.000 0.292 44 D C -1.179 175.306 176.300 0.308 0.000 1.288 44 D CA -0.547 53.573 54.000 0.199 0.000 0.784 44 D CB 2.068 42.938 40.800 0.117 0.000 1.308 44 D HN -0.333 nan 8.370 nan 0.000 0.429 45 V N 2.451 122.492 119.914 0.212 0.000 2.508 45 V HA 0.268 4.388 4.120 0.001 0.000 0.281 45 V C 0.714 176.938 176.094 0.217 0.000 1.041 45 V CA -0.102 62.319 62.300 0.202 0.000 1.016 45 V CB 0.346 32.248 31.823 0.131 0.000 0.984 45 V HN 0.338 nan 8.190 nan 0.000 0.478 46 I N 1.276 122.000 120.570 0.256 0.000 2.750 46 I HA 0.528 4.698 4.170 0.001 0.000 0.308 46 I C -0.670 175.614 176.117 0.278 0.000 1.016 46 I CA -0.945 60.509 61.300 0.257 0.000 1.098 46 I CB 1.732 39.898 38.000 0.275 0.000 1.279 46 I HN 0.675 nan 8.210 nan 0.000 0.454 47 W N 5.728 127.063 121.300 0.057 0.000 2.581 47 W HA 0.375 5.035 4.660 0.001 0.000 0.359 47 W C 0.375 176.904 176.519 0.018 0.000 1.167 47 W CA -0.969 56.397 57.345 0.035 0.000 1.517 47 W CB -0.053 29.424 29.460 0.029 0.000 1.519 47 W HN 0.473 nan 8.180 nan 0.000 0.431 48 V N 5.169 125.223 119.914 0.233 0.000 2.287 48 V HA -0.401 3.720 4.120 0.001 0.000 0.248 48 V C 2.260 178.279 176.094 -0.126 0.000 1.053 48 V CA 2.324 64.639 62.300 0.026 0.000 1.027 48 V CB -0.671 31.188 31.823 0.060 0.000 0.646 48 V HN 0.517 nan 8.190 nan 0.000 0.447 49 N N -0.026 118.583 118.700 -0.152 0.000 2.166 49 N HA -0.194 4.547 4.740 0.001 0.000 0.186 49 N C 1.919 177.142 175.510 -0.478 0.000 1.019 49 N CA 1.481 54.373 53.050 -0.263 0.000 0.856 49 N CB -0.370 38.033 38.487 -0.140 0.000 0.993 49 N HN 0.542 nan 8.380 nan 0.000 0.426 50 Q N 0.838 120.087 119.800 -0.919 0.000 2.123 50 Q HA 0.160 4.500 4.340 0.001 0.000 0.199 50 Q C 1.816 177.599 176.000 -0.360 0.000 0.966 50 Q CA 1.355 56.657 55.803 -0.835 0.000 0.845 50 Q CB -0.411 27.546 28.738 -1.302 0.000 0.907 50 Q HN 0.314 nan 8.270 nan 0.000 0.439 51 A N 0.714 123.383 122.820 -0.251 0.000 1.902 51 A HA -0.200 4.121 4.320 0.001 0.000 0.217 51 A C 1.962 179.503 177.584 -0.071 0.000 1.181 51 A CA 1.649 53.620 52.037 -0.110 0.000 0.623 51 A CB -0.426 18.511 19.000 -0.106 0.000 0.818 51 A HN 0.351 nan 8.150 nan 0.000 0.443 52 K N -0.538 119.789 120.400 -0.122 0.000 2.057 52 K HA -0.120 4.200 4.320 0.001 0.000 0.207 52 K C 2.245 178.859 176.600 0.024 0.000 1.049 52 K CA 1.384 57.631 56.287 -0.067 0.000 0.931 52 K CB -0.224 32.194 32.500 -0.135 0.000 0.714 52 K HN 0.431 nan 8.250 nan 0.000 0.440 53 R N 0.886 121.362 120.500 -0.040 0.000 2.096 53 R HA -0.111 4.230 4.340 0.001 0.000 0.235 53 R C 1.727 178.086 176.300 0.099 0.000 1.127 53 R CA 1.366 57.486 56.100 0.033 0.000 0.968 53 R CB -0.183 30.080 30.300 -0.062 0.000 0.861 53 R HN 0.249 nan 8.270 nan 0.000 0.440 54 D N -0.534 119.899 120.400 0.055 0.000 2.149 54 D HA -0.125 4.515 4.640 0.001 0.000 0.201 54 D C 1.728 178.126 176.300 0.163 0.000 0.972 54 D CA 1.141 55.190 54.000 0.082 0.000 0.835 54 D CB -0.254 40.573 40.800 0.045 0.000 0.966 54 D HN 0.318 nan 8.370 nan 0.000 0.476 55 H N -0.017 119.124 119.070 0.119 0.000 2.353 55 H HA -0.083 4.474 4.556 0.001 0.000 0.300 55 H C 1.859 177.347 175.328 0.267 0.000 1.090 55 H CA 1.351 57.520 56.048 0.202 0.000 1.327 55 H CB -0.422 29.415 29.762 0.125 0.000 1.383 55 H HN 0.098 nan 8.280 nan 0.000 0.508 56 F N 0.177 120.197 119.950 0.118 0.000 2.216 56 F HA -0.176 4.351 4.527 0.001 0.000 0.300 56 F C 2.075 177.876 175.800 0.002 0.000 1.085 56 F CA 1.365 59.389 58.000 0.039 0.000 1.326 56 F CB 0.074 39.088 39.000 0.023 0.000 1.027 56 F HN 0.305 nan 8.300 nan 0.000 0.497 57 D N -0.212 120.176 120.400 -0.020 0.000 2.149 57 D HA -0.238 4.403 4.640 0.001 0.000 0.201 57 D C 2.021 178.285 176.300 -0.061 0.000 0.972 57 D CA 1.075 55.009 54.000 -0.110 0.000 0.835 57 D CB -0.369 40.428 40.800 -0.006 0.000 0.966 57 D HN 0.288 nan 8.370 nan 0.000 0.476 58 F N 0.768 120.616 119.950 -0.169 0.000 2.075 58 F HA -0.122 4.405 4.527 0.001 0.000 0.297 58 F C 2.087 177.758 175.800 -0.216 0.000 1.113 58 F CA 1.047 58.937 58.000 -0.183 0.000 1.218 58 F CB -0.838 38.023 39.000 -0.231 0.000 0.984 58 F HN -0.098 nan 8.300 nan 0.000 0.472 59 V N 0.122 119.776 119.914 -0.434 0.000 2.255 59 V HA -0.340 3.781 4.120 0.001 0.000 0.247 59 V C 2.394 178.261 176.094 -0.378 0.000 1.051 59 V CA 2.536 64.560 62.300 -0.460 0.000 1.018 59 V CB -1.214 30.504 31.823 -0.174 0.000 0.641 59 V HN 0.436 nan 8.190 nan 0.000 0.445 60 T N -0.805 113.490 114.554 -0.431 0.000 2.788 60 T HA -0.129 4.221 4.350 0.001 0.000 0.268 60 T C 1.074 175.615 174.700 -0.265 0.000 1.044 60 T CA 1.032 62.881 62.100 -0.418 0.000 1.139 60 T CB -0.113 68.381 68.868 -0.623 0.000 0.867 60 T HN 0.439 nan 8.240 nan 0.000 0.454 64 E N 1.354 121.486 120.200 -0.113 0.000 2.333 64 E HA -0.153 4.197 4.350 0.001 0.000 0.200 64 E C 0.928 177.486 176.600 -0.070 0.000 1.010 64 E CA 1.040 57.388 56.400 -0.087 0.000 0.841 64 E CB 0.036 29.682 29.700 -0.090 0.000 0.757 64 E HN 0.133 nan 8.360 nan 0.000 0.508 65 R N -0.969 119.486 120.500 -0.075 0.000 2.426 65 R HA 0.113 4.454 4.340 0.001 0.000 0.263 65 R C 0.974 177.241 176.300 -0.055 0.000 0.961 65 R CA 0.427 56.492 56.100 -0.059 0.000 1.086 65 R CB 0.802 31.068 30.300 -0.057 0.000 1.186 65 R HN 0.219 nan 8.270 nan 0.000 0.537 66 G N 1.143 109.908 108.800 -0.059 0.000 2.217 66 G HA2 -0.275 3.686 3.960 0.001 0.000 0.246 66 G HA3 -0.275 3.686 3.960 0.001 0.000 0.246 66 G C 0.294 175.157 174.900 -0.061 0.000 0.990 66 G CA -0.371 44.697 45.100 -0.053 0.000 0.627 66 G HN 0.246 nan 8.290 nan 0.000 0.522 67 I N 1.935 122.461 120.570 -0.074 0.000 2.618 67 I HA 0.216 4.387 4.170 0.001 0.000 0.284 67 I C 0.359 176.423 176.117 -0.088 0.000 1.146 67 I CA -0.290 60.960 61.300 -0.083 0.000 1.425 67 I CB 0.655 38.595 38.000 -0.100 0.000 1.383 67 I HN 0.072 nan 8.210 nan 0.000 0.562 68 D N 6.634 126.984 120.400 -0.084 0.000 2.317 68 D HA 0.236 4.877 4.640 0.001 0.000 0.252 68 D C -0.833 175.414 176.300 -0.088 0.000 1.174 68 D CA -0.026 53.926 54.000 -0.080 0.000 0.866 68 D CB 1.079 41.829 40.800 -0.084 0.000 1.127 68 D HN 0.102 nan 8.370 nan 0.000 0.467 69 V N 5.758 125.624 119.914 -0.079 0.000 2.350 69 V HA 0.271 4.392 4.120 0.001 0.000 0.285 69 V C 0.094 176.167 176.094 -0.035 0.000 1.014 69 V CA -0.779 61.474 62.300 -0.079 0.000 0.831 69 V CB 1.118 32.870 31.823 -0.118 0.000 1.000 69 V HN 0.442 nan 8.190 nan 0.000 0.433 70 L N 3.889 125.102 121.223 -0.017 0.000 2.292 70 L HA 0.601 4.941 4.340 0.001 0.000 0.284 70 L C 0.339 177.235 176.870 0.044 0.000 1.065 70 L CA -0.320 54.527 54.840 0.012 0.000 0.806 70 L CB 1.266 43.338 42.059 0.021 0.000 1.175 70 L HN 0.596 nan 8.230 nan 0.000 0.431 74 N N 1.188 119.953 118.700 0.109 0.000 2.106 74 N HA -0.038 4.702 4.740 0.001 0.000 0.188 74 N C 1.786 177.319 175.510 0.040 0.000 1.029 74 N CA 1.285 54.373 53.050 0.064 0.000 0.848 74 N CB -0.125 38.393 38.487 0.051 0.000 1.007 74 N HN 0.263 nan 8.380 nan 0.000 0.423 75 L N 0.700 121.910 121.223 -0.021 0.000 2.012 75 L HA -0.127 4.214 4.340 0.001 0.000 0.210 75 L C 2.370 179.239 176.870 -0.001 0.000 1.073 75 L CA 0.927 55.688 54.840 -0.132 0.000 0.748 75 L CB -0.476 41.469 42.059 -0.190 0.000 0.891 75 L HN 0.204 nan 8.230 nan 0.000 0.431 76 L N -0.530 120.688 121.223 -0.008 0.000 2.083 76 L HA -0.204 4.137 4.340 0.001 0.000 0.209 76 L C 2.500 179.395 176.870 0.042 0.000 1.083 76 L CA 1.613 56.458 54.840 0.009 0.000 0.752 76 L CB -0.384 41.646 42.059 -0.048 0.000 0.899 76 L HN 0.350 nan 8.230 nan 0.000 0.433 77 T N -0.786 113.798 114.554 0.050 0.000 2.821 77 T HA -0.183 4.167 4.350 0.001 0.000 0.267 77 T C 1.638 176.379 174.700 0.069 0.000 1.046 77 T CA 1.228 63.357 62.100 0.048 0.000 1.139 77 T CB 0.011 68.906 68.868 0.045 0.000 0.871 77 T HN 0.376 nan 8.240 nan 0.000 0.454 78 E N 0.485 120.758 120.200 0.122 0.000 2.047 78 E HA -0.085 4.265 4.350 0.001 0.000 0.191 78 E C 2.494 179.187 176.600 0.154 0.000 0.987 78 E CA 1.353 57.851 56.400 0.163 0.000 0.799 78 E CB -0.120 29.772 29.700 0.321 0.000 0.752 78 E HN 0.336 nan 8.360 nan 0.000 0.449 79 T N 2.030 116.721 114.554 0.229 0.000 2.607 79 T HA -0.199 4.151 4.350 0.001 0.000 0.267 79 T C 1.968 176.692 174.700 0.041 0.000 1.049 79 T CA 1.699 63.901 62.100 0.171 0.000 1.162 79 T CB -0.502 68.474 68.868 0.179 0.000 0.863 79 T HN 0.362 nan 8.240 nan 0.000 0.424 80 I N 0.075 120.657 120.570 0.020 0.000 3.241 80 I HA -0.038 4.132 4.170 0.001 0.000 0.280 80 I C 1.901 178.004 176.117 -0.024 0.000 1.320 80 I CA 1.037 62.323 61.300 -0.024 0.000 1.413 80 I CB -0.621 37.369 38.000 -0.016 0.000 1.060 80 I HN 0.229 nan 8.210 nan 0.000 0.500 81 Q N 1.292 121.090 119.800 -0.003 0.000 2.389 81 Q HA 0.038 4.379 4.340 0.001 0.000 0.204 81 Q C 0.536 176.528 176.000 -0.014 0.000 0.944 81 Q CA 0.108 55.907 55.803 -0.006 0.000 0.908 81 Q CB -0.120 28.623 28.738 0.008 0.000 1.002 81 Q HN 0.534 nan 8.270 nan 0.000 0.493 82 N N 1.552 120.238 118.700 -0.022 0.000 2.411 82 N HA 0.048 4.788 4.740 0.001 0.000 0.259 82 N C -2.172 173.297 175.510 -0.069 0.000 1.103 82 N CA -1.876 51.158 53.050 -0.027 0.000 0.954 82 N CB 1.448 39.931 38.487 -0.007 0.000 1.085 82 N HN -0.188 nan 8.380 nan 0.000 0.485 83 P HA -0.154 nan 4.420 nan 0.000 0.216 83 P C 0.873 178.136 177.300 -0.063 0.000 1.150 83 P CA 1.190 64.266 63.100 -0.041 0.000 0.837 83 P CB 0.297 31.989 31.700 -0.012 0.000 0.786 84 E N -0.327 119.838 120.200 -0.058 0.000 2.204 84 E HA -0.135 4.215 4.350 0.001 0.000 0.194 84 E C 1.782 178.177 176.600 -0.343 0.000 0.989 84 E CA 1.023 57.392 56.400 -0.053 0.000 0.824 84 E CB -0.431 29.330 29.700 0.102 0.000 0.756 84 E HN 0.105 nan 8.360 nan 0.000 0.477 85 A N 1.126 123.560 122.820 -0.643 0.000 1.975 85 A HA -0.000 4.320 4.320 0.001 0.000 0.215 85 A C 2.142 179.480 177.584 -0.409 0.000 1.170 85 A CA 0.335 51.659 52.037 -1.188 0.000 0.656 85 A CB -0.428 17.933 19.000 -1.065 0.000 0.821 85 A HN 0.382 nan 8.150 nan 0.000 0.449 86 L N -0.235 120.863 121.223 -0.208 0.000 1.994 86 L HA -0.201 4.140 4.340 0.001 0.000 0.208 86 L C 2.628 179.482 176.870 -0.026 0.000 1.071 86 L CA 2.347 57.140 54.840 -0.079 0.000 0.745 86 L CB -0.409 41.615 42.059 -0.058 0.000 0.892 86 L HN 0.544 nan 8.230 nan 0.000 0.431 87 K N -0.685 119.699 120.400 -0.028 0.000 2.044 87 K HA -0.306 4.015 4.320 0.001 0.000 0.210 87 K C 2.049 178.689 176.600 0.066 0.000 1.049 87 K CA 2.310 58.606 56.287 0.015 0.000 0.927 87 K CB -0.558 31.957 32.500 0.024 0.000 0.713 87 K HN 0.407 nan 8.250 nan 0.000 0.443 88 W N 1.394 122.616 121.300 -0.129 0.000 2.338 88 W HA -0.184 4.477 4.660 0.001 0.000 0.304 88 W C 1.585 178.085 176.519 -0.031 0.000 1.212 88 W CA 1.736 59.053 57.345 -0.048 0.000 1.264 88 W CB -0.090 29.346 29.460 -0.040 0.000 1.142 88 W HN 0.050 nan 8.180 nan 0.000 0.512 89 I N 0.118 120.861 120.570 0.290 0.000 2.163 89 I HA -0.328 3.842 4.170 0.001 0.000 0.240 89 I C 2.349 178.454 176.117 -0.020 0.000 1.081 89 I CA 1.355 62.753 61.300 0.162 0.000 1.353 89 I CB -0.794 37.312 38.000 0.178 0.000 1.054 89 I HN -0.031 nan 8.210 nan 0.000 0.407 90 L N 0.164 121.382 121.223 -0.008 0.000 2.201 90 L HA -0.200 4.140 4.340 0.001 0.000 0.212 90 L C 2.004 178.838 176.870 -0.059 0.000 1.105 90 L CA 0.942 55.766 54.840 -0.025 0.000 0.775 90 L CB -0.757 41.297 42.059 -0.009 0.000 0.913 90 L HN 0.252 nan 8.230 nan 0.000 0.440 91 D N 0.455 120.802 120.400 -0.088 0.000 2.149 91 D HA -0.152 4.489 4.640 0.001 0.000 0.198 91 D C 2.305 178.514 176.300 -0.152 0.000 0.990 91 D CA 1.247 55.181 54.000 -0.110 0.000 0.839 91 D CB -0.010 40.713 40.800 -0.129 0.000 0.948 91 D HN 0.282 nan 8.370 nan 0.000 0.460 92 R N -0.245 120.117 120.500 -0.231 0.000 2.254 92 R HA 0.125 4.466 4.340 0.001 0.000 0.195 92 R C 2.016 178.234 176.300 -0.138 0.000 0.957 92 R CA 0.404 56.362 56.100 -0.236 0.000 1.024 92 R CB 0.308 30.363 30.300 -0.409 0.000 0.952 92 R HN 0.043 nan 8.270 nan 0.000 0.484 93 K N 0.617 120.960 120.400 -0.096 0.000 2.308 93 K HA 0.164 4.484 4.320 0.001 0.000 0.197 93 K C -0.002 176.585 176.600 -0.022 0.000 1.049 93 K CA 0.369 56.629 56.287 -0.045 0.000 0.991 93 K CB 0.648 33.135 32.500 -0.021 0.000 0.836 93 K HN -0.010 nan 8.250 nan 0.000 0.500 94 I N 2.638 123.193 120.570 -0.024 0.000 2.371 94 I HA 0.140 4.311 4.170 0.001 0.000 0.282 94 I C -0.476 175.632 176.117 -0.015 0.000 1.031 94 I CA -0.559 60.736 61.300 -0.008 0.000 1.180 94 I CB 1.626 39.629 38.000 0.005 0.000 1.336 94 I HN 0.113 nan 8.210 nan 0.000 0.467 95 T N 1.419 115.966 114.554 -0.012 0.000 2.812 95 T HA 0.595 4.945 4.350 0.001 0.000 0.294 95 T C 0.827 175.524 174.700 -0.006 0.000 1.159 95 T CA -0.227 61.865 62.100 -0.014 0.000 1.008 95 T CB 1.834 70.688 68.868 -0.024 0.000 1.289 95 T HN 0.315 nan 8.240 nan 0.000 0.514 96 A N 0.334 123.150 122.820 -0.006 0.000 1.969 96 A HA 0.008 4.328 4.320 0.001 0.000 0.218 96 A C 1.795 179.379 177.584 0.000 0.000 1.169 96 A CA 1.706 53.742 52.037 -0.001 0.000 0.635 96 A CB -1.049 17.949 19.000 -0.002 0.000 0.810 96 A HN 0.851 nan 8.150 nan 0.000 0.445 97 D N -0.208 120.189 120.400 -0.005 0.000 2.183 97 D HA -0.095 4.546 4.640 0.001 0.000 0.203 97 D C 2.427 178.727 176.300 0.001 0.000 0.969 97 D CA 1.702 55.700 54.000 -0.003 0.000 0.842 97 D CB -0.149 40.646 40.800 -0.009 0.000 0.957 97 D HN 0.601 nan 8.370 nan 0.000 0.484 98 S N -0.789 114.912 115.700 0.001 0.000 2.421 98 S HA 0.019 4.490 4.470 0.001 0.000 0.224 98 S C 1.883 176.493 174.600 0.017 0.000 1.035 98 S CA 0.249 58.453 58.200 0.008 0.000 0.953 98 S CB 0.111 63.314 63.200 0.005 0.000 0.810 98 S HN 0.063 nan 8.310 nan 0.000 0.497 99 V N 0.755 120.679 119.914 0.016 0.000 3.570 99 V HA 0.497 4.618 4.120 0.001 0.000 0.257 99 V C 0.990 177.098 176.094 0.023 0.000 1.272 99 V CA 0.819 63.133 62.300 0.022 0.000 1.079 99 V CB -0.016 31.819 31.823 0.020 0.000 0.829 99 V HN 0.925 nan 8.190 nan 0.000 0.454 100 G N -0.564 108.247 108.800 0.018 0.000 2.770 100 G HA2 -0.121 3.839 3.960 0.001 0.000 0.686 100 G HA3 -0.121 3.839 3.960 0.001 0.000 0.686 100 G C 0.069 174.976 174.900 0.013 0.000 1.180 100 G CA -0.219 44.894 45.100 0.021 0.000 0.767 100 G HN 0.090 nan 8.290 nan 0.000 0.646 101 L N 1.097 122.326 121.223 0.011 0.000 2.089 101 L HA -0.061 4.279 4.340 0.001 0.000 0.213 101 L C 2.712 179.583 176.870 0.002 0.000 1.079 101 L CA 2.229 57.072 54.840 0.005 0.000 0.758 101 L CB -0.151 41.911 42.059 0.005 0.000 0.891 101 L HN 0.853 nan 8.230 nan 0.000 0.433 102 G N -1.704 107.097 108.800 0.001 0.000 3.448 102 G HA2 0.325 4.285 3.960 0.001 0.000 0.261 102 G HA3 0.325 4.285 3.960 0.001 0.000 0.261 102 G C 1.053 175.943 174.900 -0.015 0.000 1.173 102 G CA -0.222 44.872 45.100 -0.009 0.000 0.835 102 G HN 0.252 nan 8.290 nan 0.000 0.534 103 L N -0.414 120.804 121.223 -0.009 0.000 3.017 103 L HA 0.078 4.418 4.340 0.001 0.000 0.265 103 L C 2.847 179.716 176.870 -0.002 0.000 1.128 103 L CA 0.841 55.673 54.840 -0.013 0.000 0.984 103 L CB -0.033 42.018 42.059 -0.013 0.000 1.464 103 L HN 0.241 nan 8.230 nan 0.000 0.556 104 T N -1.380 113.176 114.554 0.004 0.000 2.607 104 T HA -0.245 4.105 4.350 0.001 0.000 0.267 104 T C 2.030 176.740 174.700 0.016 0.000 1.049 104 T CA 2.024 64.129 62.100 0.010 0.000 1.162 104 T CB -0.773 68.098 68.868 0.005 0.000 0.863 104 T HN 0.389 nan 8.240 nan 0.000 0.424 105 S N 2.798 118.505 115.700 0.011 0.000 2.355 105 S HA -0.185 4.285 4.470 0.001 0.000 0.222 105 S C 2.218 176.835 174.600 0.028 0.000 1.031 105 S CA 1.303 59.514 58.200 0.017 0.000 0.993 105 S CB -0.746 62.460 63.200 0.010 0.000 0.859 105 S HN 0.898 nan 8.310 nan 0.000 0.453 106 E N 1.494 121.705 120.200 0.019 0.000 2.110 106 E HA -0.103 4.247 4.350 0.001 0.000 0.193 106 E C 2.195 178.834 176.600 0.065 0.000 0.988 106 E CA 1.021 57.438 56.400 0.027 0.000 0.804 106 E CB -0.461 29.233 29.700 -0.011 0.000 0.745 106 E HN 0.494 nan 8.360 nan 0.000 0.458 107 L N 1.036 122.291 121.223 0.053 0.000 2.056 107 L HA -0.086 4.255 4.340 0.001 0.000 0.207 107 L C 2.761 179.726 176.870 0.158 0.000 1.078 107 L CA 1.775 56.679 54.840 0.106 0.000 0.749 107 L CB -0.406 41.688 42.059 0.058 0.000 0.901 107 L HN 0.184 nan 8.230 nan 0.000 0.433 108 R N -0.698 119.857 120.500 0.091 0.000 2.092 108 R HA -0.114 4.227 4.340 0.001 0.000 0.231 108 R C 2.313 178.656 176.300 0.072 0.000 1.119 108 R CA 1.680 57.820 56.100 0.067 0.000 0.970 108 R CB -0.033 30.288 30.300 0.035 0.000 0.864 108 R HN 0.273 nan 8.270 nan 0.000 0.440 109 S N -0.190 115.561 115.700 0.086 0.000 2.368 109 S HA -0.160 4.311 4.470 0.001 0.000 0.224 109 S C 1.154 175.828 174.600 0.123 0.000 1.029 109 S CA 1.199 59.448 58.200 0.081 0.000 0.988 109 S CB -0.369 62.874 63.200 0.072 0.000 0.838 109 S HN 0.571 nan 8.310 nan 0.000 0.462 110 W N 2.423 123.703 121.300 -0.032 0.000 2.379 110 W HA -0.032 4.628 4.660 0.001 0.000 0.307 110 W C 1.593 178.090 176.519 -0.037 0.000 1.200 110 W CA 0.970 58.291 57.345 -0.040 0.000 1.297 110 W CB -0.567 28.854 29.460 -0.065 0.000 1.140 110 W HN 0.171 nan 8.180 nan 0.000 0.507 111 L N 0.535 121.717 121.223 -0.068 0.000 1.989 111 L HA -0.242 4.099 4.340 0.001 0.000 0.211 111 L C 2.362 179.088 176.870 -0.241 0.000 1.071 111 L CA 2.023 56.677 54.840 -0.309 0.000 0.749 111 L CB -1.041 40.972 42.059 -0.076 0.000 0.890 111 L HN 0.009 nan 8.230 nan 0.000 0.431 112 E N -0.475 119.659 120.200 -0.109 0.000 2.401 112 E HA -0.170 4.181 4.350 0.001 0.000 0.199 112 E C 1.957 178.499 176.600 -0.097 0.000 1.023 112 E CA 1.140 57.491 56.400 -0.081 0.000 0.859 112 E CB -0.004 29.676 29.700 -0.034 0.000 0.780 112 E HN 0.452 nan 8.360 nan 0.000 0.523 113 S N -0.197 115.421 115.700 -0.137 0.000 2.575 113 S HA 0.109 4.580 4.470 0.001 0.000 0.215 113 S C 0.641 175.138 174.600 -0.171 0.000 0.966 113 S CA -0.376 57.755 58.200 -0.115 0.000 0.911 113 S CB 0.054 63.216 63.200 -0.063 0.000 0.780 113 S HN 0.014 nan 8.310 nan 0.000 0.514 114 L N 1.704 122.773 121.223 -0.257 0.000 2.421 114 L HA 0.484 4.825 4.340 0.001 0.000 0.263 114 L C 0.529 177.323 176.870 -0.127 0.000 1.122 114 L CA -0.866 53.831 54.840 -0.238 0.000 0.804 114 L CB 0.525 42.376 42.059 -0.347 0.000 1.150 114 L HN 0.162 nan 8.230 nan 0.000 0.457 115 E N 1.786 121.933 120.200 -0.089 0.000 2.360 115 E HA 0.083 4.433 4.350 0.001 0.000 0.269 115 E C -1.630 174.938 176.600 -0.052 0.000 1.022 115 E CA -1.653 54.714 56.400 -0.056 0.000 0.887 115 E CB 1.170 30.846 29.700 -0.040 0.000 0.990 115 E HN 0.301 nan 8.360 nan 0.000 0.426 116 P HA -0.261 nan 4.420 nan 0.000 0.218 116 P C 1.298 178.587 177.300 -0.019 0.000 1.165 116 P CA 1.743 64.828 63.100 -0.025 0.000 0.922 116 P CB 0.206 31.899 31.700 -0.011 0.000 0.794 117 R N 0.355 120.843 120.500 -0.021 0.000 2.083 117 R HA -0.146 4.195 4.340 0.001 0.000 0.237 117 R C 2.216 178.488 176.300 -0.046 0.000 1.137 117 R CA 1.991 58.078 56.100 -0.023 0.000 0.951 117 R CB -1.153 29.126 30.300 -0.034 0.000 0.851 117 R HN 0.059 nan 8.270 nan 0.000 0.434 118 K N -0.248 120.112 120.400 -0.066 0.000 2.057 118 K HA -0.072 4.249 4.320 0.001 0.000 0.206 118 K C 2.052 178.616 176.600 -0.059 0.000 1.050 118 K CA 1.335 57.555 56.287 -0.112 0.000 0.935 118 K CB -0.257 32.202 32.500 -0.069 0.000 0.715 118 K HN 0.233 nan 8.250 nan 0.000 0.439 119 L N 0.332 121.545 121.223 -0.017 0.000 2.079 119 L HA -0.176 4.164 4.340 0.001 0.000 0.210 119 L C 2.238 179.135 176.870 0.044 0.000 1.081 119 L CA 1.667 56.514 54.840 0.013 0.000 0.752 119 L CB -0.435 41.597 42.059 -0.046 0.000 0.896 119 L HN 0.312 nan 8.230 nan 0.000 0.433 120 A N -0.754 122.077 122.820 0.018 0.000 1.968 120 A HA -0.206 4.115 4.320 0.001 0.000 0.217 120 A C 1.998 179.612 177.584 0.049 0.000 1.169 120 A CA 1.269 53.322 52.037 0.027 0.000 0.638 120 A CB -0.326 18.692 19.000 0.030 0.000 0.812 120 A HN 0.480 nan 8.150 nan 0.000 0.446 121 E N -1.413 118.805 120.200 0.030 0.000 2.150 121 E HA -0.166 4.185 4.350 0.001 0.000 0.193 121 E C 1.522 178.114 176.600 -0.013 0.000 0.985 121 E CA 1.228 57.636 56.400 0.013 0.000 0.814 121 E CB -0.214 29.388 29.700 -0.165 0.000 0.752 121 E HN 0.756 nan 8.360 nan 0.000 0.466 122 Y N 0.127 120.443 120.300 0.027 0.000 2.314 122 Y HA -0.056 4.495 4.550 0.001 0.000 0.293 122 Y C 1.866 177.779 175.900 0.021 0.000 1.129 122 Y CA 0.642 58.766 58.100 0.039 0.000 1.201 122 Y CB -0.107 38.384 38.460 0.052 0.000 0.999 122 Y HN 0.032 nan 8.280 nan 0.000 0.541 123 L N -0.983 120.332 121.223 0.153 0.000 2.093 123 L HA -0.195 4.146 4.340 0.001 0.000 0.208 123 L C 1.959 178.846 176.870 0.028 0.000 1.085 123 L CA 1.357 56.241 54.840 0.074 0.000 0.755 123 L CB -0.403 41.678 42.059 0.036 0.000 0.904 123 L HN 0.199 nan 8.230 nan 0.000 0.435 124 I N -0.881 119.689 120.570 -0.001 0.000 2.703 124 I HA -0.032 4.139 4.170 0.001 0.000 0.259 124 I C 2.221 178.320 176.117 -0.031 0.000 1.151 124 I CA 0.904 62.175 61.300 -0.048 0.000 1.470 124 I CB -0.232 37.682 38.000 -0.143 0.000 1.112 124 I HN 0.181 nan 8.210 nan 0.000 0.437 125 G N 0.347 109.154 108.800 0.012 0.000 3.042 125 G HA2 0.406 4.367 3.960 0.001 0.000 0.212 125 G HA3 0.406 4.367 3.960 0.001 0.000 0.212 125 G C 0.800 175.668 174.900 -0.053 0.000 1.166 125 G CA 0.428 45.513 45.100 -0.026 0.000 0.767 125 G HN 0.524 nan 8.290 nan 0.000 0.546 126 G N -1.409 107.394 108.800 0.004 0.000 2.781 126 G HA2 0.053 4.014 3.960 0.001 0.000 0.683 126 G HA3 0.053 4.014 3.960 0.001 0.000 0.683 126 G C -0.821 174.147 174.900 0.113 0.000 1.390 126 G CA -0.400 44.685 45.100 -0.024 0.000 0.850 126 G HN 0.891 nan 8.290 nan 0.000 0.557 127 V N 0.855 120.824 119.914 0.092 0.000 2.577 127 V HA 0.789 4.910 4.120 0.001 0.000 0.303 127 V C 0.768 176.950 176.094 0.147 0.000 1.042 127 V CA -0.034 62.327 62.300 0.102 0.000 0.872 127 V CB 1.265 33.122 31.823 0.057 0.000 0.998 127 V HN 2.095 nan 8.190 nan 0.000 0.423 128 A N 3.249 126.162 122.820 0.155 0.000 2.282 128 A HA 0.838 5.159 4.320 0.001 0.000 0.319 128 A C 1.383 178.967 177.584 -0.000 0.000 1.121 128 A CA 0.171 52.334 52.037 0.210 0.000 0.836 128 A CB 1.255 20.416 19.000 0.270 0.000 1.146 128 A HN 1.349 nan 8.150 nan 0.000 0.494 129 A N 0.490 123.300 122.820 -0.016 0.000 1.948 129 A HA -0.184 4.136 4.320 0.001 0.000 0.220 129 A C 1.395 178.900 177.584 -0.133 0.000 1.177 129 A CA 2.146 54.128 52.037 -0.091 0.000 0.636 129 A CB -0.660 18.296 19.000 -0.073 0.000 0.815 129 A HN 0.813 nan 8.150 nan 0.000 0.449 130 D N 0.332 120.684 120.400 -0.079 0.000 2.218 130 D HA -0.125 4.516 4.640 0.001 0.000 0.204 130 D C 0.773 176.993 176.300 -0.133 0.000 0.976 130 D CA 1.265 55.218 54.000 -0.079 0.000 0.853 130 D CB -0.398 40.393 40.800 -0.015 0.000 0.939 130 D HN 0.458 nan 8.370 nan 0.000 0.481 131 D N 0.485 120.768 120.400 -0.195 0.000 2.312 131 D HA 0.008 4.649 4.640 0.001 0.000 0.211 131 D C 1.165 177.032 176.300 -0.722 0.000 0.964 131 D CA 0.199 54.008 54.000 -0.319 0.000 0.877 131 D CB 0.393 41.001 40.800 -0.320 0.000 0.924 131 D HN 0.258 nan 8.370 nan 0.000 0.515 132 L N 1.121 121.911 121.223 -0.723 0.000 2.466 132 L HA 0.248 4.589 4.340 0.001 0.000 0.257 132 L C -1.893 174.688 176.870 -0.482 0.000 1.189 132 L CA -1.732 52.596 54.840 -0.853 0.000 0.813 132 L CB -0.185 41.530 42.059 -0.574 0.000 1.118 132 L HN -0.303 nan 8.230 nan 0.000 0.471 133 P HA 0.100 nan 4.420 nan 0.000 0.272 133 P C -0.700 176.510 177.300 -0.151 0.000 1.223 133 P CA -0.309 62.685 63.100 -0.176 0.000 0.784 133 P CB 0.633 32.284 31.700 -0.082 0.000 0.923 134 A N 2.294 125.055 122.820 -0.099 0.000 2.561 134 A HA 0.447 4.768 4.320 0.001 0.000 0.234 134 A C 0.497 178.032 177.584 -0.082 0.000 1.055 134 A CA 1.049 53.033 52.037 -0.087 0.000 0.756 134 A CB -0.661 18.303 19.000 -0.060 0.000 0.986 134 A HN 0.671 nan 8.150 nan 0.000 0.505 135 S N 0.277 115.926 115.700 -0.086 0.000 2.645 135 S HA 0.294 4.765 4.470 0.001 0.000 0.268 135 S C 0.328 174.878 174.600 -0.083 0.000 1.110 135 S CA 0.122 58.276 58.200 -0.076 0.000 0.823 135 S CB 0.365 63.518 63.200 -0.078 0.000 1.091 135 S HN 0.688 nan 8.310 nan 0.000 0.466 136 E N 0.751 120.907 120.200 -0.074 0.000 2.023 136 E HA -0.034 4.317 4.350 0.001 0.000 0.196 136 E C 2.096 178.633 176.600 -0.105 0.000 1.003 136 E CA 1.801 58.151 56.400 -0.083 0.000 0.809 136 E CB -0.944 28.715 29.700 -0.068 0.000 0.755 136 E HN 0.783 nan 8.360 nan 0.000 0.449 137 G N 0.563 109.307 108.800 -0.093 0.000 2.469 137 G HA2 -0.316 3.645 3.960 0.001 0.000 0.219 137 G HA3 -0.316 3.645 3.960 0.001 0.000 0.219 137 G C 1.610 176.434 174.900 -0.127 0.000 1.150 137 G CA 1.099 46.138 45.100 -0.102 0.000 0.763 137 G HN 0.403 nan 8.290 nan 0.000 0.561 138 A N 0.915 123.662 122.820 -0.123 0.000 1.969 138 A HA -0.044 4.277 4.320 0.001 0.000 0.218 138 A C 2.267 179.766 177.584 -0.142 0.000 1.169 138 A CA 1.747 53.704 52.037 -0.134 0.000 0.635 138 A CB -0.355 18.558 19.000 -0.147 0.000 0.810 138 A HN 0.344 nan 8.150 nan 0.000 0.445 139 N N 0.660 119.277 118.700 -0.139 0.000 2.244 139 N HA -0.119 4.621 4.740 0.001 0.000 0.183 139 N C 1.756 177.143 175.510 -0.204 0.000 1.016 139 N CA 1.673 54.639 53.050 -0.141 0.000 0.866 139 N CB -0.485 37.933 38.487 -0.116 0.000 0.980 139 N HN 0.774 nan 8.380 nan 0.000 0.430 140 I N -1.747 118.661 120.570 -0.271 0.000 2.394 140 I HA -0.132 4.038 4.170 0.001 0.000 0.251 140 I C 1.911 177.636 176.117 -0.653 0.000 1.136 140 I CA 0.943 61.959 61.300 -0.473 0.000 1.425 140 I CB -0.635 37.066 38.000 -0.498 0.000 1.079 140 I HN -0.030 nan 8.210 nan 0.000 0.425 141 L N 1.126 122.118 121.223 -0.385 0.000 2.017 141 L HA -0.089 4.252 4.340 0.001 0.000 0.208 141 L C 1.773 178.580 176.870 -0.106 0.000 1.073 141 L CA 1.345 56.063 54.840 -0.203 0.000 0.745 141 L CB -0.580 41.431 42.059 -0.080 0.000 0.894 141 L HN 0.254 nan 8.230 nan 0.000 0.432 145 R N 1.159 121.736 120.500 0.129 0.000 2.090 145 R HA -0.125 4.216 4.340 0.001 0.000 0.228 145 R C 1.695 178.024 176.300 0.048 0.000 1.110 145 R CA 2.123 58.266 56.100 0.072 0.000 0.973 145 R CB 0.201 30.512 30.300 0.018 0.000 0.869 145 R HN 0.207 nan 8.270 nan 0.000 0.440 146 E N -0.321 119.927 120.200 0.080 0.000 2.021 146 E HA -0.120 4.231 4.350 0.001 0.000 0.189 146 E C 1.510 178.155 176.600 0.074 0.000 0.980 146 E CA 1.377 57.822 56.400 0.074 0.000 0.803 146 E CB -0.321 29.449 29.700 0.117 0.000 0.766 146 E HN 0.345 nan 8.360 nan 0.000 0.449 147 Y N -0.307 119.970 120.300 -0.039 0.000 2.457 147 Y HA 0.110 4.660 4.550 0.001 0.000 0.292 147 Y C 1.705 177.559 175.900 -0.077 0.000 1.125 147 Y CA 0.879 58.952 58.100 -0.046 0.000 1.254 147 Y CB 0.295 38.736 38.460 -0.032 0.000 1.012 147 Y HN 0.049 nan 8.280 nan 0.000 0.555 148 L N -2.523 118.714 121.223 0.023 0.000 2.781 148 L HA 0.357 4.698 4.340 0.001 0.000 0.245 148 L C 1.439 178.294 176.870 -0.025 0.000 1.118 148 L CA 0.487 55.267 54.840 -0.099 0.000 0.918 148 L CB 0.334 42.126 42.059 -0.444 0.000 1.246 148 L HN 0.164 nan 8.230 nan 0.000 0.526 149 G N 0.295 109.100 108.800 0.008 0.000 2.160 149 G HA2 -0.256 3.704 3.960 0.001 0.000 0.244 149 G HA3 -0.256 3.704 3.960 0.001 0.000 0.244 149 G C -0.059 174.913 174.900 0.119 0.000 1.022 149 G CA -0.109 45.017 45.100 0.044 0.000 0.741 149 G HN 0.327 nan 8.290 nan 0.000 0.508 150 H N 1.019 120.079 119.070 -0.017 0.000 2.707 150 H HA 0.501 5.058 4.556 0.001 0.000 0.359 150 H C 1.391 176.665 175.328 -0.090 0.000 1.113 150 H CA -0.061 55.962 56.048 -0.041 0.000 1.422 150 H CB 1.027 30.786 29.762 -0.005 0.000 1.443 150 H HN 0.511 nan 8.280 nan 0.000 0.591 151 S N 0.860 116.528 115.700 -0.052 0.000 2.560 151 S HA 0.018 4.489 4.470 0.001 0.000 0.284 151 S C 0.888 175.321 174.600 -0.279 0.000 1.327 151 S CA -0.103 57.952 58.200 -0.242 0.000 1.055 151 S CB 0.513 63.566 63.200 -0.245 0.000 0.868 151 S HN 0.621 nan 8.310 nan 0.000 0.506 152 S N 0.602 115.987 115.700 -0.526 0.000 2.605 152 S HA 0.240 4.711 4.470 0.001 0.000 0.217 152 S C -0.275 174.194 174.600 -0.219 0.000 0.958 152 S CA -0.581 57.431 58.200 -0.314 0.000 0.919 152 S CB -0.546 62.520 63.200 -0.223 0.000 0.780 152 S HN 0.598 nan 8.310 nan 0.000 0.507 153 F N 2.516 122.479 119.950 0.022 0.000 2.462 153 F HA 0.348 4.876 4.527 0.001 0.000 0.360 153 F C 1.179 176.984 175.800 0.009 0.000 1.134 153 F CA -2.145 55.862 58.000 0.012 0.000 1.148 153 F CB -0.005 39.002 39.000 0.012 0.000 1.147 153 F HN 0.039 nan 8.300 nan 0.000 0.550 154 L N 3.047 124.378 121.223 0.180 0.000 2.017 154 L HA -0.046 4.295 4.340 0.001 0.000 0.208 154 L C 0.481 177.414 176.870 0.104 0.000 1.073 154 L CA 1.723 56.620 54.840 0.094 0.000 0.745 154 L CB -0.467 41.616 42.059 0.039 0.000 0.894 154 L HN 0.332 nan 8.230 nan 0.000 0.432 155 L N 0.473 121.769 121.223 0.123 0.000 2.342 155 L HA 0.448 4.789 4.340 0.001 0.000 0.276 155 L C -2.248 174.668 176.870 0.077 0.000 0.997 155 L CA -2.196 52.696 54.840 0.088 0.000 0.838 155 L CB 1.098 43.203 42.059 0.076 0.000 1.224 155 L HN -0.087 nan 8.230 nan 0.000 0.416 156 P HA 0.196 nan 4.420 nan 0.000 0.269 156 P C -2.528 174.710 177.300 -0.104 0.000 1.209 156 P CA -0.912 62.199 63.100 0.018 0.000 0.776 156 P CB -0.121 31.617 31.700 0.063 0.000 0.876 157 P HA 0.171 nan 4.420 nan 0.000 0.274 157 P C -0.694 176.496 177.300 -0.184 0.000 1.237 157 P CA 0.117 63.056 63.100 -0.268 0.000 0.793 157 P CB 0.749 32.184 31.700 -0.442 0.000 0.977 158 L N 2.458 123.578 121.223 -0.173 0.000 2.637 158 L HA 0.261 4.602 4.340 0.001 0.000 0.241 158 L C -1.319 175.436 176.870 -0.191 0.000 1.398 158 L CA -1.502 53.267 54.840 -0.119 0.000 0.895 158 L CB 1.300 43.328 42.059 -0.051 0.000 1.183 158 L HN 0.209 nan 8.230 nan 0.000 0.497 159 P HA -0.181 nan 4.420 nan 0.000 0.220 159 P C 0.710 177.899 177.300 -0.186 0.000 1.144 159 P CA 1.257 63.857 63.100 -0.833 0.000 0.800 159 P CB 0.270 31.114 31.700 -1.426 0.000 0.772 160 N N -0.348 118.434 118.700 0.136 0.000 2.550 160 N HA -0.052 4.689 4.740 0.001 0.000 0.186 160 N C 1.571 177.233 175.510 0.253 0.000 1.110 160 N CA 1.376 54.676 53.050 0.418 0.000 0.912 160 N CB -0.555 38.198 38.487 0.444 0.000 0.968 160 N HN 0.334 nan 8.380 nan 0.000 0.448 161 T N -0.917 113.698 114.554 0.103 0.000 2.822 161 T HA -0.269 4.081 4.350 0.001 0.000 0.270 161 T C 1.738 176.454 174.700 0.026 0.000 1.064 161 T CA 1.163 63.296 62.100 0.055 0.000 1.131 161 T CB -0.338 68.523 68.868 -0.012 0.000 0.858 161 T HN 0.311 nan 8.240 nan 0.000 0.483 162 Q N 0.558 120.331 119.800 -0.046 0.000 2.248 162 Q HA -0.118 4.223 4.340 0.001 0.000 0.208 162 Q C -0.166 175.658 176.000 -0.293 0.000 0.984 162 Q CA 1.027 56.684 55.803 -0.244 0.000 0.875 162 Q CB -0.326 28.161 28.738 -0.419 0.000 0.910 162 Q HN 0.650 nan 8.270 nan 0.000 0.433 163 F N 1.339 121.401 119.950 0.185 0.000 2.395 163 F HA 0.193 4.721 4.527 0.001 0.000 0.347 163 F C 1.348 177.212 175.800 0.108 0.000 1.157 163 F CA -0.056 58.030 58.000 0.144 0.000 1.272 163 F CB 0.380 39.456 39.000 0.125 0.000 1.607 163 F HN 0.019 nan 8.300 nan 0.000 0.571 164 T N -2.442 112.241 114.554 0.215 0.000 2.897 164 T HA -0.290 4.061 4.350 0.001 0.000 0.271 164 T C 2.182 176.973 174.700 0.151 0.000 1.084 164 T CA 1.278 63.471 62.100 0.155 0.000 1.123 164 T CB -0.178 68.772 68.868 0.137 0.000 0.865 164 T HN 0.340 nan 8.240 nan 0.000 0.496 165 R N 1.800 122.392 120.500 0.154 0.000 2.120 165 R HA -0.086 4.255 4.340 0.001 0.000 0.234 165 R C 1.686 178.039 176.300 0.088 0.000 1.123 165 R CA 1.604 57.761 56.100 0.094 0.000 0.975 165 R CB -0.777 29.547 30.300 0.040 0.000 0.866 165 R HN 0.365 nan 8.270 nan 0.000 0.446 166 D N -0.761 119.703 120.400 0.107 0.000 2.084 166 D HA -0.138 4.502 4.640 0.001 0.000 0.194 166 D C 1.714 178.068 176.300 0.090 0.000 0.990 166 D CA 2.362 56.410 54.000 0.080 0.000 0.826 166 D CB -0.506 40.369 40.800 0.125 0.000 0.971 166 D HN 0.502 nan 8.370 nan 0.000 0.453 167 T N -2.629 111.980 114.554 0.092 0.000 3.067 167 T HA 0.059 4.409 4.350 0.001 0.000 0.261 167 T C 0.872 175.604 174.700 0.053 0.000 1.110 167 T CA 0.622 62.763 62.100 0.067 0.000 1.113 167 T CB -0.100 68.796 68.868 0.046 0.000 0.917 167 T HN 0.192 nan 8.240 nan 0.000 0.499 168 T N -0.800 113.801 114.554 0.079 0.000 3.041 168 T HA 0.557 4.908 4.350 0.001 0.000 0.321 168 T C -1.161 173.593 174.700 0.090 0.000 1.184 168 T CA -0.978 61.172 62.100 0.082 0.000 1.050 168 T CB 1.029 70.000 68.868 0.172 0.000 1.159 168 T HN 0.241 nan 8.240 nan 0.000 0.469 169 C N 2.882 122.183 119.300 0.001 0.000 2.369 169 C HA 0.643 5.104 4.460 0.001 0.000 0.322 169 C C -0.589 174.332 174.990 -0.116 0.000 1.258 169 C CA -1.023 58.011 59.018 0.026 0.000 1.487 169 C CB -0.439 27.335 27.740 0.057 0.000 2.165 169 C HN 0.946 nan 8.230 nan 0.000 0.483 170 W N 3.590 124.906 121.300 0.027 0.000 2.358 170 W HA 0.627 5.288 4.660 0.001 0.000 0.307 170 W C -0.042 176.480 176.519 0.004 0.000 1.203 170 W CA -0.505 56.840 57.345 0.000 0.000 1.279 170 W CB 0.424 29.837 29.460 -0.080 0.000 1.264 170 W HN 0.440 nan 8.180 nan 0.000 0.474 171 I N 5.549 126.255 120.570 0.226 0.000 2.437 171 I HA 0.122 4.293 4.170 0.001 0.000 0.279 171 I C -0.741 175.513 176.117 0.230 0.000 1.028 171 I CA -1.244 60.077 61.300 0.035 0.000 1.142 171 I CB 0.351 38.306 38.000 -0.075 0.000 1.266 171 I HN 0.534 nan 8.210 nan 0.000 0.461 172 Y N 3.998 124.384 120.300 0.144 0.000 3.305 172 Y HA -0.250 4.301 4.550 0.001 0.000 0.212 172 Y C 1.336 177.449 175.900 0.354 0.000 1.248 172 Y CA 0.743 58.932 58.100 0.148 0.000 1.359 172 Y CB -1.486 37.122 38.460 0.246 0.000 1.407 172 Y HN 0.985 nan 8.280 nan 0.000 0.572 173 G N -0.912 108.142 108.800 0.424 0.000 2.325 173 G HA2 0.291 4.252 3.960 0.001 0.000 0.248 173 G HA3 0.291 4.252 3.960 0.001 0.000 0.248 173 G C 0.122 175.276 174.900 0.424 0.000 1.108 173 G CA -0.008 45.370 45.100 0.464 0.000 0.881 173 G HN 1.634 nan 8.290 nan 0.000 0.494 174 G N -2.357 106.644 108.800 0.336 0.000 2.411 174 G HA2 0.684 4.644 3.960 0.001 0.000 0.295 174 G HA3 0.684 4.644 3.960 0.001 0.000 0.295 174 G C -1.281 173.418 174.900 -0.334 0.000 1.542 174 G CA 0.332 45.184 45.100 -0.413 0.000 0.814 174 G HN 1.600 nan 8.290 nan 0.000 0.557 175 V N -0.019 119.443 119.914 -0.753 0.000 3.040 175 V HA 0.931 5.052 4.120 0.001 0.000 0.312 175 V C -0.156 175.765 176.094 -0.287 0.000 1.115 175 V CA 0.034 61.839 62.300 -0.825 0.000 0.998 175 V CB 2.534 33.187 31.823 -1.950 0.000 1.042 175 V HN 1.556 nan 8.190 nan 0.000 0.433 176 T N 3.431 117.895 114.554 -0.150 0.000 2.807 176 T HA 0.644 4.995 4.350 0.001 0.000 0.279 176 T C -0.671 174.017 174.700 -0.020 0.000 0.993 176 T CA -0.560 61.560 62.100 0.035 0.000 0.970 176 T CB 1.141 70.098 68.868 0.149 0.000 0.950 176 T HN 0.552 nan 8.240 nan 0.000 0.441 177 L N 3.889 125.098 121.223 -0.024 0.000 2.315 177 L HA 0.354 4.695 4.340 0.001 0.000 0.278 177 L C 0.146 176.967 176.870 -0.081 0.000 1.088 177 L CA -0.990 53.832 54.840 -0.029 0.000 0.899 177 L CB -0.025 42.021 42.059 -0.022 0.000 1.277 177 L HN 0.638 nan 8.230 nan 0.000 0.431 178 N N 3.919 122.606 118.700 -0.022 0.000 2.492 178 N HA 0.224 4.965 4.740 0.001 0.000 0.262 178 N C -2.262 173.201 175.510 -0.078 0.000 1.202 178 N CA -0.880 52.160 53.050 -0.016 0.000 0.926 178 N CB 0.635 39.157 38.487 0.058 0.000 1.078 178 N HN 0.258 nan 8.380 nan 0.000 0.454 182 W N 4.954 126.278 121.300 0.040 0.000 2.345 182 W HA 0.388 5.049 4.660 0.001 0.000 0.308 182 W C -1.713 174.790 176.519 -0.026 0.000 1.273 182 W CA -1.493 55.825 57.345 -0.044 0.000 1.243 182 W CB 0.621 30.124 29.460 0.072 0.000 1.260 182 W HN -0.007 nan 8.180 nan 0.000 0.509 183 P HA -0.317 nan 4.420 nan 0.000 0.217 183 P C 1.579 178.957 177.300 0.131 0.000 1.151 183 P CA 2.676 65.840 63.100 0.107 0.000 0.849 183 P CB 0.104 31.848 31.700 0.074 0.000 0.787 184 A N 0.001 122.923 122.820 0.171 0.000 1.940 184 A HA -0.233 4.088 4.320 0.001 0.000 0.219 184 A C 2.113 179.770 177.584 0.122 0.000 1.176 184 A CA 1.487 53.597 52.037 0.122 0.000 0.631 184 A CB -0.985 18.074 19.000 0.099 0.000 0.814 184 A HN 0.153 nan 8.150 nan 0.000 0.446 185 R N -0.803 119.803 120.500 0.177 0.000 2.316 185 R HA 0.023 4.364 4.340 0.001 0.000 0.202 185 R C 1.810 178.179 176.300 0.114 0.000 1.029 185 R CA 0.624 56.820 56.100 0.160 0.000 1.018 185 R CB -0.170 30.267 30.300 0.228 0.000 0.888 185 R HN 0.512 nan 8.270 nan 0.000 0.471 186 R N 0.354 120.912 120.500 0.096 0.000 2.237 186 R HA -0.052 4.288 4.340 0.001 0.000 0.219 186 R C 1.797 178.128 176.300 0.053 0.000 1.080 186 R CA 0.600 56.740 56.100 0.066 0.000 0.995 186 R CB 0.051 30.386 30.300 0.057 0.000 0.875 186 R HN 0.124 nan 8.270 nan 0.000 0.462 187 Q N 0.669 120.500 119.800 0.051 0.000 2.291 187 Q HA -0.134 4.207 4.340 0.001 0.000 0.205 187 Q C 1.406 177.427 176.000 0.034 0.000 0.970 187 Q CA 1.314 57.139 55.803 0.037 0.000 0.876 187 Q CB 0.189 28.946 28.738 0.032 0.000 0.935 187 Q HN 0.518 nan 8.270 nan 0.000 0.455 188 E N -0.450 119.774 120.200 0.040 0.000 2.033 188 E HA -0.077 4.274 4.350 0.001 0.000 0.189 188 E C 1.960 178.567 176.600 0.011 0.000 0.979 188 E CA 1.322 57.736 56.400 0.024 0.000 0.802 188 E CB 0.022 29.751 29.700 0.047 0.000 0.763 188 E HN 0.213 nan 8.360 nan 0.000 0.449 189 T N 2.016 116.586 114.554 0.025 0.000 2.759 189 T HA -0.176 4.175 4.350 0.001 0.000 0.269 189 T C 1.890 176.616 174.700 0.043 0.000 1.042 189 T CA 1.042 63.150 62.100 0.013 0.000 1.140 189 T CB -0.270 68.610 68.868 0.021 0.000 0.864 189 T HN 0.053 nan 8.240 nan 0.000 0.455 190 L N 0.805 122.074 121.223 0.078 0.000 2.012 190 L HA -0.040 4.301 4.340 0.001 0.000 0.210 190 L C 2.110 179.108 176.870 0.212 0.000 1.073 190 L CA 1.721 56.657 54.840 0.159 0.000 0.748 190 L CB -0.546 41.562 42.059 0.082 0.000 0.891 190 L HN 0.253 nan 8.230 nan 0.000 0.431 191 L N -1.362 119.917 121.223 0.094 0.000 2.109 191 L HA -0.136 4.204 4.340 0.001 0.000 0.207 191 L C 2.334 179.175 176.870 -0.048 0.000 1.086 191 L CA 1.500 56.372 54.840 0.054 0.000 0.760 191 L CB -0.980 41.077 42.059 -0.003 0.000 0.910 191 L HN 0.250 nan 8.230 nan 0.000 0.437 192 T N -1.300 113.177 114.554 -0.128 0.000 2.867 192 T HA -0.138 4.213 4.350 0.001 0.000 0.268 192 T C 1.913 176.327 174.700 -0.477 0.000 1.057 192 T CA 1.674 63.561 62.100 -0.355 0.000 1.136 192 T CB -0.158 68.475 68.868 -0.392 0.000 0.874 192 T HN 0.310 nan 8.240 nan 0.000 0.466 193 T N 2.011 116.449 114.554 -0.194 0.000 2.746 193 T HA -0.004 4.346 4.350 0.001 0.000 0.267 193 T C 2.405 177.035 174.700 -0.117 0.000 1.039 193 T CA 1.077 63.129 62.100 -0.080 0.000 1.142 193 T CB -0.479 68.467 68.868 0.129 0.000 0.866 193 T HN 0.423 nan 8.240 nan 0.000 0.444 194 A N 0.878 123.657 122.820 -0.067 0.000 1.978 194 A HA -0.031 4.289 4.320 0.001 0.000 0.220 194 A C 2.237 179.843 177.584 0.037 0.000 1.170 194 A CA 1.193 53.154 52.037 -0.126 0.000 0.636 194 A CB -0.707 18.353 19.000 0.101 0.000 0.810 194 A HN 0.531 nan 8.150 nan 0.000 0.448 195 I N -1.996 118.548 120.570 -0.043 0.000 2.233 195 I HA -0.192 3.978 4.170 0.001 0.000 0.243 195 I C 2.142 178.313 176.117 0.089 0.000 1.093 195 I CA 0.965 62.277 61.300 0.020 0.000 1.380 195 I CB -0.351 37.562 38.000 -0.145 0.000 1.067 195 I HN 0.326 nan 8.210 nan 0.000 0.413 196 Y N 1.116 121.271 120.300 -0.242 0.000 2.403 196 Y HA -0.229 4.322 4.550 0.001 0.000 0.291 196 Y C 2.477 178.399 175.900 0.037 0.000 1.143 196 Y CA 0.968 58.886 58.100 -0.303 0.000 1.257 196 Y CB -0.793 37.504 38.460 -0.272 0.000 0.984 196 Y HN 0.199 nan 8.280 nan 0.000 0.550 197 K N -0.845 119.602 120.400 0.079 0.000 2.099 197 K HA -0.018 4.303 4.320 0.001 0.000 0.203 197 K C 1.071 177.491 176.600 -0.300 0.000 1.047 197 K CA 1.027 57.192 56.287 -0.203 0.000 0.963 197 K CB -0.182 31.989 32.500 -0.549 0.000 0.759 197 K HN 0.177 nan 8.250 nan 0.000 0.451 198 F N -0.686 119.244 119.950 -0.034 0.000 2.704 198 F HA 0.186 4.714 4.527 0.001 0.000 0.304 198 F C 0.492 176.340 175.800 0.080 0.000 1.094 198 F CA -0.643 57.354 58.000 -0.005 0.000 1.275 198 F CB 0.232 39.196 39.000 -0.061 0.000 1.073 198 F HN 0.042 nan 8.300 nan 0.000 0.586 199 H N 1.872 121.122 119.070 0.300 0.000 2.580 199 H HA 0.179 4.736 4.556 0.001 0.000 0.322 199 H C -1.815 173.671 175.328 0.264 0.000 1.082 199 H CA -1.794 54.429 56.048 0.291 0.000 1.383 199 H CB 1.249 31.236 29.762 0.375 0.000 1.450 199 H HN -0.208 nan 8.280 nan 0.000 0.505 200 P HA -0.271 nan 4.420 nan 0.000 0.217 200 P C 0.972 178.277 177.300 0.009 0.000 1.162 200 P CA 1.755 64.764 63.100 -0.152 0.000 0.901 200 P CB 0.261 31.793 31.700 -0.281 0.000 0.793 201 E N -2.439 117.842 120.200 0.137 0.000 2.333 201 E HA -0.167 4.184 4.350 0.001 0.000 0.200 201 E C 1.331 177.708 176.600 -0.371 0.000 1.010 201 E CA 1.108 57.423 56.400 -0.142 0.000 0.841 201 E CB -0.324 29.193 29.700 -0.305 0.000 0.757 201 E HN 0.409 nan 8.360 nan 0.000 0.508 202 F N -0.958 119.148 119.950 0.260 0.000 2.581 202 F HA 0.272 4.799 4.527 0.001 0.000 0.278 202 F C 2.225 178.218 175.800 0.322 0.000 1.000 202 F CA 0.264 58.456 58.000 0.320 0.000 1.230 202 F CB -0.620 38.607 39.000 0.378 0.000 1.008 202 F HN -0.127 nan 8.300 nan 0.000 0.695 203 A N 0.752 123.794 122.820 0.368 0.000 1.917 203 A HA -0.211 4.109 4.320 0.001 0.000 0.219 203 A C 1.757 179.373 177.584 0.054 0.000 1.182 203 A CA 2.248 54.368 52.037 0.138 0.000 0.633 203 A CB -0.786 18.246 19.000 0.054 0.000 0.819 203 A HN 0.419 nan 8.150 nan 0.000 0.448 204 N N -0.266 118.475 118.700 0.069 0.000 2.336 204 N HA 0.229 4.970 4.740 0.001 0.000 0.189 204 N C 0.502 176.034 175.510 0.037 0.000 1.113 204 N CA 0.735 53.797 53.050 0.021 0.000 0.858 204 N CB -0.016 38.475 38.487 0.007 0.000 0.970 204 N HN 0.513 nan 8.380 nan 0.000 0.471 205 A N 0.665 123.562 122.820 0.128 0.000 2.271 205 A HA 0.353 4.673 4.320 0.001 0.000 0.288 205 A C 0.246 177.898 177.584 0.113 0.000 1.094 205 A CA -0.308 51.829 52.037 0.167 0.000 0.828 205 A CB 1.025 20.192 19.000 0.278 0.000 1.091 205 A HN -0.063 nan 8.150 nan 0.000 0.493 206 E N 0.247 120.528 120.200 0.135 0.000 2.156 206 E HA 0.612 4.963 4.350 0.001 0.000 0.279 206 E C -1.366 175.367 176.600 0.222 0.000 0.965 206 E CA 0.121 56.542 56.400 0.035 0.000 0.789 206 E CB 1.122 30.837 29.700 0.024 0.000 1.098 206 E HN 0.494 nan 8.360 nan 0.000 0.397 207 F N -0.224 119.730 119.950 0.007 0.000 2.770 207 F HA 0.486 5.014 4.527 0.001 0.000 0.313 207 F C -0.655 175.029 175.800 -0.193 0.000 1.154 207 F CA -1.296 56.690 58.000 -0.022 0.000 0.923 207 F CB 0.901 39.990 39.000 0.148 0.000 1.301 207 F HN 0.065 nan 8.300 nan 0.000 0.449 208 E N 1.084 121.176 120.200 -0.180 0.000 2.242 208 E HA 0.617 4.968 4.350 0.001 0.000 0.275 208 E C -1.150 175.091 176.600 -0.598 0.000 1.002 208 E CA -0.608 55.457 56.400 -0.559 0.000 0.841 208 E CB 1.473 30.474 29.700 -1.165 0.000 1.109 208 E HN 0.652 nan 8.360 nan 0.000 0.394 209 I N 4.832 125.146 120.570 -0.426 0.000 2.347 209 I HA 0.134 4.305 4.170 0.001 0.000 0.283 209 I C 0.174 176.177 176.117 -0.190 0.000 1.058 209 I CA -0.441 60.687 61.300 -0.287 0.000 1.202 209 I CB 0.459 38.391 38.000 -0.115 0.000 1.386 209 I HN 0.735 nan 8.210 nan 0.000 0.475 210 W N 4.782 126.103 121.300 0.035 0.000 2.332 210 W HA -0.181 4.480 4.660 0.001 0.000 0.321 210 W C 0.756 177.362 176.519 0.146 0.000 1.219 210 W CA 0.738 58.124 57.345 0.069 0.000 1.277 210 W CB -0.122 29.365 29.460 0.045 0.000 1.161 210 W HN 0.384 nan 8.180 nan 0.000 0.476 211 Y N -0.736 119.686 120.300 0.204 0.000 2.615 211 Y HA 0.575 5.126 4.550 0.001 0.000 0.341 211 Y C 0.296 176.228 175.900 0.054 0.000 1.089 211 Y CA -1.008 57.160 58.100 0.114 0.000 1.049 211 Y CB 1.376 39.889 38.460 0.088 0.000 1.296 211 Y HN 0.196 nan 8.280 nan 0.000 0.470 212 G N 2.997 111.379 108.800 -0.698 0.000 2.663 212 G HA2 0.316 4.276 3.960 0.001 0.000 0.686 212 G HA3 0.316 4.276 3.960 0.001 0.000 0.686 212 G C -1.791 173.002 174.900 -0.179 0.000 1.246 212 G CA -0.273 44.467 45.100 -0.601 0.000 0.795 212 G HN 1.247 nan 8.290 nan 0.000 0.627 213 D N 1.132 121.497 120.400 -0.059 0.000 2.530 213 D HA 0.455 5.095 4.640 0.001 0.000 0.193 213 D C -1.787 174.629 176.300 0.193 0.000 1.243 213 D CA -0.634 53.433 54.000 0.112 0.000 0.803 213 D CB 1.291 42.161 40.800 0.116 0.000 1.955 213 D HN 0.174 nan 8.370 nan 0.000 0.529 214 P HA 0.041 nan 4.420 nan 0.000 0.223 214 P C 0.404 177.745 177.300 0.069 0.000 1.151 214 P CA 0.591 63.762 63.100 0.118 0.000 0.787 214 P CB 0.322 32.113 31.700 0.151 0.000 0.788 215 D N -0.906 119.535 120.400 0.067 0.000 2.355 215 D HA -0.006 4.634 4.640 0.001 0.000 0.218 215 D C 0.747 177.035 176.300 -0.020 0.000 1.004 215 D CA 0.699 54.701 54.000 0.003 0.000 0.880 215 D CB 0.025 40.834 40.800 0.014 0.000 0.911 215 D HN 0.262 nan 8.370 nan 0.000 0.528 216 K N 0.906 121.290 120.400 -0.026 0.000 2.203 216 K HA 0.151 4.472 4.320 0.001 0.000 0.251 216 K C -0.861 175.626 176.600 -0.189 0.000 0.944 216 K CA -0.688 55.508 56.287 -0.152 0.000 0.829 216 K CB 1.917 34.248 32.500 -0.282 0.000 1.125 216 K HN -0.281 nan 8.250 nan 0.000 0.430 217 D N 2.209 122.495 120.400 -0.190 0.000 2.277 217 D HA 0.063 4.703 4.640 0.001 0.000 0.249 217 D C -0.047 176.116 176.300 -0.229 0.000 1.134 217 D CA -0.155 53.776 54.000 -0.114 0.000 0.863 217 D CB 0.693 41.452 40.800 -0.067 0.000 1.143 217 D HN 0.640 nan 8.370 nan 0.000 0.458 218 H N 3.015 122.073 119.070 -0.021 0.000 2.517 218 H HA 0.136 4.692 4.556 0.001 0.000 0.282 218 H C 1.581 176.913 175.328 0.008 0.000 1.023 218 H CA 0.331 56.377 56.048 -0.003 0.000 1.169 218 H CB 0.748 30.507 29.762 -0.005 0.000 1.454 218 H HN 0.733 nan 8.280 nan 0.000 0.556 219 G N 1.352 110.180 108.800 0.046 0.000 2.685 219 G HA2 -0.405 3.556 3.960 0.001 0.000 0.329 219 G HA3 -0.405 3.556 3.960 0.001 0.000 0.329 219 G C 1.134 176.050 174.900 0.027 0.000 1.271 219 G CA 0.901 46.013 45.100 0.020 0.000 1.003 219 G HN 0.419 nan 8.290 nan 0.000 0.549 220 S N 0.630 116.346 115.700 0.027 0.000 2.605 220 S HA 0.417 4.887 4.470 0.001 0.000 0.217 220 S C 0.775 175.406 174.600 0.053 0.000 0.958 220 S CA 0.706 58.919 58.200 0.023 0.000 0.919 220 S CB 0.405 63.610 63.200 0.007 0.000 0.780 220 S HN 0.625 nan 8.310 nan 0.000 0.507 221 S N 3.523 119.283 115.700 0.100 0.000 2.400 221 S HA 0.374 4.845 4.470 0.001 0.000 0.295 221 S C 0.331 175.021 174.600 0.151 0.000 1.113 221 S CA -0.560 57.725 58.200 0.142 0.000 1.064 221 S CB 0.413 63.763 63.200 0.251 0.000 0.990 221 S HN 0.563 nan 8.310 nan 0.000 0.502 222 T N 1.738 116.358 114.554 0.109 0.000 2.876 222 T HA 0.723 5.073 4.350 0.001 0.000 0.289 222 T C -0.743 174.017 174.700 0.099 0.000 1.014 222 T CA -0.845 61.320 62.100 0.108 0.000 0.986 222 T CB 1.095 70.040 68.868 0.129 0.000 1.021 222 T HN 0.403 nan 8.240 nan 0.000 0.458 223 L N 1.927 123.220 121.223 0.115 0.000 2.438 223 L HA 0.528 4.869 4.340 0.001 0.000 0.270 223 L C -0.921 176.022 176.870 0.123 0.000 0.972 223 L CA -0.557 54.350 54.840 0.112 0.000 0.831 223 L CB 2.038 44.188 42.059 0.152 0.000 1.273 223 L HN 0.855 nan 8.230 nan 0.000 0.405 224 E N 2.424 122.711 120.200 0.144 0.000 2.210 224 E HA 0.251 4.601 4.350 0.001 0.000 0.266 224 E C 0.611 177.296 176.600 0.141 0.000 0.883 224 E CA -0.357 56.149 56.400 0.177 0.000 0.761 224 E CB 2.300 32.190 29.700 0.316 0.000 1.156 224 E HN 0.828 nan 8.360 nan 0.000 0.412 225 G N 3.054 111.907 108.800 0.087 0.000 2.606 225 G HA2 -0.356 3.605 3.960 0.001 0.000 0.221 225 G HA3 -0.356 3.605 3.960 0.001 0.000 0.221 225 G C 1.302 176.252 174.900 0.083 0.000 1.152 225 G CA 1.147 46.292 45.100 0.075 0.000 0.765 225 G HN 0.664 nan 8.290 nan 0.000 0.595 226 G N -0.103 108.691 108.800 -0.009 0.000 2.501 226 G HA2 -0.105 3.856 3.960 0.001 0.000 0.220 226 G HA3 -0.105 3.856 3.960 0.001 0.000 0.220 226 G C 1.366 176.373 174.900 0.179 0.000 1.114 226 G CA 1.224 46.346 45.100 0.038 0.000 0.757 226 G HN 0.399 nan 8.290 nan 0.000 0.559 227 D N -0.511 120.005 120.400 0.193 0.000 2.327 227 D HA 0.106 4.747 4.640 0.001 0.000 0.205 227 D C 1.472 177.852 176.300 0.134 0.000 0.989 227 D CA 0.079 54.177 54.000 0.163 0.000 0.873 227 D CB 0.559 41.441 40.800 0.137 0.000 0.955 227 D HN 0.143 nan 8.370 nan 0.000 0.515 231 I N -1.404 119.148 120.570 -0.030 0.000 3.176 231 I HA 0.366 4.537 4.170 0.001 0.000 0.275 231 I C 0.736 176.845 176.117 -0.013 0.000 1.298 231 I CA 1.086 62.324 61.300 -0.103 0.000 1.445 231 I CB -0.492 37.445 38.000 -0.105 0.000 1.075 231 I HN 0.582 nan 8.210 nan 0.000 0.482 232 G N 2.125 111.040 108.800 0.190 0.000 2.757 232 G HA2 -0.299 3.662 3.960 0.001 0.000 0.638 232 G HA3 -0.299 3.662 3.960 0.001 0.000 0.638 232 G C 0.039 175.055 174.900 0.193 0.000 1.344 232 G CA -0.057 45.231 45.100 0.313 0.000 0.855 232 G HN 0.909 nan 8.290 nan 0.000 0.537 233 N N -1.133 117.635 118.700 0.113 0.000 2.780 233 N HA 0.192 4.933 4.740 0.001 0.000 0.248 233 N C 1.884 177.405 175.510 0.019 0.000 1.102 233 N CA 2.850 55.923 53.050 0.038 0.000 0.697 233 N CB -1.000 37.510 38.487 0.038 0.000 1.028 233 N HN 2.767 nan 8.380 nan 0.000 0.554 234 G N -2.728 106.044 108.800 -0.046 0.000 2.220 234 G HA2 -0.317 3.644 3.960 0.001 0.000 0.269 234 G HA3 -0.317 3.644 3.960 0.001 0.000 0.269 234 G C 0.230 175.178 174.900 0.079 0.000 0.977 234 G CA 0.598 45.639 45.100 -0.097 0.000 0.634 234 G HN 0.828 nan 8.290 nan 0.000 0.539 235 V N 0.382 120.402 119.914 0.178 0.000 2.743 235 V HA 0.689 4.810 4.120 0.001 0.000 0.301 235 V C 0.471 176.716 176.094 0.252 0.000 1.057 235 V CA -0.516 61.902 62.300 0.197 0.000 1.006 235 V CB 1.903 33.808 31.823 0.137 0.000 1.024 235 V HN 0.412 nan 8.190 nan 0.000 0.473 236 V N 4.786 124.810 119.914 0.183 0.000 2.668 236 V HA 0.444 4.565 4.120 0.001 0.000 0.304 236 V C -0.541 175.623 176.094 0.117 0.000 1.071 236 V CA -0.504 61.867 62.300 0.120 0.000 0.894 236 V CB 1.804 33.665 31.823 0.062 0.000 1.008 236 V HN 0.630 nan 8.190 nan 0.000 0.425 237 L N 5.625 126.927 121.223 0.132 0.000 2.289 237 L HA 0.657 4.997 4.340 0.001 0.000 0.285 237 L C -0.693 176.251 176.870 0.123 0.000 1.049 237 L CA -0.332 54.608 54.840 0.166 0.000 0.804 237 L CB 1.397 43.605 42.059 0.248 0.000 1.195 237 L HN 0.485 nan 8.230 nan 0.000 0.428 238 I N 2.178 122.807 120.570 0.098 0.000 2.500 238 I HA 0.353 4.523 4.170 0.001 0.000 0.286 238 I C 0.578 176.716 176.117 0.035 0.000 1.063 238 I CA -0.410 60.924 61.300 0.057 0.000 1.062 238 I CB 1.997 40.006 38.000 0.015 0.000 1.223 238 I HN 0.652 nan 8.210 nan 0.000 0.435 242 E N 0.248 120.307 120.200 -0.236 0.000 2.333 242 E HA -0.055 4.296 4.350 0.001 0.000 0.198 242 E C 1.923 178.237 176.600 -0.477 0.000 1.007 242 E CA 0.690 56.887 56.400 -0.339 0.000 0.845 242 E CB 0.191 29.679 29.700 -0.352 0.000 0.766 242 E HN 0.266 nan 8.360 nan 0.000 0.507 243 R N -0.119 120.158 120.500 -0.371 0.000 2.344 243 R HA 0.244 4.585 4.340 0.001 0.000 0.209 243 R C 0.302 176.547 176.300 -0.093 0.000 0.886 243 R CA 0.096 56.017 56.100 -0.298 0.000 1.040 243 R CB 0.819 30.933 30.300 -0.310 0.000 1.114 243 R HN -0.127 nan 8.270 nan 0.000 0.547 244 S N 1.250 116.901 115.700 -0.081 0.000 2.596 244 S HA 0.337 4.808 4.470 0.001 0.000 0.318 244 S C -0.231 174.339 174.600 -0.049 0.000 1.097 244 S CA -0.612 57.574 58.200 -0.023 0.000 1.080 244 S CB 2.131 65.330 63.200 -0.001 0.000 0.991 244 S HN 0.211 nan 8.310 nan 0.000 0.471 245 S N 2.547 118.230 115.700 -0.029 0.000 2.654 245 S HA 0.391 4.861 4.470 0.001 0.000 0.283 245 S C 1.337 175.897 174.600 -0.065 0.000 1.180 245 S CA -1.083 57.091 58.200 -0.044 0.000 1.021 245 S CB 1.015 64.207 63.200 -0.013 0.000 1.018 245 S HN 0.826 nan 8.310 nan 0.000 0.532 246 R N 0.932 121.382 120.500 -0.084 0.000 2.105 246 R HA -0.203 4.138 4.340 0.001 0.000 0.239 246 R C 1.486 177.725 176.300 -0.101 0.000 1.135 246 R CA 1.683 57.718 56.100 -0.107 0.000 0.967 246 R CB -0.877 29.348 30.300 -0.126 0.000 0.861 246 R HN 0.643 nan 8.270 nan 0.000 0.442 247 Q N 1.003 120.760 119.800 -0.072 0.000 2.135 247 Q HA -0.078 4.263 4.340 0.001 0.000 0.204 247 Q C 2.203 178.167 176.000 -0.060 0.000 0.981 247 Q CA 2.351 58.122 55.803 -0.053 0.000 0.856 247 Q CB -0.184 28.548 28.738 -0.010 0.000 0.902 247 Q HN 0.586 nan 8.270 nan 0.000 0.425 248 A N -0.044 122.735 122.820 -0.068 0.000 1.878 248 A HA -0.031 4.290 4.320 0.001 0.000 0.213 248 A C 2.037 179.411 177.584 -0.351 0.000 1.192 248 A CA 0.664 52.598 52.037 -0.171 0.000 0.619 248 A CB -0.456 18.526 19.000 -0.030 0.000 0.837 248 A HN 0.303 nan 8.150 nan 0.000 0.446 249 I N 0.181 120.622 120.570 -0.216 0.000 2.194 249 I HA -0.268 3.902 4.170 0.001 0.000 0.246 249 I C 2.660 178.637 176.117 -0.233 0.000 1.093 249 I CA 1.313 62.486 61.300 -0.211 0.000 1.355 249 I CB -0.609 37.312 38.000 -0.131 0.000 1.046 249 I HN 0.409 nan 8.210 nan 0.000 0.413 250 G N -0.035 108.650 108.800 -0.191 0.000 2.422 250 G HA2 -0.240 3.721 3.960 0.001 0.000 0.218 250 G HA3 -0.240 3.721 3.960 0.001 0.000 0.218 250 G C 1.563 176.350 174.900 -0.188 0.000 1.146 250 G CA 0.438 45.442 45.100 -0.161 0.000 0.769 250 G HN 0.444 nan 8.290 nan 0.000 0.547 251 Q N -0.302 119.355 119.800 -0.239 0.000 2.187 251 Q HA 0.059 4.399 4.340 0.001 0.000 0.199 251 Q C 2.760 178.578 176.000 -0.304 0.000 0.957 251 Q CA 0.676 56.354 55.803 -0.208 0.000 0.857 251 Q CB -0.022 28.641 28.738 -0.126 0.000 0.929 251 Q HN 0.382 nan 8.270 nan 0.000 0.453 252 V N 1.079 120.692 119.914 -0.503 0.000 2.307 252 V HA -0.270 3.850 4.120 0.001 0.000 0.245 252 V C 2.297 178.175 176.094 -0.361 0.000 1.045 252 V CA 1.897 63.951 62.300 -0.410 0.000 1.024 252 V CB -0.935 30.648 31.823 -0.400 0.000 0.651 252 V HN 0.396 nan 8.190 nan 0.000 0.449 253 A N -0.714 121.844 122.820 -0.437 0.000 1.883 253 A HA -0.341 3.980 4.320 0.001 0.000 0.217 253 A C 2.260 179.338 177.584 -0.844 0.000 1.186 253 A CA 2.303 53.889 52.037 -0.753 0.000 0.624 253 A CB -0.685 17.933 19.000 -0.636 0.000 0.822 253 A HN 0.598 nan 8.150 nan 0.000 0.444 254 Q N -0.647 118.930 119.800 -0.372 0.000 2.181 254 Q HA -0.177 4.164 4.340 0.001 0.000 0.205 254 Q C 2.248 178.220 176.000 -0.047 0.000 0.980 254 Q CA 1.808 57.547 55.803 -0.106 0.000 0.862 254 Q CB -0.182 28.572 28.738 0.027 0.000 0.905 254 Q HN 0.628 nan 8.270 nan 0.000 0.429 255 S N -0.440 115.218 115.700 -0.071 0.000 2.387 255 S HA -0.024 4.447 4.470 0.001 0.000 0.226 255 S C 1.843 176.474 174.600 0.052 0.000 1.026 255 S CA 0.543 58.787 58.200 0.074 0.000 0.972 255 S CB -0.099 63.206 63.200 0.176 0.000 0.814 255 S HN 0.444 nan 8.310 nan 0.000 0.477 256 L N 0.217 121.310 121.223 -0.218 0.000 2.056 256 L HA -0.038 4.303 4.340 0.001 0.000 0.207 256 L C 2.217 179.057 176.870 -0.051 0.000 1.078 256 L CA 1.088 55.692 54.840 -0.393 0.000 0.749 256 L CB -0.533 41.174 42.059 -0.586 0.000 0.901 256 L HN 0.316 nan 8.230 nan 0.000 0.433 257 F N 0.137 120.056 119.950 -0.052 0.000 2.186 257 F HA -0.106 4.421 4.527 0.001 0.000 0.299 257 F C 2.646 178.461 175.800 0.025 0.000 1.090 257 F CA 0.627 58.618 58.000 -0.015 0.000 1.307 257 F CB -1.462 37.538 39.000 0.001 0.000 1.019 257 F HN 0.011 nan 8.300 nan 0.000 0.489 258 A N -0.143 122.820 122.820 0.239 0.000 1.978 258 A HA -0.215 4.106 4.320 0.001 0.000 0.220 258 A C 1.938 179.628 177.584 0.176 0.000 1.170 258 A CA 1.765 53.911 52.037 0.183 0.000 0.636 258 A CB -0.595 18.502 19.000 0.162 0.000 0.810 258 A HN 0.272 nan 8.150 nan 0.000 0.448 259 K N -1.433 119.095 120.400 0.213 0.000 2.372 259 K HA 0.346 4.667 4.320 0.001 0.000 0.200 259 K C 0.899 177.611 176.600 0.186 0.000 1.022 259 K CA 0.604 57.031 56.287 0.233 0.000 1.125 259 K CB 0.183 32.924 32.500 0.402 0.000 0.855 259 K HN 0.592 nan 8.250 nan 0.000 0.524 260 G N 0.899 109.789 108.800 0.149 0.000 2.225 260 G HA2 -0.341 3.620 3.960 0.001 0.000 0.267 260 G HA3 -0.341 3.620 3.960 0.001 0.000 0.267 260 G C 0.835 175.777 174.900 0.071 0.000 1.024 260 G CA 0.422 45.583 45.100 0.101 0.000 0.784 260 G HN 0.399 nan 8.290 nan 0.000 0.507 261 A N -1.364 121.485 122.820 0.048 0.000 2.208 261 A HA 0.742 5.062 4.320 0.001 0.000 0.209 261 A C 1.357 178.881 177.584 -0.099 0.000 1.161 261 A CA 1.731 53.753 52.037 -0.024 0.000 0.782 261 A CB 0.098 18.985 19.000 -0.190 0.000 0.816 261 A HN 2.235 nan 8.150 nan 0.000 0.477 262 A N -1.148 121.676 122.820 0.008 0.000 2.574 262 A HA 0.625 4.945 4.320 0.001 0.000 0.297 262 A C 0.032 177.710 177.584 0.156 0.000 1.062 262 A CA -0.313 51.771 52.037 0.078 0.000 0.686 262 A CB 0.651 19.746 19.000 0.159 0.000 1.285 262 A HN 0.143 nan 8.150 nan 0.000 0.403 263 E N -0.011 120.233 120.200 0.073 0.000 2.251 263 E HA 0.125 4.475 4.350 0.001 0.000 0.194 263 E C 0.636 177.232 176.600 -0.006 0.000 0.964 263 E CA 0.430 56.815 56.400 -0.024 0.000 0.868 263 E CB 0.531 30.209 29.700 -0.037 0.000 0.828 263 E HN 0.528 nan 8.360 nan 0.000 0.481 264 R N 0.391 120.986 120.500 0.157 0.000 2.668 264 R HA 0.387 4.728 4.340 0.001 0.000 0.272 264 R C -1.984 174.481 176.300 0.274 0.000 1.019 264 R CA -0.429 55.792 56.100 0.201 0.000 0.894 264 R CB 2.036 32.396 30.300 0.100 0.000 1.228 264 R HN -0.146 nan 8.270 nan 0.000 0.460 265 V N 5.695 125.792 119.914 0.306 0.000 2.407 265 V HA 0.428 4.549 4.120 0.001 0.000 0.291 265 V C -0.157 176.040 176.094 0.172 0.000 1.018 265 V CA -0.595 61.819 62.300 0.191 0.000 0.842 265 V CB 1.621 33.505 31.823 0.101 0.000 0.996 265 V HN 0.642 nan 8.190 nan 0.000 0.426 266 I N 5.534 126.196 120.570 0.154 0.000 2.297 266 I HA 0.270 4.441 4.170 0.001 0.000 0.291 266 I C -0.077 176.149 176.117 0.182 0.000 1.033 266 I CA -0.511 60.892 61.300 0.171 0.000 1.253 266 I CB 1.565 39.663 38.000 0.163 0.000 1.396 266 I HN 0.275 nan 8.210 nan 0.000 0.476 267 V N 6.749 126.784 119.914 0.202 0.000 2.427 267 V HA 0.217 4.338 4.120 0.001 0.000 0.268 267 V C 0.817 177.034 176.094 0.204 0.000 1.046 267 V CA -0.404 62.002 62.300 0.176 0.000 0.970 267 V CB 0.940 32.862 31.823 0.165 0.000 1.001 267 V HN 0.818 nan 8.190 nan 0.000 0.476 268 A N 4.677 127.544 122.820 0.078 0.000 2.391 268 A HA 0.600 4.920 4.320 0.001 0.000 0.316 268 A C 0.882 178.411 177.584 -0.091 0.000 1.381 268 A CA -0.041 51.936 52.037 -0.101 0.000 0.998 268 A CB 0.037 18.805 19.000 -0.386 0.000 1.147 268 A HN 0.980 nan 8.150 nan 0.000 0.545 269 G N 2.776 111.594 108.800 0.030 0.000 2.439 269 G HA2 0.465 4.425 3.960 0.001 0.000 0.298 269 G HA3 0.465 4.425 3.960 0.001 0.000 0.298 269 G C -0.124 174.750 174.900 -0.044 0.000 1.044 269 G CA -0.331 44.802 45.100 0.055 0.000 1.168 269 G HN 0.697 nan 8.290 nan 0.000 0.433 270 L N 5.166 126.341 121.223 -0.081 0.000 2.319 270 L HA 0.318 4.659 4.340 0.001 0.000 0.280 270 L C -1.185 175.655 176.870 -0.050 0.000 1.099 270 L CA -1.606 53.181 54.840 -0.087 0.000 0.828 270 L CB 0.962 42.963 42.059 -0.098 0.000 1.150 270 L HN 0.399 nan 8.230 nan 0.000 0.442 271 P HA 0.234 nan 4.420 nan 0.000 0.274 271 P C -0.621 176.666 177.300 -0.020 0.000 1.256 271 P CA -0.429 62.661 63.100 -0.016 0.000 0.795 271 P CB 1.542 33.238 31.700 -0.006 0.000 1.038 279 L N 1.404 122.713 121.223 0.144 0.000 2.013 279 L HA -0.140 4.200 4.340 0.001 0.000 0.212 279 L C 1.851 178.814 176.870 0.155 0.000 1.073 279 L CA 2.649 57.545 54.840 0.094 0.000 0.753 279 L CB -0.600 41.503 42.059 0.073 0.000 0.890 279 L HN 0.898 nan 8.230 nan 0.000 0.432 280 D N -2.854 117.638 120.400 0.153 0.000 2.392 280 D HA -0.156 4.484 4.640 0.001 0.000 0.228 280 D C 1.654 177.979 176.300 0.042 0.000 1.003 280 D CA 1.167 55.201 54.000 0.056 0.000 0.917 280 D CB -0.503 40.315 40.800 0.029 0.000 0.890 280 D HN 0.344 nan 8.370 nan 0.000 0.532 281 T N -0.584 114.023 114.554 0.088 0.000 3.051 281 T HA 0.026 4.376 4.350 0.001 0.000 0.255 281 T C 1.607 176.333 174.700 0.044 0.000 1.085 281 T CA 1.013 63.144 62.100 0.052 0.000 1.109 281 T CB 0.264 69.170 68.868 0.063 0.000 0.921 281 T HN 0.256 nan 8.240 nan 0.000 0.488 282 V N -1.971 118.008 119.914 0.108 0.000 3.477 282 V HA 0.560 4.681 4.120 0.001 0.000 0.297 282 V C -0.200 176.053 176.094 0.265 0.000 1.433 282 V CA -0.579 61.831 62.300 0.183 0.000 1.052 282 V CB -0.209 31.762 31.823 0.247 0.000 0.895 282 V HN 0.265 nan 8.190 nan 0.000 0.438 283 F N 0.460 120.413 119.950 0.005 0.000 2.605 283 F HA 0.787 5.315 4.527 0.001 0.000 0.320 283 F C -0.836 174.900 175.800 -0.107 0.000 1.159 283 F CA -0.122 57.862 58.000 -0.027 0.000 0.999 283 F CB 1.949 40.975 39.000 0.044 0.000 1.258 283 F HN -0.065 nan 8.300 nan 0.000 0.464 284 S N 4.975 120.262 115.700 -0.688 0.000 2.536 284 S HA 0.596 5.067 4.470 0.001 0.000 0.271 284 S C -1.343 172.856 174.600 -0.670 0.000 1.134 284 S CA -0.500 57.368 58.200 -0.552 0.000 0.897 284 S CB 1.360 64.379 63.200 -0.301 0.000 1.094 284 S HN 0.465 nan 8.310 nan 0.000 0.473 285 F N 0.621 120.356 119.950 -0.359 0.000 2.375 285 F HA 0.360 4.888 4.527 0.001 0.000 0.333 285 F C 1.154 176.865 175.800 -0.149 0.000 1.104 285 F CA -0.198 57.657 58.000 -0.242 0.000 1.149 285 F CB 0.916 39.846 39.000 -0.117 0.000 1.190 285 F HN 0.629 nan 8.300 nan 0.000 0.533 286 C N -0.132 119.210 119.300 0.071 0.000 3.480 286 C HA 0.266 4.726 4.460 0.001 0.000 0.480 286 C C -0.017 175.003 174.990 0.050 0.000 1.410 286 C CA 0.076 59.110 59.018 0.026 0.000 2.172 286 C CB 0.029 27.745 27.740 -0.040 0.000 3.162 286 C HN 0.815 nan 8.230 nan 0.000 0.635 287 D N -1.138 119.313 120.400 0.085 0.000 2.664 287 D HA 0.270 4.910 4.640 0.001 0.000 0.292 287 D C 0.570 176.932 176.300 0.104 0.000 1.214 287 D CA -0.642 53.398 54.000 0.066 0.000 0.932 287 D CB 1.034 41.853 40.800 0.031 0.000 1.420 287 D HN -0.194 nan 8.370 nan 0.000 0.471 288 R N -0.220 120.314 120.500 0.056 0.000 2.112 288 R HA -0.177 4.164 4.340 0.001 0.000 0.242 288 R C 0.702 177.062 176.300 0.100 0.000 1.137 288 R CA 2.410 58.537 56.100 0.045 0.000 0.944 288 R CB 0.026 30.341 30.300 0.024 0.000 0.857 288 R HN 0.429 nan 8.270 nan 0.000 0.435 289 D N -1.249 119.204 120.400 0.089 0.000 2.538 289 D HA 0.040 4.681 4.640 0.001 0.000 0.231 289 D C -0.113 176.227 176.300 0.066 0.000 1.229 289 D CA -0.068 53.987 54.000 0.092 0.000 0.828 289 D CB 0.053 40.881 40.800 0.047 0.000 1.035 289 D HN 0.107 nan 8.370 nan 0.000 0.495 290 L N 1.292 122.558 121.223 0.072 0.000 2.362 290 L HA 0.577 4.918 4.340 0.001 0.000 0.275 290 L C -1.087 175.714 176.870 -0.116 0.000 0.998 290 L CA -0.911 53.918 54.840 -0.019 0.000 0.820 290 L CB 2.005 44.050 42.059 -0.023 0.000 1.270 290 L HN -0.021 nan 8.230 nan 0.000 0.415 291 V N 0.329 120.094 119.914 -0.249 0.000 2.925 291 V HA 0.671 4.792 4.120 0.001 0.000 0.311 291 V C -0.114 175.768 176.094 -0.353 0.000 1.104 291 V CA -0.548 61.461 62.300 -0.485 0.000 0.954 291 V CB 1.676 32.944 31.823 -0.925 0.000 1.022 291 V HN 0.824 nan 8.190 nan 0.000 0.427 292 T N 0.441 114.775 114.554 -0.367 0.000 2.918 292 T HA 0.831 5.182 4.350 0.001 0.000 0.283 292 T C -0.429 174.158 174.700 -0.189 0.000 1.001 292 T CA -0.658 61.304 62.100 -0.230 0.000 1.041 292 T CB 1.712 70.469 68.868 -0.184 0.000 1.028 292 T HN 1.259 nan 8.240 nan 0.000 0.511 293 V N 1.517 121.396 119.914 -0.058 0.000 3.077 293 V HA 0.502 4.623 4.120 0.001 0.000 0.299 293 V C -1.748 174.429 176.094 0.139 0.000 1.276 293 V CA -1.087 61.257 62.300 0.072 0.000 0.993 293 V CB 2.400 34.273 31.823 0.083 0.000 1.076 293 V HN 0.955 nan 8.190 nan 0.000 0.434 294 F N 7.709 127.689 119.950 0.050 0.000 2.293 294 F HA 0.570 5.098 4.527 0.001 0.000 0.370 294 F C -1.794 174.046 175.800 0.067 0.000 1.090 294 F CA -2.446 55.591 58.000 0.062 0.000 1.133 294 F CB 1.749 40.800 39.000 0.085 0.000 1.360 294 F HN 0.342 nan 8.300 nan 0.000 0.489 295 P HA -0.286 nan 4.420 nan 0.000 0.217 295 P C 1.511 178.631 177.300 -0.301 0.000 1.162 295 P CA 1.919 64.894 63.100 -0.210 0.000 0.901 295 P CB 0.159 31.759 31.700 -0.167 0.000 0.793 296 E N -0.791 119.051 120.200 -0.596 0.000 2.136 296 E HA -0.210 4.140 4.350 0.001 0.000 0.202 296 E C 1.732 178.193 176.600 -0.232 0.000 1.019 296 E CA 1.537 57.659 56.400 -0.464 0.000 0.819 296 E CB -0.324 28.950 29.700 -0.710 0.000 0.739 296 E HN 0.007 nan 8.360 nan 0.000 0.458 297 V N -0.659 119.149 119.914 -0.176 0.000 2.426 297 V HA -0.140 3.980 4.120 0.001 0.000 0.242 297 V C 2.219 178.313 176.094 -0.000 0.000 1.036 297 V CA 0.944 63.275 62.300 0.053 0.000 1.044 297 V CB 0.163 32.161 31.823 0.292 0.000 0.688 297 V HN 0.168 nan 8.190 nan 0.000 0.462 298 V N 1.649 121.575 119.914 0.019 0.000 2.332 298 V HA -0.295 3.826 4.120 0.001 0.000 0.248 298 V C 2.462 178.570 176.094 0.024 0.000 1.055 298 V CA 2.477 64.794 62.300 0.029 0.000 1.038 298 V CB -0.887 31.018 31.823 0.137 0.000 0.651 298 V HN 0.767 nan 8.190 nan 0.000 0.450 299 K N 0.026 120.425 120.400 -0.001 0.000 2.515 299 K HA -0.127 4.193 4.320 0.001 0.000 0.196 299 K C 1.177 177.773 176.600 -0.006 0.000 1.038 299 K CA 1.419 57.708 56.287 0.002 0.000 0.967 299 K CB -0.036 32.451 32.500 -0.022 0.000 0.780 299 K HN 0.419 nan 8.250 nan 0.000 0.483 300 E N 0.740 120.928 120.200 -0.021 0.000 2.562 300 E HA 0.197 4.548 4.350 0.001 0.000 0.214 300 E C 0.131 176.707 176.600 -0.040 0.000 0.979 300 E CA -0.211 56.176 56.400 -0.023 0.000 1.002 300 E CB 0.468 30.156 29.700 -0.020 0.000 1.048 300 E HN 0.332 nan 8.360 nan 0.000 0.488 301 I N 2.074 122.596 120.570 -0.080 0.000 2.556 301 I HA -0.005 4.166 4.170 0.001 0.000 0.284 301 I C 0.213 176.284 176.117 -0.078 0.000 1.114 301 I CA -0.155 61.048 61.300 -0.162 0.000 1.418 301 I CB 0.902 38.617 38.000 -0.475 0.000 1.394 301 I HN -0.300 nan 8.210 nan 0.000 0.552 302 V N 8.808 128.703 119.914 -0.033 0.000 2.383 302 V HA 0.282 4.403 4.120 0.001 0.000 0.275 302 V C -2.183 173.876 176.094 -0.059 0.000 1.036 302 V CA -1.573 60.705 62.300 -0.036 0.000 0.889 302 V CB 1.110 32.971 31.823 0.063 0.000 0.985 302 V HN 0.595 nan 8.190 nan 0.000 0.459 303 P HA 0.584 nan 4.420 nan 0.000 0.286 303 P C -1.209 175.831 177.300 -0.433 0.000 1.261 303 P CA -0.494 62.566 63.100 -0.067 0.000 0.821 303 P CB 0.736 32.487 31.700 0.085 0.000 1.013 304 F N -0.240 119.751 119.950 0.069 0.000 2.557 304 F HA 0.340 4.868 4.527 0.001 0.000 0.316 304 F C 0.321 176.162 175.800 0.070 0.000 1.141 304 F CA -0.466 57.567 58.000 0.056 0.000 0.922 304 F CB 1.893 40.918 39.000 0.041 0.000 1.194 304 F HN 0.052 nan 8.300 nan 0.000 0.443 305 S N 3.299 119.112 115.700 0.188 0.000 2.457 305 S HA 0.571 5.041 4.470 0.001 0.000 0.289 305 S C -1.091 173.618 174.600 0.181 0.000 1.163 305 S CA -0.402 57.890 58.200 0.153 0.000 1.078 305 S CB 0.976 64.228 63.200 0.086 0.000 0.987 305 S HN 0.440 nan 8.310 nan 0.000 0.482 306 L N 5.611 126.958 121.223 0.207 0.000 2.318 306 L HA 0.557 4.898 4.340 0.001 0.000 0.277 306 L C -0.486 176.559 176.870 0.292 0.000 1.008 306 L CA -0.088 54.908 54.840 0.261 0.000 0.846 306 L CB 0.592 42.814 42.059 0.273 0.000 1.220 306 L HN 0.561 nan 8.230 nan 0.000 0.423 307 R N 5.423 125.970 120.500 0.080 0.000 2.778 307 R HA 0.667 5.008 4.340 0.001 0.000 0.277 307 R C -2.443 173.556 176.300 -0.502 0.000 0.977 307 R CA -1.815 54.127 56.100 -0.262 0.000 0.950 307 R CB 1.216 31.410 30.300 -0.176 0.000 1.165 307 R HN 0.436 nan 8.270 nan 0.000 0.474 308 P HA 0.033 nan 4.420 nan 0.000 0.271 308 P C -1.076 176.052 177.300 -0.287 0.000 1.218 308 P CA 0.167 62.855 63.100 -0.686 0.000 0.780 308 P CB 0.733 31.979 31.700 -0.756 0.000 0.901 309 D N 2.578 122.887 120.400 -0.152 0.000 2.470 309 D HA 0.256 4.897 4.640 0.001 0.000 0.233 309 D C -2.189 174.055 176.300 -0.093 0.000 1.372 309 D CA -1.998 51.931 54.000 -0.119 0.000 0.994 309 D CB 1.040 41.770 40.800 -0.117 0.000 1.377 309 D HN -0.051 nan 8.370 nan 0.000 0.586 310 P HA -0.057 nan 4.420 nan 0.000 0.222 310 P C 0.709 177.975 177.300 -0.056 0.000 1.147 310 P CA 0.779 63.848 63.100 -0.051 0.000 0.790 310 P CB 0.214 31.891 31.700 -0.039 0.000 0.780 311 S N -2.084 113.576 115.700 -0.067 0.000 2.767 311 S HA 0.274 4.744 4.470 0.001 0.000 0.253 311 S C 0.386 174.928 174.600 -0.096 0.000 1.082 311 S CA -0.391 57.770 58.200 -0.065 0.000 1.148 311 S CB -0.895 62.272 63.200 -0.055 0.000 0.808 311 S HN -0.058 nan 8.310 nan 0.000 0.466 312 S N 0.810 116.433 115.700 -0.127 0.000 2.547 312 S HA 0.611 5.082 4.470 0.001 0.000 0.281 312 S C -2.242 172.252 174.600 -0.177 0.000 1.118 312 S CA -1.331 56.737 58.200 -0.220 0.000 0.947 312 S CB 1.436 64.405 63.200 -0.385 0.000 1.053 312 S HN 0.107 nan 8.310 nan 0.000 0.482 313 P HA -0.066 nan 4.420 nan 0.000 0.215 313 P C 0.519 177.849 177.300 0.051 0.000 1.153 313 P CA 1.266 64.357 63.100 -0.014 0.000 0.853 313 P CB -0.133 31.600 31.700 0.056 0.000 0.788 314 Y N -2.349 117.972 120.300 0.035 0.000 2.493 314 Y HA 0.586 5.136 4.550 0.001 0.000 0.275 314 Y C 0.983 176.921 175.900 0.064 0.000 1.183 314 Y CA -0.557 57.569 58.100 0.044 0.000 1.258 314 Y CB -0.711 37.772 38.460 0.037 0.000 1.108 314 Y HN 0.011 nan 8.280 nan 0.000 0.521 318 I N 1.105 121.760 120.570 0.140 0.000 2.619 318 I HA 0.455 4.625 4.170 0.001 0.000 0.292 318 I C -0.683 175.535 176.117 0.168 0.000 1.100 318 I CA -0.618 60.788 61.300 0.176 0.000 1.043 318 I CB 2.253 40.362 38.000 0.183 0.000 1.239 318 I HN 0.430 nan 8.210 nan 0.000 0.420 319 R N 3.820 124.431 120.500 0.184 0.000 2.538 319 R HA 0.401 4.742 4.340 0.001 0.000 0.292 319 R C -0.748 175.619 176.300 0.112 0.000 1.008 319 R CA -0.751 55.430 56.100 0.134 0.000 0.896 319 R CB 1.953 32.291 30.300 0.064 0.000 1.187 319 R HN 0.569 nan 8.270 nan 0.000 0.440 320 R N 2.039 122.572 120.500 0.055 0.000 2.490 320 R HA 0.148 4.488 4.340 0.001 0.000 0.280 320 R C -0.594 175.575 176.300 -0.218 0.000 1.077 320 R CA -0.115 55.811 56.100 -0.290 0.000 1.065 320 R CB 0.766 30.913 30.300 -0.254 0.000 1.003 320 R HN 0.457 nan 8.270 nan 0.000 0.470 321 E N 3.074 123.099 120.200 -0.293 0.000 2.266 321 E HA 0.046 4.397 4.350 0.001 0.000 0.277 321 E C -0.040 176.471 176.600 -0.147 0.000 1.018 321 E CA -0.250 56.055 56.400 -0.158 0.000 0.840 321 E CB 1.682 31.309 29.700 -0.122 0.000 1.082 321 E HN 0.673 nan 8.360 nan 0.000 0.395 322 E N 1.266 121.413 120.200 -0.088 0.000 2.400 322 E HA 0.008 4.359 4.350 0.001 0.000 0.195 322 E C -0.131 176.437 176.600 -0.054 0.000 1.012 322 E CA 0.464 56.822 56.400 -0.070 0.000 0.875 322 E CB 0.436 30.108 29.700 -0.046 0.000 0.859 322 E HN 0.257 nan 8.360 nan 0.000 0.498 323 K N 1.686 122.056 120.400 -0.050 0.000 2.098 323 K HA 0.128 4.449 4.320 0.001 0.000 0.257 323 K C 0.496 177.079 176.600 -0.028 0.000 0.999 323 K CA -0.236 56.030 56.287 -0.036 0.000 0.924 323 K CB 0.751 33.231 32.500 -0.034 0.000 1.028 323 K HN -0.038 nan 8.250 nan 0.000 0.466 324 T N -1.204 113.343 114.554 -0.012 0.000 2.856 324 T HA -0.109 4.241 4.350 0.001 0.000 0.329 324 T C 1.006 175.725 174.700 0.032 0.000 1.094 324 T CA -0.152 61.959 62.100 0.019 0.000 1.112 324 T CB 0.168 69.049 68.868 0.023 0.000 1.009 324 T HN 0.544 nan 8.240 nan 0.000 0.550 325 F N 1.767 121.672 119.950 -0.075 0.000 2.216 325 F HA 0.050 4.578 4.527 0.001 0.000 0.300 325 F C 1.878 177.633 175.800 -0.076 0.000 1.085 325 F CA 1.163 59.106 58.000 -0.096 0.000 1.326 325 F CB -0.444 38.477 39.000 -0.132 0.000 1.027 325 F HN 0.533 nan 8.300 nan 0.000 0.497 326 L N 0.044 121.176 121.223 -0.152 0.000 2.056 326 L HA -0.172 4.168 4.340 0.001 0.000 0.207 326 L C 2.359 179.135 176.870 -0.156 0.000 1.078 326 L CA 1.666 56.394 54.840 -0.188 0.000 0.749 326 L CB -0.661 41.394 42.059 -0.007 0.000 0.901 326 L HN 0.141 nan 8.230 nan 0.000 0.433 327 E N -0.609 119.535 120.200 -0.094 0.000 2.150 327 E HA -0.165 4.185 4.350 0.001 0.000 0.193 327 E C 2.207 178.755 176.600 -0.087 0.000 0.985 327 E CA 1.034 57.393 56.400 -0.068 0.000 0.814 327 E CB 0.022 29.697 29.700 -0.041 0.000 0.752 327 E HN 0.261 nan 8.360 nan 0.000 0.466 328 V N 0.710 120.549 119.914 -0.125 0.000 2.358 328 V HA -0.206 3.914 4.120 0.001 0.000 0.246 328 V C 2.256 178.265 176.094 -0.141 0.000 1.047 328 V CA 1.200 63.429 62.300 -0.117 0.000 1.035 328 V CB -0.287 31.473 31.823 -0.105 0.000 0.658 328 V HN 0.140 nan 8.190 nan 0.000 0.452 329 V N 0.398 120.149 119.914 -0.272 0.000 2.427 329 V HA -0.218 3.902 4.120 0.001 0.000 0.248 329 V C 2.697 178.774 176.094 -0.029 0.000 1.051 329 V CA 1.795 63.986 62.300 -0.181 0.000 1.048 329 V CB -1.180 30.483 31.823 -0.267 0.000 0.666 329 V HN 0.536 nan 8.190 nan 0.000 0.456 330 A N 1.439 124.232 122.820 -0.045 0.000 1.841 330 A HA -0.310 4.010 4.320 0.001 0.000 0.216 330 A C 2.227 179.814 177.584 0.004 0.000 1.199 330 A CA 2.261 54.300 52.037 0.002 0.000 0.621 330 A CB -0.780 18.211 19.000 -0.015 0.000 0.835 330 A HN 0.767 nan 8.150 nan 0.000 0.445 331 E N 0.453 120.644 120.200 -0.015 0.000 2.130 331 E HA -0.229 4.122 4.350 0.001 0.000 0.196 331 E C 1.877 178.478 176.600 0.001 0.000 0.998 331 E CA 1.945 58.340 56.400 -0.009 0.000 0.806 331 E CB -0.578 29.112 29.700 -0.017 0.000 0.738 331 E HN 0.647 nan 8.360 nan 0.000 0.459 332 S N 0.700 116.402 115.700 0.003 0.000 2.447 332 S HA -0.043 4.427 4.470 0.001 0.000 0.233 332 S C 1.734 176.352 174.600 0.030 0.000 1.006 332 S CA 0.623 58.834 58.200 0.019 0.000 0.957 332 S CB -0.290 62.926 63.200 0.027 0.000 0.773 332 S HN 0.364 nan 8.310 nan 0.000 0.507 333 L N 1.043 122.288 121.223 0.036 0.000 2.700 333 L HA 0.389 4.729 4.340 0.001 0.000 0.234 333 L C 1.438 178.323 176.870 0.025 0.000 1.156 333 L CA 0.132 54.995 54.840 0.037 0.000 0.946 333 L CB -0.327 41.767 42.059 0.059 0.000 1.216 333 L HN 0.535 nan 8.230 nan 0.000 0.493 334 G N 1.113 109.924 108.800 0.017 0.000 2.221 334 G HA2 -0.263 3.698 3.960 0.001 0.000 0.265 334 G HA3 -0.263 3.698 3.960 0.001 0.000 0.265 334 G C -0.139 174.768 174.900 0.012 0.000 1.041 334 G CA 0.124 45.231 45.100 0.011 0.000 0.807 334 G HN 0.285 nan 8.290 nan 0.000 0.502 335 L N -1.470 119.762 121.223 0.016 0.000 2.341 335 L HA 0.545 4.885 4.340 0.001 0.000 0.267 335 L C 1.452 178.326 176.870 0.007 0.000 1.009 335 L CA -0.927 53.922 54.840 0.015 0.000 0.819 335 L CB 1.676 43.752 42.059 0.029 0.000 1.323 335 L HN 0.080 nan 8.230 nan 0.000 0.425 336 K N 1.434 121.836 120.400 0.004 0.000 2.062 336 K HA -0.009 4.312 4.320 0.001 0.000 0.205 336 K C 0.106 176.704 176.600 -0.003 0.000 1.051 336 K CA 1.163 57.450 56.287 -0.001 0.000 0.941 336 K CB 0.395 32.894 32.500 -0.002 0.000 0.719 336 K HN 0.686 nan 8.250 nan 0.000 0.440 337 K N -0.286 120.114 120.400 0.000 0.000 2.562 337 K HA 0.251 4.571 4.320 0.001 0.000 0.267 337 K C -1.367 175.235 176.600 0.004 0.000 0.938 337 K CA -0.812 55.474 56.287 -0.003 0.000 0.840 337 K CB 1.183 33.679 32.500 -0.007 0.000 1.390 337 K HN -0.093 nan 8.250 nan 0.000 0.428 338 L N 2.601 123.825 121.223 0.001 0.000 2.350 338 L HA 0.453 4.794 4.340 0.001 0.000 0.275 338 L C 0.428 177.289 176.870 -0.016 0.000 1.099 338 L CA -0.918 53.924 54.840 0.003 0.000 0.808 338 L CB 1.124 43.179 42.059 -0.005 0.000 1.149 338 L HN 0.558 nan 8.230 nan 0.000 0.442 339 R N 1.466 121.954 120.500 -0.021 0.000 2.441 339 R HA 0.512 4.853 4.340 0.001 0.000 0.284 339 R C -1.105 175.158 176.300 -0.062 0.000 1.070 339 R CA -0.457 55.622 56.100 -0.036 0.000 1.047 339 R CB 1.415 31.696 30.300 -0.032 0.000 1.016 339 R HN 0.311 nan 8.270 nan 0.000 0.477 340 V N 3.697 123.572 119.914 -0.065 0.000 2.577 340 V HA 0.281 4.401 4.120 0.001 0.000 0.303 340 V C -0.473 175.564 176.094 -0.095 0.000 1.042 340 V CA -0.823 61.427 62.300 -0.083 0.000 0.872 340 V CB 2.136 33.926 31.823 -0.055 0.000 0.998 340 V HN 0.433 nan 8.190 nan 0.000 0.423 341 V N 4.395 124.236 119.914 -0.122 0.000 2.370 341 V HA 0.391 4.512 4.120 0.001 0.000 0.283 341 V C 0.156 176.169 176.094 -0.136 0.000 1.023 341 V CA -0.637 61.579 62.300 -0.140 0.000 0.857 341 V CB 1.542 33.267 31.823 -0.163 0.000 0.985 341 V HN 0.904 nan 8.190 nan 0.000 0.443 342 E N 2.959 123.076 120.200 -0.139 0.000 2.331 342 E HA 0.633 4.983 4.350 0.001 0.000 0.272 342 E C -0.461 176.039 176.600 -0.167 0.000 1.036 342 E CA -0.210 56.114 56.400 -0.127 0.000 0.864 342 E CB 1.464 31.086 29.700 -0.129 0.000 1.035 342 E HN 0.775 nan 8.360 nan 0.000 0.408 343 T N 0.060 114.555 114.554 -0.099 0.000 2.792 343 T HA 0.622 4.973 4.350 0.001 0.000 0.303 343 T C -0.052 174.706 174.700 0.097 0.000 1.310 343 T CA -0.486 61.551 62.100 -0.104 0.000 1.007 343 T CB 1.606 70.415 68.868 -0.098 0.000 1.335 343 T HN 0.829 nan 8.240 nan 0.000 0.504 344 G N -0.980 107.872 108.800 0.086 0.000 2.880 344 G HA2 0.317 4.278 3.960 0.001 0.000 0.617 344 G HA3 0.317 4.278 3.960 0.001 0.000 0.617 344 G C 0.548 176.012 174.900 0.941 0.000 1.493 344 G CA 0.259 45.647 45.100 0.479 0.000 0.916 344 G HN 1.955 nan 8.290 nan 0.000 0.553 345 G N -0.956 108.633 108.800 1.315 0.000 3.847 345 G HA2 0.263 4.224 3.960 0.001 0.000 0.189 345 G HA3 0.263 4.224 3.960 0.001 0.000 0.189 345 G C 0.600 175.893 174.900 0.654 0.000 0.907 345 G CA 0.601 46.340 45.100 1.064 0.000 0.893 345 G HN 2.069 nan 8.290 nan 0.000 0.379 346 N N 0.227 119.237 118.700 0.516 0.000 2.714 346 N HA -0.223 4.517 4.740 0.001 0.000 0.250 346 N C 1.112 176.589 175.510 -0.056 0.000 1.117 346 N CA 2.221 55.297 53.050 0.043 0.000 0.719 346 N CB -1.580 36.967 38.487 0.100 0.000 1.081 346 N HN 1.245 nan 8.380 nan 0.000 0.557 347 S N -1.933 113.672 115.700 -0.158 0.000 5.433 347 S HA 0.133 4.604 4.470 0.001 0.000 0.146 347 S C 0.668 175.160 174.600 -0.181 0.000 1.105 347 S CA -0.021 58.112 58.200 -0.113 0.000 1.385 347 S CB -0.115 63.114 63.200 0.049 0.000 1.966 347 S HN 0.219 nan 8.310 nan 0.000 0.575 352 R N 1.208 121.649 120.500 -0.098 0.000 2.604 352 R HA 0.241 4.582 4.340 0.001 0.000 0.270 352 R C -0.044 176.159 176.300 -0.161 0.000 1.052 352 R CA -0.406 55.498 56.100 -0.326 0.000 0.902 352 R CB 1.398 31.084 30.300 -1.023 0.000 1.233 352 R HN 0.037 nan 8.270 nan 0.000 0.455 353 E N 1.142 121.238 120.200 -0.174 0.000 2.236 353 E HA -0.285 4.066 4.350 0.001 0.000 0.205 353 E C -0.369 176.236 176.600 0.008 0.000 1.028 353 E CA 2.102 58.466 56.400 -0.060 0.000 0.827 353 E CB 0.238 29.909 29.700 -0.050 0.000 0.735 353 E HN 0.555 nan 8.360 nan 0.000 0.470 354 Q N -1.923 117.900 119.800 0.038 0.000 2.527 354 Q HA 0.162 4.502 4.340 0.001 0.000 0.280 354 Q C -1.728 174.419 176.000 0.245 0.000 0.977 354 Q CA -0.917 54.966 55.803 0.133 0.000 0.837 354 Q CB 0.094 28.903 28.738 0.119 0.000 1.454 354 Q HN 0.199 nan 8.270 nan 0.000 0.387 355 W N 4.040 125.402 121.300 0.104 0.000 2.170 355 W HA 0.448 5.109 4.660 0.001 0.000 0.336 355 W C -0.764 175.881 176.519 0.210 0.000 1.283 355 W CA 1.342 58.795 57.345 0.179 0.000 1.224 355 W CB 0.850 30.302 29.460 -0.013 0.000 1.132 355 W HN 0.884 nan 8.180 nan 0.000 0.571 356 D N 3.090 122.959 120.400 -0.885 0.000 2.653 356 D HA 0.152 4.793 4.640 0.001 0.000 0.258 356 D C -2.133 173.421 176.300 -1.245 0.000 1.252 356 D CA -0.671 52.756 54.000 -0.955 0.000 0.777 356 D CB 1.437 42.098 40.800 -0.232 0.000 1.339 356 D HN 0.276 nan 8.370 nan 0.000 0.422 357 D N -0.291 119.646 120.400 -0.772 0.000 2.473 357 D HA 0.430 5.070 4.640 0.001 0.000 0.253 357 D C 0.345 176.555 176.300 -0.151 0.000 1.233 357 D CA -0.501 53.269 54.000 -0.383 0.000 0.908 357 D CB 1.509 42.203 40.800 -0.176 0.000 1.170 357 D HN 0.541 nan 8.370 nan 0.000 0.558 358 G N 2.955 111.677 108.800 -0.130 0.000 3.233 358 G HA2 -0.043 3.918 3.960 0.001 0.000 0.227 358 G HA3 -0.043 3.918 3.960 0.001 0.000 0.227 358 G C 0.806 175.658 174.900 -0.080 0.000 1.175 358 G CA -0.295 44.753 45.100 -0.087 0.000 0.781 358 G HN 0.330 nan 8.290 nan 0.000 0.542 359 N N 1.156 119.819 118.700 -0.061 0.000 2.371 359 N HA 0.012 4.752 4.740 0.001 0.000 0.243 359 N C 0.794 176.268 175.510 -0.060 0.000 1.287 359 N CA 0.207 53.220 53.050 -0.062 0.000 0.911 359 N CB 0.215 38.688 38.487 -0.023 0.000 1.142 359 N HN 0.244 nan 8.380 nan 0.000 0.451 360 N N -0.916 117.738 118.700 -0.076 0.000 2.882 360 N HA -0.183 4.557 4.740 0.001 0.000 0.249 360 N C -0.406 175.081 175.510 -0.039 0.000 1.079 360 N CA 0.265 53.292 53.050 -0.038 0.000 0.800 360 N CB -1.101 37.389 38.487 0.007 0.000 1.124 360 N HN 0.378 nan 8.380 nan 0.000 0.557 361 V N -1.610 118.260 119.914 -0.073 0.000 3.051 361 V HA 0.561 4.681 4.120 0.001 0.000 0.306 361 V C 0.883 177.006 176.094 0.049 0.000 1.083 361 V CA -0.404 61.854 62.300 -0.071 0.000 1.104 361 V CB 1.825 33.603 31.823 -0.073 0.000 1.027 361 V HN 0.013 nan 8.190 nan 0.000 0.483 362 V N 4.725 124.682 119.914 0.071 0.000 2.459 362 V HA 0.444 4.565 4.120 0.001 0.000 0.295 362 V C 0.157 176.317 176.094 0.109 0.000 1.029 362 V CA -0.506 61.889 62.300 0.158 0.000 0.874 362 V CB 1.142 33.068 31.823 0.171 0.000 0.985 362 V HN 1.340 nan 8.190 nan 0.000 0.438 363 C N 6.760 126.129 119.300 0.115 0.000 2.585 363 C HA 0.380 4.841 4.460 0.001 0.000 0.406 363 C C 1.512 176.532 174.990 0.051 0.000 1.312 363 C CA -0.379 58.682 59.018 0.072 0.000 1.924 363 C CB -0.534 27.253 27.740 0.079 0.000 2.578 363 C HN 0.988 nan 8.230 nan 0.000 0.580 364 L N 3.138 124.378 121.223 0.030 0.000 2.408 364 L HA 0.329 4.669 4.340 0.001 0.000 0.215 364 L C 0.906 177.778 176.870 0.003 0.000 1.081 364 L CA 0.811 55.657 54.840 0.009 0.000 0.840 364 L CB -0.256 41.801 42.059 -0.002 0.000 1.002 364 L HN 0.738 nan 8.230 nan 0.000 0.468 365 E N -1.727 118.478 120.200 0.007 0.000 2.422 365 E HA 0.264 4.615 4.350 0.001 0.000 0.280 365 E C -2.686 173.918 176.600 0.008 0.000 1.091 365 E CA -1.854 54.548 56.400 0.004 0.000 0.849 365 E CB 1.639 31.338 29.700 -0.002 0.000 1.353 365 E HN -0.257 nan 8.360 nan 0.000 0.449 366 P HA 0.046 nan 4.420 nan 0.000 0.263 366 P C 0.495 177.799 177.300 0.006 0.000 1.195 366 P CA 1.264 64.370 63.100 0.009 0.000 0.762 366 P CB 0.242 31.945 31.700 0.006 0.000 0.799 367 G N 1.688 110.494 108.800 0.009 0.000 2.184 367 G HA2 -0.208 3.753 3.960 0.001 0.000 0.264 367 G HA3 -0.208 3.753 3.960 0.001 0.000 0.264 367 G C -0.029 174.870 174.900 -0.002 0.000 0.975 367 G CA -0.054 45.047 45.100 0.001 0.000 0.642 367 G HN 0.529 nan 8.290 nan 0.000 0.536 368 V N 0.265 120.180 119.914 0.003 0.000 2.444 368 V HA 0.772 4.892 4.120 0.001 0.000 0.294 368 V C -0.018 176.082 176.094 0.009 0.000 1.022 368 V CA -0.742 61.559 62.300 0.002 0.000 0.850 368 V CB 1.863 33.686 31.823 -0.001 0.000 0.992 368 V HN 0.272 nan 8.190 nan 0.000 0.426 369 V N 4.953 124.871 119.914 0.006 0.000 3.007 369 V HA 0.571 4.691 4.120 0.001 0.000 0.311 369 V C -0.759 175.344 176.094 0.015 0.000 1.120 369 V CA -0.569 61.738 62.300 0.012 0.000 0.980 369 V CB 2.993 34.813 31.823 -0.004 0.000 1.033 369 V HN 0.580 nan 8.190 nan 0.000 0.429 370 V N 3.381 123.314 119.914 0.031 0.000 2.370 370 V HA 0.868 4.989 4.120 0.001 0.000 0.283 370 V C 0.583 176.638 176.094 -0.065 0.000 1.023 370 V CA 0.325 62.646 62.300 0.035 0.000 0.857 370 V CB 1.091 33.017 31.823 0.171 0.000 0.985 370 V HN 1.031 nan 8.190 nan 0.000 0.443 371 G N 2.977 111.724 108.800 -0.088 0.000 3.105 371 G HA2 0.625 4.586 3.960 0.001 0.000 0.277 371 G HA3 0.625 4.586 3.960 0.001 0.000 0.277 371 G C -1.660 173.169 174.900 -0.117 0.000 1.375 371 G CA -0.684 44.319 45.100 -0.162 0.000 0.962 371 G HN 0.458 nan 8.290 nan 0.000 0.541 372 Y N 0.454 120.731 120.300 -0.039 0.000 2.361 372 Y HA 0.190 4.741 4.550 0.001 0.000 0.332 372 Y C 1.526 177.417 175.900 -0.014 0.000 1.101 372 Y CA -0.793 57.288 58.100 -0.032 0.000 1.137 372 Y CB 2.035 40.482 38.460 -0.022 0.000 1.207 372 Y HN 0.703 nan 8.280 nan 0.000 0.463 373 D N 1.629 122.139 120.400 0.183 0.000 2.149 373 D HA -0.265 4.376 4.640 0.001 0.000 0.198 373 D C 1.602 177.950 176.300 0.080 0.000 0.990 373 D CA 1.583 55.641 54.000 0.097 0.000 0.839 373 D CB -0.256 40.586 40.800 0.069 0.000 0.948 373 D HN 0.700 nan 8.370 nan 0.000 0.460 374 R N 0.259 120.805 120.500 0.077 0.000 2.148 374 R HA 0.024 4.364 4.340 0.001 0.000 0.227 374 R C 0.564 176.907 176.300 0.071 0.000 1.103 374 R CA 0.730 56.867 56.100 0.062 0.000 0.983 374 R CB -0.687 29.635 30.300 0.037 0.000 0.874 374 R HN -0.039 nan 8.270 nan 0.000 0.451 375 N N 2.189 120.936 118.700 0.077 0.000 3.193 375 N HA -0.031 4.710 4.740 0.001 0.000 0.312 375 N C 0.347 175.883 175.510 0.045 0.000 1.261 375 N CA 0.798 53.874 53.050 0.043 0.000 1.208 375 N CB 0.942 39.445 38.487 0.026 0.000 1.471 375 N HN 0.455 nan 8.380 nan 0.000 0.548 376 T N -2.331 112.265 114.554 0.071 0.000 2.759 376 T HA -0.233 4.117 4.350 0.001 0.000 0.269 376 T C 1.754 176.526 174.700 0.119 0.000 1.042 376 T CA 0.840 62.988 62.100 0.081 0.000 1.140 376 T CB -0.394 68.526 68.868 0.086 0.000 0.864 376 T HN 0.331 nan 8.240 nan 0.000 0.455 377 Y N 2.681 122.971 120.300 -0.017 0.000 2.109 377 Y HA -0.058 4.493 4.550 0.001 0.000 0.285 377 Y C 2.737 178.607 175.900 -0.051 0.000 1.131 377 Y CA 1.636 59.719 58.100 -0.029 0.000 1.121 377 Y CB -1.038 37.405 38.460 -0.030 0.000 0.987 377 Y HN 0.243 nan 8.280 nan 0.000 0.495 378 T N 1.163 115.584 114.554 -0.222 0.000 2.759 378 T HA -0.187 4.164 4.350 0.001 0.000 0.269 378 T C 1.687 176.260 174.700 -0.211 0.000 1.042 378 T CA 1.529 63.435 62.100 -0.323 0.000 1.140 378 T CB -0.339 68.402 68.868 -0.211 0.000 0.864 378 T HN 0.329 nan 8.240 nan 0.000 0.455 379 N N 1.038 119.673 118.700 -0.108 0.000 2.149 379 N HA -0.099 4.642 4.740 0.001 0.000 0.188 379 N C 2.289 177.754 175.510 -0.075 0.000 1.019 379 N CA 1.867 54.875 53.050 -0.070 0.000 0.857 379 N CB -0.681 37.794 38.487 -0.020 0.000 0.997 379 N HN 0.656 nan 8.380 nan 0.000 0.426 380 T N -1.473 113.038 114.554 -0.071 0.000 2.985 380 T HA 0.103 4.454 4.350 0.001 0.000 0.266 380 T C 1.991 176.630 174.700 -0.103 0.000 1.076 380 T CA 0.332 62.400 62.100 -0.052 0.000 1.135 380 T CB -0.262 68.612 68.868 0.010 0.000 0.890 380 T HN 0.081 nan 8.240 nan 0.000 0.480 381 L N -0.333 120.763 121.223 -0.211 0.000 2.217 381 L HA 0.121 4.462 4.340 0.001 0.000 0.211 381 L C 2.441 179.213 176.870 -0.164 0.000 1.107 381 L CA 0.296 54.995 54.840 -0.236 0.000 0.783 381 L CB -0.471 41.334 42.059 -0.423 0.000 0.919 381 L HN 0.246 nan 8.230 nan 0.000 0.442 382 L N -0.132 121.002 121.223 -0.148 0.000 2.072 382 L HA -0.087 4.254 4.340 0.001 0.000 0.205 382 L C 2.682 179.507 176.870 -0.075 0.000 1.079 382 L CA 1.607 56.382 54.840 -0.109 0.000 0.752 382 L CB -0.639 41.359 42.059 -0.101 0.000 0.906 382 L HN 0.092 nan 8.230 nan 0.000 0.436 383 R N -0.597 119.865 120.500 -0.063 0.000 2.073 383 R HA -0.151 4.190 4.340 0.001 0.000 0.234 383 R C 2.161 178.438 176.300 -0.038 0.000 1.134 383 R CA 1.309 57.385 56.100 -0.041 0.000 0.952 383 R CB -0.234 30.049 30.300 -0.029 0.000 0.850 383 R HN 0.248 nan 8.270 nan 0.000 0.433 384 K N 0.065 120.439 120.400 -0.044 0.000 2.211 384 K HA -0.077 4.243 4.320 0.001 0.000 0.204 384 K C 1.600 178.176 176.600 -0.039 0.000 1.047 384 K CA 1.247 57.513 56.287 -0.037 0.000 0.935 384 K CB 0.058 32.535 32.500 -0.039 0.000 0.728 384 K HN 0.160 nan 8.250 nan 0.000 0.452 385 A N -0.026 122.763 122.820 -0.051 0.000 2.278 385 A HA 0.258 4.578 4.320 0.001 0.000 0.212 385 A C 1.180 178.742 177.584 -0.036 0.000 1.213 385 A CA 0.633 52.642 52.037 -0.048 0.000 0.840 385 A CB -0.119 18.842 19.000 -0.064 0.000 0.866 385 A HN 0.376 nan 8.150 nan 0.000 0.489 386 G N -1.702 107.079 108.800 -0.031 0.000 2.159 386 G HA2 -0.165 3.796 3.960 0.001 0.000 0.227 386 G HA3 -0.165 3.796 3.960 0.001 0.000 0.227 386 G C 0.026 174.913 174.900 -0.021 0.000 0.986 386 G CA 0.002 45.088 45.100 -0.022 0.000 0.651 386 G HN 0.810 nan 8.290 nan 0.000 0.523 387 V N 0.821 120.719 119.914 -0.027 0.000 2.439 387 V HA 0.523 4.644 4.120 0.001 0.000 0.282 387 V C 0.624 176.706 176.094 -0.020 0.000 1.039 387 V CA -0.782 61.504 62.300 -0.023 0.000 0.913 387 V CB 1.899 33.704 31.823 -0.031 0.000 0.983 387 V HN 0.375 nan 8.190 nan 0.000 0.460 388 E N 3.249 123.441 120.200 -0.014 0.000 2.223 388 E HA 0.342 4.692 4.350 0.001 0.000 0.282 388 E C -1.274 175.320 176.600 -0.011 0.000 1.046 388 E CA -0.341 56.052 56.400 -0.011 0.000 0.857 388 E CB 1.296 30.991 29.700 -0.008 0.000 1.055 388 E HN 0.533 nan 8.360 nan 0.000 0.409 389 V N 7.139 127.047 119.914 -0.011 0.000 2.311 389 V HA 0.225 4.346 4.120 0.001 0.000 0.275 389 V C 0.266 176.361 176.094 0.000 0.000 1.022 389 V CA -0.701 61.593 62.300 -0.010 0.000 0.830 389 V CB 0.811 32.623 31.823 -0.019 0.000 1.012 389 V HN 0.645 nan 8.190 nan 0.000 0.452 390 I N 4.945 125.519 120.570 0.007 0.000 2.441 390 I HA 0.339 4.510 4.170 0.001 0.000 0.287 390 I C 0.781 176.913 176.117 0.024 0.000 1.049 390 I CA 0.328 61.638 61.300 0.017 0.000 1.381 390 I CB 1.638 39.654 38.000 0.027 0.000 1.409 390 I HN 0.680 nan 8.210 nan 0.000 0.523 391 T N 5.015 119.588 114.554 0.032 0.000 2.912 391 T HA 0.840 5.190 4.350 0.001 0.000 0.288 391 T C -0.300 174.438 174.700 0.064 0.000 1.030 391 T CA -0.758 61.370 62.100 0.045 0.000 1.020 391 T CB 2.427 71.325 68.868 0.051 0.000 1.056 391 T HN 0.530 nan 8.240 nan 0.000 0.480 392 I N -1.617 119.007 120.570 0.091 0.000 3.042 392 I HA 0.750 4.920 4.170 0.001 0.000 0.310 392 I C -0.147 176.056 176.117 0.144 0.000 1.117 392 I CA -1.226 60.135 61.300 0.102 0.000 1.003 392 I CB 2.170 40.214 38.000 0.073 0.000 1.228 392 I HN 0.651 nan 8.210 nan 0.000 0.443 393 S N 1.571 117.325 115.700 0.089 0.000 2.528 393 S HA 0.539 5.010 4.470 0.001 0.000 0.277 393 S C 0.733 175.315 174.600 -0.030 0.000 1.297 393 S CA 0.141 58.365 58.200 0.040 0.000 1.052 393 S CB 1.055 64.267 63.200 0.019 0.000 0.917 393 S HN 0.822 nan 8.310 nan 0.000 0.492 394 A N 4.156 126.859 122.820 -0.195 0.000 2.348 394 A HA 0.231 4.552 4.320 0.001 0.000 0.224 394 A C 2.053 179.481 177.584 -0.260 0.000 1.227 394 A CA 0.380 52.092 52.037 -0.542 0.000 0.885 394 A CB -0.462 17.895 19.000 -1.071 0.000 0.933 394 A HN 0.770 nan 8.150 nan 0.000 0.506 395 S N 0.608 116.247 115.700 -0.103 0.000 2.372 395 S HA -0.197 4.274 4.470 0.001 0.000 0.227 395 S C 1.794 176.405 174.600 0.018 0.000 1.044 395 S CA 1.951 60.141 58.200 -0.017 0.000 1.050 395 S CB -0.118 63.108 63.200 0.044 0.000 0.901 395 S HN 0.689 nan 8.310 nan 0.000 0.447 396 E N 0.026 120.241 120.200 0.025 0.000 2.175 396 E HA 0.174 4.524 4.350 0.001 0.000 0.195 396 E C 2.109 178.752 176.600 0.071 0.000 0.934 396 E CA 0.147 56.590 56.400 0.072 0.000 0.870 396 E CB -0.637 29.106 29.700 0.072 0.000 0.838 396 E HN 0.269 nan 8.360 nan 0.000 0.474 397 L N 0.854 122.104 121.223 0.045 0.000 2.046 397 L HA -0.028 4.313 4.340 0.001 0.000 0.208 397 L C 2.011 178.959 176.870 0.131 0.000 1.077 397 L CA 1.951 56.854 54.840 0.105 0.000 0.747 397 L CB -1.100 41.042 42.059 0.137 0.000 0.896 397 L HN 0.195 nan 8.230 nan 0.000 0.432 398 G N -1.961 106.784 108.800 -0.092 0.000 3.609 398 G HA2 0.009 3.970 3.960 0.001 0.000 0.280 398 G HA3 0.009 3.970 3.960 0.001 0.000 0.280 398 G C 1.289 176.147 174.900 -0.071 0.000 1.155 398 G CA -0.401 44.609 45.100 -0.151 0.000 0.876 398 G HN 0.200 nan 8.290 nan 0.000 0.535 399 R N 0.165 120.668 120.500 0.005 0.000 2.362 399 R HA 0.270 4.610 4.340 0.001 0.000 0.204 399 R C 1.175 177.483 176.300 0.014 0.000 1.088 399 R CA 0.766 56.881 56.100 0.025 0.000 1.121 399 R CB -0.249 30.099 30.300 0.080 0.000 0.954 399 R HN 0.425 nan 8.270 nan 0.000 0.478 400 G N -0.129 108.677 108.800 0.010 0.000 2.825 400 G HA2 -0.074 3.886 3.960 0.001 0.000 0.100 400 G HA3 -0.074 3.886 3.960 0.001 0.000 0.100 400 G C -0.611 174.285 174.900 -0.007 0.000 1.195 400 G CA -0.360 44.726 45.100 -0.022 0.000 1.317 400 G HN 0.278 nan 8.290 nan 0.000 0.632 401 R N 1.181 121.635 120.500 -0.077 0.000 2.335 401 R HA 0.446 4.786 4.340 0.001 0.000 0.223 401 R C 1.237 177.464 176.300 -0.121 0.000 0.940 401 R CA 0.812 56.849 56.100 -0.106 0.000 1.086 401 R CB -0.331 29.859 30.300 -0.182 0.000 1.073 401 R HN 0.667 nan 8.270 nan 0.000 0.504 402 G N 0.122 108.963 108.800 0.068 0.000 2.413 402 G HA2 0.344 4.305 3.960 0.001 0.000 0.300 402 G HA3 0.344 4.305 3.960 0.001 0.000 0.300 402 G C 0.127 175.196 174.900 0.281 0.000 1.370 402 G CA 0.091 45.393 45.100 0.337 0.000 1.110 402 G HN 0.647 nan 8.290 nan 0.000 0.596 403 G N -3.664 105.324 108.800 0.313 0.000 2.307 403 G HA2 0.500 4.460 3.960 0.001 0.000 0.348 403 G HA3 0.500 4.460 3.960 0.001 0.000 0.348 403 G C 0.634 175.461 174.900 -0.123 0.000 1.603 403 G CA 0.137 45.210 45.100 -0.044 0.000 0.961 403 G HN 1.421 nan 8.290 nan 0.000 0.686 404 G N -0.545 108.034 108.800 -0.369 0.000 2.442 404 G HA2 -0.187 3.774 3.960 0.001 0.000 0.219 404 G HA3 -0.187 3.774 3.960 0.001 0.000 0.219 404 G C 1.309 176.237 174.900 0.047 0.000 1.141 404 G CA 1.833 46.776 45.100 -0.262 0.000 0.763 404 G HN 0.890 nan 8.290 nan 0.000 0.554 405 H N -0.020 119.046 119.070 -0.007 0.000 2.321 405 H HA -0.044 4.513 4.556 0.001 0.000 0.300 405 H C 1.287 176.681 175.328 0.110 0.000 1.087 405 H CA 1.194 57.279 56.048 0.061 0.000 1.319 405 H CB -0.290 29.494 29.762 0.038 0.000 1.379 405 H HN 0.256 nan 8.280 nan 0.000 0.501 409 C N 3.923 123.276 119.300 0.088 0.000 2.437 409 C HA 0.660 5.121 4.460 0.001 0.000 0.307 409 C C -2.726 172.322 174.990 0.097 0.000 1.093 409 C CA -1.605 57.488 59.018 0.125 0.000 1.463 409 C CB -0.700 27.162 27.740 0.204 0.000 1.926 409 C HN 0.775 nan 8.230 nan 0.000 0.420 410 P HA 0.232 nan 4.420 nan 0.000 0.268 410 P C 0.438 177.672 177.300 -0.109 0.000 1.204 410 P CA 0.396 63.485 63.100 -0.018 0.000 0.768 410 P CB 0.632 32.330 31.700 -0.003 0.000 0.842 411 I N 1.613 121.993 120.570 -0.318 0.000 3.366 411 I HA 0.052 4.222 4.170 0.001 0.000 0.267 411 I C 0.137 175.929 176.117 -0.541 0.000 1.149 411 I CA 0.466 61.284 61.300 -0.802 0.000 1.436 411 I CB 0.332 37.917 38.000 -0.692 0.000 1.379 411 I HN 0.007 nan 8.210 nan 0.000 0.460 412 V N 2.879 122.606 119.914 -0.311 0.000 2.350 412 V HA 0.426 4.546 4.120 0.001 0.000 0.285 412 V C -0.344 175.698 176.094 -0.087 0.000 1.014 412 V CA -0.521 61.672 62.300 -0.179 0.000 0.831 412 V CB 1.353 33.091 31.823 -0.143 0.000 1.000 412 V HN 0.238 nan 8.190 nan 0.000 0.433 413 R N 2.870 123.346 120.500 -0.039 0.000 2.483 413 R HA 0.396 4.737 4.340 0.001 0.000 0.303 413 R C -1.014 175.357 176.300 0.119 0.000 0.987 413 R CA -0.672 55.436 56.100 0.013 0.000 0.881 413 R CB 1.408 31.706 30.300 -0.003 0.000 1.177 413 R HN 0.666 nan 8.270 nan 0.000 0.451 414 D N 5.033 125.497 120.400 0.108 0.000 2.390 414 D HA 0.069 4.710 4.640 0.001 0.000 0.236 414 D C -1.997 174.390 176.300 0.146 0.000 1.189 414 D CA -0.746 53.332 54.000 0.130 0.000 0.887 414 D CB 0.623 41.456 40.800 0.055 0.000 1.198 414 D HN 0.334 nan 8.370 nan 0.000 0.444 415 P HA 0.262 nan 4.420 nan 0.000 0.279 415 P C 0.464 177.795 177.300 0.052 0.000 1.276 415 P CA -0.299 62.868 63.100 0.112 0.000 0.801 415 P CB 1.319 33.045 31.700 0.044 0.000 1.127 416 I N -0.651 119.942 120.570 0.038 0.000 4.049 416 I HA 0.160 4.330 4.170 0.001 0.000 0.237 416 I C 0.395 176.515 176.117 0.006 0.000 1.076 416 I CA 0.697 62.005 61.300 0.013 0.000 1.610 416 I CB 0.049 38.046 38.000 -0.005 0.000 1.544 416 I HN 0.461 nan 8.210 nan 0.000 0.458 417 D N 0.000 120.403 120.400 0.006 0.000 6.856 417 D HA 0.000 4.641 4.640 0.001 0.000 0.175 417 D CA 0.000 54.001 54.000 0.002 0.000 0.868 417 D CB 0.000 40.800 40.800 -0.000 0.000 0.688 417 D HN 0.000 nan 8.370 nan 0.000 0.683