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 1m1c_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLRFVTKNSQ DKSSDLFSIC SDRGTFVAHN RVRTDFKFDN LVFNRVYGVS DATA SEQUENCE QKFTLVGNPT VCFNEGSSYL EGIAKKYLTL DGGLAIDNVL NELRSTCGIP DATA SEQUENCE GNAVASHAYN ITSWRWYDNH VALLMNMLRA YHLQVLTEQG QYSAGDIPMY DATA SEQUENCE HDGHVKIKLP VTIDDTAGPT QFAWPSDRST DSYPDWAQFS ESFPSIDVPY DATA SEQUENCE LDVRPLTVTE VNFVLMMMSK WHRRTNLAID YEAPQLADKF AYRHALTVQD DATA SEQUENCE ADEWIEGDRT DDQFRPPSSK VMLSALRKYV NHNRLYNQFY TAAQLLAQIM DATA SEQUENCE MKPVPNCAEG YAWLMHDALV NIPKFGSIRG RYPFLLSGDA ALIQATALED DATA SEQUENCE WSAIMAKPEL VFTYAMQVSV ALNTGLYLRR VKKTGFGTTI DDSYEDGAFL DATA SEQUENCE QPETFVQAAL ACCTGQDAPL NGMSDVYVTY PDLLEFDAVT QVPITVIEPA DATA SEQUENCE GYNIVDDHLV VVGVPVACSP YMIFPVAAFD TANPYCGNFV IKAANKYLRK DATA SEQUENCE GAVYDKLEAW KLAWALRVAG YDTHFKVYGD THGLTKFYAD NGDTWTHIPE DATA SEQUENCE FVTDGDVMEV FVTAIERRAR HFVELPRLNS PAFFRSVEVS TTIYDTHVQA DATA SEQUENCE GAHAVYHASR INLDYVKPVS TGIQVINAGE LKNYWGSVRR TQQGLGVVGL DATA SEQUENCE T 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.391 176.300 0.152 0.000 1.140 1 M CA 0.000 55.316 55.300 0.027 0.000 0.988 1 M CB 0.000 32.399 32.600 -0.335 0.000 1.302 2 L N 1.762 123.070 121.223 0.141 0.000 2.017 2 L HA -0.061 4.279 4.340 0.000 0.000 0.208 2 L C 1.902 178.885 176.870 0.188 0.000 1.073 2 L CA 2.168 57.100 54.840 0.154 0.000 0.745 2 L CB -0.852 41.277 42.059 0.118 0.000 0.894 2 L HN 0.475 nan 8.230 nan 0.000 0.432 3 R N -1.371 119.240 120.500 0.185 0.000 2.152 3 R HA -0.220 4.120 4.340 0.000 0.000 0.232 3 R C 2.080 178.504 176.300 0.206 0.000 1.117 3 R CA 1.666 57.863 56.100 0.163 0.000 0.981 3 R CB -0.418 29.967 30.300 0.142 0.000 0.870 3 R HN 0.362 nan 8.270 nan 0.000 0.451 4 F N 0.417 120.460 119.950 0.156 0.000 2.039 4 F HA -0.201 4.326 4.527 0.000 0.000 0.294 4 F C 2.185 178.086 175.800 0.168 0.000 1.130 4 F CA 1.655 59.764 58.000 0.181 0.000 1.189 4 F CB -0.790 38.393 39.000 0.305 0.000 0.983 4 F HN -0.182 nan 8.300 nan 0.000 0.471 5 V N 0.339 120.453 119.914 0.332 0.000 2.332 5 V HA -0.265 3.855 4.120 0.000 0.000 0.248 5 V C 2.383 178.489 176.094 0.020 0.000 1.055 5 V CA 3.176 65.563 62.300 0.145 0.000 1.038 5 V CB -1.073 30.995 31.823 0.408 0.000 0.651 5 V HN 0.748 nan 8.190 nan 0.000 0.450 6 T N -2.674 111.919 114.554 0.064 0.000 2.942 6 T HA -0.037 4.313 4.350 0.000 0.000 0.265 6 T C 0.889 175.589 174.700 0.000 0.000 1.062 6 T CA 0.914 63.037 62.100 0.039 0.000 1.139 6 T CB -0.345 68.557 68.868 0.056 0.000 0.883 6 T HN 0.705 nan 8.240 nan 0.000 0.468 7 K N 1.275 121.659 120.400 -0.027 0.000 3.269 7 K HA -0.121 4.199 4.320 0.000 0.000 0.283 7 K C -0.025 176.574 176.600 -0.002 0.000 1.207 7 K CA 0.537 56.799 56.287 -0.041 0.000 0.821 7 K CB -2.536 29.940 32.500 -0.041 0.000 1.366 7 K HN 0.617 nan 8.250 nan 0.000 0.476 8 N N 1.073 119.785 118.700 0.020 0.000 2.677 8 N HA -0.272 4.468 4.740 0.000 0.000 0.249 8 N C -1.282 174.245 175.510 0.028 0.000 1.073 8 N CA 0.980 54.050 53.050 0.034 0.000 0.737 8 N CB -0.412 38.093 38.487 0.029 0.000 0.999 8 N HN 0.617 nan 8.380 nan 0.000 0.543 9 S N -1.145 114.572 115.700 0.028 0.000 3.877 9 S HA -0.224 4.246 4.470 0.000 0.000 0.520 9 S C -0.334 174.277 174.600 0.019 0.000 0.778 9 S CA 0.809 59.024 58.200 0.026 0.000 1.362 9 S CB -1.082 62.134 63.200 0.028 0.000 0.850 9 S HN 0.723 nan 8.310 nan 0.000 0.695 10 Q N 1.275 121.086 119.800 0.017 0.000 2.307 10 Q HA 0.657 4.997 4.340 0.000 0.000 0.262 10 Q C 0.642 176.653 176.000 0.018 0.000 0.961 10 Q CA -0.279 55.533 55.803 0.016 0.000 0.882 10 Q CB 1.042 29.787 28.738 0.013 0.000 1.264 10 Q HN 0.377 nan 8.270 nan 0.000 0.446 11 D N 1.357 121.767 120.400 0.018 0.000 2.531 11 D HA -0.392 4.248 4.640 0.000 0.000 0.176 11 D C -0.448 175.859 176.300 0.013 0.000 1.217 11 D CA 1.832 55.842 54.000 0.017 0.000 1.125 11 D CB -1.200 39.612 40.800 0.020 0.000 1.148 11 D HN 1.073 nan 8.370 nan 0.000 0.430 12 K N 0.872 121.280 120.400 0.014 0.000 6.527 12 K HA -0.147 4.173 4.320 0.000 0.000 0.707 12 K C -0.772 175.829 176.600 0.000 0.000 2.023 12 K CA 1.192 57.486 56.287 0.011 0.000 1.629 12 K CB -0.928 31.581 32.500 0.015 0.000 1.835 12 K HN 0.750 nan 8.250 nan 0.000 0.314 13 S N 1.966 117.664 115.700 -0.004 0.000 2.640 13 S HA 0.662 5.132 4.470 0.000 0.000 0.276 13 S C -1.885 172.708 174.600 -0.012 0.000 1.170 13 S CA -0.054 58.133 58.200 -0.022 0.000 1.046 13 S CB 1.292 64.480 63.200 -0.019 0.000 1.229 13 S HN 1.258 nan 8.310 nan 0.000 0.464 14 S N 1.001 116.689 115.700 -0.020 0.000 2.744 14 S HA 0.383 4.853 4.470 0.000 0.000 0.310 14 S C -2.760 171.819 174.600 -0.035 0.000 0.896 14 S CA -0.519 57.676 58.200 -0.008 0.000 0.807 14 S CB 0.911 64.113 63.200 0.003 0.000 1.007 14 S HN 0.910 nan 8.310 nan 0.000 0.483 15 D N 1.486 121.862 120.400 -0.040 0.000 2.593 15 D HA 0.676 5.316 4.640 0.000 0.000 0.251 15 D C -0.281 175.903 176.300 -0.193 0.000 1.140 15 D CA -0.726 53.196 54.000 -0.130 0.000 0.855 15 D CB 0.773 41.495 40.800 -0.130 0.000 1.267 15 D HN 0.333 nan 8.370 nan 0.000 0.532 16 L N -1.440 119.623 121.223 -0.265 0.000 2.211 16 L HA 0.864 5.204 4.340 0.000 0.000 0.259 16 L C -0.887 175.699 176.870 -0.475 0.000 1.031 16 L CA -1.037 53.692 54.840 -0.185 0.000 0.877 16 L CB 0.374 42.461 42.059 0.047 0.000 1.457 16 L HN 0.283 nan 8.230 nan 0.000 0.466 17 F N -1.622 118.409 119.950 0.135 0.000 2.764 17 F HA 0.880 5.407 4.527 0.000 0.000 0.347 17 F C 0.096 176.036 175.800 0.232 0.000 1.151 17 F CA -0.469 57.622 58.000 0.152 0.000 1.021 17 F CB 1.678 40.754 39.000 0.127 0.000 1.438 17 F HN 0.669 nan 8.300 nan 0.000 0.516 18 S N -0.049 115.763 115.700 0.187 0.000 2.599 18 S HA 0.743 5.213 4.470 0.000 0.000 0.287 18 S C -0.891 173.035 174.600 -1.123 0.000 1.105 18 S CA -1.021 57.042 58.200 -0.229 0.000 0.899 18 S CB 1.507 64.624 63.200 -0.137 0.000 1.100 18 S HN 0.513 nan 8.310 nan 0.000 0.482 19 I N 0.327 120.064 120.570 -1.388 0.000 2.826 19 I HA 0.405 4.575 4.170 0.000 0.000 0.295 19 I C 0.301 175.951 176.117 -0.779 0.000 1.213 19 I CA -0.327 60.145 61.300 -1.381 0.000 1.436 19 I CB -1.227 36.452 38.000 -0.534 0.000 1.348 19 I HN 0.938 nan 8.210 nan 0.000 0.570 20 C N 2.932 121.835 119.300 -0.661 0.000 3.254 20 C HA 0.850 5.310 4.460 0.000 0.000 0.405 20 C C -0.458 174.444 174.990 -0.146 0.000 1.027 20 C CA -0.262 58.524 59.018 -0.387 0.000 1.192 20 C CB 0.833 28.195 27.740 -0.631 0.000 1.567 20 C HN 1.272 nan 8.230 nan 0.000 0.582 21 S N 0.004 115.713 115.700 0.015 0.000 2.550 21 S HA 0.669 5.139 4.470 0.000 0.000 0.270 21 S C -1.736 172.941 174.600 0.128 0.000 1.145 21 S CA -0.229 58.064 58.200 0.155 0.000 0.852 21 S CB 1.810 65.131 63.200 0.202 0.000 1.119 21 S HN 1.004 nan 8.310 nan 0.000 0.465 22 D N 0.845 121.336 120.400 0.151 0.000 2.499 22 D HA 0.392 5.032 4.640 0.000 0.000 0.225 22 D C 0.288 176.648 176.300 0.100 0.000 1.124 22 D CA -0.157 53.919 54.000 0.126 0.000 0.938 22 D CB -0.374 40.507 40.800 0.135 0.000 1.014 22 D HN 0.642 nan 8.370 nan 0.000 0.517 23 R N 2.191 122.738 120.500 0.077 0.000 3.656 23 R HA -0.172 4.168 4.340 0.000 0.000 0.297 23 R C 0.883 177.215 176.300 0.053 0.000 1.166 23 R CA 0.587 56.718 56.100 0.052 0.000 0.799 23 R CB -1.823 28.510 30.300 0.055 0.000 1.285 23 R HN 0.708 nan 8.270 nan 0.000 0.477 24 G N -1.045 107.796 108.800 0.069 0.000 2.131 24 G HA2 -0.275 3.685 3.960 0.000 0.000 0.223 24 G HA3 -0.275 3.685 3.960 0.000 0.000 0.223 24 G C -0.073 174.889 174.900 0.104 0.000 0.990 24 G CA 0.369 45.518 45.100 0.082 0.000 0.671 24 G HN 0.566 nan 8.290 nan 0.000 0.521 25 T N -0.493 114.137 114.554 0.127 0.000 3.041 25 T HA 0.700 5.050 4.350 0.000 0.000 0.321 25 T C -0.457 174.351 174.700 0.180 0.000 1.184 25 T CA 0.138 62.291 62.100 0.089 0.000 1.050 25 T CB 1.216 70.106 68.868 0.037 0.000 1.159 25 T HN 1.369 nan 8.240 nan 0.000 0.469 26 F N 2.895 122.933 119.950 0.147 0.000 2.835 26 F HA 0.965 5.492 4.527 0.000 0.000 0.373 26 F C -1.185 174.714 175.800 0.166 0.000 1.209 26 F CA -1.284 56.790 58.000 0.123 0.000 1.082 26 F CB 0.732 39.781 39.000 0.082 0.000 1.472 26 F HN 0.470 nan 8.300 nan 0.000 0.519 27 V N 0.235 120.464 119.914 0.525 0.000 2.932 27 V HA 0.786 4.905 4.120 0.000 0.000 0.307 27 V C -1.427 174.868 176.094 0.335 0.000 1.147 27 V CA -0.611 61.896 62.300 0.345 0.000 0.951 27 V CB 1.792 33.738 31.823 0.204 0.000 1.031 27 V HN 1.334 nan 8.190 nan 0.000 0.426 28 A N 4.105 127.099 122.820 0.290 0.000 2.540 28 A HA 0.608 4.928 4.320 0.000 0.000 0.340 28 A C -0.529 177.090 177.584 0.058 0.000 1.424 28 A CA -0.268 51.834 52.037 0.108 0.000 0.940 28 A CB -0.334 18.777 19.000 0.186 0.000 1.149 28 A HN 1.140 nan 8.150 nan 0.000 0.505 29 H N 2.348 121.308 119.070 -0.183 0.000 2.582 29 H HA 0.462 5.018 4.556 0.000 0.000 0.345 29 H C -0.365 174.916 175.328 -0.079 0.000 1.104 29 H CA 0.318 56.284 56.048 -0.136 0.000 1.390 29 H CB 0.520 30.173 29.762 -0.182 0.000 1.461 29 H HN 0.605 nan 8.280 nan 0.000 0.551 30 N N 3.902 122.225 118.700 -0.629 0.000 2.310 30 N HA 0.219 4.959 4.740 0.000 0.000 0.292 30 N C -1.090 174.056 175.510 -0.606 0.000 1.049 30 N CA -0.724 52.068 53.050 -0.432 0.000 0.849 30 N CB 2.151 40.399 38.487 -0.399 0.000 1.532 30 N HN 0.531 nan 8.380 nan 0.000 0.479 31 R N 1.675 121.991 120.500 -0.308 0.000 2.215 31 R HA 0.403 4.743 4.340 0.000 0.000 0.336 31 R C -0.403 175.630 176.300 -0.446 0.000 0.996 31 R CA -0.551 55.369 56.100 -0.300 0.000 0.847 31 R CB 1.010 31.305 30.300 -0.009 0.000 1.127 31 R HN 0.410 nan 8.270 nan 0.000 0.465 32 V N 0.429 119.883 119.914 -0.765 0.000 2.914 32 V HA 0.623 4.743 4.120 0.000 0.000 0.314 32 V C -0.456 175.081 176.094 -0.927 0.000 1.084 32 V CA -1.205 60.616 62.300 -0.797 0.000 0.963 32 V CB 2.287 33.620 31.823 -0.815 0.000 1.025 32 V HN 0.704 nan 8.190 nan 0.000 0.432 33 R N 1.930 122.015 120.500 -0.691 0.000 2.320 33 R HA 0.507 4.847 4.340 0.000 0.000 0.319 33 R C -0.747 175.417 176.300 -0.227 0.000 0.969 33 R CA -0.213 55.583 56.100 -0.507 0.000 0.857 33 R CB 1.334 31.276 30.300 -0.596 0.000 1.160 33 R HN 0.958 nan 8.270 nan 0.000 0.491 34 T N 3.537 118.032 114.554 -0.099 0.000 2.817 34 T HA 0.189 4.539 4.350 0.000 0.000 0.293 34 T C -0.441 174.176 174.700 -0.138 0.000 0.964 34 T CA -0.238 61.800 62.100 -0.103 0.000 1.085 34 T CB 0.936 69.767 68.868 -0.062 0.000 0.921 34 T HN 0.454 nan 8.240 nan 0.000 0.502 35 D N 1.542 121.788 120.400 -0.258 0.000 2.217 35 D HA 0.389 5.029 4.640 0.000 0.000 0.248 35 D C -0.777 175.285 176.300 -0.398 0.000 1.008 35 D CA -0.316 53.604 54.000 -0.133 0.000 0.914 35 D CB 1.502 42.281 40.800 -0.035 0.000 1.182 35 D HN 0.389 nan 8.370 nan 0.000 0.451 36 F N 1.035 121.077 119.950 0.154 0.000 2.691 36 F HA 0.206 4.733 4.527 0.000 0.000 0.371 36 F C 0.588 176.592 175.800 0.340 0.000 1.159 36 F CA -0.857 57.273 58.000 0.218 0.000 1.174 36 F CB 1.120 40.273 39.000 0.254 0.000 1.419 36 F HN -0.111 nan 8.300 nan 0.000 0.514 37 K N 4.842 125.432 120.400 0.316 0.000 2.285 37 K HA 0.581 4.901 4.320 0.000 0.000 0.286 37 K C -1.255 175.547 176.600 0.336 0.000 1.072 37 K CA -0.200 56.235 56.287 0.247 0.000 0.913 37 K CB 0.577 33.147 32.500 0.116 0.000 1.067 37 K HN 0.536 nan 8.250 nan 0.000 0.479 38 F N 1.036 121.053 119.950 0.111 0.000 2.690 38 F HA 0.266 4.793 4.527 0.000 0.000 0.311 38 F C -0.879 174.967 175.800 0.076 0.000 1.111 38 F CA -1.160 56.863 58.000 0.037 0.000 1.003 38 F CB 1.081 40.055 39.000 -0.044 0.000 1.283 38 F HN 0.586 nan 8.300 nan 0.000 0.442 39 D N 1.949 122.388 120.400 0.064 0.000 3.068 39 D HA -0.276 4.364 4.640 0.000 0.000 0.218 39 D C 0.355 176.632 176.300 -0.038 0.000 1.145 39 D CA 1.720 55.719 54.000 -0.001 0.000 0.896 39 D CB -1.226 39.536 40.800 -0.063 0.000 1.105 39 D HN 1.036 nan 8.370 nan 0.000 0.423 40 N N -1.320 117.369 118.700 -0.020 0.000 2.782 40 N HA -0.225 4.515 4.740 0.000 0.000 0.251 40 N C -0.901 174.581 175.510 -0.047 0.000 1.101 40 N CA 1.337 54.376 53.050 -0.017 0.000 0.764 40 N CB -0.505 37.978 38.487 -0.008 0.000 1.122 40 N HN 0.496 nan 8.380 nan 0.000 0.561 41 L N -0.850 120.322 121.223 -0.084 0.000 2.371 41 L HA 0.754 5.094 4.340 0.000 0.000 0.262 41 L C -0.422 176.420 176.870 -0.047 0.000 1.006 41 L CA -1.137 53.637 54.840 -0.109 0.000 0.818 41 L CB 2.061 44.036 42.059 -0.140 0.000 1.354 41 L HN -0.145 nan 8.230 nan 0.000 0.415 42 V N 2.186 122.062 119.914 -0.064 0.000 2.349 42 V HA 0.510 4.630 4.120 0.000 0.000 0.284 42 V C -0.913 175.224 176.094 0.072 0.000 1.014 42 V CA -0.179 62.172 62.300 0.084 0.000 0.826 42 V CB 0.953 32.805 31.823 0.048 0.000 1.009 42 V HN 0.440 nan 8.190 nan 0.000 0.431 43 F N 5.609 125.621 119.950 0.104 0.000 2.378 43 F HA 0.690 5.217 4.527 -0.000 0.000 0.325 43 F C 0.629 176.616 175.800 0.310 0.000 1.097 43 F CA -0.335 57.762 58.000 0.162 0.000 1.079 43 F CB 1.515 40.618 39.000 0.173 0.000 1.240 43 F HN 0.792 nan 8.300 nan 0.000 0.519 44 N N -0.202 118.749 118.700 0.419 0.000 3.308 44 N HA 0.616 5.356 4.740 0.000 0.000 0.276 44 N C -1.754 173.917 175.510 0.269 0.000 1.533 44 N CA -1.283 52.003 53.050 0.394 0.000 0.878 44 N CB 2.094 40.700 38.487 0.199 0.000 1.566 44 N HN 0.643 nan 8.380 nan 0.000 0.546 45 R N 0.061 120.690 120.500 0.214 0.000 2.634 45 R HA 0.537 4.877 4.340 0.000 0.000 0.263 45 R C -2.007 174.334 176.300 0.068 0.000 1.060 45 R CA -0.765 55.420 56.100 0.143 0.000 0.898 45 R CB 1.663 32.040 30.300 0.127 0.000 1.253 45 R HN 0.626 nan 8.270 nan 0.000 0.461 46 V N 0.962 120.880 119.914 0.006 0.000 2.715 46 V HA 0.857 4.977 4.120 0.000 0.000 0.310 46 V C -1.095 174.983 176.094 -0.027 0.000 1.054 46 V CA -0.487 61.694 62.300 -0.198 0.000 0.928 46 V CB 1.198 32.875 31.823 -0.243 0.000 1.007 46 V HN 0.896 nan 8.190 nan 0.000 0.437 47 Y N 1.001 121.153 120.300 -0.246 0.000 2.914 47 Y HA 0.914 5.464 4.550 0.000 0.000 0.327 47 Y C -0.033 175.781 175.900 -0.143 0.000 1.440 47 Y CA -0.893 57.087 58.100 -0.200 0.000 1.086 47 Y CB 1.028 39.301 38.460 -0.313 0.000 1.544 47 Y HN 0.941 nan 8.280 nan 0.000 0.442 48 G N 0.515 109.407 108.800 0.153 0.000 2.605 48 G HA2 0.500 4.460 3.960 0.000 0.000 0.304 48 G HA3 0.500 4.460 3.960 0.000 0.000 0.304 48 G C -2.043 172.881 174.900 0.039 0.000 1.333 48 G CA -0.734 44.436 45.100 0.117 0.000 0.973 48 G HN 0.945 nan 8.290 nan 0.000 0.507 49 V N 2.790 122.539 119.914 -0.276 0.000 2.334 49 V HA 0.740 4.860 4.120 0.000 0.000 0.281 49 V C -0.208 175.817 176.094 -0.114 0.000 1.016 49 V CA -0.324 61.923 62.300 -0.089 0.000 0.832 49 V CB 1.174 32.951 31.823 -0.076 0.000 0.999 49 V HN 0.585 nan 8.190 nan 0.000 0.439 50 S N 4.669 120.425 115.700 0.094 0.000 2.593 50 S HA 0.732 5.202 4.470 0.000 0.000 0.297 50 S C -0.872 173.819 174.600 0.151 0.000 1.112 50 S CA -0.471 57.822 58.200 0.155 0.000 1.043 50 S CB 1.678 65.028 63.200 0.249 0.000 1.054 50 S HN 0.891 nan 8.310 nan 0.000 0.516 51 Q N 2.317 122.211 119.800 0.158 0.000 2.350 51 Q HA 0.330 4.670 4.340 0.000 0.000 0.255 51 Q C -1.386 174.653 176.000 0.064 0.000 0.951 51 Q CA -0.323 55.537 55.803 0.094 0.000 0.751 51 Q CB 0.707 29.515 28.738 0.117 0.000 1.296 51 Q HN 0.499 nan 8.270 nan 0.000 0.453 52 K N 2.239 122.606 120.400 -0.054 0.000 2.219 52 K HA 0.412 4.732 4.320 0.000 0.000 0.258 52 K C -0.678 175.665 176.600 -0.430 0.000 1.008 52 K CA 0.157 56.379 56.287 -0.110 0.000 0.928 52 K CB 0.632 33.097 32.500 -0.058 0.000 0.983 52 K HN 0.425 nan 8.250 nan 0.000 0.484 53 F N -0.170 119.433 119.950 -0.578 0.000 2.573 53 F HA 0.149 4.676 4.527 0.000 0.000 0.316 53 F C 0.138 175.606 175.800 -0.554 0.000 1.148 53 F CA -0.711 56.867 58.000 -0.704 0.000 0.940 53 F CB 2.327 40.522 39.000 -1.340 0.000 1.214 53 F HN 0.294 nan 8.300 nan 0.000 0.448 54 T N 4.598 119.082 114.554 -0.117 0.000 2.772 54 T HA 0.406 4.756 4.350 0.000 0.000 0.288 54 T C 0.547 175.278 174.700 0.051 0.000 0.994 54 T CA -0.442 61.638 62.100 -0.034 0.000 0.951 54 T CB 0.425 69.263 68.868 -0.049 0.000 0.933 54 T HN 0.479 nan 8.240 nan 0.000 0.447 55 L N 5.697 126.991 121.223 0.119 0.000 2.622 55 L HA 0.194 4.534 4.340 0.000 0.000 0.233 55 L C 0.808 177.733 176.870 0.091 0.000 1.156 55 L CA 0.445 55.378 54.840 0.155 0.000 0.866 55 L CB -0.574 41.612 42.059 0.212 0.000 0.980 55 L HN 0.465 nan 8.230 nan 0.000 0.448 56 V N 0.191 120.137 119.914 0.055 0.000 2.555 56 V HA 0.688 4.808 4.120 0.000 0.000 0.286 56 V C 0.735 176.833 176.094 0.008 0.000 1.044 56 V CA -0.095 62.225 62.300 0.032 0.000 1.026 56 V CB 0.595 32.430 31.823 0.020 0.000 0.981 56 V HN 0.314 nan 8.190 nan 0.000 0.480 57 G N 3.166 111.973 108.800 0.012 0.000 2.476 57 G HA2 0.184 4.144 3.960 0.000 0.000 0.309 57 G HA3 0.184 4.144 3.960 0.000 0.000 0.309 57 G C -1.131 173.770 174.900 0.003 0.000 1.575 57 G CA -0.807 44.286 45.100 -0.012 0.000 0.913 57 G HN 0.640 nan 8.290 nan 0.000 0.623 58 N N 3.138 121.832 118.700 -0.010 0.000 2.767 58 N HA 0.346 5.086 4.740 0.000 0.000 0.238 58 N C -2.354 173.140 175.510 -0.027 0.000 1.083 58 N CA -1.565 51.486 53.050 0.003 0.000 0.964 58 N CB 1.409 39.900 38.487 0.006 0.000 1.252 58 N HN 0.218 nan 8.380 nan 0.000 0.512 59 P HA 0.098 nan 4.420 nan 0.000 0.282 59 P C -0.514 176.728 177.300 -0.096 0.000 1.262 59 P CA -0.195 62.843 63.100 -0.103 0.000 0.773 59 P CB 0.854 32.463 31.700 -0.152 0.000 0.879 60 T N 0.512 114.994 114.554 -0.121 0.000 3.185 60 T HA 0.225 4.575 4.350 0.000 0.000 0.287 60 T C 0.331 174.926 174.700 -0.175 0.000 1.051 60 T CA -0.608 61.429 62.100 -0.106 0.000 1.051 60 T CB -0.457 68.358 68.868 -0.088 0.000 1.034 60 T HN 0.258 nan 8.240 nan 0.000 0.685 61 V N 2.532 122.322 119.914 -0.207 0.000 2.439 61 V HA 0.692 4.812 4.120 0.000 0.000 0.282 61 V C 0.279 176.079 176.094 -0.490 0.000 1.039 61 V CA -0.790 61.268 62.300 -0.403 0.000 0.913 61 V CB -0.439 31.082 31.823 -0.504 0.000 0.983 61 V HN 1.199 nan 8.190 nan 0.000 0.460 62 C N 6.025 124.959 119.300 -0.609 0.000 2.595 62 C HA 0.949 5.409 4.460 0.000 0.000 0.338 62 C C -0.729 173.802 174.990 -0.764 0.000 1.219 62 C CA -0.808 57.919 59.018 -0.485 0.000 1.811 62 C CB 1.467 29.078 27.740 -0.215 0.000 2.313 62 C HN 0.777 nan 8.230 nan 0.000 0.499 63 F N 3.046 122.967 119.950 -0.048 0.000 2.547 63 F HA 0.669 5.196 4.527 -0.000 0.000 0.316 63 F C 0.071 175.849 175.800 -0.036 0.000 1.121 63 F CA -0.577 57.398 58.000 -0.041 0.000 0.911 63 F CB 1.614 40.612 39.000 -0.003 0.000 1.179 63 F HN 0.819 nan 8.300 nan 0.000 0.443 64 N N 0.843 119.613 118.700 0.116 0.000 2.504 64 N HA 0.167 4.907 4.740 0.000 0.000 0.268 64 N C -1.453 174.077 175.510 0.033 0.000 1.184 64 N CA -1.008 52.070 53.050 0.047 0.000 0.875 64 N CB 2.156 40.644 38.487 0.001 0.000 1.630 64 N HN 0.699 nan 8.380 nan 0.000 0.486 65 E N 0.347 120.531 120.200 -0.027 0.000 2.708 65 E HA 0.069 4.419 4.350 0.000 0.000 0.260 65 E C -0.229 176.405 176.600 0.057 0.000 0.937 65 E CA 0.417 56.782 56.400 -0.058 0.000 0.953 65 E CB 0.270 29.793 29.700 -0.295 0.000 0.915 65 E HN 0.599 nan 8.360 nan 0.000 0.487 66 G N 2.817 111.747 108.800 0.217 0.000 2.448 66 G HA2 0.262 4.222 3.960 0.000 0.000 0.324 66 G HA3 0.262 4.222 3.960 0.000 0.000 0.324 66 G C -0.718 174.303 174.900 0.203 0.000 1.203 66 G CA -0.650 44.551 45.100 0.169 0.000 0.954 66 G HN 0.500 nan 8.290 nan 0.000 0.480 67 S N 0.147 115.877 115.700 0.050 0.000 2.642 67 S HA 0.141 4.611 4.470 0.000 0.000 0.308 67 S C 1.266 175.654 174.600 -0.354 0.000 1.255 67 S CA 0.295 58.432 58.200 -0.106 0.000 1.057 67 S CB 0.284 63.371 63.200 -0.188 0.000 0.785 67 S HN 1.110 nan 8.310 nan 0.000 0.500 68 S N 3.926 119.488 115.700 -0.230 0.000 2.560 68 S HA 0.201 4.671 4.470 0.000 0.000 0.284 68 S C -0.963 173.318 174.600 -0.531 0.000 1.327 68 S CA -0.135 57.869 58.200 -0.326 0.000 1.055 68 S CB 0.030 63.143 63.200 -0.145 0.000 0.868 68 S HN 0.537 nan 8.310 nan 0.000 0.506 69 Y N 3.209 123.496 120.300 -0.022 0.000 2.328 69 Y HA 0.428 4.978 4.550 -0.000 0.000 0.333 69 Y C 0.221 176.133 175.900 0.020 0.000 0.958 69 Y CA -0.771 57.352 58.100 0.038 0.000 1.167 69 Y CB 1.453 39.965 38.460 0.086 0.000 1.151 69 Y HN 0.570 nan 8.280 nan 0.000 0.470 70 L N 3.210 124.495 121.223 0.103 0.000 2.984 70 L HA 0.296 4.636 4.340 0.000 0.000 0.246 70 L C 0.769 177.664 176.870 0.042 0.000 1.268 70 L CA 0.053 54.916 54.840 0.038 0.000 1.054 70 L CB 0.168 42.199 42.059 -0.047 0.000 1.393 70 L HN 0.611 nan 8.230 nan 0.000 0.532 71 E N 1.257 121.515 120.200 0.096 0.000 2.150 71 E HA -0.085 4.265 4.350 0.000 0.000 0.193 71 E C 1.995 178.610 176.600 0.026 0.000 0.985 71 E CA 1.000 57.438 56.400 0.063 0.000 0.814 71 E CB -0.024 29.733 29.700 0.095 0.000 0.752 71 E HN 0.441 nan 8.360 nan 0.000 0.466 72 G N 1.228 110.034 108.800 0.009 0.000 3.375 72 G HA2 0.215 4.175 3.960 0.000 0.000 0.247 72 G HA3 0.215 4.175 3.960 0.000 0.000 0.247 72 G C 0.289 175.151 174.900 -0.063 0.000 1.343 72 G CA -0.072 45.001 45.100 -0.046 0.000 1.368 72 G HN 0.260 nan 8.290 nan 0.000 0.549 73 I N -2.692 117.856 120.570 -0.037 0.000 3.170 73 I HA 0.870 5.040 4.170 0.000 0.000 0.312 73 I C 0.186 176.302 176.117 -0.001 0.000 1.085 73 I CA -1.603 59.674 61.300 -0.039 0.000 0.999 73 I CB 1.893 39.859 38.000 -0.057 0.000 1.233 73 I HN 0.008 nan 8.210 nan 0.000 0.467 74 A N 2.656 125.510 122.820 0.057 0.000 2.498 74 A HA 0.141 4.461 4.320 0.000 0.000 0.239 74 A C 1.013 178.593 177.584 -0.007 0.000 1.068 74 A CA -0.133 51.937 52.037 0.055 0.000 0.766 74 A CB 0.262 19.349 19.000 0.145 0.000 1.003 74 A HN 0.908 nan 8.150 nan 0.000 0.497 75 K N 0.905 121.263 120.400 -0.069 0.000 2.442 75 K HA -0.095 4.225 4.320 0.000 0.000 0.198 75 K C 1.616 178.113 176.600 -0.172 0.000 1.042 75 K CA 1.195 57.426 56.287 -0.094 0.000 0.958 75 K CB 0.038 32.487 32.500 -0.085 0.000 0.766 75 K HN 0.643 nan 8.250 nan 0.000 0.474 76 K N 0.118 120.328 120.400 -0.316 0.000 2.283 76 K HA -0.131 4.189 4.320 0.000 0.000 0.202 76 K C 0.415 176.584 176.600 -0.717 0.000 1.048 76 K CA 1.266 57.198 56.287 -0.592 0.000 0.948 76 K CB 0.194 32.156 32.500 -0.896 0.000 0.742 76 K HN 0.305 nan 8.250 nan 0.000 0.458 77 Y N -0.990 119.263 120.300 -0.078 0.000 2.527 77 Y HA 0.283 4.833 4.550 0.000 0.000 0.247 77 Y C 0.171 175.998 175.900 -0.121 0.000 1.138 77 Y CA -0.627 57.410 58.100 -0.104 0.000 1.228 77 Y CB 1.017 39.384 38.460 -0.155 0.000 1.252 77 Y HN -0.218 nan 8.280 nan 0.000 0.531 78 L N 1.842 123.062 121.223 -0.005 0.000 2.446 78 L HA 0.494 4.834 4.340 0.000 0.000 0.268 78 L C -0.786 176.059 176.870 -0.041 0.000 0.975 78 L CA 0.093 54.916 54.840 -0.028 0.000 0.848 78 L CB 1.468 43.511 42.059 -0.027 0.000 1.225 78 L HN 0.049 nan 8.230 nan 0.000 0.410 79 T N 3.704 118.236 114.554 -0.037 0.000 2.952 79 T HA 0.297 4.647 4.350 0.000 0.000 0.286 79 T C 0.925 175.609 174.700 -0.027 0.000 1.024 79 T CA -0.503 61.575 62.100 -0.036 0.000 1.029 79 T CB 2.423 71.272 68.868 -0.032 0.000 1.094 79 T HN 0.496 nan 8.240 nan 0.000 0.515 80 L N 1.421 122.627 121.223 -0.028 0.000 2.044 80 L HA 0.030 4.370 4.340 0.000 0.000 0.205 80 L C 1.947 178.810 176.870 -0.011 0.000 1.075 80 L CA 1.899 56.727 54.840 -0.021 0.000 0.747 80 L CB -0.497 41.544 42.059 -0.029 0.000 0.903 80 L HN 0.824 nan 8.230 nan 0.000 0.435 81 D N -2.311 118.082 120.400 -0.012 0.000 2.338 81 D HA 0.020 4.660 4.640 0.000 0.000 0.208 81 D C 1.836 178.133 176.300 -0.004 0.000 0.997 81 D CA 0.875 54.872 54.000 -0.005 0.000 0.880 81 D CB -0.419 40.377 40.800 -0.006 0.000 0.980 81 D HN 0.386 nan 8.370 nan 0.000 0.509 82 G N 0.328 109.122 108.800 -0.010 0.000 2.920 82 G HA2 0.310 4.270 3.960 0.000 0.000 0.208 82 G HA3 0.310 4.270 3.960 0.000 0.000 0.208 82 G C 1.164 176.057 174.900 -0.011 0.000 1.159 82 G CA 0.367 45.462 45.100 -0.010 0.000 0.784 82 G HN 0.583 nan 8.290 nan 0.000 0.535 83 G N 0.267 109.060 108.800 -0.011 0.000 2.652 83 G HA2 -0.338 3.622 3.960 0.000 0.000 0.318 83 G HA3 -0.338 3.622 3.960 0.000 0.000 0.318 83 G C 0.232 175.112 174.900 -0.034 0.000 1.295 83 G CA 0.341 45.431 45.100 -0.017 0.000 0.999 83 G HN 0.754 nan 8.290 nan 0.000 0.548 84 L N 1.464 122.656 121.223 -0.051 0.000 2.265 84 L HA 0.597 4.937 4.340 0.000 0.000 0.288 84 L C 1.011 177.845 176.870 -0.060 0.000 1.058 84 L CA -0.145 54.638 54.840 -0.095 0.000 0.809 84 L CB 1.124 43.076 42.059 -0.180 0.000 1.179 84 L HN 0.923 nan 8.230 nan 0.000 0.429 85 A N 5.270 128.069 122.820 -0.035 0.000 3.126 85 A HA 0.119 4.439 4.320 0.000 0.000 0.268 85 A C 0.912 178.510 177.584 0.022 0.000 1.605 85 A CA -0.354 51.690 52.037 0.012 0.000 1.305 85 A CB -0.286 18.737 19.000 0.038 0.000 1.160 85 A HN 0.868 nan 8.150 nan 0.000 0.609 86 I N 1.360 121.926 120.570 -0.007 0.000 2.194 86 I HA -0.274 3.896 4.170 0.000 0.000 0.246 86 I C 2.047 178.229 176.117 0.107 0.000 1.093 86 I CA 2.557 63.875 61.300 0.030 0.000 1.355 86 I CB -0.098 37.974 38.000 0.119 0.000 1.046 86 I HN 0.704 nan 8.210 nan 0.000 0.413 87 D N -0.493 119.967 120.400 0.100 0.000 2.178 87 D HA -0.230 4.410 4.640 0.000 0.000 0.201 87 D C 1.559 177.918 176.300 0.099 0.000 0.980 87 D CA 1.255 55.313 54.000 0.097 0.000 0.842 87 D CB -0.806 40.036 40.800 0.071 0.000 0.948 87 D HN 0.388 nan 8.370 nan 0.000 0.472 88 N N 0.203 118.976 118.700 0.120 0.000 2.270 88 N HA -0.058 4.682 4.740 0.000 0.000 0.181 88 N C 1.967 177.630 175.510 0.255 0.000 1.016 88 N CA 0.422 53.576 53.050 0.174 0.000 0.870 88 N CB -0.017 38.586 38.487 0.195 0.000 0.979 88 N HN 0.090 nan 8.380 nan 0.000 0.431 89 V N 0.414 120.447 119.914 0.199 0.000 2.453 89 V HA -0.071 4.049 4.120 0.000 0.000 0.247 89 V C 1.875 178.028 176.094 0.098 0.000 1.048 89 V CA 0.961 63.338 62.300 0.128 0.000 1.049 89 V CB -0.292 31.495 31.823 -0.060 0.000 0.672 89 V HN 0.268 nan 8.190 nan 0.000 0.457 90 L N 0.245 121.521 121.223 0.087 0.000 2.395 90 L HA 0.020 4.360 4.340 0.000 0.000 0.218 90 L C 2.000 178.865 176.870 -0.008 0.000 1.130 90 L CA 1.389 56.251 54.840 0.036 0.000 0.826 90 L CB -1.726 40.390 42.059 0.095 0.000 0.941 90 L HN 0.470 nan 8.230 nan 0.000 0.451 91 N N -0.252 118.464 118.700 0.027 0.000 2.521 91 N HA -0.145 4.595 4.740 0.000 0.000 0.188 91 N C 1.409 176.903 175.510 -0.027 0.000 1.146 91 N CA 0.160 53.217 53.050 0.010 0.000 0.893 91 N CB 0.616 39.129 38.487 0.043 0.000 0.975 91 N HN 0.307 nan 8.380 nan 0.000 0.451 92 E N -0.018 120.132 120.200 -0.083 0.000 2.152 92 E HA 0.025 4.375 4.350 0.000 0.000 0.195 92 E C 1.612 178.015 176.600 -0.329 0.000 0.934 92 E CA 0.363 56.632 56.400 -0.219 0.000 0.869 92 E CB 0.063 29.534 29.700 -0.382 0.000 0.842 92 E HN 0.270 nan 8.360 nan 0.000 0.472 93 L N 0.423 121.419 121.223 -0.380 0.000 2.549 93 L HA 0.032 4.372 4.340 0.000 0.000 0.230 93 L C 1.741 178.487 176.870 -0.208 0.000 1.162 93 L CA 1.016 55.661 54.840 -0.325 0.000 0.834 93 L CB -0.652 41.216 42.059 -0.319 0.000 0.947 93 L HN -0.047 nan 8.230 nan 0.000 0.452 94 R N 0.201 120.605 120.500 -0.160 0.000 2.115 94 R HA 0.035 4.375 4.340 0.000 0.000 0.230 94 R C 1.269 177.517 176.300 -0.088 0.000 1.111 94 R CA 1.264 57.300 56.100 -0.105 0.000 0.976 94 R CB -0.501 29.756 30.300 -0.071 0.000 0.870 94 R HN 0.422 nan 8.270 nan 0.000 0.445 95 S N -0.080 115.560 115.700 -0.100 0.000 2.575 95 S HA 0.046 4.516 4.470 0.000 0.000 0.237 95 S C 0.933 175.481 174.600 -0.086 0.000 0.975 95 S CA 0.234 58.387 58.200 -0.077 0.000 0.960 95 S CB 0.954 64.115 63.200 -0.065 0.000 0.822 95 S HN 0.486 nan 8.310 nan 0.000 0.472 96 T N -2.057 112.432 114.554 -0.108 0.000 3.016 96 T HA 0.304 4.654 4.350 0.000 0.000 0.271 96 T C 0.478 175.145 174.700 -0.056 0.000 0.968 96 T CA 0.038 62.080 62.100 -0.096 0.000 0.891 96 T CB -0.302 68.471 68.868 -0.159 0.000 1.149 96 T HN 0.516 nan 8.240 nan 0.000 0.524 97 C N -0.459 118.809 119.300 -0.053 0.000 3.239 97 C HA 0.887 5.347 4.460 0.000 0.000 0.317 97 C C 1.498 176.481 174.990 -0.012 0.000 1.310 97 C CA -0.606 58.404 59.018 -0.013 0.000 1.371 97 C CB 0.833 28.590 27.740 0.028 0.000 1.714 97 C HN 0.348 nan 8.230 nan 0.000 0.473 98 G N 1.165 109.973 108.800 0.013 0.000 3.250 98 G HA2 0.183 4.143 3.960 0.000 0.000 0.216 98 G HA3 0.183 4.143 3.960 0.000 0.000 0.216 98 G C 0.168 175.071 174.900 0.006 0.000 1.091 98 G CA 0.384 45.490 45.100 0.011 0.000 1.654 98 G HN 0.664 nan 8.290 nan 0.000 0.551 99 I N 1.299 121.860 120.570 -0.016 0.000 2.362 99 I HA 0.245 4.415 4.170 0.000 0.000 0.289 99 I C -2.196 173.916 176.117 -0.007 0.000 0.994 99 I CA -2.461 58.829 61.300 -0.017 0.000 1.158 99 I CB 1.811 39.776 38.000 -0.057 0.000 1.315 99 I HN -0.059 nan 8.210 nan 0.000 0.451 100 P HA 0.260 nan 4.420 nan 0.000 0.282 100 P C 0.714 178.027 177.300 0.021 0.000 1.274 100 P CA 0.461 63.570 63.100 0.016 0.000 0.770 100 P CB 1.025 32.739 31.700 0.023 0.000 0.867 101 G N 4.889 113.694 108.800 0.008 0.000 2.629 101 G HA2 -0.357 3.603 3.960 0.000 0.000 0.313 101 G HA3 -0.357 3.603 3.960 0.000 0.000 0.313 101 G C 0.744 175.648 174.900 0.007 0.000 1.217 101 G CA 0.333 45.437 45.100 0.007 0.000 0.994 101 G HN 0.613 nan 8.290 nan 0.000 0.549 102 N N 1.890 120.598 118.700 0.012 0.000 2.230 102 N HA 0.319 5.059 4.740 0.000 0.000 0.202 102 N C 2.027 177.550 175.510 0.022 0.000 1.119 102 N CA 0.794 53.850 53.050 0.009 0.000 0.851 102 N CB 0.544 39.031 38.487 0.001 0.000 0.990 102 N HN 0.680 nan 8.380 nan 0.000 0.497 103 A N 1.115 123.969 122.820 0.057 0.000 1.968 103 A HA -0.061 4.259 4.320 0.000 0.000 0.217 103 A C 2.338 180.044 177.584 0.203 0.000 1.169 103 A CA 0.736 52.848 52.037 0.125 0.000 0.638 103 A CB -0.663 18.471 19.000 0.222 0.000 0.812 103 A HN 0.145 nan 8.150 nan 0.000 0.446 104 V N 0.332 120.316 119.914 0.116 0.000 2.215 104 V HA -0.328 3.792 4.120 0.000 0.000 0.249 104 V C 2.634 178.735 176.094 0.010 0.000 1.054 104 V CA 3.073 65.387 62.300 0.023 0.000 1.012 104 V CB -1.263 30.514 31.823 -0.078 0.000 0.639 104 V HN 0.649 nan 8.190 nan 0.000 0.448 105 A N -0.377 122.449 122.820 0.010 0.000 1.873 105 A HA -0.282 4.038 4.320 0.000 0.000 0.218 105 A C 2.679 180.337 177.584 0.124 0.000 1.193 105 A CA 3.365 55.436 52.037 0.057 0.000 0.629 105 A CB -1.497 17.535 19.000 0.053 0.000 0.826 105 A HN 1.020 nan 8.150 nan 0.000 0.447 106 S N -1.504 114.230 115.700 0.057 0.000 2.400 106 S HA -0.246 4.224 4.470 0.000 0.000 0.232 106 S C 1.987 176.641 174.600 0.090 0.000 1.025 106 S CA 1.614 59.825 58.200 0.019 0.000 0.993 106 S CB -0.657 62.481 63.200 -0.104 0.000 0.808 106 S HN 0.686 nan 8.310 nan 0.000 0.478 107 H N 0.749 119.910 119.070 0.152 0.000 2.372 107 H HA 0.225 4.781 4.556 0.000 0.000 0.301 107 H C 2.585 178.151 175.328 0.397 0.000 1.065 107 H CA 1.352 57.546 56.048 0.243 0.000 1.364 107 H CB -0.775 29.120 29.762 0.222 0.000 1.406 107 H HN 0.569 nan 8.280 nan 0.000 0.521 108 A N 0.411 123.466 122.820 0.392 0.000 1.930 108 A HA -0.202 4.118 4.320 0.000 0.000 0.217 108 A C 2.305 180.162 177.584 0.456 0.000 1.175 108 A CA 1.338 53.639 52.037 0.441 0.000 0.627 108 A CB -0.981 18.076 19.000 0.096 0.000 0.815 108 A HN 0.506 nan 8.150 nan 0.000 0.443 109 Y N 1.133 121.601 120.300 0.279 0.000 2.089 109 Y HA -0.269 4.281 4.550 -0.000 0.000 0.282 109 Y C 2.344 178.463 175.900 0.365 0.000 1.139 109 Y CA 2.082 60.365 58.100 0.305 0.000 1.123 109 Y CB -0.303 38.289 38.460 0.220 0.000 0.980 109 Y HN 0.308 nan 8.280 nan 0.000 0.493 110 N N 0.790 119.833 118.700 0.572 0.000 2.111 110 N HA -0.277 4.463 4.740 0.000 0.000 0.197 110 N C 1.747 177.429 175.510 0.286 0.000 1.011 110 N CA 2.430 55.686 53.050 0.343 0.000 0.880 110 N CB -0.470 38.166 38.487 0.248 0.000 1.031 110 N HN 0.538 nan 8.380 nan 0.000 0.444 111 I N -0.771 120.020 120.570 0.368 0.000 2.270 111 I HA -0.111 4.059 4.170 0.000 0.000 0.239 111 I C 1.804 178.155 176.117 0.390 0.000 1.080 111 I CA 1.521 63.032 61.300 0.351 0.000 1.383 111 I CB -0.276 37.863 38.000 0.233 0.000 1.097 111 I HN 0.210 nan 8.210 nan 0.000 0.420 112 T N -3.948 110.707 114.554 0.168 0.000 3.115 112 T HA 0.109 4.459 4.350 0.000 0.000 0.256 112 T C 1.629 175.890 174.700 -0.732 0.000 0.970 112 T CA 0.080 62.003 62.100 -0.295 0.000 1.010 112 T CB -0.067 68.680 68.868 -0.202 0.000 1.151 112 T HN -0.057 nan 8.240 nan 0.000 0.479 113 S N 1.452 116.933 115.700 -0.365 0.000 2.547 113 S HA -0.079 4.391 4.470 0.000 0.000 0.255 113 S C 1.393 175.754 174.600 -0.398 0.000 0.977 113 S CA 1.403 59.378 58.200 -0.375 0.000 0.960 113 S CB -0.630 62.705 63.200 0.225 0.000 0.746 113 S HN 0.792 nan 8.310 nan 0.000 0.532 114 W N 0.137 121.016 121.300 -0.701 0.000 2.735 114 W HA 0.390 5.050 4.660 -0.000 0.000 0.264 114 W C 1.612 177.993 176.519 -0.229 0.000 1.233 114 W CA -0.293 56.748 57.345 -0.506 0.000 1.408 114 W CB -0.861 28.134 29.460 -0.776 0.000 1.038 114 W HN 0.070 nan 8.180 nan 0.000 0.603 115 R N 0.225 119.893 120.500 -1.388 0.000 2.124 115 R HA -0.103 4.237 4.340 0.000 0.000 0.215 115 R C 0.525 176.647 176.300 -0.296 0.000 1.145 115 R CA 2.567 58.070 56.100 -0.994 0.000 0.898 115 R CB -1.367 28.179 30.300 -1.257 0.000 0.790 115 R HN 0.267 nan 8.270 nan 0.000 0.458 116 W N -3.501 117.638 121.300 -0.268 0.000 2.303 116 W HA -0.293 4.367 4.660 0.000 0.000 0.267 116 W C 0.817 177.273 176.519 -0.104 0.000 1.054 116 W CA 0.390 57.655 57.345 -0.134 0.000 0.501 116 W CB -2.229 27.181 29.460 -0.083 0.000 2.076 116 W HN 0.417 nan 8.180 nan 0.000 1.317 117 Y N 2.333 122.610 120.300 -0.037 0.000 2.516 117 Y HA -0.203 4.347 4.550 0.000 0.000 0.284 117 Y C 1.666 177.520 175.900 -0.077 0.000 1.166 117 Y CA 1.814 59.870 58.100 -0.074 0.000 1.350 117 Y CB -0.767 37.607 38.460 -0.143 0.000 0.967 117 Y HN 0.125 nan 8.280 nan 0.000 0.568 118 D N 1.462 121.628 120.400 -0.390 0.000 2.824 118 D HA -0.300 4.340 4.640 0.000 0.000 0.097 118 D C -0.511 175.418 176.300 -0.619 0.000 0.905 118 D CA 1.896 55.636 54.000 -0.433 0.000 0.421 118 D CB -0.005 40.754 40.800 -0.069 0.000 0.878 118 D HN 0.655 nan 8.370 nan 0.000 0.363 119 N N 0.738 119.110 118.700 -0.545 0.000 5.360 119 N HA 0.022 4.762 4.740 0.000 0.000 0.154 119 N C -1.109 174.242 175.510 -0.266 0.000 1.009 119 N CA -0.368 52.529 53.050 -0.256 0.000 1.167 119 N CB 0.551 38.850 38.487 -0.314 0.000 1.517 119 N HN 0.379 nan 8.380 nan 0.000 0.911 120 H N 2.047 121.250 119.070 0.222 0.000 2.649 120 H HA 0.243 4.799 4.556 0.000 0.000 0.258 120 H C -0.274 175.186 175.328 0.221 0.000 1.165 120 H CA 0.035 56.305 56.048 0.371 0.000 1.006 120 H CB 0.773 30.756 29.762 0.369 0.000 1.743 120 H HN 0.171 nan 8.280 nan 0.000 0.609 121 V N 1.186 121.241 119.914 0.235 0.000 2.224 121 V HA 0.365 4.485 4.120 0.000 0.000 0.289 121 V C 1.006 177.177 176.094 0.128 0.000 1.518 121 V CA 0.503 62.885 62.300 0.136 0.000 1.533 121 V CB -0.029 31.834 31.823 0.068 0.000 1.460 121 V HN 0.519 nan 8.190 nan 0.000 0.515 122 A N 1.421 124.304 122.820 0.104 0.000 1.792 122 A HA 0.237 4.557 4.320 0.000 0.000 0.189 122 A C 1.098 178.647 177.584 -0.058 0.000 1.926 122 A CA 0.472 52.551 52.037 0.069 0.000 1.493 122 A CB -0.096 18.946 19.000 0.070 0.000 1.554 122 A HN 0.468 nan 8.150 nan 0.000 0.340 123 L N 0.623 121.740 121.223 -0.177 0.000 2.102 123 L HA 0.265 4.605 4.340 0.000 0.000 0.202 123 L C 1.975 178.815 176.870 -0.051 0.000 1.076 123 L CA 1.716 56.401 54.840 -0.258 0.000 0.761 123 L CB -0.492 41.254 42.059 -0.522 0.000 0.921 123 L HN 0.366 nan 8.230 nan 0.000 0.444 124 L N -0.972 120.296 121.223 0.075 0.000 2.127 124 L HA -0.222 4.118 4.340 0.000 0.000 0.211 124 L C 2.577 179.535 176.870 0.146 0.000 1.089 124 L CA 1.076 56.029 54.840 0.189 0.000 0.757 124 L CB -0.691 41.528 42.059 0.267 0.000 0.899 124 L HN 0.343 nan 8.230 nan 0.000 0.434 125 M N -0.371 119.283 119.600 0.090 0.000 2.099 125 M HA -0.153 4.327 4.480 0.000 0.000 0.262 125 M C 2.050 178.414 176.300 0.107 0.000 1.067 125 M CA 1.578 56.935 55.300 0.094 0.000 1.124 125 M CB -1.066 31.616 32.600 0.136 0.000 1.353 125 M HN 0.321 nan 8.290 nan 0.000 0.410 126 N N 0.682 119.424 118.700 0.070 0.000 2.120 126 N HA -0.091 4.649 4.740 0.000 0.000 0.188 126 N C 1.720 177.430 175.510 0.335 0.000 1.024 126 N CA 1.408 54.531 53.050 0.122 0.000 0.852 126 N CB -0.441 38.166 38.487 0.201 0.000 1.003 126 N HN 0.403 nan 8.380 nan 0.000 0.424 127 M N 0.135 119.881 119.600 0.243 0.000 2.159 127 M HA -0.065 4.415 4.480 0.000 0.000 0.263 127 M C 2.196 178.788 176.300 0.486 0.000 1.063 127 M CA 1.083 56.619 55.300 0.393 0.000 1.110 127 M CB -0.228 32.533 32.600 0.268 0.000 1.374 127 M HN 0.071 nan 8.290 nan 0.000 0.411 128 L N 0.609 122.054 121.223 0.370 0.000 2.072 128 L HA -0.174 4.166 4.340 0.000 0.000 0.205 128 L C 2.929 180.092 176.870 0.488 0.000 1.079 128 L CA 1.307 56.376 54.840 0.382 0.000 0.752 128 L CB -0.273 41.957 42.059 0.284 0.000 0.906 128 L HN 0.270 nan 8.230 nan 0.000 0.436 129 R N -0.040 120.667 120.500 0.345 0.000 2.066 129 R HA -0.075 4.265 4.340 0.000 0.000 0.232 129 R C 2.123 178.610 176.300 0.310 0.000 1.131 129 R CA 1.234 57.501 56.100 0.278 0.000 0.955 129 R CB -1.038 29.297 30.300 0.060 0.000 0.851 129 R HN 0.273 nan 8.270 nan 0.000 0.432 130 A N 0.977 124.064 122.820 0.444 0.000 2.024 130 A HA -0.210 4.110 4.320 0.000 0.000 0.220 130 A C 2.051 179.636 177.584 0.002 0.000 1.164 130 A CA 1.270 53.473 52.037 0.277 0.000 0.643 130 A CB -0.802 18.624 19.000 0.711 0.000 0.806 130 A HN 0.657 nan 8.150 nan 0.000 0.451 131 Y N -0.188 120.175 120.300 0.105 0.000 2.163 131 Y HA -0.221 4.329 4.550 0.000 0.000 0.288 131 Y C 2.265 178.099 175.900 -0.109 0.000 1.136 131 Y CA 2.291 60.379 58.100 -0.021 0.000 1.147 131 Y CB -0.530 37.945 38.460 0.025 0.000 0.987 131 Y HN 0.465 nan 8.280 nan 0.000 0.509 132 H N -0.632 118.432 119.070 -0.009 0.000 2.387 132 H HA -0.140 4.416 4.556 -0.000 0.000 0.299 132 H C 1.913 177.107 175.328 -0.222 0.000 1.090 132 H CA 1.788 57.764 56.048 -0.120 0.000 1.332 132 H CB -0.063 29.746 29.762 0.078 0.000 1.386 132 H HN 0.276 nan 8.280 nan 0.000 0.516 133 L N 0.222 121.340 121.223 -0.176 0.000 2.109 133 L HA -0.118 4.222 4.340 0.000 0.000 0.207 133 L C 2.274 178.928 176.870 -0.361 0.000 1.086 133 L CA 1.422 56.082 54.840 -0.300 0.000 0.760 133 L CB -0.990 40.592 42.059 -0.795 0.000 0.910 133 L HN 0.349 nan 8.230 nan 0.000 0.437 134 Q N -0.309 119.194 119.800 -0.496 0.000 2.119 134 Q HA -0.091 4.249 4.340 0.000 0.000 0.201 134 Q C 2.295 178.131 176.000 -0.273 0.000 0.972 134 Q CA 1.052 56.688 55.803 -0.278 0.000 0.847 134 Q CB 0.050 28.647 28.738 -0.235 0.000 0.903 134 Q HN 0.332 nan 8.270 nan 0.000 0.433 135 V N 0.786 120.458 119.914 -0.404 0.000 2.343 135 V HA -0.253 3.867 4.120 0.000 0.000 0.247 135 V C 2.287 178.268 176.094 -0.188 0.000 1.051 135 V CA 1.149 63.226 62.300 -0.371 0.000 1.036 135 V CB -0.509 30.987 31.823 -0.545 0.000 0.654 135 V HN 0.212 nan 8.190 nan 0.000 0.451 136 L N 0.043 121.195 121.223 -0.119 0.000 2.141 136 L HA -0.101 4.239 4.340 0.000 0.000 0.209 136 L C 2.532 179.440 176.870 0.063 0.000 1.094 136 L CA 2.043 56.879 54.840 -0.008 0.000 0.763 136 L CB -1.269 40.824 42.059 0.056 0.000 0.908 136 L HN 0.346 nan 8.230 nan 0.000 0.437 137 T N -1.382 113.203 114.554 0.050 0.000 2.904 137 T HA -0.125 4.225 4.350 0.000 0.000 0.267 137 T C 1.733 176.425 174.700 -0.013 0.000 1.059 137 T CA 1.128 63.253 62.100 0.040 0.000 1.137 137 T CB -0.045 68.766 68.868 -0.094 0.000 0.879 137 T HN 0.402 nan 8.240 nan 0.000 0.467 138 E N 1.154 121.320 120.200 -0.058 0.000 2.076 138 E HA -0.049 4.301 4.350 0.000 0.000 0.190 138 E C 2.303 178.889 176.600 -0.023 0.000 0.979 138 E CA 0.671 57.035 56.400 -0.061 0.000 0.807 138 E CB -0.058 29.582 29.700 -0.101 0.000 0.761 138 E HN 0.516 nan 8.360 nan 0.000 0.454 139 Q N -0.310 119.481 119.800 -0.014 0.000 2.488 139 Q HA 0.016 4.356 4.340 0.000 0.000 0.211 139 Q C 0.483 176.522 176.000 0.066 0.000 0.967 139 Q CA 0.515 56.333 55.803 0.025 0.000 0.926 139 Q CB 0.496 29.246 28.738 0.021 0.000 0.992 139 Q HN 0.349 nan 8.270 nan 0.000 0.506 140 G N 1.425 110.263 108.800 0.064 0.000 2.341 140 G HA2 -0.277 3.683 3.960 0.000 0.000 0.278 140 G HA3 -0.277 3.683 3.960 0.000 0.000 0.278 140 G C 0.016 174.987 174.900 0.119 0.000 1.111 140 G CA 0.185 45.339 45.100 0.090 0.000 0.982 140 G HN 0.403 nan 8.290 nan 0.000 0.502 141 Q N -1.672 118.200 119.800 0.121 0.000 2.036 141 Q HA 0.178 4.518 4.340 0.000 0.000 0.208 141 Q C 0.211 176.285 176.000 0.123 0.000 0.770 141 Q CA -0.564 55.309 55.803 0.116 0.000 0.992 141 Q CB 0.841 29.631 28.738 0.086 0.000 1.209 141 Q HN 0.587 nan 8.270 nan 0.000 0.445 142 Y N 2.765 123.091 120.300 0.044 0.000 2.644 142 Y HA 0.194 4.744 4.550 -0.000 0.000 0.354 142 Y C -0.314 175.629 175.900 0.072 0.000 1.166 142 Y CA 0.090 58.225 58.100 0.059 0.000 1.591 142 Y CB -0.014 38.487 38.460 0.069 0.000 1.346 142 Y HN -0.006 nan 8.280 nan 0.000 0.497 143 S N 3.828 119.382 115.700 -0.243 0.000 2.564 143 S HA 0.876 5.346 4.470 0.000 0.000 0.274 143 S C -0.327 174.142 174.600 -0.219 0.000 1.124 143 S CA -0.798 57.296 58.200 -0.176 0.000 0.869 143 S CB 1.153 64.338 63.200 -0.025 0.000 1.105 143 S HN 0.903 nan 8.310 nan 0.000 0.472 144 A N 1.038 123.774 122.820 -0.140 0.000 2.504 144 A HA 0.557 4.877 4.320 0.000 0.000 0.242 144 A C 0.829 178.390 177.584 -0.038 0.000 1.100 144 A CA 0.199 52.186 52.037 -0.083 0.000 0.786 144 A CB -0.852 18.135 19.000 -0.022 0.000 1.050 144 A HN 1.599 nan 8.150 nan 0.000 0.512 145 G N -0.391 108.404 108.800 -0.009 0.000 2.367 145 G HA2 0.503 4.463 3.960 0.000 0.000 0.314 145 G HA3 0.503 4.463 3.960 0.000 0.000 0.314 145 G C -1.026 173.889 174.900 0.025 0.000 1.130 145 G CA -0.141 44.967 45.100 0.015 0.000 0.864 145 G HN 0.668 nan 8.290 nan 0.000 0.486 146 D N 1.742 122.162 120.400 0.033 0.000 2.855 146 D HA 0.234 4.874 4.640 0.000 0.000 0.241 146 D C -0.563 175.765 176.300 0.047 0.000 1.277 146 D CA -0.481 53.543 54.000 0.040 0.000 0.918 146 D CB 1.850 42.676 40.800 0.043 0.000 1.462 146 D HN 0.085 nan 8.370 nan 0.000 0.559 147 I N 5.123 125.724 120.570 0.051 0.000 2.505 147 I HA 0.163 4.333 4.170 0.000 0.000 0.287 147 I C -1.858 174.325 176.117 0.109 0.000 1.104 147 I CA -1.271 60.068 61.300 0.064 0.000 1.387 147 I CB 0.205 38.244 38.000 0.066 0.000 1.404 147 I HN 0.098 nan 8.210 nan 0.000 0.528 148 P HA 0.111 nan 4.420 nan 0.000 0.267 148 P C -0.400 177.043 177.300 0.238 0.000 1.205 148 P CA -0.482 62.706 63.100 0.147 0.000 0.765 148 P CB 0.400 32.179 31.700 0.131 0.000 0.828 149 M N 3.176 122.886 119.600 0.182 0.000 2.242 149 M HA 0.322 4.802 4.480 0.000 0.000 0.344 149 M C -0.920 175.496 176.300 0.193 0.000 1.140 149 M CA -0.063 55.340 55.300 0.172 0.000 1.160 149 M CB 0.359 33.020 32.600 0.101 0.000 1.491 149 M HN 0.301 nan 8.290 nan 0.000 0.459 150 Y N 2.086 122.342 120.300 -0.073 0.000 2.331 150 Y HA 0.475 5.025 4.550 -0.000 0.000 0.338 150 Y C -1.487 174.413 175.900 0.001 0.000 0.976 150 Y CA -0.440 57.614 58.100 -0.077 0.000 1.137 150 Y CB 0.670 38.863 38.460 -0.445 0.000 1.172 150 Y HN 0.909 nan 8.280 nan 0.000 0.478 151 H N 5.578 124.402 119.070 -0.410 0.000 2.823 151 H HA 0.254 4.810 4.556 0.000 0.000 0.332 151 H C -0.962 174.143 175.328 -0.372 0.000 0.980 151 H CA -0.811 55.098 56.048 -0.233 0.000 1.286 151 H CB 0.920 30.623 29.762 -0.099 0.000 1.541 151 H HN 0.763 nan 8.280 nan 0.000 0.521 152 D N 3.720 123.887 120.400 -0.387 0.000 3.035 152 D HA 0.188 4.828 4.640 0.000 0.000 0.290 152 D C 1.140 177.391 176.300 -0.082 0.000 1.360 152 D CA 0.242 54.182 54.000 -0.100 0.000 0.862 152 D CB 0.160 41.154 40.800 0.323 0.000 1.078 152 D HN 0.893 nan 8.370 nan 0.000 0.487 153 G N 1.452 110.126 108.800 -0.210 0.000 3.639 153 G HA2 -0.342 3.618 3.960 0.000 0.000 0.224 153 G HA3 -0.342 3.618 3.960 0.000 0.000 0.224 153 G C 0.331 175.004 174.900 -0.379 0.000 1.339 153 G CA 0.724 45.681 45.100 -0.237 0.000 0.933 153 G HN 0.620 nan 8.290 nan 0.000 0.568 154 H N -0.247 118.757 119.070 -0.110 0.000 2.497 154 H HA 0.626 5.182 4.556 0.000 0.000 0.348 154 H C 0.854 176.137 175.328 -0.075 0.000 1.335 154 H CA -0.484 55.534 56.048 -0.049 0.000 1.395 154 H CB 0.568 30.330 29.762 0.001 0.000 1.658 154 H HN 0.410 nan 8.280 nan 0.000 0.613 155 V N 1.265 121.327 119.914 0.247 0.000 3.202 155 V HA -0.278 3.842 4.120 0.000 0.000 0.258 155 V C 0.072 176.198 176.094 0.053 0.000 1.750 155 V CA 0.884 63.285 62.300 0.167 0.000 1.639 155 V CB -1.163 30.803 31.823 0.239 0.000 0.838 155 V HN 0.798 nan 8.190 nan 0.000 0.434 156 K N 6.438 126.877 120.400 0.065 0.000 2.166 156 K HA 0.878 5.198 4.320 0.000 0.000 0.245 156 K C -0.928 175.701 176.600 0.048 0.000 0.967 156 K CA -0.697 55.671 56.287 0.135 0.000 0.863 156 K CB 1.773 34.495 32.500 0.370 0.000 1.107 156 K HN 0.441 nan 8.250 nan 0.000 0.436 157 I N 1.026 121.589 120.570 -0.011 0.000 2.499 157 I HA 0.372 4.542 4.170 0.000 0.000 0.288 157 I C -1.156 174.925 176.117 -0.060 0.000 1.048 157 I CA -1.027 60.188 61.300 -0.142 0.000 1.062 157 I CB 2.185 39.881 38.000 -0.507 0.000 1.238 157 I HN 0.641 nan 8.210 nan 0.000 0.426 158 K N 6.712 127.112 120.400 -0.000 0.000 2.397 158 K HA 0.632 4.952 4.320 0.000 0.000 0.253 158 K C -1.931 174.702 176.600 0.056 0.000 0.932 158 K CA -0.438 55.879 56.287 0.049 0.000 0.795 158 K CB 1.378 33.905 32.500 0.046 0.000 1.159 158 K HN 0.373 nan 8.250 nan 0.000 0.424 159 L N 5.208 126.482 121.223 0.084 0.000 2.329 159 L HA 0.576 4.916 4.340 0.000 0.000 0.279 159 L C -2.140 174.756 176.870 0.043 0.000 1.014 159 L CA -2.147 52.731 54.840 0.064 0.000 0.814 159 L CB 1.011 43.122 42.059 0.086 0.000 1.257 159 L HN 0.711 nan 8.230 nan 0.000 0.424 160 P HA 0.236 nan 4.420 nan 0.000 0.276 160 P C -0.603 176.710 177.300 0.021 0.000 1.243 160 P CA -0.208 62.905 63.100 0.022 0.000 0.768 160 P CB 1.266 32.975 31.700 0.014 0.000 0.856 161 V N 3.462 123.391 119.914 0.026 0.000 2.495 161 V HA 0.136 4.256 4.120 0.000 0.000 0.298 161 V C 1.034 177.146 176.094 0.030 0.000 1.031 161 V CA -0.184 62.132 62.300 0.027 0.000 0.871 161 V CB 1.682 33.523 31.823 0.031 0.000 0.988 161 V HN 0.603 nan 8.190 nan 0.000 0.432 162 T N 6.093 120.666 114.554 0.032 0.000 3.163 162 T HA 0.124 4.474 4.350 0.000 0.000 0.260 162 T C 0.126 174.851 174.700 0.043 0.000 1.156 162 T CA 0.854 62.976 62.100 0.037 0.000 1.072 162 T CB -0.465 68.427 68.868 0.040 0.000 0.937 162 T HN 0.426 nan 8.240 nan 0.000 0.528 163 I N 0.784 121.379 120.570 0.043 0.000 2.685 163 I HA 0.352 4.522 4.170 0.000 0.000 0.289 163 I C -1.462 174.678 176.117 0.039 0.000 1.292 163 I CA -1.407 59.920 61.300 0.045 0.000 1.050 163 I CB 2.042 40.076 38.000 0.057 0.000 1.301 163 I HN -0.093 nan 8.210 nan 0.000 0.425 164 D N 4.911 125.334 120.400 0.037 0.000 2.399 164 D HA 0.054 4.694 4.640 0.000 0.000 0.241 164 D C 0.471 176.790 176.300 0.032 0.000 1.133 164 D CA 0.341 54.361 54.000 0.034 0.000 0.890 164 D CB 0.969 41.788 40.800 0.033 0.000 1.201 164 D HN 0.604 nan 8.370 nan 0.000 0.432 165 D N 1.235 121.652 120.400 0.029 0.000 2.146 165 D HA -0.165 4.475 4.640 0.000 0.000 0.209 165 D C 1.933 178.250 176.300 0.028 0.000 0.973 165 D CA 1.979 55.993 54.000 0.023 0.000 0.860 165 D CB -0.455 40.360 40.800 0.024 0.000 1.015 165 D HN 0.662 nan 8.370 nan 0.000 0.465 166 T N -0.308 114.265 114.554 0.031 0.000 2.624 166 T HA -0.149 4.201 4.350 0.000 0.000 0.268 166 T C 1.869 176.591 174.700 0.035 0.000 1.041 166 T CA 2.077 64.197 62.100 0.033 0.000 1.159 166 T CB -0.682 68.204 68.868 0.031 0.000 0.863 166 T HN 0.100 nan 8.240 nan 0.000 0.434 167 A N 1.580 124.421 122.820 0.035 0.000 2.302 167 A HA 0.611 4.931 4.320 0.000 0.000 0.219 167 A C 1.284 178.894 177.584 0.043 0.000 1.243 167 A CA 0.151 52.210 52.037 0.037 0.000 0.856 167 A CB -0.945 18.075 19.000 0.033 0.000 0.893 167 A HN 0.765 nan 8.150 nan 0.000 0.491 168 G N 0.061 108.888 108.800 0.045 0.000 2.532 168 G HA2 0.516 4.476 3.960 0.000 0.000 0.291 168 G HA3 0.516 4.476 3.960 0.000 0.000 0.291 168 G C -2.497 172.448 174.900 0.076 0.000 1.349 168 G CA -1.238 43.895 45.100 0.055 0.000 1.038 168 G HN 0.231 nan 8.290 nan 0.000 0.518 169 P HA 0.281 nan 4.420 nan 0.000 0.274 169 P C 0.310 177.739 177.300 0.216 0.000 1.256 169 P CA -0.134 63.072 63.100 0.178 0.000 0.795 169 P CB 0.916 32.782 31.700 0.277 0.000 1.038 170 T N -4.318 110.395 114.554 0.266 0.000 3.087 170 T HA 0.223 4.573 4.350 0.000 0.000 0.283 170 T C 0.193 175.104 174.700 0.353 0.000 0.956 170 T CA -0.203 62.066 62.100 0.283 0.000 0.894 170 T CB 0.019 68.974 68.868 0.144 0.000 1.160 170 T HN 0.360 nan 8.240 nan 0.000 0.532 171 Q N 0.860 120.813 119.800 0.255 0.000 2.305 171 Q HA 0.458 4.798 4.340 0.000 0.000 0.271 171 Q C -1.784 173.789 176.000 -0.711 0.000 1.046 171 Q CA -0.896 54.810 55.803 -0.161 0.000 0.798 171 Q CB 2.537 31.202 28.738 -0.121 0.000 1.286 171 Q HN 0.353 nan 8.270 nan 0.000 0.435 172 F N 2.890 121.951 119.950 -1.483 0.000 2.506 172 F HA 0.404 4.931 4.527 0.000 0.000 0.369 172 F C -0.412 174.978 175.800 -0.684 0.000 1.114 172 F CA -0.318 56.844 58.000 -1.396 0.000 1.121 172 F CB -0.011 38.370 39.000 -1.032 0.000 1.104 172 F HN 0.565 nan 8.300 nan 0.000 0.564 173 A N 5.833 128.042 122.820 -1.019 0.000 2.269 173 A HA 0.501 4.821 4.320 0.000 0.000 0.327 173 A C -1.193 175.724 177.584 -1.111 0.000 1.112 173 A CA -0.874 50.607 52.037 -0.926 0.000 0.865 173 A CB 0.267 19.046 19.000 -0.368 0.000 1.227 173 A HN 0.836 nan 8.150 nan 0.000 0.498 174 W N 0.390 121.319 121.300 -0.617 0.000 2.385 174 W HA 0.241 4.901 4.660 -0.000 0.000 0.336 174 W C -1.770 174.522 176.519 -0.377 0.000 1.351 174 W CA -0.712 56.341 57.345 -0.486 0.000 1.295 174 W CB -0.196 29.103 29.460 -0.268 0.000 1.239 174 W HN 0.552 nan 8.180 nan 0.000 0.565 175 P HA -0.163 nan 4.420 nan 0.000 0.218 175 P C 0.327 177.632 177.300 0.008 0.000 1.148 175 P CA 1.363 64.201 63.100 -0.436 0.000 0.822 175 P CB -0.057 30.859 31.700 -1.306 0.000 0.784 176 S N 0.187 115.986 115.700 0.164 0.000 2.505 176 S HA 0.186 4.656 4.470 0.000 0.000 0.276 176 S C -0.043 174.779 174.600 0.371 0.000 1.274 176 S CA -0.686 57.696 58.200 0.302 0.000 1.053 176 S CB 0.350 63.810 63.200 0.432 0.000 0.919 176 S HN -0.063 nan 8.310 nan 0.000 0.490 177 D N 2.256 122.791 120.400 0.225 0.000 2.396 177 D HA 0.244 4.884 4.640 0.000 0.000 0.225 177 D C 0.320 176.678 176.300 0.096 0.000 1.121 177 D CA -0.730 53.332 54.000 0.104 0.000 0.853 177 D CB 0.474 41.191 40.800 -0.139 0.000 1.043 177 D HN 0.635 nan 8.370 nan 0.000 0.500 178 R N 1.868 122.388 120.500 0.033 0.000 2.643 178 R HA 0.430 4.770 4.340 0.000 0.000 0.270 178 R C 0.681 176.904 176.300 -0.128 0.000 1.061 178 R CA -0.193 55.821 56.100 -0.143 0.000 1.107 178 R CB 0.113 29.983 30.300 -0.717 0.000 0.999 178 R HN 0.254 nan 8.270 nan 0.000 0.460 179 S N -1.075 114.561 115.700 -0.106 0.000 2.765 179 S HA -0.213 4.257 4.470 0.000 0.000 0.266 179 S C 0.707 175.275 174.600 -0.054 0.000 1.302 179 S CA 1.461 59.605 58.200 -0.093 0.000 1.274 179 S CB -1.749 61.383 63.200 -0.113 0.000 1.559 179 S HN 0.863 nan 8.310 nan 0.000 0.658 180 T N 1.151 115.684 114.554 -0.035 0.000 3.028 180 T HA 0.232 4.582 4.350 0.000 0.000 0.250 180 T C 0.105 174.793 174.700 -0.020 0.000 0.979 180 T CA 0.745 62.824 62.100 -0.035 0.000 1.004 180 T CB 0.229 69.060 68.868 -0.062 0.000 1.120 180 T HN 0.752 nan 8.240 nan 0.000 0.482 181 D N 1.169 121.554 120.400 -0.025 0.000 2.414 181 D HA 0.595 5.235 4.640 0.000 0.000 0.241 181 D C -0.184 176.048 176.300 -0.114 0.000 1.008 181 D CA -0.810 53.148 54.000 -0.070 0.000 1.001 181 D CB 0.976 41.725 40.800 -0.085 0.000 1.277 181 D HN 0.185 nan 8.370 nan 0.000 0.538 182 S N -0.906 114.712 115.700 -0.138 0.000 2.681 182 S HA 0.566 5.036 4.470 0.000 0.000 0.270 182 S C -0.996 173.468 174.600 -0.228 0.000 1.209 182 S CA -0.649 57.505 58.200 -0.077 0.000 0.988 182 S CB 0.333 63.500 63.200 -0.054 0.000 1.006 182 S HN 0.517 nan 8.310 nan 0.000 0.558 183 Y N -0.481 119.750 120.300 -0.115 0.000 2.545 183 Y HA 0.528 5.078 4.550 -0.000 0.000 0.348 183 Y C -2.514 173.273 175.900 -0.189 0.000 1.002 183 Y CA -2.284 55.729 58.100 -0.144 0.000 1.039 183 Y CB 1.290 39.600 38.460 -0.250 0.000 1.271 183 Y HN 0.501 nan 8.280 nan 0.000 0.467 184 P HA -0.020 nan 4.420 nan 0.000 0.265 184 P C -0.782 176.385 177.300 -0.221 0.000 1.193 184 P CA 0.099 63.244 63.100 0.074 0.000 0.765 184 P CB 0.511 32.487 31.700 0.460 0.000 0.823 185 D N 3.438 123.727 120.400 -0.185 0.000 2.338 185 D HA 0.220 4.860 4.640 0.000 0.000 0.255 185 D C -0.866 175.226 176.300 -0.347 0.000 1.237 185 D CA -0.155 53.664 54.000 -0.301 0.000 0.883 185 D CB 0.039 40.730 40.800 -0.181 0.000 1.087 185 D HN 0.203 nan 8.370 nan 0.000 0.485 186 W N 3.135 124.188 121.300 -0.411 0.000 2.902 186 W HA 0.846 5.506 4.660 0.000 0.000 0.346 186 W C -1.671 174.683 176.519 -0.276 0.000 1.139 186 W CA -1.623 55.349 57.345 -0.622 0.000 1.139 186 W CB 0.447 29.367 29.460 -0.900 0.000 1.439 186 W HN 0.448 nan 8.180 nan 0.000 0.558 187 A N 1.771 124.661 122.820 0.116 0.000 2.583 187 A HA 0.522 4.842 4.320 0.000 0.000 0.298 187 A C -1.227 176.180 177.584 -0.294 0.000 1.055 187 A CA -0.981 51.091 52.037 0.058 0.000 0.714 187 A CB 1.116 20.114 19.000 -0.004 0.000 1.277 187 A HN 0.990 nan 8.150 nan 0.000 0.406 188 Q N 1.316 120.846 119.800 -0.450 0.000 2.304 188 Q HA 0.694 5.034 4.340 0.000 0.000 0.260 188 Q C -1.335 174.705 176.000 0.067 0.000 0.965 188 Q CA 0.557 55.891 55.803 -0.781 0.000 0.898 188 Q CB 0.388 28.793 28.738 -0.556 0.000 1.196 188 Q HN 0.489 nan 8.270 nan 0.000 0.402 189 F N 1.366 121.175 119.950 -0.235 0.000 2.561 189 F HA 0.453 4.980 4.527 -0.000 0.000 0.321 189 F C 0.491 176.263 175.800 -0.047 0.000 1.065 189 F CA -0.774 57.181 58.000 -0.075 0.000 0.934 189 F CB 2.499 41.509 39.000 0.017 0.000 1.215 189 F HN 0.927 nan 8.300 nan 0.000 0.471 190 S N -0.825 114.889 115.700 0.024 0.000 2.911 190 S HA 0.067 4.537 4.470 0.000 0.000 0.261 190 S C -0.552 174.031 174.600 -0.029 0.000 1.021 190 S CA -0.703 57.505 58.200 0.014 0.000 1.222 190 S CB -0.444 62.762 63.200 0.010 0.000 1.171 190 S HN 0.671 nan 8.310 nan 0.000 0.669 191 E N 2.221 122.355 120.200 -0.110 0.000 2.376 191 E HA 0.265 4.615 4.350 0.000 0.000 0.266 191 E C 0.719 177.328 176.600 0.014 0.000 1.009 191 E CA 0.294 56.639 56.400 -0.093 0.000 0.902 191 E CB 0.631 30.210 29.700 -0.202 0.000 0.972 191 E HN 0.310 nan 8.360 nan 0.000 0.439 192 S N 3.668 119.412 115.700 0.074 0.000 2.469 192 S HA -0.137 4.333 4.470 0.000 0.000 0.238 192 S C 0.334 175.117 174.600 0.305 0.000 0.998 192 S CA 0.343 58.637 58.200 0.156 0.000 0.957 192 S CB -0.352 62.909 63.200 0.103 0.000 0.764 192 S HN 0.619 nan 8.310 nan 0.000 0.514 193 F N 2.710 122.691 119.950 0.052 0.000 2.610 193 F HA 0.459 4.986 4.527 0.000 0.000 0.355 193 F C -3.109 172.695 175.800 0.007 0.000 1.140 193 F CA -3.070 54.985 58.000 0.093 0.000 1.037 193 F CB 1.388 40.431 39.000 0.072 0.000 1.287 193 F HN -0.072 nan 8.300 nan 0.000 0.457 194 P HA 0.038 nan 4.420 nan 0.000 0.266 194 P C -0.134 176.934 177.300 -0.387 0.000 1.195 194 P CA 0.211 63.157 63.100 -0.256 0.000 0.768 194 P CB 1.161 32.584 31.700 -0.462 0.000 0.838 195 S N 0.793 116.386 115.700 -0.178 0.000 2.559 195 S HA 0.311 4.781 4.470 0.000 0.000 0.226 195 S C 0.299 174.905 174.600 0.010 0.000 1.000 195 S CA -0.140 57.936 58.200 -0.206 0.000 0.948 195 S CB -0.411 62.680 63.200 -0.182 0.000 0.870 195 S HN 0.270 nan 8.310 nan 0.000 0.497 196 I N 1.209 121.867 120.570 0.145 0.000 2.607 196 I HA 0.366 4.536 4.170 0.000 0.000 0.290 196 I C -1.143 175.038 176.117 0.107 0.000 1.129 196 I CA -0.701 60.672 61.300 0.121 0.000 1.042 196 I CB 1.749 39.803 38.000 0.090 0.000 1.242 196 I HN -0.149 nan 8.210 nan 0.000 0.421 197 D N 4.919 125.355 120.400 0.060 0.000 2.346 197 D HA 0.450 5.090 4.640 0.000 0.000 0.267 197 D C -0.777 175.452 176.300 -0.117 0.000 1.320 197 D CA 0.800 54.785 54.000 -0.023 0.000 0.951 197 D CB 0.482 41.311 40.800 0.049 0.000 1.079 197 D HN 0.410 nan 8.370 nan 0.000 0.509 198 V N 4.654 124.419 119.914 -0.249 0.000 3.278 198 V HA 0.394 4.514 4.120 0.000 0.000 0.288 198 V C -2.455 173.325 176.094 -0.523 0.000 1.514 198 V CA -1.685 60.404 62.300 -0.352 0.000 1.051 198 V CB 2.529 34.127 31.823 -0.376 0.000 1.163 198 V HN 0.420 nan 8.190 nan 0.000 0.458 199 P HA 0.208 nan 4.420 nan 0.000 0.265 199 P C -1.779 175.328 177.300 -0.322 0.000 1.193 199 P CA 0.387 63.315 63.100 -0.286 0.000 0.765 199 P CB -0.025 31.545 31.700 -0.217 0.000 0.823 200 Y N 2.460 122.778 120.300 0.030 0.000 2.373 200 Y HA 0.340 4.890 4.550 0.000 0.000 0.327 200 Y C 0.259 176.261 175.900 0.170 0.000 1.036 200 Y CA -0.763 57.394 58.100 0.095 0.000 1.265 200 Y CB 1.086 39.546 38.460 -0.000 0.000 1.108 200 Y HN 0.148 nan 8.280 nan 0.000 0.471 201 L N 0.145 121.616 121.223 0.413 0.000 2.317 201 L HA 0.712 5.052 4.340 0.000 0.000 0.281 201 L C -0.333 176.794 176.870 0.427 0.000 1.024 201 L CA -0.942 54.159 54.840 0.436 0.000 0.810 201 L CB 1.827 44.176 42.059 0.484 0.000 1.240 201 L HN 0.325 nan 8.230 nan 0.000 0.427 202 D N 2.494 123.124 120.400 0.383 0.000 2.313 202 D HA 0.293 4.933 4.640 0.000 0.000 0.239 202 D C 0.393 176.942 176.300 0.415 0.000 1.142 202 D CA -0.096 54.124 54.000 0.366 0.000 0.847 202 D CB 2.089 43.077 40.800 0.314 0.000 1.082 202 D HN 0.577 nan 8.370 nan 0.000 0.480 203 V N 1.695 121.827 119.914 0.362 0.000 3.276 203 V HA 0.229 4.349 4.120 0.000 0.000 0.319 203 V C 1.753 177.993 176.094 0.243 0.000 1.476 203 V CA -0.314 62.168 62.300 0.304 0.000 1.097 203 V CB -0.006 31.980 31.823 0.272 0.000 0.988 203 V HN 0.301 nan 8.190 nan 0.000 0.473 204 R N 2.268 122.833 120.500 0.108 0.000 2.159 204 R HA -0.116 4.224 4.340 0.000 0.000 0.252 204 R C -0.386 175.753 176.300 -0.267 0.000 1.144 204 R CA 2.705 58.712 56.100 -0.155 0.000 0.961 204 R CB -1.889 28.354 30.300 -0.096 0.000 0.877 204 R HN 0.565 nan 8.270 nan 0.000 0.444 205 P HA -0.034 nan 4.420 nan 0.000 0.233 205 P C 0.026 177.315 177.300 -0.019 0.000 1.167 205 P CA 0.804 63.802 63.100 -0.171 0.000 0.770 205 P CB 0.073 31.610 31.700 -0.272 0.000 0.837 206 L N 0.266 121.531 121.223 0.070 0.000 2.452 206 L HA 0.172 4.512 4.340 0.000 0.000 0.267 206 L C 1.352 178.340 176.870 0.196 0.000 1.188 206 L CA -0.360 54.560 54.840 0.133 0.000 0.821 206 L CB 0.143 42.287 42.059 0.141 0.000 1.102 206 L HN -0.011 nan 8.230 nan 0.000 0.470 207 T N -1.361 113.267 114.554 0.122 0.000 2.849 207 T HA 0.111 4.461 4.350 0.000 0.000 0.284 207 T C 1.113 175.846 174.700 0.055 0.000 1.004 207 T CA -0.489 61.674 62.100 0.105 0.000 1.021 207 T CB 1.614 70.520 68.868 0.064 0.000 1.013 207 T HN 0.391 nan 8.240 nan 0.000 0.527 208 V N 2.134 122.067 119.914 0.030 0.000 2.278 208 V HA -0.208 3.912 4.120 0.000 0.000 0.251 208 V C 2.513 178.590 176.094 -0.028 0.000 1.062 208 V CA 2.983 65.264 62.300 -0.032 0.000 1.038 208 V CB -1.297 30.525 31.823 -0.001 0.000 0.646 208 V HN 1.161 nan 8.190 nan 0.000 0.447 209 T N -0.236 114.320 114.554 0.003 0.000 2.777 209 T HA -0.156 4.194 4.350 0.000 0.000 0.266 209 T C 1.667 176.387 174.700 0.034 0.000 1.040 209 T CA 1.821 63.924 62.100 0.005 0.000 1.141 209 T CB -0.269 68.597 68.868 -0.003 0.000 0.868 209 T HN 0.694 nan 8.240 nan 0.000 0.444 210 E N 0.489 120.716 120.200 0.046 0.000 2.106 210 E HA -0.076 4.274 4.350 0.000 0.000 0.192 210 E C 2.327 178.977 176.600 0.083 0.000 0.984 210 E CA 0.845 57.307 56.400 0.104 0.000 0.806 210 E CB -0.163 29.593 29.700 0.094 0.000 0.750 210 E HN 0.275 nan 8.360 nan 0.000 0.458 211 V N 2.072 121.968 119.914 -0.030 0.000 2.358 211 V HA -0.233 3.887 4.120 0.000 0.000 0.246 211 V C 1.954 177.907 176.094 -0.235 0.000 1.047 211 V CA 1.465 63.663 62.300 -0.170 0.000 1.035 211 V CB -0.533 31.117 31.823 -0.288 0.000 0.658 211 V HN 0.265 nan 8.190 nan 0.000 0.452 212 N N 0.113 118.719 118.700 -0.156 0.000 2.094 212 N HA -0.222 4.518 4.740 0.000 0.000 0.191 212 N C 1.767 177.207 175.510 -0.117 0.000 1.023 212 N CA 1.980 54.939 53.050 -0.152 0.000 0.857 212 N CB -0.480 37.974 38.487 -0.054 0.000 1.013 212 N HN 0.606 nan 8.380 nan 0.000 0.426 213 F N 1.389 121.268 119.950 -0.118 0.000 2.269 213 F HA -0.115 4.412 4.527 -0.000 0.000 0.301 213 F C 1.941 177.717 175.800 -0.040 0.000 1.082 213 F CA 0.644 58.651 58.000 0.011 0.000 1.360 213 F CB 0.156 39.196 39.000 0.066 0.000 1.041 213 F HN -0.214 nan 8.300 nan 0.000 0.512 214 V N 0.615 120.315 119.914 -0.356 0.000 2.488 214 V HA -0.238 3.882 4.120 0.000 0.000 0.246 214 V C 2.092 177.909 176.094 -0.462 0.000 1.046 214 V CA 1.532 63.525 62.300 -0.513 0.000 1.053 214 V CB -0.502 31.063 31.823 -0.430 0.000 0.679 214 V HN 0.323 nan 8.190 nan 0.000 0.458 215 L N -1.068 119.880 121.223 -0.458 0.000 2.395 215 L HA 0.008 4.348 4.340 0.000 0.000 0.218 215 L C 2.268 179.012 176.870 -0.210 0.000 1.130 215 L CA 0.920 55.445 54.840 -0.525 0.000 0.826 215 L CB -0.395 40.939 42.059 -1.208 0.000 0.941 215 L HN 0.239 nan 8.230 nan 0.000 0.451 216 M N -1.458 118.028 119.600 -0.189 0.000 2.435 216 M HA 0.060 4.540 4.480 0.000 0.000 0.265 216 M C 1.792 178.096 176.300 0.007 0.000 1.104 216 M CA 1.148 56.428 55.300 -0.034 0.000 1.140 216 M CB -0.247 32.279 32.600 -0.124 0.000 1.372 216 M HN 0.222 nan 8.290 nan 0.000 0.456 217 M N -1.259 118.223 119.600 -0.197 0.000 2.541 217 M HA 0.046 4.526 4.480 0.000 0.000 0.252 217 M C 1.803 178.032 176.300 -0.118 0.000 1.125 217 M CA 0.738 55.943 55.300 -0.158 0.000 1.091 217 M CB -0.715 31.608 32.600 -0.462 0.000 1.420 217 M HN 0.225 nan 8.290 nan 0.000 0.486 218 M N -0.170 119.341 119.600 -0.150 0.000 2.435 218 M HA 0.044 4.524 4.480 0.000 0.000 0.265 218 M C 1.113 177.451 176.300 0.063 0.000 1.104 218 M CA 0.303 55.509 55.300 -0.157 0.000 1.140 218 M CB 0.044 32.514 32.600 -0.216 0.000 1.372 218 M HN 0.119 nan 8.290 nan 0.000 0.456 219 S N 0.033 115.852 115.700 0.198 0.000 2.634 219 S HA 0.260 4.730 4.470 0.000 0.000 0.261 219 S C 0.106 174.783 174.600 0.128 0.000 1.271 219 S CA -0.821 57.536 58.200 0.261 0.000 0.985 219 S CB 0.289 63.762 63.200 0.456 0.000 0.968 219 S HN 0.325 nan 8.310 nan 0.000 0.568 220 K N 0.645 121.064 120.400 0.032 0.000 2.489 220 K HA 0.006 4.326 4.320 0.000 0.000 0.278 220 K C -0.587 176.061 176.600 0.080 0.000 1.000 220 K CA 0.065 56.347 56.287 -0.009 0.000 1.012 220 K CB 0.286 32.711 32.500 -0.125 0.000 0.903 220 K HN 0.601 nan 8.250 nan 0.000 0.485 221 W N 4.931 126.170 121.300 -0.101 0.000 2.469 221 W HA 0.201 4.861 4.660 0.000 0.000 0.320 221 W C -0.831 175.615 176.519 -0.122 0.000 1.086 221 W CA -0.376 56.946 57.345 -0.040 0.000 1.211 221 W CB 0.990 30.402 29.460 -0.080 0.000 1.298 221 W HN 0.552 nan 8.180 nan 0.000 0.525 222 H N 4.832 124.033 119.070 0.217 0.000 2.646 222 H HA 0.194 4.750 4.556 0.000 0.000 0.328 222 H C -0.099 175.442 175.328 0.355 0.000 0.998 222 H CA -0.692 55.506 56.048 0.250 0.000 1.225 222 H CB 1.758 31.584 29.762 0.107 0.000 1.457 222 H HN 0.284 nan 8.280 nan 0.000 0.505 223 R N 2.750 123.534 120.500 0.473 0.000 2.402 223 R HA -0.010 4.330 4.340 0.000 0.000 0.331 223 R C 0.407 176.896 176.300 0.315 0.000 1.040 223 R CA 0.006 56.347 56.100 0.402 0.000 0.980 223 R CB 0.318 30.781 30.300 0.271 0.000 0.967 223 R HN 0.451 nan 8.270 nan 0.000 0.440 224 R N 1.142 121.836 120.500 0.322 0.000 2.237 224 R HA 0.074 4.414 4.340 0.000 0.000 0.195 224 R C 0.325 176.738 176.300 0.188 0.000 0.956 224 R CA 1.025 57.271 56.100 0.244 0.000 1.029 224 R CB 0.567 31.030 30.300 0.271 0.000 0.972 224 R HN 0.778 nan 8.270 nan 0.000 0.493 225 T N -3.357 111.308 114.554 0.185 0.000 2.807 225 T HA 0.320 4.670 4.350 0.000 0.000 0.277 225 T C 0.514 175.271 174.700 0.095 0.000 1.006 225 T CA -0.857 61.298 62.100 0.091 0.000 1.006 225 T CB 1.273 70.138 68.868 -0.005 0.000 1.274 225 T HN -0.105 nan 8.240 nan 0.000 0.569 226 N N -0.077 118.657 118.700 0.056 0.000 2.353 226 N HA 0.162 4.902 4.740 0.000 0.000 0.185 226 N C 0.251 175.796 175.510 0.058 0.000 1.098 226 N CA 0.024 53.108 53.050 0.056 0.000 0.872 226 N CB -0.054 38.456 38.487 0.038 0.000 0.970 226 N HN 0.522 nan 8.380 nan 0.000 0.467 227 L N 0.926 122.187 121.223 0.063 0.000 2.485 227 L HA 0.068 4.408 4.340 0.000 0.000 0.275 227 L C 1.801 178.726 176.870 0.092 0.000 1.207 227 L CA -0.520 54.364 54.840 0.073 0.000 0.855 227 L CB 0.472 42.576 42.059 0.075 0.000 1.114 227 L HN 0.023 nan 8.230 nan 0.000 0.485 228 A N 4.564 127.431 122.820 0.079 0.000 1.917 228 A HA -0.200 4.120 4.320 0.000 0.000 0.219 228 A C 1.830 179.490 177.584 0.126 0.000 1.182 228 A CA 2.082 54.163 52.037 0.073 0.000 0.633 228 A CB -0.797 18.227 19.000 0.040 0.000 0.819 228 A HN 0.881 nan 8.150 nan 0.000 0.448 229 I N -3.477 117.170 120.570 0.129 0.000 3.334 229 I HA 0.054 4.224 4.170 0.000 0.000 0.282 229 I C 0.816 177.013 176.117 0.132 0.000 1.313 229 I CA 1.447 62.854 61.300 0.178 0.000 1.396 229 I CB -0.215 37.837 38.000 0.086 0.000 1.054 229 I HN 0.051 nan 8.210 nan 0.000 0.495 230 D N 1.114 121.595 120.400 0.135 0.000 2.460 230 D HA 0.056 4.696 4.640 0.000 0.000 0.229 230 D C 0.114 176.417 176.300 0.005 0.000 1.170 230 D CA -0.540 53.537 54.000 0.128 0.000 0.827 230 D CB -0.305 40.671 40.800 0.293 0.000 0.973 230 D HN 0.526 nan 8.370 nan 0.000 0.496 231 Y N -0.124 120.098 120.300 -0.129 0.000 2.729 231 Y HA 0.172 4.722 4.550 0.000 0.000 0.331 231 Y C 0.627 176.456 175.900 -0.119 0.000 1.208 231 Y CA -1.154 56.882 58.100 -0.107 0.000 1.521 231 Y CB -0.015 38.364 38.460 -0.134 0.000 1.233 231 Y HN -0.118 nan 8.280 nan 0.000 0.539 232 E N 3.511 123.762 120.200 0.084 0.000 2.558 232 E HA 0.364 4.714 4.350 0.000 0.000 0.255 232 E C -0.857 175.814 176.600 0.117 0.000 0.968 232 E CA 0.586 57.056 56.400 0.116 0.000 0.939 232 E CB 0.119 29.903 29.700 0.141 0.000 0.921 232 E HN 0.863 nan 8.360 nan 0.000 0.477 233 A N 4.986 127.848 122.820 0.071 0.000 2.515 233 A HA 0.739 5.059 4.320 0.000 0.000 0.296 233 A C -2.681 174.883 177.584 -0.034 0.000 1.094 233 A CA -1.513 50.557 52.037 0.054 0.000 0.718 233 A CB 1.610 20.576 19.000 -0.056 0.000 1.307 233 A HN 0.605 nan 8.150 nan 0.000 0.408 234 P HA 0.343 nan 4.420 nan 0.000 0.328 234 P C -1.181 176.046 177.300 -0.122 0.000 1.305 234 P CA -0.398 62.622 63.100 -0.134 0.000 0.745 234 P CB 0.268 31.886 31.700 -0.136 0.000 1.462 235 Q N 0.042 119.793 119.800 -0.082 0.000 2.349 235 Q HA 0.280 4.620 4.340 0.000 0.000 0.254 235 Q C 0.917 176.900 176.000 -0.029 0.000 0.980 235 Q CA -0.482 55.307 55.803 -0.023 0.000 0.924 235 Q CB 0.493 29.251 28.738 0.033 0.000 1.209 235 Q HN 0.230 nan 8.270 nan 0.000 0.445 236 L N 1.174 122.354 121.223 -0.071 0.000 2.151 236 L HA -0.242 4.098 4.340 0.000 0.000 0.219 236 L C 0.896 177.860 176.870 0.156 0.000 1.083 236 L CA 1.783 56.598 54.840 -0.041 0.000 0.782 236 L CB -0.724 41.167 42.059 -0.279 0.000 0.891 236 L HN 0.806 nan 8.230 nan 0.000 0.439 237 A N -1.601 121.324 122.820 0.175 0.000 2.539 237 A HA 0.467 4.787 4.320 0.000 0.000 0.296 237 A C -0.320 177.400 177.584 0.226 0.000 1.073 237 A CA -0.620 51.556 52.037 0.231 0.000 0.700 237 A CB 1.357 20.552 19.000 0.326 0.000 1.296 237 A HN -0.043 nan 8.150 nan 0.000 0.405 238 D N 0.036 120.530 120.400 0.156 0.000 2.301 238 D HA 0.151 4.791 4.640 0.000 0.000 0.206 238 D C 0.262 176.625 176.300 0.105 0.000 0.979 238 D CA 1.321 55.381 54.000 0.100 0.000 0.874 238 D CB 0.412 41.236 40.800 0.040 0.000 0.968 238 D HN 0.520 nan 8.370 nan 0.000 0.510 239 K N -0.290 120.198 120.400 0.146 0.000 2.557 239 K HA 0.401 4.721 4.320 0.000 0.000 0.257 239 K C -1.788 174.910 176.600 0.163 0.000 0.933 239 K CA -0.719 55.607 56.287 0.065 0.000 0.820 239 K CB 1.472 33.952 32.500 -0.034 0.000 1.330 239 K HN -0.082 nan 8.250 nan 0.000 0.432 240 F N 0.088 120.021 119.950 -0.028 0.000 2.807 240 F HA 0.783 5.310 4.527 0.000 0.000 0.316 240 F C -2.094 173.644 175.800 -0.103 0.000 1.162 240 F CA -1.001 56.934 58.000 -0.108 0.000 0.910 240 F CB 0.883 39.900 39.000 0.029 0.000 1.314 240 F HN 0.462 nan 8.300 nan 0.000 0.454 241 A N 1.193 124.029 122.820 0.028 0.000 2.386 241 A HA 0.796 5.116 4.320 0.000 0.000 0.311 241 A C -2.048 175.764 177.584 0.381 0.000 1.068 241 A CA -0.758 51.252 52.037 -0.045 0.000 0.743 241 A CB 1.049 19.798 19.000 -0.419 0.000 1.258 241 A HN 1.369 nan 8.150 nan 0.000 0.429 242 Y N -0.226 120.227 120.300 0.255 0.000 2.393 242 Y HA 0.775 5.325 4.550 -0.000 0.000 0.341 242 Y C -0.084 175.986 175.900 0.284 0.000 0.988 242 Y CA -1.083 57.197 58.100 0.299 0.000 1.078 242 Y CB 1.307 39.913 38.460 0.243 0.000 1.203 242 Y HN 0.696 nan 8.280 nan 0.000 0.453 243 R N 4.351 125.066 120.500 0.359 0.000 2.216 243 R HA 0.307 4.647 4.340 0.000 0.000 0.332 243 R C -1.358 175.154 176.300 0.352 0.000 1.056 243 R CA -0.108 56.151 56.100 0.266 0.000 0.901 243 R CB 0.063 30.502 30.300 0.232 0.000 1.039 243 R HN 0.950 nan 8.270 nan 0.000 0.456 244 H N 2.043 121.216 119.070 0.172 0.000 3.068 244 H HA 0.173 4.729 4.556 0.000 0.000 0.342 244 H C -0.614 174.788 175.328 0.124 0.000 1.284 244 H CA 0.099 56.261 56.048 0.189 0.000 1.181 244 H CB 2.171 32.132 29.762 0.331 0.000 1.898 244 H HN 0.625 nan 8.280 nan 0.000 0.540 245 A N 3.756 126.555 122.820 -0.034 0.000 2.119 245 A HA 0.174 4.494 4.320 0.000 0.000 0.217 245 A C 0.562 178.301 177.584 0.258 0.000 1.153 245 A CA 0.652 52.737 52.037 0.081 0.000 0.692 245 A CB 0.051 19.031 19.000 -0.033 0.000 0.799 245 A HN 0.377 nan 8.150 nan 0.000 0.458 246 L N -1.538 120.051 121.223 0.610 0.000 2.309 246 L HA 0.400 4.740 4.340 0.000 0.000 0.261 246 L C -0.714 176.315 176.870 0.265 0.000 1.021 246 L CA -0.769 54.282 54.840 0.351 0.000 0.823 246 L CB 2.491 44.720 42.059 0.284 0.000 1.366 246 L HN -0.087 nan 8.230 nan 0.000 0.423 247 T N 1.209 115.869 114.554 0.176 0.000 2.929 247 T HA 0.207 4.557 4.350 0.000 0.000 0.331 247 T C -0.297 174.492 174.700 0.149 0.000 1.120 247 T CA -0.244 61.977 62.100 0.201 0.000 0.973 247 T CB 1.080 70.041 68.868 0.154 0.000 1.036 247 T HN 0.242 nan 8.240 nan 0.000 0.502 248 V N 4.796 124.775 119.914 0.108 0.000 2.521 248 V HA 0.185 4.305 4.120 0.000 0.000 0.286 248 V C 0.300 176.431 176.094 0.061 0.000 1.034 248 V CA 0.302 62.602 62.300 0.000 0.000 1.045 248 V CB 0.842 32.565 31.823 -0.166 0.000 0.974 248 V HN 0.936 nan 8.190 nan 0.000 0.480 249 Q N 2.528 122.368 119.800 0.067 0.000 2.093 249 Q HA 0.286 4.626 4.340 0.000 0.000 0.217 249 Q C 0.540 176.570 176.000 0.051 0.000 0.785 249 Q CA -0.040 55.815 55.803 0.087 0.000 1.038 249 Q CB 0.145 28.928 28.738 0.075 0.000 1.190 249 Q HN 0.723 nan 8.270 nan 0.000 0.468 250 D N 1.617 122.055 120.400 0.062 0.000 2.218 250 D HA -0.093 4.547 4.640 0.000 0.000 0.204 250 D C 1.560 177.843 176.300 -0.029 0.000 0.976 250 D CA 1.601 55.653 54.000 0.087 0.000 0.853 250 D CB 0.044 40.960 40.800 0.194 0.000 0.939 250 D HN 0.457 nan 8.370 nan 0.000 0.481 251 A N 0.426 123.261 122.820 0.025 0.000 1.975 251 A HA -0.069 4.251 4.320 0.000 0.000 0.215 251 A C 1.556 179.061 177.584 -0.132 0.000 1.170 251 A CA 1.060 53.023 52.037 -0.122 0.000 0.656 251 A CB -0.192 18.917 19.000 0.181 0.000 0.821 251 A HN 0.017 nan 8.150 nan 0.000 0.449 252 D N 0.162 120.565 120.400 0.004 0.000 2.144 252 D HA -0.096 4.544 4.640 0.000 0.000 0.200 252 D C 1.841 178.049 176.300 -0.154 0.000 0.978 252 D CA 1.321 55.280 54.000 -0.068 0.000 0.833 252 D CB -0.178 40.631 40.800 0.015 0.000 0.961 252 D HN 0.619 nan 8.370 nan 0.000 0.470 253 E N -0.518 119.602 120.200 -0.132 0.000 2.106 253 E HA -0.160 4.190 4.350 0.000 0.000 0.192 253 E C 1.572 178.061 176.600 -0.185 0.000 0.984 253 E CA 0.567 56.889 56.400 -0.131 0.000 0.806 253 E CB -0.167 29.487 29.700 -0.077 0.000 0.750 253 E HN 0.414 nan 8.360 nan 0.000 0.458 254 W N 1.192 122.166 121.300 -0.542 0.000 2.595 254 W HA -0.037 4.623 4.660 0.000 0.000 0.257 254 W C 1.459 177.683 176.519 -0.491 0.000 1.267 254 W CA 0.436 57.401 57.345 -0.633 0.000 1.300 254 W CB 0.199 28.854 29.460 -1.342 0.000 1.120 254 W HN -0.049 nan 8.180 nan 0.000 0.618 255 I N 1.261 121.564 120.570 -0.444 0.000 2.756 255 I HA -0.121 4.050 4.170 0.000 0.000 0.262 255 I C 0.795 176.626 176.117 -0.478 0.000 1.225 255 I CA 1.330 62.288 61.300 -0.570 0.000 1.472 255 I CB -1.369 36.317 38.000 -0.523 0.000 1.094 255 I HN 0.113 nan 8.210 nan 0.000 0.454 256 E N -1.150 118.819 120.200 -0.385 0.000 2.404 256 E HA 0.410 4.760 4.350 0.000 0.000 0.264 256 E C 0.946 177.383 176.600 -0.272 0.000 0.946 256 E CA -0.291 55.936 56.400 -0.288 0.000 0.806 256 E CB 0.323 29.902 29.700 -0.200 0.000 1.334 256 E HN -0.068 nan 8.360 nan 0.000 0.429 257 G N 0.455 109.138 108.800 -0.195 0.000 2.462 257 G HA2 -0.275 3.685 3.960 0.000 0.000 0.220 257 G HA3 -0.275 3.685 3.960 0.000 0.000 0.220 257 G C 0.621 175.455 174.900 -0.111 0.000 1.121 257 G CA 1.287 46.296 45.100 -0.151 0.000 0.758 257 G HN 0.464 nan 8.290 nan 0.000 0.559 258 D N 0.356 120.693 120.400 -0.104 0.000 2.205 258 D HA -0.135 4.505 4.640 0.000 0.000 0.190 258 D C 1.579 177.855 176.300 -0.041 0.000 1.002 258 D CA 1.012 54.972 54.000 -0.067 0.000 0.848 258 D CB -0.086 40.671 40.800 -0.071 0.000 0.975 258 D HN 0.218 nan 8.370 nan 0.000 0.449 259 R N 0.690 121.161 120.500 -0.049 0.000 2.234 259 R HA 0.275 4.615 4.340 0.000 0.000 0.324 259 R C -0.329 176.029 176.300 0.096 0.000 1.054 259 R CA -0.132 55.983 56.100 0.024 0.000 0.912 259 R CB 0.569 30.868 30.300 -0.002 0.000 1.030 259 R HN 0.223 nan 8.270 nan 0.000 0.455 260 T N 0.188 114.825 114.554 0.138 0.000 2.898 260 T HA 0.017 4.367 4.350 0.000 0.000 0.301 260 T C 1.023 175.952 174.700 0.381 0.000 1.049 260 T CA -0.690 61.515 62.100 0.176 0.000 1.095 260 T CB 1.109 70.048 68.868 0.119 0.000 0.976 260 T HN 0.571 nan 8.240 nan 0.000 0.539 261 D N 0.574 121.210 120.400 0.393 0.000 2.133 261 D HA -0.179 4.461 4.640 0.000 0.000 0.195 261 D C 1.545 178.073 176.300 0.379 0.000 0.997 261 D CA 1.429 55.792 54.000 0.606 0.000 0.840 261 D CB -0.255 40.786 40.800 0.402 0.000 0.947 261 D HN 0.815 nan 8.370 nan 0.000 0.452 262 D N 0.353 120.893 120.400 0.233 0.000 2.095 262 D HA -0.197 4.443 4.640 0.000 0.000 0.192 262 D C 1.069 177.456 176.300 0.144 0.000 0.990 262 D CA 1.281 55.369 54.000 0.147 0.000 0.836 262 D CB -0.075 40.786 40.800 0.102 0.000 0.979 262 D HN 0.308 nan 8.370 nan 0.000 0.447 263 Q N -0.649 119.245 119.800 0.157 0.000 2.362 263 Q HA 0.047 4.387 4.340 0.000 0.000 0.210 263 Q C 0.375 176.512 176.000 0.228 0.000 0.924 263 Q CA 0.368 56.259 55.803 0.148 0.000 0.982 263 Q CB -0.514 28.299 28.738 0.125 0.000 1.028 263 Q HN 0.322 nan 8.270 nan 0.000 0.482 264 F N 0.376 120.333 119.950 0.012 0.000 3.021 264 F HA 0.242 4.769 4.527 0.000 0.000 0.376 264 F C 0.005 175.868 175.800 0.105 0.000 1.075 264 F CA -0.903 57.062 58.000 -0.058 0.000 1.073 264 F CB 0.597 39.386 39.000 -0.351 0.000 1.243 264 F HN 0.073 nan 8.300 nan 0.000 0.540 265 R N 2.141 122.657 120.500 0.026 0.000 2.595 265 R HA -0.046 4.294 4.340 0.000 0.000 0.269 265 R C -2.473 173.575 176.300 -0.421 0.000 0.977 265 R CA -0.542 55.458 56.100 -0.168 0.000 1.093 265 R CB -1.477 28.722 30.300 -0.169 0.000 0.904 265 R HN 0.051 nan 8.270 nan 0.000 0.425 266 P HA 0.069 nan 4.420 nan 0.000 0.263 266 P C -2.184 174.766 177.300 -0.582 0.000 1.195 266 P CA -0.854 61.482 63.100 -1.273 0.000 0.762 266 P CB 0.190 31.095 31.700 -1.325 0.000 0.799 267 P HA -0.006 nan 4.420 nan 0.000 0.270 267 P C -0.020 177.105 177.300 -0.293 0.000 1.223 267 P CA -0.075 62.853 63.100 -0.288 0.000 0.785 267 P CB 0.240 31.796 31.700 -0.241 0.000 0.923 268 S N -0.055 115.518 115.700 -0.211 0.000 2.566 268 S HA -0.016 4.454 4.470 0.000 0.000 0.280 268 S C 1.557 176.045 174.600 -0.186 0.000 1.343 268 S CA 0.231 58.323 58.200 -0.179 0.000 1.036 268 S CB -0.199 62.927 63.200 -0.123 0.000 0.866 268 S HN 0.582 nan 8.310 nan 0.000 0.526 269 S N 1.456 117.049 115.700 -0.177 0.000 2.440 269 S HA -0.171 4.299 4.470 0.000 0.000 0.238 269 S C 1.605 176.259 174.600 0.089 0.000 1.010 269 S CA 1.139 59.264 58.200 -0.126 0.000 0.972 269 S CB -0.504 62.433 63.200 -0.438 0.000 0.774 269 S HN 0.764 nan 8.310 nan 0.000 0.501 270 K N 1.083 121.486 120.400 0.005 0.000 2.103 270 K HA 0.161 4.481 4.320 0.000 0.000 0.204 270 K C 1.841 178.432 176.600 -0.016 0.000 1.052 270 K CA 1.277 57.577 56.287 0.023 0.000 0.945 270 K CB -0.586 31.908 32.500 -0.010 0.000 0.722 270 K HN 0.328 nan 8.250 nan 0.000 0.443 271 V N 0.537 120.410 119.914 -0.069 0.000 2.591 271 V HA -0.147 3.973 4.120 0.000 0.000 0.249 271 V C 2.094 178.102 176.094 -0.144 0.000 1.053 271 V CA 1.452 63.697 62.300 -0.092 0.000 1.068 271 V CB -0.374 31.379 31.823 -0.117 0.000 0.689 271 V HN 0.306 nan 8.190 nan 0.000 0.462 272 M N -0.520 118.932 119.600 -0.247 0.000 2.156 272 M HA -0.098 4.382 4.480 0.000 0.000 0.264 272 M C 2.184 178.464 176.300 -0.034 0.000 1.067 272 M CA 1.818 56.857 55.300 -0.435 0.000 1.131 272 M CB -0.318 31.944 32.600 -0.563 0.000 1.368 272 M HN 0.337 nan 8.290 nan 0.000 0.416 273 L N -0.154 121.074 121.223 0.007 0.000 2.109 273 L HA -0.131 4.209 4.340 0.000 0.000 0.207 273 L C 2.606 179.458 176.870 -0.029 0.000 1.086 273 L CA 1.550 56.339 54.840 -0.084 0.000 0.760 273 L CB -0.228 41.701 42.059 -0.217 0.000 0.910 273 L HN 0.344 nan 8.230 nan 0.000 0.437 274 S N -0.271 115.426 115.700 -0.005 0.000 2.406 274 S HA -0.026 4.444 4.470 0.000 0.000 0.228 274 S C 2.036 176.680 174.600 0.073 0.000 1.020 274 S CA 0.608 58.818 58.200 0.016 0.000 0.965 274 S CB -0.478 62.727 63.200 0.008 0.000 0.798 274 S HN 0.490 nan 8.310 nan 0.000 0.488 275 A N 1.547 124.426 122.820 0.098 0.000 1.930 275 A HA 0.266 4.586 4.320 0.000 0.000 0.215 275 A C 2.177 179.900 177.584 0.231 0.000 1.176 275 A CA 1.141 53.276 52.037 0.164 0.000 0.632 275 A CB -0.720 18.405 19.000 0.208 0.000 0.819 275 A HN 0.549 nan 8.150 nan 0.000 0.445 276 L N -0.045 121.327 121.223 0.249 0.000 2.056 276 L HA -0.077 4.263 4.340 0.000 0.000 0.207 276 L C 2.416 179.479 176.870 0.322 0.000 1.078 276 L CA 2.215 57.237 54.840 0.303 0.000 0.749 276 L CB -0.458 41.781 42.059 0.300 0.000 0.901 276 L HN 0.414 nan 8.230 nan 0.000 0.433 277 R N 0.257 120.908 120.500 0.251 0.000 2.092 277 R HA -0.163 4.177 4.340 0.000 0.000 0.231 277 R C 2.130 178.643 176.300 0.355 0.000 1.119 277 R CA 1.724 58.047 56.100 0.371 0.000 0.970 277 R CB -0.281 30.045 30.300 0.043 0.000 0.864 277 R HN 0.439 nan 8.270 nan 0.000 0.440 278 K N -0.586 119.951 120.400 0.228 0.000 2.097 278 K HA -0.171 4.149 4.320 0.000 0.000 0.205 278 K C 2.043 178.750 176.600 0.179 0.000 1.050 278 K CA 1.433 57.829 56.287 0.182 0.000 0.938 278 K CB -0.332 32.252 32.500 0.140 0.000 0.718 278 K HN 0.159 nan 8.250 nan 0.000 0.442 279 Y N 1.329 121.673 120.300 0.074 0.000 2.163 279 Y HA -0.214 4.336 4.550 0.000 0.000 0.288 279 Y C 1.925 177.777 175.900 -0.080 0.000 1.136 279 Y CA 1.047 59.165 58.100 0.031 0.000 1.147 279 Y CB -0.235 38.248 38.460 0.039 0.000 0.987 279 Y HN -0.259 nan 8.280 nan 0.000 0.509 280 V N 0.514 120.303 119.914 -0.209 0.000 2.358 280 V HA -0.292 3.828 4.120 0.000 0.000 0.246 280 V C 1.905 177.484 176.094 -0.858 0.000 1.047 280 V CA 2.213 64.114 62.300 -0.664 0.000 1.035 280 V CB -0.793 30.438 31.823 -0.987 0.000 0.658 280 V HN 0.419 nan 8.190 nan 0.000 0.452 281 N N -0.987 117.444 118.700 -0.448 0.000 2.188 281 N HA -0.200 4.540 4.740 0.000 0.000 0.184 281 N C 1.872 177.298 175.510 -0.139 0.000 1.018 281 N CA 1.254 54.164 53.050 -0.232 0.000 0.858 281 N CB -0.135 38.456 38.487 0.173 0.000 0.989 281 N HN 0.595 nan 8.380 nan 0.000 0.426 282 H N 0.758 119.707 119.070 -0.203 0.000 2.261 282 H HA 0.095 4.651 4.556 0.000 0.000 0.301 282 H C 1.469 176.674 175.328 -0.206 0.000 1.067 282 H CA 1.926 57.888 56.048 -0.142 0.000 1.297 282 H CB -0.188 29.523 29.762 -0.085 0.000 1.377 282 H HN 0.252 nan 8.280 nan 0.000 0.492 283 N N -0.054 118.413 118.700 -0.389 0.000 2.188 283 N HA -0.061 4.679 4.740 0.000 0.000 0.184 283 N C -0.299 174.981 175.510 -0.385 0.000 1.018 283 N CA 0.829 53.620 53.050 -0.432 0.000 0.858 283 N CB 0.278 38.454 38.487 -0.517 0.000 0.989 283 N HN 0.192 nan 8.380 nan 0.000 0.426 284 R N -0.512 119.675 120.500 -0.521 0.000 2.883 284 R HA -0.061 4.279 4.340 0.000 0.000 0.272 284 R C -0.803 175.182 176.300 -0.525 0.000 1.043 284 R CA -0.100 55.665 56.100 -0.559 0.000 0.665 284 R CB -1.871 28.381 30.300 -0.080 0.000 1.382 284 R HN 0.138 nan 8.270 nan 0.000 0.376 285 L N -0.380 120.398 121.223 -0.742 0.000 2.700 285 L HA 0.222 4.562 4.340 0.000 0.000 0.234 285 L C 1.396 178.091 176.870 -0.292 0.000 1.156 285 L CA -0.239 54.366 54.840 -0.392 0.000 0.946 285 L CB -0.219 41.642 42.059 -0.330 0.000 1.216 285 L HN 0.294 nan 8.230 nan 0.000 0.493 286 Y N 0.293 120.403 120.300 -0.317 0.000 2.136 286 Y HA -0.410 4.140 4.550 0.000 0.000 0.271 286 Y C 2.322 178.257 175.900 0.058 0.000 1.252 286 Y CA 1.759 59.697 58.100 -0.270 0.000 1.117 286 Y CB -0.888 37.402 38.460 -0.283 0.000 0.932 286 Y HN 0.346 nan 8.280 nan 0.000 0.512 287 N N -0.349 118.494 118.700 0.238 0.000 2.270 287 N HA -0.122 4.618 4.740 0.000 0.000 0.181 287 N C 1.649 177.351 175.510 0.321 0.000 1.016 287 N CA 1.322 54.572 53.050 0.333 0.000 0.870 287 N CB -0.351 38.296 38.487 0.267 0.000 0.979 287 N HN 0.571 nan 8.380 nan 0.000 0.431 288 Q N -0.987 118.925 119.800 0.186 0.000 2.187 288 Q HA -0.006 4.334 4.340 0.000 0.000 0.199 288 Q C 1.530 177.626 176.000 0.160 0.000 0.957 288 Q CA 0.589 56.470 55.803 0.129 0.000 0.857 288 Q CB -0.083 28.740 28.738 0.142 0.000 0.929 288 Q HN 0.371 nan 8.270 nan 0.000 0.453 289 F N 0.239 120.232 119.950 0.072 0.000 2.206 289 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 289 F C 2.131 178.032 175.800 0.168 0.000 1.090 289 F CA 1.003 59.071 58.000 0.112 0.000 1.323 289 F CB -0.226 38.829 39.000 0.092 0.000 1.028 289 F HN 0.072 nan 8.300 nan 0.000 0.492 290 Y N 1.116 121.571 120.300 0.258 0.000 2.151 290 Y HA -0.321 4.229 4.550 0.000 0.000 0.284 290 Y C 2.724 178.589 175.900 -0.059 0.000 1.166 290 Y CA 2.493 60.691 58.100 0.163 0.000 1.163 290 Y CB -0.842 37.779 38.460 0.267 0.000 0.974 290 Y HN 0.205 nan 8.280 nan 0.000 0.511 291 T N -1.558 112.807 114.554 -0.315 0.000 2.904 291 T HA -0.021 4.329 4.350 0.000 0.000 0.267 291 T C 1.989 176.467 174.700 -0.370 0.000 1.059 291 T CA 0.993 62.814 62.100 -0.465 0.000 1.137 291 T CB -0.773 67.919 68.868 -0.294 0.000 0.879 291 T HN 0.419 nan 8.240 nan 0.000 0.467 292 A N 1.703 124.340 122.820 -0.304 0.000 1.898 292 A HA 0.401 4.721 4.320 0.000 0.000 0.216 292 A C 2.780 180.146 177.584 -0.362 0.000 1.181 292 A CA 1.738 53.607 52.037 -0.279 0.000 0.620 292 A CB -1.346 17.522 19.000 -0.220 0.000 0.819 292 A HN 0.798 nan 8.150 nan 0.000 0.442 293 A N -1.284 121.199 122.820 -0.563 0.000 2.066 293 A HA -0.064 4.256 4.320 0.000 0.000 0.218 293 A C 2.072 179.479 177.584 -0.295 0.000 1.157 293 A CA 1.764 53.530 52.037 -0.452 0.000 0.670 293 A CB -0.349 18.321 19.000 -0.551 0.000 0.804 293 A HN 0.561 nan 8.150 nan 0.000 0.453 294 Q N -0.704 118.869 119.800 -0.378 0.000 2.049 294 Q HA -0.047 4.293 4.340 0.000 0.000 0.198 294 Q C 1.849 177.745 176.000 -0.173 0.000 0.971 294 Q CA 1.184 56.802 55.803 -0.309 0.000 0.833 294 Q CB -0.182 28.252 28.738 -0.506 0.000 0.896 294 Q HN 0.443 nan 8.270 nan 0.000 0.434 295 L N 0.066 121.163 121.223 -0.209 0.000 2.027 295 L HA -0.114 4.226 4.340 0.000 0.000 0.206 295 L C 2.213 178.992 176.870 -0.151 0.000 1.074 295 L CA 1.279 56.014 54.840 -0.174 0.000 0.745 295 L CB -1.393 40.538 42.059 -0.212 0.000 0.898 295 L HN 0.372 nan 8.230 nan 0.000 0.433 296 L N -0.010 121.127 121.223 -0.144 0.000 2.191 296 L HA -0.081 4.259 4.340 0.000 0.000 0.212 296 L C 2.437 179.270 176.870 -0.062 0.000 1.103 296 L CA 1.717 56.492 54.840 -0.107 0.000 0.769 296 L CB -0.587 41.432 42.059 -0.066 0.000 0.908 296 L HN 0.170 nan 8.230 nan 0.000 0.438 297 A N -1.299 121.508 122.820 -0.023 0.000 1.898 297 A HA -0.162 4.158 4.320 0.000 0.000 0.214 297 A C 2.157 179.768 177.584 0.046 0.000 1.183 297 A CA 1.250 53.326 52.037 0.064 0.000 0.622 297 A CB -0.421 18.711 19.000 0.220 0.000 0.824 297 A HN 0.588 nan 8.150 nan 0.000 0.444 298 Q N -0.633 119.179 119.800 0.019 0.000 2.224 298 Q HA -0.115 4.225 4.340 0.000 0.000 0.203 298 Q C 1.757 177.773 176.000 0.026 0.000 0.970 298 Q CA 1.575 57.382 55.803 0.006 0.000 0.865 298 Q CB -0.342 28.391 28.738 -0.008 0.000 0.922 298 Q HN 0.937 nan 8.270 nan 0.000 0.445 299 I N -3.713 116.846 120.570 -0.018 0.000 3.860 299 I HA 0.063 4.233 4.170 0.000 0.000 0.319 299 I C 1.819 177.940 176.117 0.007 0.000 1.279 299 I CA 0.275 61.556 61.300 -0.031 0.000 1.220 299 I CB -0.128 37.792 38.000 -0.133 0.000 1.027 299 I HN 0.021 nan 8.210 nan 0.000 0.428 300 M N 1.129 120.744 119.600 0.024 0.000 3.554 300 M HA -0.147 4.333 4.480 0.000 0.000 0.291 300 M C 1.007 177.371 176.300 0.106 0.000 1.046 300 M CA 2.212 57.547 55.300 0.058 0.000 1.059 300 M CB -0.032 32.611 32.600 0.071 0.000 1.183 300 M HN 0.491 nan 8.290 nan 0.000 0.607 301 M N 0.262 119.950 119.600 0.147 0.000 2.572 301 M HA 0.442 4.922 4.480 0.000 0.000 0.299 301 M C -1.755 174.669 176.300 0.206 0.000 1.205 301 M CA -0.529 54.883 55.300 0.186 0.000 0.876 301 M CB 1.944 34.719 32.600 0.292 0.000 1.728 301 M HN 0.158 nan 8.290 nan 0.000 0.458 302 K N 2.263 122.757 120.400 0.158 0.000 2.156 302 K HA 0.696 5.016 4.320 0.000 0.000 0.250 302 K C -2.588 174.053 176.600 0.068 0.000 0.955 302 K CA -1.658 54.721 56.287 0.153 0.000 0.855 302 K CB 1.824 34.328 32.500 0.007 0.000 1.101 302 K HN 0.431 nan 8.250 nan 0.000 0.434 303 P HA 0.081 nan 4.420 nan 0.000 0.287 303 P C -0.492 176.576 177.300 -0.387 0.000 1.307 303 P CA -0.460 62.290 63.100 -0.584 0.000 0.777 303 P CB 0.670 32.062 31.700 -0.513 0.000 0.883 304 V N 7.220 126.860 119.914 -0.457 0.000 2.475 304 V HA 0.002 4.122 4.120 0.000 0.000 0.292 304 V C -1.729 174.234 176.094 -0.219 0.000 1.003 304 V CA -0.836 61.292 62.300 -0.286 0.000 1.120 304 V CB -0.496 31.211 31.823 -0.194 0.000 0.937 304 V HN 0.519 nan 8.190 nan 0.000 0.476 305 P HA 0.027 nan 4.420 nan 0.000 0.261 305 P C 0.429 177.816 177.300 0.144 0.000 1.203 305 P CA 0.197 63.222 63.100 -0.126 0.000 0.767 305 P CB 0.165 31.658 31.700 -0.345 0.000 0.785 306 N N 2.487 121.304 118.700 0.194 0.000 2.396 306 N HA -0.093 4.647 4.740 0.000 0.000 0.180 306 N C 0.079 175.958 175.510 0.616 0.000 1.028 306 N CA 0.324 53.604 53.050 0.382 0.000 0.893 306 N CB -0.342 38.359 38.487 0.357 0.000 0.967 306 N HN 0.415 nan 8.380 nan 0.000 0.440 307 C N -2.986 116.526 119.300 0.353 0.000 2.529 307 C HA 0.914 5.374 4.460 0.000 0.000 0.329 307 C C 1.644 176.331 174.990 -0.504 0.000 1.194 307 C CA -0.720 58.361 59.018 0.104 0.000 1.779 307 C CB 1.001 28.710 27.740 -0.051 0.000 2.322 307 C HN 0.301 nan 8.230 nan 0.000 0.500 308 A N 0.471 122.581 122.820 -1.184 0.000 1.969 308 A HA -0.025 4.295 4.320 0.000 0.000 0.218 308 A C 1.780 179.065 177.584 -0.499 0.000 1.169 308 A CA 1.693 53.055 52.037 -1.124 0.000 0.635 308 A CB -0.583 17.793 19.000 -1.041 0.000 0.810 308 A HN 0.967 nan 8.150 nan 0.000 0.445 309 E N -0.162 119.768 120.200 -0.450 0.000 2.338 309 E HA 0.011 4.361 4.350 0.000 0.000 0.197 309 E C 1.553 178.046 176.600 -0.179 0.000 1.007 309 E CA 0.882 57.105 56.400 -0.294 0.000 0.849 309 E CB -0.344 29.198 29.700 -0.263 0.000 0.774 309 E HN 0.519 nan 8.360 nan 0.000 0.506 310 G N -1.236 107.465 108.800 -0.165 0.000 3.337 310 G HA2 -0.060 3.900 3.960 0.000 0.000 0.246 310 G HA3 -0.060 3.900 3.960 0.000 0.000 0.246 310 G C 0.533 175.431 174.900 -0.003 0.000 1.131 310 G CA -0.333 44.714 45.100 -0.089 0.000 0.773 310 G HN 0.148 nan 8.290 nan 0.000 0.544 311 Y N 1.019 121.230 120.300 -0.149 0.000 2.475 311 Y HA 0.196 4.746 4.550 0.000 0.000 0.289 311 Y C 2.761 178.639 175.900 -0.037 0.000 1.121 311 Y CA 0.618 58.659 58.100 -0.099 0.000 1.257 311 Y CB 0.351 38.706 38.460 -0.174 0.000 1.026 311 Y HN 0.265 nan 8.280 nan 0.000 0.555 312 A N 0.250 123.133 122.820 0.105 0.000 2.070 312 A HA -0.217 4.103 4.320 0.000 0.000 0.220 312 A C 2.073 179.773 177.584 0.195 0.000 1.159 312 A CA 1.358 53.453 52.037 0.097 0.000 0.656 312 A CB -1.217 17.829 19.000 0.078 0.000 0.800 312 A HN 0.818 nan 8.150 nan 0.000 0.453 313 W N -0.032 121.270 121.300 0.004 0.000 2.436 313 W HA -0.070 4.590 4.660 0.000 0.000 0.284 313 W C 1.235 177.759 176.519 0.009 0.000 1.225 313 W CA 0.785 58.135 57.345 0.008 0.000 1.271 313 W CB -0.302 29.083 29.460 -0.125 0.000 1.114 313 W HN 0.239 nan 8.180 nan 0.000 0.559 314 L N 2.434 123.464 121.223 -0.323 0.000 2.083 314 L HA -0.254 4.086 4.340 0.000 0.000 0.209 314 L C 2.619 179.298 176.870 -0.319 0.000 1.083 314 L CA 2.230 56.789 54.840 -0.468 0.000 0.752 314 L CB -0.943 40.906 42.059 -0.349 0.000 0.899 314 L HN 0.173 nan 8.230 nan 0.000 0.433 315 M N -2.097 117.391 119.600 -0.187 0.000 2.460 315 M HA -0.103 4.377 4.480 0.000 0.000 0.263 315 M C 0.247 176.435 176.300 -0.187 0.000 1.071 315 M CA 0.754 55.953 55.300 -0.168 0.000 1.096 315 M CB -1.337 31.165 32.600 -0.163 0.000 1.408 315 M HN 0.115 nan 8.290 nan 0.000 0.463 316 H N 2.930 121.900 119.070 -0.167 0.000 2.955 316 H HA 0.171 4.727 4.556 0.000 0.000 0.290 316 H C -1.049 174.302 175.328 0.037 0.000 1.047 316 H CA 0.214 56.240 56.048 -0.036 0.000 1.484 316 H CB 0.108 29.865 29.762 -0.008 0.000 1.501 316 H HN 0.290 nan 8.280 nan 0.000 0.521 317 D N 2.702 123.161 120.400 0.098 0.000 2.396 317 D HA 0.347 4.987 4.640 0.000 0.000 0.225 317 D C -0.255 175.942 176.300 -0.171 0.000 1.121 317 D CA -0.600 53.386 54.000 -0.024 0.000 0.853 317 D CB 1.150 41.916 40.800 -0.057 0.000 1.043 317 D HN 0.602 nan 8.370 nan 0.000 0.500 318 A N 2.660 125.164 122.820 -0.526 0.000 2.524 318 A HA 0.182 4.502 4.320 0.000 0.000 0.250 318 A C 0.206 177.523 177.584 -0.445 0.000 1.078 318 A CA -0.439 51.013 52.037 -0.975 0.000 0.761 318 A CB -0.007 18.171 19.000 -1.369 0.000 1.012 318 A HN 0.772 nan 8.150 nan 0.000 0.500 319 L N 4.902 125.928 121.223 -0.329 0.000 2.369 319 L HA 0.527 4.867 4.340 0.000 0.000 0.279 319 L C -0.120 176.666 176.870 -0.140 0.000 1.108 319 L CA -0.306 54.422 54.840 -0.188 0.000 0.852 319 L CB 0.760 42.752 42.059 -0.111 0.000 1.169 319 L HN 0.578 nan 8.230 nan 0.000 0.452 320 V N 5.289 125.072 119.914 -0.219 0.000 2.547 320 V HA 0.539 4.659 4.120 0.000 0.000 0.299 320 V C -0.757 175.094 176.094 -0.405 0.000 1.040 320 V CA -0.531 61.604 62.300 -0.275 0.000 0.913 320 V CB 1.827 33.420 31.823 -0.383 0.000 0.992 320 V HN 0.948 nan 8.190 nan 0.000 0.449 321 N N 5.643 123.998 118.700 -0.575 0.000 2.626 321 N HA 0.471 5.211 4.740 0.000 0.000 0.249 321 N C -0.955 174.216 175.510 -0.566 0.000 1.021 321 N CA -0.351 52.294 53.050 -0.675 0.000 0.886 321 N CB 0.613 38.491 38.487 -1.014 0.000 1.149 321 N HN 0.738 nan 8.380 nan 0.000 0.517 322 I N 3.696 123.983 120.570 -0.472 0.000 2.396 322 I HA 0.383 4.553 4.170 0.000 0.000 0.292 322 I C -1.801 174.315 176.117 -0.002 0.000 0.999 322 I CA -2.070 59.103 61.300 -0.211 0.000 1.310 322 I CB 1.615 39.574 38.000 -0.069 0.000 1.404 322 I HN 0.282 nan 8.210 nan 0.000 0.496 323 P HA 0.127 nan 4.420 nan 0.000 0.272 323 P C -0.732 176.725 177.300 0.261 0.000 1.230 323 P CA -0.442 62.744 63.100 0.143 0.000 0.788 323 P CB 0.645 32.435 31.700 0.150 0.000 0.949 324 K N 0.369 120.925 120.400 0.260 0.000 2.234 324 K HA 0.154 4.474 4.320 0.000 0.000 0.251 324 K C 0.021 176.832 176.600 0.352 0.000 1.011 324 K CA 0.006 56.443 56.287 0.251 0.000 0.889 324 K CB 0.011 32.581 32.500 0.117 0.000 1.011 324 K HN 0.371 nan 8.250 nan 0.000 0.505 325 F N 0.600 120.611 119.950 0.102 0.000 2.410 325 F HA 0.443 4.970 4.527 -0.000 0.000 0.349 325 F C 0.064 175.916 175.800 0.088 0.000 1.117 325 F CA -0.546 57.468 58.000 0.022 0.000 1.104 325 F CB 0.943 39.895 39.000 -0.081 0.000 1.122 325 F HN 0.426 nan 8.300 nan 0.000 0.483 326 G N 3.430 111.769 108.800 -0.768 0.000 2.687 326 G HA2 0.480 4.440 3.960 0.000 0.000 0.301 326 G HA3 0.480 4.440 3.960 0.000 0.000 0.301 326 G C -1.805 172.431 174.900 -1.107 0.000 1.416 326 G CA -0.731 43.927 45.100 -0.737 0.000 1.005 326 G HN 0.731 nan 8.290 nan 0.000 0.509 327 S N 0.635 115.840 115.700 -0.824 0.000 2.482 327 S HA 0.771 5.241 4.470 0.000 0.000 0.303 327 S C -0.976 173.574 174.600 -0.084 0.000 1.091 327 S CA -0.508 57.431 58.200 -0.435 0.000 1.057 327 S CB 1.058 64.131 63.200 -0.211 0.000 1.031 327 S HN 0.487 nan 8.310 nan 0.000 0.485 328 I N 4.268 124.899 120.570 0.103 0.000 2.605 328 I HA 0.481 4.651 4.170 0.000 0.000 0.276 328 I C 0.119 176.354 176.117 0.195 0.000 1.161 328 I CA 0.259 61.666 61.300 0.178 0.000 1.064 328 I CB 1.134 39.284 38.000 0.249 0.000 1.238 328 I HN 0.839 nan 8.210 nan 0.000 0.487 329 R N 2.411 123.014 120.500 0.173 0.000 2.119 329 R HA 0.173 4.513 4.340 0.000 0.000 0.121 329 R C 1.120 177.489 176.300 0.115 0.000 0.669 329 R CA 0.504 56.659 56.100 0.093 0.000 1.447 329 R CB 0.496 30.803 30.300 0.012 0.000 1.293 329 R HN 0.530 nan 8.270 nan 0.000 0.471 330 G N -0.388 108.516 108.800 0.173 0.000 3.228 330 G HA2 0.062 4.022 3.960 0.000 0.000 0.245 330 G HA3 0.062 4.022 3.960 0.000 0.000 0.245 330 G C 0.919 175.838 174.900 0.033 0.000 1.051 330 G CA -0.250 44.961 45.100 0.186 0.000 0.809 330 G HN -0.047 nan 8.290 nan 0.000 0.531 331 R N -0.812 119.640 120.500 -0.080 0.000 2.081 331 R HA 0.040 4.380 4.340 0.000 0.000 0.235 331 R C -0.277 175.516 176.300 -0.845 0.000 1.131 331 R CA 1.096 56.831 56.100 -0.609 0.000 0.960 331 R CB -0.053 29.935 30.300 -0.520 0.000 0.856 331 R HN 0.441 nan 8.270 nan 0.000 0.436 332 Y N -2.988 117.355 120.300 0.071 0.000 2.581 332 Y HA 0.260 4.810 4.550 0.000 0.000 0.337 332 Y C -2.074 173.909 175.900 0.138 0.000 1.108 332 Y CA -2.504 55.700 58.100 0.174 0.000 1.033 332 Y CB 1.364 40.083 38.460 0.431 0.000 1.318 332 Y HN -0.172 nan 8.280 nan 0.000 0.459 333 P HA -0.071 nan 4.420 nan 0.000 0.220 333 P C 1.299 178.743 177.300 0.241 0.000 1.152 333 P CA 1.092 64.342 63.100 0.250 0.000 0.812 333 P CB -0.023 31.812 31.700 0.225 0.000 0.792 334 F N -1.542 118.466 119.950 0.096 0.000 2.641 334 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 334 F C 1.345 177.179 175.800 0.056 0.000 1.146 334 F CA 0.294 58.338 58.000 0.072 0.000 1.464 334 F CB -1.135 37.893 39.000 0.048 0.000 1.101 334 F HN -0.261 nan 8.300 nan 0.000 0.585 335 L N 0.902 121.822 121.223 -0.504 0.000 2.109 335 L HA -0.033 4.307 4.340 0.000 0.000 0.207 335 L C 1.970 178.737 176.870 -0.173 0.000 1.086 335 L CA 1.347 55.875 54.840 -0.521 0.000 0.760 335 L CB -0.725 41.130 42.059 -0.339 0.000 0.910 335 L HN 0.317 nan 8.230 nan 0.000 0.437 336 L N -1.635 119.525 121.223 -0.106 0.000 2.611 336 L HA 0.111 4.451 4.340 0.000 0.000 0.229 336 L C 0.595 177.434 176.870 -0.052 0.000 1.137 336 L CA -0.182 54.592 54.840 -0.111 0.000 0.901 336 L CB -0.310 41.612 42.059 -0.227 0.000 1.098 336 L HN 0.014 nan 8.230 nan 0.000 0.456 337 S N 0.449 116.165 115.700 0.027 0.000 2.523 337 S HA 0.602 5.072 4.470 0.000 0.000 0.275 337 S C 0.640 175.270 174.600 0.051 0.000 1.281 337 S CA 0.301 58.539 58.200 0.063 0.000 1.050 337 S CB 1.304 64.584 63.200 0.133 0.000 0.937 337 S HN 0.567 nan 8.310 nan 0.000 0.492 338 G N 3.719 112.532 108.800 0.022 0.000 2.500 338 G HA2 -0.115 3.845 3.960 0.000 0.000 0.209 338 G HA3 -0.115 3.845 3.960 0.000 0.000 0.209 338 G C -1.689 173.204 174.900 -0.013 0.000 1.283 338 G CA -0.973 44.127 45.100 0.000 0.000 0.960 338 G HN 0.609 nan 8.290 nan 0.000 0.528 339 D N 1.352 121.735 120.400 -0.028 0.000 2.348 339 D HA 0.554 5.194 4.640 0.000 0.000 0.253 339 D C 0.874 177.153 176.300 -0.034 0.000 1.161 339 D CA 1.010 54.989 54.000 -0.034 0.000 0.876 339 D CB 1.320 42.093 40.800 -0.045 0.000 1.160 339 D HN 0.945 nan 8.370 nan 0.000 0.459 340 A N 2.211 125.016 122.820 -0.026 0.000 2.524 340 A HA 0.465 4.785 4.320 0.000 0.000 0.250 340 A C 0.407 177.969 177.584 -0.036 0.000 1.078 340 A CA -0.330 51.699 52.037 -0.014 0.000 0.761 340 A CB -0.006 19.013 19.000 0.032 0.000 1.012 340 A HN 0.615 nan 8.150 nan 0.000 0.500 341 A N 2.620 125.421 122.820 -0.032 0.000 2.316 341 A HA 0.591 4.911 4.320 0.000 0.000 0.284 341 A C 0.521 178.078 177.584 -0.045 0.000 1.115 341 A CA -0.531 51.480 52.037 -0.044 0.000 0.812 341 A CB -0.157 18.818 19.000 -0.041 0.000 1.064 341 A HN 1.696 nan 8.150 nan 0.000 0.489 342 L N 1.422 122.607 121.223 -0.065 0.000 3.844 342 L HA -0.175 4.165 4.340 0.000 0.000 0.580 342 L C -0.803 176.005 176.870 -0.103 0.000 1.156 342 L CA -0.059 54.730 54.840 -0.084 0.000 0.848 342 L CB -1.779 40.244 42.059 -0.060 0.000 1.283 342 L HN 0.435 nan 8.230 nan 0.000 0.803 343 I N 1.335 121.826 120.570 -0.132 0.000 2.389 343 I HA 0.282 4.452 4.170 0.000 0.000 0.288 343 I C 0.727 176.704 176.117 -0.233 0.000 0.999 343 I CA -0.538 60.672 61.300 -0.149 0.000 1.129 343 I CB 1.545 39.461 38.000 -0.140 0.000 1.288 343 I HN 0.326 nan 8.210 nan 0.000 0.444 344 Q N 3.668 123.266 119.800 -0.337 0.000 2.315 344 Q HA 0.104 4.444 4.340 0.000 0.000 0.289 344 Q C 1.065 176.902 176.000 -0.271 0.000 1.044 344 Q CA 0.059 55.592 55.803 -0.449 0.000 0.920 344 Q CB 1.008 29.250 28.738 -0.826 0.000 1.214 344 Q HN 0.784 nan 8.270 nan 0.000 0.392 345 A N 3.154 125.838 122.820 -0.227 0.000 2.015 345 A HA -0.133 4.187 4.320 0.000 0.000 0.219 345 A C 1.794 179.312 177.584 -0.110 0.000 1.163 345 A CA 1.833 53.784 52.037 -0.143 0.000 0.646 345 A CB -0.086 18.846 19.000 -0.113 0.000 0.806 345 A HN 0.754 nan 8.150 nan 0.000 0.448 346 T N -0.025 114.441 114.554 -0.147 0.000 2.851 346 T HA 0.142 4.492 4.350 0.000 0.000 0.262 346 T C 2.215 176.835 174.700 -0.134 0.000 1.043 346 T CA 1.065 63.091 62.100 -0.122 0.000 1.140 346 T CB -0.402 68.376 68.868 -0.150 0.000 0.872 346 T HN 0.526 nan 8.240 nan 0.000 0.446 347 A N 1.402 124.102 122.820 -0.201 0.000 2.019 347 A HA 0.051 4.371 4.320 0.000 0.000 0.219 347 A C 2.207 179.900 177.584 0.182 0.000 1.164 347 A CA 0.847 52.877 52.037 -0.012 0.000 0.644 347 A CB -0.621 18.435 19.000 0.094 0.000 0.805 347 A HN 0.340 nan 8.150 nan 0.000 0.449 348 L N -0.310 120.950 121.223 0.063 0.000 2.162 348 L HA -0.008 4.332 4.340 0.000 0.000 0.205 348 L C 2.147 179.104 176.870 0.145 0.000 1.086 348 L CA 1.740 56.630 54.840 0.084 0.000 0.778 348 L CB -1.193 40.819 42.059 -0.078 0.000 0.928 348 L HN 0.503 nan 8.230 nan 0.000 0.446 349 E N -0.231 120.020 120.200 0.085 0.000 2.058 349 E HA -0.233 4.117 4.350 0.000 0.000 0.194 349 E C 1.619 178.300 176.600 0.135 0.000 0.997 349 E CA 1.553 58.005 56.400 0.086 0.000 0.801 349 E CB 0.126 29.860 29.700 0.057 0.000 0.746 349 E HN 0.506 nan 8.360 nan 0.000 0.450 350 D N 0.067 120.584 120.400 0.195 0.000 2.117 350 D HA -0.173 4.467 4.640 0.000 0.000 0.198 350 D C 1.574 178.058 176.300 0.307 0.000 0.982 350 D CA 0.581 54.731 54.000 0.251 0.000 0.828 350 D CB -0.576 40.435 40.800 0.352 0.000 0.967 350 D HN 0.377 nan 8.370 nan 0.000 0.464 351 W N 1.636 123.056 121.300 0.199 0.000 2.358 351 W HA -0.180 4.480 4.660 -0.000 0.000 0.303 351 W C 2.082 178.637 176.519 0.060 0.000 1.208 351 W CA 1.400 58.828 57.345 0.137 0.000 1.274 351 W CB -0.175 29.390 29.460 0.175 0.000 1.138 351 W HN -0.084 nan 8.180 nan 0.000 0.515 352 S N 0.286 116.009 115.700 0.038 0.000 2.428 352 S HA -0.023 4.447 4.470 0.000 0.000 0.230 352 S C 1.917 176.458 174.600 -0.098 0.000 1.014 352 S CA 1.301 59.446 58.200 -0.091 0.000 0.957 352 S CB -0.355 62.867 63.200 0.036 0.000 0.784 352 S HN 0.322 nan 8.310 nan 0.000 0.499 353 A N 0.839 123.646 122.820 -0.022 0.000 1.861 353 A HA 0.180 4.500 4.320 0.000 0.000 0.212 353 A C 1.883 179.449 177.584 -0.031 0.000 1.199 353 A CA 0.872 52.908 52.037 -0.001 0.000 0.613 353 A CB -0.587 18.446 19.000 0.055 0.000 0.846 353 A HN 0.503 nan 8.150 nan 0.000 0.446 354 I N -1.059 119.501 120.570 -0.017 0.000 2.546 354 I HA -0.149 4.021 4.170 0.000 0.000 0.255 354 I C 2.391 178.407 176.117 -0.168 0.000 1.163 354 I CA 0.957 62.250 61.300 -0.011 0.000 1.457 354 I CB -0.164 37.923 38.000 0.144 0.000 1.092 354 I HN 0.245 nan 8.210 nan 0.000 0.434 355 M N 0.211 119.576 119.600 -0.391 0.000 2.132 355 M HA -0.060 4.420 4.480 0.000 0.000 0.263 355 M C 2.228 178.346 176.300 -0.304 0.000 1.065 355 M CA 1.860 56.828 55.300 -0.553 0.000 1.122 355 M CB -0.581 31.434 32.600 -0.974 0.000 1.365 355 M HN 0.247 nan 8.290 nan 0.000 0.411 356 A N -1.282 121.412 122.820 -0.211 0.000 1.935 356 A HA 0.030 4.350 4.320 0.000 0.000 0.214 356 A C 0.933 178.476 177.584 -0.070 0.000 1.178 356 A CA 0.941 52.910 52.037 -0.113 0.000 0.640 356 A CB 0.017 18.977 19.000 -0.067 0.000 0.825 356 A HN 0.220 nan 8.150 nan 0.000 0.447 357 K N -0.165 120.201 120.400 -0.056 0.000 2.562 357 K HA 0.309 4.629 4.320 0.000 0.000 0.206 357 K C -2.553 174.052 176.600 0.010 0.000 1.033 357 K CA -1.931 54.348 56.287 -0.013 0.000 1.029 357 K CB 1.300 33.803 32.500 0.006 0.000 1.393 357 K HN 0.097 nan 8.250 nan 0.000 0.539 358 P HA -0.100 nan 4.420 nan 0.000 0.225 358 P C 0.526 177.906 177.300 0.132 0.000 1.148 358 P CA 0.922 64.037 63.100 0.025 0.000 0.779 358 P CB 0.519 32.185 31.700 -0.057 0.000 0.780 359 E N -0.275 120.002 120.200 0.129 0.000 2.118 359 E HA -0.180 4.170 4.350 0.000 0.000 0.195 359 E C 1.819 178.583 176.600 0.274 0.000 0.992 359 E CA 0.700 57.219 56.400 0.199 0.000 0.804 359 E CB -1.230 28.553 29.700 0.139 0.000 0.741 359 E HN 0.149 nan 8.360 nan 0.000 0.458 360 L N 0.624 121.964 121.223 0.196 0.000 1.997 360 L HA -0.245 4.095 4.340 0.000 0.000 0.216 360 L C 2.065 179.091 176.870 0.260 0.000 1.074 360 L CA 1.680 56.642 54.840 0.202 0.000 0.763 360 L CB -0.667 41.476 42.059 0.140 0.000 0.890 360 L HN 0.057 nan 8.230 nan 0.000 0.434 361 V N -0.297 119.770 119.914 0.255 0.000 2.370 361 V HA -0.347 3.773 4.120 0.000 0.000 0.252 361 V C 2.330 178.637 176.094 0.355 0.000 1.068 361 V CA 2.359 64.823 62.300 0.274 0.000 1.061 361 V CB -1.124 30.873 31.823 0.290 0.000 0.656 361 V HN 0.658 nan 8.190 nan 0.000 0.455 362 F N 1.783 121.884 119.950 0.251 0.000 2.187 362 F HA -0.139 4.388 4.527 0.000 0.000 0.295 362 F C 2.695 178.581 175.800 0.143 0.000 1.091 362 F CA 1.938 60.050 58.000 0.187 0.000 1.308 362 F CB -0.723 38.387 39.000 0.183 0.000 1.030 362 F HN 0.231 nan 8.300 nan 0.000 0.487 363 T N -1.509 113.033 114.554 -0.019 0.000 2.867 363 T HA -0.264 4.086 4.350 0.000 0.000 0.268 363 T C 1.954 176.649 174.700 -0.009 0.000 1.057 363 T CA 1.555 63.583 62.100 -0.119 0.000 1.136 363 T CB -1.249 67.728 68.868 0.181 0.000 0.874 363 T HN 0.567 nan 8.240 nan 0.000 0.466 364 Y N 1.880 122.189 120.300 0.015 0.000 2.220 364 Y HA 0.255 4.805 4.550 -0.000 0.000 0.291 364 Y C 2.668 178.588 175.900 0.033 0.000 1.129 364 Y CA 0.926 59.081 58.100 0.092 0.000 1.161 364 Y CB -0.772 37.765 38.460 0.128 0.000 0.997 364 Y HN 0.284 nan 8.280 nan 0.000 0.522 365 A N 0.928 123.780 122.820 0.054 0.000 2.019 365 A HA -0.188 4.132 4.320 0.000 0.000 0.219 365 A C 2.421 179.927 177.584 -0.131 0.000 1.164 365 A CA 1.686 53.690 52.037 -0.054 0.000 0.644 365 A CB -0.896 18.133 19.000 0.048 0.000 0.805 365 A HN 0.715 nan 8.150 nan 0.000 0.449 366 M N -0.764 118.686 119.600 -0.249 0.000 2.200 366 M HA -0.178 4.302 4.480 0.000 0.000 0.265 366 M C 2.024 178.253 176.300 -0.119 0.000 1.066 366 M CA 1.784 56.899 55.300 -0.308 0.000 1.127 366 M CB -0.268 31.934 32.600 -0.662 0.000 1.379 366 M HN 0.507 nan 8.290 nan 0.000 0.420 367 Q N -0.348 119.393 119.800 -0.098 0.000 2.123 367 Q HA -0.099 4.241 4.340 0.000 0.000 0.199 367 Q C 2.024 178.034 176.000 0.016 0.000 0.966 367 Q CA 1.533 57.338 55.803 0.004 0.000 0.845 367 Q CB -0.099 28.671 28.738 0.053 0.000 0.907 367 Q HN 0.453 nan 8.270 nan 0.000 0.439 368 V N 1.181 121.031 119.914 -0.107 0.000 2.667 368 V HA -0.213 3.907 4.120 0.000 0.000 0.252 368 V C 2.465 178.542 176.094 -0.029 0.000 1.065 368 V CA 1.821 64.031 62.300 -0.150 0.000 1.083 368 V CB -0.563 31.023 31.823 -0.396 0.000 0.692 368 V HN 0.441 nan 8.190 nan 0.000 0.468 369 S N -0.121 115.611 115.700 0.053 0.000 2.387 369 S HA -0.127 4.343 4.470 0.000 0.000 0.226 369 S C 2.002 176.677 174.600 0.125 0.000 1.026 369 S CA 1.584 59.883 58.200 0.165 0.000 0.972 369 S CB -0.105 63.255 63.200 0.266 0.000 0.814 369 S HN 0.390 nan 8.310 nan 0.000 0.477 370 V N 1.457 121.442 119.914 0.118 0.000 2.535 370 V HA 0.296 4.416 4.120 0.000 0.000 0.246 370 V C 2.634 178.687 176.094 -0.069 0.000 1.045 370 V CA 1.382 63.696 62.300 0.025 0.000 1.058 370 V CB -0.759 31.131 31.823 0.113 0.000 0.689 370 V HN 0.573 nan 8.190 nan 0.000 0.461 371 A N 0.154 122.954 122.820 -0.033 0.000 1.930 371 A HA -0.098 4.222 4.320 0.000 0.000 0.217 371 A C 2.096 179.607 177.584 -0.122 0.000 1.175 371 A CA 2.000 54.000 52.037 -0.062 0.000 0.627 371 A CB -0.642 18.375 19.000 0.029 0.000 0.815 371 A HN 0.647 nan 8.150 nan 0.000 0.443 372 L N 0.736 121.884 121.223 -0.125 0.000 2.072 372 L HA -0.122 4.218 4.340 0.000 0.000 0.205 372 L C 2.072 178.730 176.870 -0.354 0.000 1.079 372 L CA 2.394 57.124 54.840 -0.183 0.000 0.752 372 L CB -0.665 41.343 42.059 -0.084 0.000 0.906 372 L HN 0.564 nan 8.230 nan 0.000 0.436 373 N N -1.401 117.021 118.700 -0.464 0.000 2.188 373 N HA -0.184 4.556 4.740 0.000 0.000 0.184 373 N C 1.431 176.631 175.510 -0.517 0.000 1.018 373 N CA 1.877 54.440 53.050 -0.812 0.000 0.858 373 N CB 0.023 38.014 38.487 -0.827 0.000 0.989 373 N HN 0.428 nan 8.380 nan 0.000 0.426 374 T N -0.641 113.711 114.554 -0.336 0.000 2.937 374 T HA 0.073 4.423 4.350 0.000 0.000 0.260 374 T C 1.696 176.264 174.700 -0.220 0.000 1.051 374 T CA 1.025 62.969 62.100 -0.260 0.000 1.141 374 T CB -0.409 68.303 68.868 -0.260 0.000 0.879 374 T HN 0.440 nan 8.240 nan 0.000 0.459 375 G N 0.738 109.409 108.800 -0.216 0.000 2.534 375 G HA2 -0.037 3.923 3.960 0.000 0.000 0.217 375 G HA3 -0.037 3.923 3.960 0.000 0.000 0.217 375 G C 1.359 176.173 174.900 -0.144 0.000 1.128 375 G CA 0.299 45.303 45.100 -0.161 0.000 0.784 375 G HN 0.318 nan 8.290 nan 0.000 0.542 376 L N -0.803 120.294 121.223 -0.209 0.000 2.131 376 L HA 0.160 4.500 4.340 0.000 0.000 0.206 376 L C 2.365 179.106 176.870 -0.215 0.000 1.087 376 L CA 0.981 55.679 54.840 -0.236 0.000 0.767 376 L CB -0.704 41.158 42.059 -0.328 0.000 0.917 376 L HN 0.412 nan 8.230 nan 0.000 0.441 377 Y N -0.975 119.147 120.300 -0.297 0.000 2.286 377 Y HA -0.118 4.432 4.550 -0.000 0.000 0.293 377 Y C 2.170 177.925 175.900 -0.241 0.000 1.124 377 Y CA 1.297 59.254 58.100 -0.238 0.000 1.178 377 Y CB -0.073 38.257 38.460 -0.217 0.000 1.010 377 Y HN 0.050 nan 8.280 nan 0.000 0.536 378 L N 0.505 121.580 121.223 -0.248 0.000 2.141 378 L HA -0.187 4.152 4.340 0.000 0.000 0.209 378 L C 2.681 179.276 176.870 -0.457 0.000 1.094 378 L CA 1.663 56.288 54.840 -0.358 0.000 0.763 378 L CB -0.477 41.410 42.059 -0.288 0.000 0.908 378 L HN 0.246 nan 8.230 nan 0.000 0.437 379 R N 0.129 120.376 120.500 -0.421 0.000 2.096 379 R HA -0.194 4.146 4.340 0.000 0.000 0.235 379 R C 2.519 178.381 176.300 -0.731 0.000 1.127 379 R CA 1.074 56.857 56.100 -0.529 0.000 0.968 379 R CB -0.300 29.575 30.300 -0.709 0.000 0.861 379 R HN 0.086 nan 8.270 nan 0.000 0.440 380 R N 0.857 121.013 120.500 -0.574 0.000 2.083 380 R HA -0.104 4.236 4.340 0.000 0.000 0.237 380 R C 1.870 177.827 176.300 -0.570 0.000 1.137 380 R CA 2.027 57.892 56.100 -0.391 0.000 0.951 380 R CB -0.623 29.530 30.300 -0.245 0.000 0.851 380 R HN 0.281 nan 8.270 nan 0.000 0.434 381 V N 1.962 121.455 119.914 -0.703 0.000 2.249 381 V HA -0.187 3.933 4.120 0.000 0.000 0.239 381 V C 2.460 178.062 176.094 -0.820 0.000 1.038 381 V CA 1.651 63.456 62.300 -0.824 0.000 1.005 381 V CB -0.546 30.662 31.823 -1.024 0.000 0.646 381 V HN 0.247 nan 8.190 nan 0.000 0.455 382 K N 0.489 120.398 120.400 -0.817 0.000 2.148 382 K HA -0.353 3.967 4.320 0.000 0.000 0.213 382 K C 2.096 177.964 176.600 -1.220 0.000 1.050 382 K CA 2.317 57.972 56.287 -1.053 0.000 0.932 382 K CB -0.440 31.317 32.500 -1.237 0.000 0.717 382 K HN 0.341 nan 8.250 nan 0.000 0.462 383 K N 0.439 120.260 120.400 -0.965 0.000 2.057 383 K HA -0.083 4.237 4.320 0.000 0.000 0.206 383 K C 2.160 178.518 176.600 -0.403 0.000 1.050 383 K CA 1.903 57.821 56.287 -0.615 0.000 0.935 383 K CB -0.413 31.610 32.500 -0.796 0.000 0.715 383 K HN 0.127 nan 8.250 nan 0.000 0.439 384 T N -1.903 112.403 114.554 -0.414 0.000 3.010 384 T HA 0.127 4.477 4.350 0.000 0.000 0.252 384 T C 0.866 175.404 174.700 -0.270 0.000 1.047 384 T CA 1.032 62.987 62.100 -0.242 0.000 1.140 384 T CB -0.382 68.391 68.868 -0.159 0.000 0.885 384 T HN 0.483 nan 8.240 nan 0.000 0.464 385 G N 0.901 109.432 108.800 -0.449 0.000 2.225 385 G HA2 -0.231 3.729 3.960 0.000 0.000 0.264 385 G HA3 -0.231 3.729 3.960 0.000 0.000 0.264 385 G C 0.501 175.272 174.900 -0.215 0.000 1.060 385 G CA -0.011 44.848 45.100 -0.401 0.000 0.833 385 G HN 0.688 nan 8.290 nan 0.000 0.498 386 F N -2.242 117.615 119.950 -0.154 0.000 3.074 386 F HA -0.193 4.334 4.527 -0.000 0.000 0.289 386 F C 1.969 177.719 175.800 -0.084 0.000 0.863 386 F CA 1.638 59.562 58.000 -0.127 0.000 1.121 386 F CB -1.424 37.490 39.000 -0.143 0.000 1.169 386 F HN 1.820 nan 8.300 nan 0.000 0.570 387 G N -0.939 107.875 108.800 0.023 0.000 2.147 387 G HA2 -0.315 3.645 3.960 0.000 0.000 0.244 387 G HA3 -0.315 3.645 3.960 0.000 0.000 0.244 387 G C 0.622 175.533 174.900 0.019 0.000 1.005 387 G CA 0.645 45.758 45.100 0.020 0.000 0.713 387 G HN 0.473 nan 8.290 nan 0.000 0.515 388 T N 0.139 114.701 114.554 0.014 0.000 3.039 388 T HA 0.202 4.552 4.350 0.000 0.000 0.250 388 T C 1.547 176.243 174.700 -0.007 0.000 1.052 388 T CA 1.542 63.649 62.100 0.012 0.000 1.125 388 T CB 0.144 69.028 68.868 0.026 0.000 0.908 388 T HN 1.036 nan 8.240 nan 0.000 0.473 389 T N 0.981 115.518 114.554 -0.029 0.000 2.738 389 T HA 0.418 4.768 4.350 0.000 0.000 0.298 389 T C 1.197 175.885 174.700 -0.020 0.000 0.962 389 T CA -0.608 61.475 62.100 -0.028 0.000 0.972 389 T CB 0.484 69.322 68.868 -0.051 0.000 0.928 389 T HN -0.080 nan 8.240 nan 0.000 0.474 390 I N 2.418 122.983 120.570 -0.008 0.000 2.076 390 I HA -0.046 4.124 4.170 0.000 0.000 0.237 390 I C 1.569 177.687 176.117 0.001 0.000 1.059 390 I CA 1.153 62.452 61.300 -0.002 0.000 1.317 390 I CB -0.690 37.311 38.000 0.001 0.000 1.037 390 I HN 0.788 nan 8.210 nan 0.000 0.398 391 D N 0.609 121.012 120.400 0.004 0.000 2.506 391 D HA 0.021 4.661 4.640 0.000 0.000 0.272 391 D C -0.240 176.068 176.300 0.014 0.000 1.214 391 D CA -0.336 53.670 54.000 0.010 0.000 1.067 391 D CB 0.407 41.214 40.800 0.011 0.000 1.117 391 D HN 0.146 nan 8.370 nan 0.000 0.578 392 D N -0.327 120.087 120.400 0.023 0.000 2.519 392 D HA 0.036 4.676 4.640 0.000 0.000 0.238 392 D C 0.754 177.078 176.300 0.040 0.000 1.192 392 D CA 0.023 54.042 54.000 0.033 0.000 0.835 392 D CB -0.023 40.801 40.800 0.040 0.000 0.975 392 D HN 0.156 nan 8.370 nan 0.000 0.490 393 S N -0.021 115.702 115.700 0.038 0.000 2.571 393 S HA -0.182 4.288 4.470 0.000 0.000 0.245 393 S C 1.325 175.966 174.600 0.068 0.000 0.976 393 S CA 0.106 58.329 58.200 0.038 0.000 0.954 393 S CB -0.249 62.969 63.200 0.031 0.000 0.756 393 S HN 0.417 nan 8.310 nan 0.000 0.535 394 Y N 2.304 122.564 120.300 -0.066 0.000 2.561 394 Y HA 0.086 4.636 4.550 -0.000 0.000 0.291 394 Y C 0.875 176.739 175.900 -0.059 0.000 1.141 394 Y CA 0.375 58.426 58.100 -0.082 0.000 1.303 394 Y CB -0.042 38.334 38.460 -0.140 0.000 1.015 394 Y HN 0.046 nan 8.280 nan 0.000 0.547 395 E N 1.878 122.002 120.200 -0.127 0.000 2.197 395 E HA -0.282 4.068 4.350 0.000 0.000 0.184 395 E C -0.082 176.376 176.600 -0.236 0.000 1.439 395 E CA 1.064 57.368 56.400 -0.161 0.000 0.688 395 E CB -1.390 28.216 29.700 -0.157 0.000 1.090 395 E HN 0.890 nan 8.360 nan 0.000 0.341 396 D N -2.336 117.992 120.400 -0.120 0.000 2.325 396 D HA 0.131 4.771 4.640 0.000 0.000 0.225 396 D C 1.606 177.997 176.300 0.151 0.000 1.096 396 D CA 0.405 54.420 54.000 0.025 0.000 0.844 396 D CB -0.017 40.847 40.800 0.106 0.000 0.925 396 D HN 0.256 nan 8.370 nan 0.000 0.513 397 G N 0.332 109.162 108.800 0.051 0.000 2.591 397 G HA2 -0.252 3.708 3.960 0.000 0.000 0.218 397 G HA3 -0.252 3.708 3.960 0.000 0.000 0.218 397 G C 1.475 176.417 174.900 0.070 0.000 1.113 397 G CA 0.650 45.789 45.100 0.065 0.000 0.740 397 G HN 0.477 nan 8.290 nan 0.000 0.569 398 A N 0.084 122.931 122.820 0.044 0.000 2.016 398 A HA 0.320 4.640 4.320 0.000 0.000 0.217 398 A C 1.860 179.447 177.584 0.005 0.000 1.162 398 A CA 0.402 52.421 52.037 -0.030 0.000 0.662 398 A CB -0.314 18.599 19.000 -0.145 0.000 0.812 398 A HN 0.284 nan 8.150 nan 0.000 0.450 399 F N 0.509 120.489 119.950 0.051 0.000 2.449 399 F HA -0.124 4.403 4.527 0.000 0.000 0.299 399 F C 1.825 177.751 175.800 0.210 0.000 1.092 399 F CA 0.836 58.939 58.000 0.172 0.000 1.446 399 F CB -0.372 38.722 39.000 0.156 0.000 1.084 399 F HN 0.168 nan 8.300 nan 0.000 0.567 400 L N -0.912 120.452 121.223 0.235 0.000 1.988 400 L HA -0.150 4.190 4.340 0.000 0.000 0.207 400 L C 1.115 178.009 176.870 0.040 0.000 1.071 400 L CA 0.933 55.844 54.840 0.118 0.000 0.744 400 L CB -0.727 41.377 42.059 0.076 0.000 0.893 400 L HN -0.020 nan 8.230 nan 0.000 0.433 401 Q N 1.387 121.209 119.800 0.036 0.000 2.274 401 Q HA -0.008 4.332 4.340 0.000 0.000 0.280 401 Q C -1.422 174.549 176.000 -0.048 0.000 1.047 401 Q CA -1.173 54.629 55.803 -0.002 0.000 0.907 401 Q CB 0.865 29.635 28.738 0.052 0.000 1.171 401 Q HN 0.077 nan 8.270 nan 0.000 0.381 402 P HA -0.198 nan 4.420 nan 0.000 0.219 402 P C 0.025 177.162 177.300 -0.272 0.000 1.146 402 P CA 1.344 64.122 63.100 -0.537 0.000 0.808 402 P CB 0.456 31.330 31.700 -1.377 0.000 0.779 403 E N 0.004 120.170 120.200 -0.056 0.000 2.046 403 E HA -0.099 4.251 4.350 0.000 0.000 0.190 403 E C 2.122 178.811 176.600 0.148 0.000 0.982 403 E CA 1.966 58.463 56.400 0.163 0.000 0.800 403 E CB -1.454 28.424 29.700 0.297 0.000 0.756 403 E HN 0.357 nan 8.360 nan 0.000 0.449 404 T N -1.099 113.525 114.554 0.116 0.000 3.085 404 T HA -0.037 4.313 4.350 0.000 0.000 0.263 404 T C 1.596 176.243 174.700 -0.089 0.000 1.127 404 T CA 0.105 62.203 62.100 -0.005 0.000 1.103 404 T CB -0.376 68.455 68.868 -0.061 0.000 0.921 404 T HN 0.095 nan 8.240 nan 0.000 0.510 405 F N 2.760 122.613 119.950 -0.161 0.000 2.015 405 F HA -0.176 4.351 4.527 0.000 0.000 0.297 405 F C 2.224 177.921 175.800 -0.172 0.000 1.141 405 F CA 1.507 59.403 58.000 -0.174 0.000 1.192 405 F CB -0.858 38.105 39.000 -0.062 0.000 0.957 405 F HN 0.021 nan 8.300 nan 0.000 0.491 406 V N 0.039 119.843 119.914 -0.183 0.000 2.407 406 V HA -0.327 3.793 4.120 0.000 0.000 0.248 406 V C 2.314 178.240 176.094 -0.280 0.000 1.055 406 V CA 2.223 64.366 62.300 -0.261 0.000 1.049 406 V CB -0.767 31.056 31.823 -0.001 0.000 0.662 406 V HN 0.400 nan 8.190 nan 0.000 0.455 407 Q N -0.093 119.571 119.800 -0.228 0.000 2.119 407 Q HA -0.051 4.289 4.340 0.000 0.000 0.201 407 Q C 2.330 178.160 176.000 -0.282 0.000 0.972 407 Q CA 1.735 57.413 55.803 -0.208 0.000 0.847 407 Q CB -0.631 28.024 28.738 -0.139 0.000 0.903 407 Q HN 0.654 nan 8.270 nan 0.000 0.433 408 A N 0.499 123.031 122.820 -0.480 0.000 1.940 408 A HA -0.138 4.182 4.320 0.000 0.000 0.219 408 A C 2.216 179.492 177.584 -0.514 0.000 1.176 408 A CA 1.693 53.303 52.037 -0.712 0.000 0.631 408 A CB -0.893 17.212 19.000 -1.492 0.000 0.814 408 A HN 0.390 nan 8.150 nan 0.000 0.446 409 A N -0.636 121.940 122.820 -0.407 0.000 1.898 409 A HA 0.058 4.378 4.320 0.000 0.000 0.216 409 A C 1.980 179.508 177.584 -0.093 0.000 1.181 409 A CA 1.619 53.611 52.037 -0.075 0.000 0.620 409 A CB -0.493 18.407 19.000 -0.166 0.000 0.819 409 A HN 0.383 nan 8.150 nan 0.000 0.442 410 L N -0.282 120.870 121.223 -0.119 0.000 2.027 410 L HA -0.069 4.271 4.340 0.000 0.000 0.206 410 L C 2.924 179.789 176.870 -0.009 0.000 1.074 410 L CA 1.931 56.751 54.840 -0.033 0.000 0.745 410 L CB -1.082 40.988 42.059 0.018 0.000 0.898 410 L HN 0.373 nan 8.230 nan 0.000 0.433 411 A N -1.952 120.847 122.820 -0.036 0.000 2.121 411 A HA -0.229 4.091 4.320 0.000 0.000 0.218 411 A C 2.508 180.071 177.584 -0.036 0.000 1.154 411 A CA 1.468 53.489 52.037 -0.028 0.000 0.679 411 A CB -1.167 17.797 19.000 -0.060 0.000 0.795 411 A HN 0.583 nan 8.150 nan 0.000 0.458 412 C N -0.774 118.509 119.300 -0.030 0.000 2.492 412 C HA -0.065 4.395 4.460 0.000 0.000 0.279 412 C C 2.945 177.882 174.990 -0.088 0.000 1.335 412 C CA 1.091 60.112 59.018 0.004 0.000 1.734 412 C CB -1.443 26.358 27.740 0.102 0.000 2.027 412 C HN 0.850 nan 8.230 nan 0.000 0.496 413 C N -0.662 118.559 119.300 -0.133 0.000 2.563 413 C HA 0.318 4.778 4.460 0.000 0.000 0.268 413 C C 1.132 175.995 174.990 -0.212 0.000 1.365 413 C CA 0.526 59.401 59.018 -0.238 0.000 1.754 413 C CB -1.828 25.759 27.740 -0.256 0.000 1.932 413 C HN 0.643 nan 8.230 nan 0.000 0.536 414 T N -0.598 113.882 114.554 -0.124 0.000 2.912 414 T HA 0.550 4.900 4.350 0.000 0.000 0.299 414 T C 0.985 175.646 174.700 -0.065 0.000 1.052 414 T CA 0.452 62.489 62.100 -0.105 0.000 0.996 414 T CB 1.357 70.166 68.868 -0.098 0.000 1.070 414 T HN 0.334 nan 8.240 nan 0.000 0.465 415 G N 2.021 110.783 108.800 -0.063 0.000 2.708 415 G HA2 -0.005 3.955 3.960 0.000 0.000 0.210 415 G HA3 -0.005 3.955 3.960 0.000 0.000 0.210 415 G C 0.597 175.484 174.900 -0.021 0.000 1.141 415 G CA 0.320 45.398 45.100 -0.037 0.000 0.788 415 G HN 0.665 nan 8.290 nan 0.000 0.531 416 Q N 0.755 120.540 119.800 -0.026 0.000 2.395 416 Q HA 0.146 4.486 4.340 0.000 0.000 0.271 416 Q C -0.712 175.335 176.000 0.078 0.000 1.026 416 Q CA 0.122 55.928 55.803 0.006 0.000 0.900 416 Q CB 0.624 29.323 28.738 -0.065 0.000 1.266 416 Q HN 0.118 nan 8.270 nan 0.000 0.430 417 D N 2.508 122.973 120.400 0.108 0.000 2.393 417 D HA 0.215 4.855 4.640 0.000 0.000 0.232 417 D C -0.758 175.650 176.300 0.180 0.000 1.192 417 D CA -0.069 53.995 54.000 0.106 0.000 0.882 417 D CB 0.532 41.382 40.800 0.083 0.000 1.038 417 D HN 0.597 nan 8.370 nan 0.000 0.499 418 A N 4.581 127.482 122.820 0.135 0.000 2.561 418 A HA 0.199 4.519 4.320 0.000 0.000 0.251 418 A C -2.018 175.600 177.584 0.056 0.000 1.062 418 A CA -0.768 51.322 52.037 0.088 0.000 0.761 418 A CB -0.259 18.727 19.000 -0.024 0.000 0.986 418 A HN 0.260 nan 8.150 nan 0.000 0.510 419 P HA 0.182 nan 4.420 nan 0.000 0.266 419 P C -0.099 177.244 177.300 0.071 0.000 1.215 419 P CA -0.225 62.944 63.100 0.114 0.000 0.763 419 P CB 0.430 32.228 31.700 0.164 0.000 0.806 420 L N 3.972 125.259 121.223 0.106 0.000 2.456 420 L HA 0.084 4.424 4.340 0.000 0.000 0.246 420 L C 1.854 178.728 176.870 0.007 0.000 1.238 420 L CA 0.761 55.633 54.840 0.055 0.000 0.826 420 L CB -0.431 41.660 42.059 0.054 0.000 1.150 420 L HN 0.294 nan 8.230 nan 0.000 0.514 421 N N 0.267 118.923 118.700 -0.073 0.000 2.422 421 N HA 0.056 4.796 4.740 0.000 0.000 0.181 421 N C 1.192 176.478 175.510 -0.373 0.000 1.080 421 N CA 0.896 53.814 53.050 -0.220 0.000 0.893 421 N CB 0.249 38.633 38.487 -0.172 0.000 0.973 421 N HN 0.788 nan 8.380 nan 0.000 0.456 422 G N -0.009 108.459 108.800 -0.553 0.000 2.189 422 G HA2 -0.268 3.692 3.960 0.000 0.000 0.267 422 G HA3 -0.268 3.692 3.960 0.000 0.000 0.267 422 G C 0.088 174.373 174.900 -1.026 0.000 0.975 422 G CA 0.538 44.788 45.100 -1.416 0.000 0.644 422 G HN 0.220 nan 8.290 nan 0.000 0.537 423 M N 0.028 119.288 119.600 -0.568 0.000 2.618 423 M HA 0.505 4.985 4.480 0.000 0.000 0.281 423 M C -0.011 176.096 176.300 -0.322 0.000 1.267 423 M CA -0.348 54.716 55.300 -0.392 0.000 0.845 423 M CB 2.269 34.676 32.600 -0.322 0.000 1.732 423 M HN 0.558 nan 8.290 nan 0.000 0.461 424 S N -0.326 115.282 115.700 -0.154 0.000 2.489 424 S HA 0.534 5.004 4.470 0.000 0.000 0.291 424 S C -0.196 174.249 174.600 -0.257 0.000 1.151 424 S CA -0.241 57.722 58.200 -0.396 0.000 1.082 424 S CB 1.315 64.455 63.200 -0.100 0.000 1.019 424 S HN 0.772 nan 8.310 nan 0.000 0.492 425 D N -0.972 119.231 120.400 -0.329 0.000 3.006 425 D HA -0.146 4.494 4.640 0.000 0.000 0.205 425 D C 0.227 176.366 176.300 -0.269 0.000 1.075 425 D CA 1.472 55.390 54.000 -0.138 0.000 1.000 425 D CB -2.164 38.591 40.800 -0.075 0.000 1.097 425 D HN 0.952 nan 8.370 nan 0.000 0.426 426 V N -1.340 118.395 119.914 -0.299 0.000 2.547 426 V HA 0.874 4.994 4.120 0.000 0.000 0.299 426 V C -0.236 175.674 176.094 -0.307 0.000 1.040 426 V CA -0.516 61.538 62.300 -0.410 0.000 0.913 426 V CB 1.719 33.384 31.823 -0.263 0.000 0.992 426 V HN 0.294 nan 8.190 nan 0.000 0.449 427 Y N 1.593 121.792 120.300 -0.168 0.000 3.035 427 Y HA 0.748 5.298 4.550 -0.000 0.000 0.388 427 Y C -1.496 174.310 175.900 -0.156 0.000 1.268 427 Y CA -1.162 56.854 58.100 -0.139 0.000 1.128 427 Y CB 1.015 39.418 38.460 -0.096 0.000 1.820 427 Y HN 0.891 nan 8.280 nan 0.000 0.432 428 V N 1.522 121.583 119.914 0.245 0.000 2.610 428 V HA 0.764 4.884 4.120 0.000 0.000 0.298 428 V C -1.190 174.978 176.094 0.124 0.000 1.067 428 V CA 0.724 63.075 62.300 0.084 0.000 0.894 428 V CB 1.214 33.015 31.823 -0.036 0.000 1.015 428 V HN 1.385 nan 8.190 nan 0.000 0.432 429 T N 5.071 119.617 114.554 -0.014 0.000 2.821 429 T HA 0.621 4.971 4.350 0.000 0.000 0.306 429 T C -1.922 172.591 174.700 -0.312 0.000 1.313 429 T CA -0.268 61.798 62.100 -0.056 0.000 1.012 429 T CB 1.799 70.449 68.868 -0.364 0.000 1.298 429 T HN 0.501 nan 8.240 nan 0.000 0.502 430 Y N 2.734 122.925 120.300 -0.182 0.000 2.854 430 Y HA 0.356 4.906 4.550 -0.000 0.000 0.330 430 Y C -1.774 173.946 175.900 -0.299 0.000 1.037 430 Y CA -2.235 55.806 58.100 -0.098 0.000 1.263 430 Y CB 1.226 39.773 38.460 0.145 0.000 1.120 430 Y HN 0.512 nan 8.280 nan 0.000 0.532 431 P HA -0.120 nan 4.420 nan 0.000 0.225 431 P C 0.580 177.846 177.300 -0.056 0.000 1.148 431 P CA 1.319 64.311 63.100 -0.181 0.000 0.779 431 P CB 0.414 32.028 31.700 -0.145 0.000 0.780 432 D N -1.084 119.344 120.400 0.047 0.000 2.324 432 D HA 0.090 4.730 4.640 0.000 0.000 0.235 432 D C 0.837 177.182 176.300 0.074 0.000 1.095 432 D CA 0.577 54.640 54.000 0.104 0.000 0.871 432 D CB -0.049 40.902 40.800 0.252 0.000 0.906 432 D HN 0.261 nan 8.370 nan 0.000 0.522 433 L N 0.180 121.424 121.223 0.036 0.000 3.431 433 L HA 0.148 4.488 4.340 0.000 0.000 0.316 433 L C 1.359 178.280 176.870 0.085 0.000 1.305 433 L CA -0.067 54.799 54.840 0.043 0.000 0.995 433 L CB 0.727 42.818 42.059 0.053 0.000 1.411 433 L HN -0.091 nan 8.230 nan 0.000 0.610 434 L N 0.541 121.781 121.223 0.029 0.000 2.131 434 L HA -0.022 4.318 4.340 0.000 0.000 0.210 434 L C 0.862 177.777 176.870 0.075 0.000 1.092 434 L CA 1.795 56.666 54.840 0.053 0.000 0.759 434 L CB 0.019 42.072 42.059 -0.010 0.000 0.903 434 L HN 0.222 nan 8.230 nan 0.000 0.435 435 E N 0.010 120.219 120.200 0.016 0.000 2.014 435 E HA 0.063 4.413 4.350 0.000 0.000 0.275 435 E C 0.662 177.201 176.600 -0.102 0.000 0.997 435 E CA -0.158 56.216 56.400 -0.044 0.000 0.804 435 E CB 0.285 29.925 29.700 -0.100 0.000 1.090 435 E HN 0.408 nan 8.360 nan 0.000 0.401 436 F N 2.405 122.286 119.950 -0.115 0.000 2.380 436 F HA -0.232 4.295 4.527 0.000 0.000 0.299 436 F C 1.363 177.077 175.800 -0.144 0.000 1.064 436 F CA 1.112 59.008 58.000 -0.174 0.000 1.432 436 F CB 0.036 38.875 39.000 -0.268 0.000 1.089 436 F HN 0.340 nan 8.300 nan 0.000 0.562 437 D N 1.400 121.282 120.400 -0.863 0.000 2.328 437 D HA 0.070 4.710 4.640 0.000 0.000 0.221 437 D C 0.647 176.771 176.300 -0.293 0.000 1.072 437 D CA 0.349 53.955 54.000 -0.657 0.000 0.850 437 D CB -0.212 40.137 40.800 -0.751 0.000 0.922 437 D HN 0.355 nan 8.370 nan 0.000 0.516 438 A N 1.013 123.712 122.820 -0.202 0.000 2.580 438 A HA 0.134 4.454 4.320 0.000 0.000 0.244 438 A C 0.270 177.822 177.584 -0.053 0.000 1.045 438 A CA 0.068 52.049 52.037 -0.094 0.000 0.761 438 A CB 0.368 19.341 19.000 -0.045 0.000 0.962 438 A HN 0.201 nan 8.150 nan 0.000 0.512 439 V N 3.670 123.564 119.914 -0.033 0.000 2.716 439 V HA 0.771 4.891 4.120 0.000 0.000 0.304 439 V C 0.285 176.397 176.094 0.031 0.000 1.053 439 V CA 0.370 62.662 62.300 -0.013 0.000 0.984 439 V CB 1.971 33.778 31.823 -0.025 0.000 1.021 439 V HN 1.092 nan 8.190 nan 0.000 0.467 440 T N 4.922 119.496 114.554 0.035 0.000 2.894 440 T HA 0.532 4.882 4.350 0.000 0.000 0.309 440 T C -1.157 173.548 174.700 0.008 0.000 1.208 440 T CA -0.709 61.422 62.100 0.052 0.000 1.016 440 T CB 1.798 70.748 68.868 0.136 0.000 1.192 440 T HN 0.879 nan 8.240 nan 0.000 0.491 441 Q N 0.202 119.989 119.800 -0.022 0.000 2.240 441 Q HA 0.862 5.202 4.340 0.000 0.000 0.260 441 Q C -1.376 174.544 176.000 -0.134 0.000 1.018 441 Q CA -0.857 54.911 55.803 -0.059 0.000 0.898 441 Q CB 1.294 30.010 28.738 -0.036 0.000 1.301 441 Q HN 0.465 nan 8.270 nan 0.000 0.469 442 V N 0.000 119.797 119.914 -0.196 0.000 2.711 442 V HA 0.479 4.599 4.120 0.000 0.000 0.304 442 V C -2.623 173.307 176.094 -0.274 0.000 1.097 442 V CA -1.969 60.208 62.300 -0.205 0.000 0.906 442 V CB 1.901 33.650 31.823 -0.123 0.000 1.015 442 V HN 0.800 nan 8.190 nan 0.000 0.427 443 P HA 0.337 nan 4.420 nan 0.000 0.267 443 P C -0.839 176.418 177.300 -0.071 0.000 1.209 443 P CA 0.269 63.262 63.100 -0.178 0.000 0.763 443 P CB 0.373 32.003 31.700 -0.116 0.000 0.816 444 I N 1.540 122.114 120.570 0.006 0.000 3.002 444 I HA 0.454 4.624 4.170 0.000 0.000 0.310 444 I C 0.960 177.106 176.117 0.047 0.000 1.087 444 I CA -0.628 60.678 61.300 0.009 0.000 1.017 444 I CB 1.725 39.731 38.000 0.010 0.000 1.226 444 I HN 0.239 nan 8.210 nan 0.000 0.443 445 T N 1.362 115.947 114.554 0.051 0.000 2.847 445 T HA 0.660 5.010 4.350 0.000 0.000 0.237 445 T C -0.893 173.856 174.700 0.081 0.000 1.049 445 T CA -0.264 61.877 62.100 0.069 0.000 1.107 445 T CB 1.474 70.391 68.868 0.082 0.000 2.638 445 T HN 0.400 nan 8.240 nan 0.000 0.487 446 V N 0.898 120.868 119.914 0.093 0.000 3.147 446 V HA 0.692 4.812 4.120 0.000 0.000 0.299 446 V C -2.125 174.035 176.094 0.111 0.000 1.302 446 V CA -0.670 61.691 62.300 0.101 0.000 1.015 446 V CB 1.978 33.849 31.823 0.080 0.000 1.086 446 V HN 0.716 nan 8.190 nan 0.000 0.437 447 I N 3.803 124.445 120.570 0.120 0.000 2.688 447 I HA 0.206 4.376 4.170 0.000 0.000 0.287 447 I C -0.289 175.912 176.117 0.140 0.000 1.707 447 I CA -0.451 60.920 61.300 0.119 0.000 1.043 447 I CB 1.864 39.928 38.000 0.107 0.000 1.540 447 I HN 1.037 nan 8.210 nan 0.000 0.463 448 E N 5.745 126.015 120.200 0.118 0.000 2.612 448 E HA -0.145 4.205 4.350 0.000 0.000 0.331 448 E C -2.253 174.357 176.600 0.017 0.000 0.695 448 E CA -0.574 55.880 56.400 0.090 0.000 1.220 448 E CB -0.666 29.102 29.700 0.113 0.000 0.606 448 E HN 0.170 nan 8.360 nan 0.000 0.452 449 P HA 0.127 nan 4.420 nan 0.000 0.265 449 P C -0.903 176.310 177.300 -0.146 0.000 1.222 449 P CA 0.285 63.360 63.100 -0.043 0.000 0.767 449 P CB 1.196 32.906 31.700 0.017 0.000 0.801 450 A N 3.068 125.683 122.820 -0.340 0.000 2.485 450 A HA 0.669 4.989 4.320 0.000 0.000 0.292 450 A C 1.170 178.570 177.584 -0.307 0.000 1.147 450 A CA -0.372 51.443 52.037 -0.370 0.000 0.750 450 A CB 0.590 19.232 19.000 -0.598 0.000 1.331 450 A HN 0.475 nan 8.150 nan 0.000 0.419 451 G N -0.533 108.163 108.800 -0.173 0.000 2.484 451 G HA2 -0.235 3.725 3.960 0.000 0.000 0.289 451 G HA3 -0.235 3.725 3.960 0.000 0.000 0.289 451 G C 0.408 175.481 174.900 0.289 0.000 0.679 451 G CA 1.546 46.647 45.100 0.001 0.000 0.722 451 G HN 0.671 nan 8.290 nan 0.000 0.551 452 Y N -0.759 119.569 120.300 0.047 0.000 2.458 452 Y HA -0.063 4.487 4.550 -0.000 0.000 0.254 452 Y C 2.016 177.940 175.900 0.040 0.000 1.120 452 Y CA -0.010 58.110 58.100 0.034 0.000 1.282 452 Y CB 0.330 38.775 38.460 -0.024 0.000 1.109 452 Y HN 0.576 nan 8.280 nan 0.000 0.526 453 N N 1.012 119.838 118.700 0.210 0.000 2.672 453 N HA -0.289 4.451 4.740 0.000 0.000 0.247 453 N C -0.427 175.112 175.510 0.049 0.000 1.137 453 N CA 1.151 54.258 53.050 0.095 0.000 0.825 453 N CB -2.403 36.075 38.487 -0.014 0.000 1.165 453 N HN 0.304 nan 8.380 nan 0.000 0.578 454 I N -1.393 119.218 120.570 0.068 0.000 3.308 454 I HA -0.018 4.152 4.170 0.000 0.000 0.299 454 I C 0.714 176.854 176.117 0.038 0.000 1.249 454 I CA 0.020 61.349 61.300 0.048 0.000 1.397 454 I CB -0.031 38.009 38.000 0.066 0.000 1.320 454 I HN 0.032 nan 8.210 nan 0.000 0.587 455 V N 2.993 122.932 119.914 0.042 0.000 2.445 455 V HA 0.250 4.370 4.120 0.000 0.000 0.283 455 V C -0.894 175.189 176.094 -0.018 0.000 1.014 455 V CA -0.591 61.717 62.300 0.014 0.000 0.852 455 V CB 0.708 32.536 31.823 0.009 0.000 1.021 455 V HN 1.057 nan 8.190 nan 0.000 0.435 456 D N 3.167 123.546 120.400 -0.034 0.000 2.810 456 D HA -0.244 4.396 4.640 0.000 0.000 0.224 456 D C 0.191 176.451 176.300 -0.067 0.000 1.222 456 D CA 1.055 55.012 54.000 -0.071 0.000 0.698 456 D CB -1.202 39.519 40.800 -0.132 0.000 0.961 456 D HN 0.766 nan 8.370 nan 0.000 0.403 457 D N -1.636 118.794 120.400 0.051 0.000 3.041 457 D HA -0.220 4.420 4.640 0.000 0.000 0.220 457 D C -0.683 175.848 176.300 0.385 0.000 1.157 457 D CA 1.148 55.242 54.000 0.156 0.000 0.876 457 D CB -1.330 39.555 40.800 0.142 0.000 1.107 457 D HN 0.716 nan 8.370 nan 0.000 0.422 458 H N -0.036 119.025 119.070 -0.016 0.000 2.800 458 H HA 0.483 5.039 4.556 0.000 0.000 0.322 458 H C -0.305 174.999 175.328 -0.039 0.000 0.979 458 H CA -0.791 55.241 56.048 -0.027 0.000 1.277 458 H CB 1.061 30.810 29.762 -0.022 0.000 1.484 458 H HN 0.012 nan 8.280 nan 0.000 0.512 459 L N 5.089 126.313 121.223 0.003 0.000 2.369 459 L HA 0.255 4.595 4.340 0.000 0.000 0.279 459 L C -0.141 176.703 176.870 -0.044 0.000 1.108 459 L CA -0.536 54.273 54.840 -0.052 0.000 0.852 459 L CB 0.049 42.022 42.059 -0.144 0.000 1.169 459 L HN 0.445 nan 8.230 nan 0.000 0.452 460 V N 5.289 125.184 119.914 -0.031 0.000 2.530 460 V HA 0.700 4.820 4.120 0.000 0.000 0.282 460 V C -0.174 175.890 176.094 -0.050 0.000 1.048 460 V CA -0.250 62.032 62.300 -0.031 0.000 0.997 460 V CB 1.118 32.922 31.823 -0.031 0.000 0.987 460 V HN 0.576 nan 8.190 nan 0.000 0.477 461 V N 4.756 124.650 119.914 -0.032 0.000 3.007 461 V HA 0.710 4.830 4.120 0.000 0.000 0.311 461 V C -0.065 176.020 176.094 -0.014 0.000 1.120 461 V CA -0.289 61.996 62.300 -0.025 0.000 0.980 461 V CB 1.986 33.802 31.823 -0.012 0.000 1.033 461 V HN 1.151 nan 8.190 nan 0.000 0.429 462 V N 0.099 120.005 119.914 -0.013 0.000 2.667 462 V HA 1.032 5.152 4.120 0.000 0.000 0.308 462 V C 0.872 176.958 176.094 -0.012 0.000 1.048 462 V CA 0.368 62.653 62.300 -0.025 0.000 0.928 462 V CB 0.551 32.350 31.823 -0.039 0.000 1.004 462 V HN 1.745 nan 8.190 nan 0.000 0.444 463 G N 2.734 111.510 108.800 -0.040 0.000 2.665 463 G HA2 -0.135 3.825 3.960 0.000 0.000 0.326 463 G HA3 -0.135 3.825 3.960 0.000 0.000 0.326 463 G C 0.205 175.096 174.900 -0.016 0.000 1.231 463 G CA 1.360 46.441 45.100 -0.032 0.000 0.992 463 G HN 2.308 nan 8.290 nan 0.000 0.549 464 V N -2.204 117.705 119.914 -0.008 0.000 2.760 464 V HA 0.741 4.861 4.120 0.000 0.000 0.309 464 V C -2.394 173.702 176.094 0.004 0.000 1.077 464 V CA -1.572 60.705 62.300 -0.039 0.000 0.910 464 V CB 2.009 33.724 31.823 -0.180 0.000 1.008 464 V HN 0.745 nan 8.190 nan 0.000 0.424 465 P HA 0.390 nan 4.420 nan 0.000 0.277 465 P C -0.474 176.684 177.300 -0.236 0.000 1.271 465 P CA -0.465 62.578 63.100 -0.096 0.000 0.795 465 P CB 0.819 32.477 31.700 -0.071 0.000 1.101 466 V N 0.753 120.486 119.914 -0.302 0.000 2.218 466 V HA 0.259 4.379 4.120 0.000 0.000 0.261 466 V C 1.402 177.379 176.094 -0.196 0.000 1.142 466 V CA 0.038 62.153 62.300 -0.308 0.000 0.965 466 V CB -0.496 31.158 31.823 -0.281 0.000 1.190 466 V HN 0.683 nan 8.190 nan 0.000 0.478 467 A N 2.681 125.385 122.820 -0.194 0.000 2.235 467 A HA 0.192 4.512 4.320 0.000 0.000 0.208 467 A C 1.027 178.551 177.584 -0.100 0.000 1.172 467 A CA 0.930 52.898 52.037 -0.115 0.000 0.786 467 A CB -0.461 18.505 19.000 -0.058 0.000 0.804 467 A HN 0.933 nan 8.150 nan 0.000 0.479 468 C N -3.742 115.490 119.300 -0.114 0.000 3.266 468 C HA 0.785 5.245 4.460 0.000 0.000 0.369 468 C C 0.053 174.917 174.990 -0.211 0.000 1.580 468 C CA -0.166 58.770 59.018 -0.136 0.000 1.165 468 C CB 0.921 28.514 27.740 -0.245 0.000 1.835 468 C HN 0.650 nan 8.230 nan 0.000 0.433 469 S N 0.870 116.425 115.700 -0.241 0.000 2.718 469 S HA 0.823 5.293 4.470 0.000 0.000 0.300 469 S C -1.588 172.802 174.600 -0.350 0.000 1.117 469 S CA -0.486 57.413 58.200 -0.502 0.000 1.002 469 S CB 1.555 64.617 63.200 -0.231 0.000 1.092 469 S HN 0.859 nan 8.310 nan 0.000 0.542 470 P HA -0.035 nan 4.420 nan 0.000 0.211 470 P C 0.958 178.248 177.300 -0.016 0.000 1.191 470 P CA 1.197 64.167 63.100 -0.216 0.000 0.909 470 P CB -0.479 31.076 31.700 -0.242 0.000 0.770 471 Y N -0.388 120.093 120.300 0.302 0.000 2.624 471 Y HA -0.343 4.207 4.550 -0.000 0.000 0.241 471 Y C 2.732 178.758 175.900 0.209 0.000 1.418 471 Y CA 1.887 60.136 58.100 0.248 0.000 0.956 471 Y CB -1.842 36.672 38.460 0.090 0.000 0.745 471 Y HN -0.092 nan 8.280 nan 0.000 0.550 472 M N -0.710 119.060 119.600 0.284 0.000 2.202 472 M HA -0.124 4.356 4.480 0.000 0.000 0.262 472 M C 1.378 177.787 176.300 0.181 0.000 1.063 472 M CA 1.390 56.813 55.300 0.205 0.000 1.097 472 M CB -0.532 32.156 32.600 0.146 0.000 1.382 472 M HN 0.480 nan 8.290 nan 0.000 0.413 473 I N -3.583 117.085 120.570 0.163 0.000 3.176 473 I HA 0.129 4.299 4.170 0.000 0.000 0.339 473 I C 0.993 177.186 176.117 0.127 0.000 1.505 473 I CA -0.419 60.941 61.300 0.100 0.000 0.969 473 I CB -1.236 36.773 38.000 0.015 0.000 1.636 473 I HN -0.033 nan 8.210 nan 0.000 0.523 474 F N 4.500 124.488 119.950 0.065 0.000 2.045 474 F HA -0.091 4.436 4.527 0.000 0.000 0.297 474 F C -1.022 174.820 175.800 0.069 0.000 1.114 474 F CA 2.191 60.231 58.000 0.067 0.000 1.207 474 F CB -1.669 37.442 39.000 0.186 0.000 0.964 474 F HN 0.188 nan 8.300 nan 0.000 0.486 475 P HA -0.032 nan 4.420 nan 0.000 0.274 475 P C 1.414 178.556 177.300 -0.264 0.000 1.370 475 P CA 0.654 63.501 63.100 -0.422 0.000 0.760 475 P CB -0.351 31.274 31.700 -0.124 0.000 1.308 476 V N 0.423 120.205 119.914 -0.220 0.000 2.461 476 V HA -0.397 3.723 4.120 0.000 0.000 0.210 476 V C 1.288 177.306 176.094 -0.128 0.000 0.934 476 V CA 2.558 64.784 62.300 -0.123 0.000 1.107 476 V CB -1.957 29.848 31.823 -0.029 0.000 0.916 476 V HN 0.536 nan 8.190 nan 0.000 0.512 477 A N -1.983 120.764 122.820 -0.121 0.000 4.068 477 A HA 0.364 4.684 4.320 0.000 0.000 0.225 477 A C 0.664 178.136 177.584 -0.186 0.000 1.193 477 A CA 1.006 52.977 52.037 -0.111 0.000 0.802 477 A CB -1.717 17.230 19.000 -0.090 0.000 0.954 477 A HN 2.139 nan 8.150 nan 0.000 0.451 478 A N -0.265 122.373 122.820 -0.303 0.000 1.993 478 A HA 0.695 5.015 4.320 0.000 0.000 0.207 478 A C 0.394 177.619 177.584 -0.598 0.000 1.224 478 A CA 0.914 52.588 52.037 -0.604 0.000 0.749 478 A CB 0.259 18.584 19.000 -1.125 0.000 0.884 478 A HN 1.086 nan 8.150 nan 0.000 0.467 479 F N 1.084 121.018 119.950 -0.027 0.000 2.482 479 F HA 0.251 4.778 4.527 -0.000 0.000 0.331 479 F C 0.566 176.377 175.800 0.018 0.000 1.115 479 F CA -1.008 56.998 58.000 0.009 0.000 0.955 479 F CB 1.535 40.576 39.000 0.069 0.000 1.136 479 F HN 0.243 nan 8.300 nan 0.000 0.452 480 D N 0.044 120.565 120.400 0.201 0.000 2.403 480 D HA -0.086 4.554 4.640 0.000 0.000 0.227 480 D C 0.501 176.872 176.300 0.120 0.000 0.995 480 D CA 0.487 54.558 54.000 0.118 0.000 0.928 480 D CB -0.682 40.170 40.800 0.087 0.000 0.887 480 D HN 0.492 nan 8.370 nan 0.000 0.529 481 T N -3.445 111.207 114.554 0.164 0.000 2.942 481 T HA 0.663 5.013 4.350 0.000 0.000 0.289 481 T C -0.020 174.771 174.700 0.152 0.000 1.044 481 T CA -0.872 61.303 62.100 0.124 0.000 1.023 481 T CB 2.100 71.015 68.868 0.078 0.000 1.123 481 T HN 0.149 nan 8.240 nan 0.000 0.512 482 A N 2.085 124.981 122.820 0.127 0.000 2.477 482 A HA 0.579 4.899 4.320 0.000 0.000 0.246 482 A C 0.462 178.134 177.584 0.146 0.000 1.078 482 A CA -0.190 51.942 52.037 0.158 0.000 0.770 482 A CB -1.038 18.067 19.000 0.176 0.000 1.011 482 A HN 1.242 nan 8.150 nan 0.000 0.494 483 N N 0.273 119.079 118.700 0.175 0.000 3.339 483 N HA 0.430 5.170 4.740 0.000 0.000 0.275 483 N C -2.874 172.651 175.510 0.025 0.000 1.514 483 N CA -1.149 51.871 53.050 -0.049 0.000 0.879 483 N CB 0.948 39.559 38.487 0.207 0.000 1.557 483 N HN 0.080 nan 8.380 nan 0.000 0.524 484 P HA -0.113 nan 4.420 nan 0.000 0.216 484 P C 0.628 177.846 177.300 -0.137 0.000 1.150 484 P CA 1.440 64.131 63.100 -0.681 0.000 0.837 484 P CB -0.131 30.264 31.700 -2.175 0.000 0.786 485 Y N -1.040 119.348 120.300 0.147 0.000 2.181 485 Y HA -0.230 4.320 4.550 -0.000 0.000 0.288 485 Y C 2.846 178.668 175.900 -0.130 0.000 1.146 485 Y CA 1.084 59.240 58.100 0.092 0.000 1.164 485 Y CB -1.266 37.231 38.460 0.061 0.000 0.982 485 Y HN 0.098 nan 8.280 nan 0.000 0.515 486 C N -0.490 118.868 119.300 0.096 0.000 2.429 486 C HA 0.086 4.546 4.460 0.000 0.000 0.277 486 C C 2.318 177.185 174.990 -0.204 0.000 1.262 486 C CA 1.698 60.698 59.018 -0.030 0.000 1.733 486 C CB -0.947 26.840 27.740 0.078 0.000 2.010 486 C HN 0.818 nan 8.230 nan 0.000 0.483 487 G N 0.751 109.486 108.800 -0.109 0.000 2.796 487 G HA2 -0.081 3.879 3.960 0.000 0.000 0.198 487 G HA3 -0.081 3.879 3.960 0.000 0.000 0.198 487 G C -0.137 174.859 174.900 0.160 0.000 1.062 487 G CA 0.388 45.482 45.100 -0.011 0.000 0.752 487 G HN 1.073 nan 8.290 nan 0.000 0.487 488 N N -0.670 118.085 118.700 0.091 0.000 2.416 488 N HA 0.802 5.542 4.740 0.000 0.000 0.276 488 N C -0.672 174.899 175.510 0.102 0.000 1.261 488 N CA -0.534 52.512 53.050 -0.007 0.000 0.790 488 N CB 2.399 40.876 38.487 -0.016 0.000 1.554 488 N HN 1.090 nan 8.380 nan 0.000 0.481 489 F N -2.218 117.715 119.950 -0.028 0.000 2.807 489 F HA 0.733 5.260 4.527 -0.000 0.000 0.316 489 F C -2.006 173.788 175.800 -0.009 0.000 1.162 489 F CA -1.101 56.884 58.000 -0.024 0.000 0.910 489 F CB 0.367 39.328 39.000 -0.065 0.000 1.314 489 F HN 0.452 nan 8.300 nan 0.000 0.454 490 V N 2.097 122.171 119.914 0.266 0.000 3.113 490 V HA 0.684 4.804 4.120 0.000 0.000 0.316 490 V C -1.147 175.118 176.094 0.285 0.000 1.125 490 V CA -1.111 61.293 62.300 0.175 0.000 1.026 490 V CB 2.255 34.154 31.823 0.127 0.000 1.080 490 V HN 0.699 nan 8.190 nan 0.000 0.444 491 I N 3.656 124.375 120.570 0.249 0.000 2.337 491 I HA 0.440 4.610 4.170 0.000 0.000 0.285 491 I C -0.410 176.019 176.117 0.520 0.000 1.041 491 I CA -0.471 61.033 61.300 0.340 0.000 1.199 491 I CB 0.712 38.919 38.000 0.344 0.000 1.370 491 I HN 0.595 nan 8.210 nan 0.000 0.470 492 K N 4.577 125.217 120.400 0.401 0.000 2.235 492 K HA 0.712 5.032 4.320 0.000 0.000 0.266 492 K C 0.381 177.064 176.600 0.138 0.000 0.980 492 K CA -0.405 56.102 56.287 0.368 0.000 0.849 492 K CB 2.135 34.756 32.500 0.201 0.000 1.098 492 K HN 0.626 nan 8.250 nan 0.000 0.445 493 A N 2.351 124.857 122.820 -0.523 0.000 2.251 493 A HA 0.529 4.849 4.320 0.000 0.000 0.277 493 A C 0.085 177.296 177.584 -0.621 0.000 1.313 493 A CA 0.003 51.558 52.037 -0.804 0.000 0.813 493 A CB -0.296 17.513 19.000 -1.986 0.000 1.210 493 A HN 0.825 nan 8.150 nan 0.000 0.509 494 A N -0.371 121.737 122.820 -1.186 0.000 2.540 494 A HA 0.196 4.516 4.320 0.000 0.000 0.239 494 A C 1.045 178.074 177.584 -0.926 0.000 1.061 494 A CA 0.095 51.202 52.037 -1.551 0.000 0.758 494 A CB -0.282 17.658 19.000 -1.767 0.000 0.991 494 A HN 0.726 nan 8.150 nan 0.000 0.502 495 N N 1.308 119.619 118.700 -0.648 0.000 2.205 495 N HA -0.114 4.626 4.740 0.000 0.000 0.186 495 N C 0.160 175.460 175.510 -0.349 0.000 1.015 495 N CA 1.782 54.614 53.050 -0.364 0.000 0.862 495 N CB -0.201 38.145 38.487 -0.236 0.000 0.986 495 N HN 0.835 nan 8.380 nan 0.000 0.429 496 K N -0.994 119.111 120.400 -0.492 0.000 2.578 496 K HA 0.268 4.588 4.320 0.000 0.000 0.269 496 K C -1.821 174.479 176.600 -0.501 0.000 0.941 496 K CA -0.685 55.388 56.287 -0.357 0.000 0.847 496 K CB 0.897 33.303 32.500 -0.156 0.000 1.397 496 K HN -0.192 nan 8.250 nan 0.000 0.422 497 Y N 1.008 121.242 120.300 -0.110 0.000 2.453 497 Y HA 0.580 5.130 4.550 -0.000 0.000 0.326 497 Y C 0.239 176.102 175.900 -0.062 0.000 1.186 497 Y CA -0.715 57.328 58.100 -0.096 0.000 1.200 497 Y CB 1.379 39.792 38.460 -0.078 0.000 1.247 497 Y HN 0.481 nan 8.280 nan 0.000 0.482 498 L N -0.147 121.130 121.223 0.091 0.000 2.311 498 L HA 0.471 4.811 4.340 0.000 0.000 0.245 498 L C 1.259 178.151 176.870 0.036 0.000 1.181 498 L CA -0.961 53.904 54.840 0.041 0.000 1.167 498 L CB 0.495 42.554 42.059 -0.000 0.000 1.646 498 L HN 0.480 nan 8.230 nan 0.000 0.491 499 R N -0.125 120.386 120.500 0.018 0.000 2.140 499 R HA -0.203 4.137 4.340 0.000 0.000 0.250 499 R C 0.746 177.053 176.300 0.010 0.000 1.150 499 R CA 1.837 57.946 56.100 0.016 0.000 0.966 499 R CB -0.447 29.864 30.300 0.018 0.000 0.869 499 R HN 0.228 nan 8.270 nan 0.000 0.445 500 K N -1.272 119.119 120.400 -0.015 0.000 2.374 500 K HA 0.253 4.572 4.320 0.000 0.000 0.202 500 K C 0.370 176.991 176.600 0.036 0.000 1.040 500 K CA 0.566 56.850 56.287 -0.006 0.000 1.085 500 K CB 1.411 33.883 32.500 -0.047 0.000 0.873 500 K HN 0.322 nan 8.250 nan 0.000 0.539 501 G N 1.073 109.910 108.800 0.062 0.000 2.273 501 G HA2 -0.256 3.704 3.960 0.000 0.000 0.280 501 G HA3 -0.256 3.704 3.960 0.000 0.000 0.280 501 G C -0.037 174.915 174.900 0.087 0.000 1.047 501 G CA 0.255 45.483 45.100 0.213 0.000 0.869 501 G HN 0.405 nan 8.290 nan 0.000 0.502 502 A N -0.205 122.552 122.820 -0.106 0.000 2.341 502 A HA 0.766 5.086 4.320 0.000 0.000 0.326 502 A C -0.101 177.393 177.584 -0.150 0.000 1.402 502 A CA -0.313 51.647 52.037 -0.129 0.000 0.957 502 A CB 1.498 20.334 19.000 -0.272 0.000 1.151 502 A HN 1.291 nan 8.150 nan 0.000 0.533 503 V N 3.958 123.762 119.914 -0.183 0.000 2.663 503 V HA 0.395 4.515 4.120 0.000 0.000 0.286 503 V C -1.527 174.311 176.094 -0.426 0.000 1.085 503 V CA -0.249 61.938 62.300 -0.189 0.000 0.916 503 V CB 0.867 32.525 31.823 -0.274 0.000 1.039 503 V HN 0.881 nan 8.190 nan 0.000 0.453 504 Y N 1.285 121.581 120.300 -0.007 0.000 2.677 504 Y HA 0.559 5.109 4.550 -0.000 0.000 0.334 504 Y C -0.277 175.619 175.900 -0.006 0.000 1.154 504 Y CA -1.076 57.005 58.100 -0.031 0.000 1.070 504 Y CB 1.752 40.208 38.460 -0.007 0.000 1.294 504 Y HN 0.600 nan 8.280 nan 0.000 0.475 505 D N 0.331 120.836 120.400 0.175 0.000 2.210 505 D HA 0.272 4.912 4.640 0.000 0.000 0.249 505 D C 0.300 176.611 176.300 0.019 0.000 1.062 505 D CA -0.545 53.485 54.000 0.051 0.000 0.891 505 D CB 1.370 42.169 40.800 -0.002 0.000 1.186 505 D HN 0.399 nan 8.370 nan 0.000 0.432 506 K N 0.994 121.359 120.400 -0.058 0.000 2.108 506 K HA -0.249 4.071 4.320 0.000 0.000 0.219 506 K C 1.339 177.840 176.600 -0.164 0.000 1.054 506 K CA 1.388 57.585 56.287 -0.150 0.000 0.945 506 K CB -0.298 32.012 32.500 -0.316 0.000 0.728 506 K HN 0.381 nan 8.250 nan 0.000 0.462 507 L N 0.783 121.857 121.223 -0.248 0.000 2.341 507 L HA 0.037 4.377 4.340 0.000 0.000 0.214 507 L C 2.052 178.913 176.870 -0.014 0.000 1.115 507 L CA 1.242 55.991 54.840 -0.151 0.000 0.820 507 L CB -1.118 40.729 42.059 -0.353 0.000 0.944 507 L HN 0.117 nan 8.230 nan 0.000 0.452 508 E N 1.015 121.190 120.200 -0.041 0.000 2.150 508 E HA -0.046 4.304 4.350 0.000 0.000 0.193 508 E C 2.308 178.789 176.600 -0.198 0.000 0.985 508 E CA 1.295 57.665 56.400 -0.051 0.000 0.814 508 E CB -0.011 29.765 29.700 0.126 0.000 0.752 508 E HN 0.405 nan 8.360 nan 0.000 0.466 509 A N -0.111 122.659 122.820 -0.083 0.000 1.970 509 A HA -0.105 4.215 4.320 0.000 0.000 0.216 509 A C 1.991 179.467 177.584 -0.180 0.000 1.170 509 A CA 0.925 52.886 52.037 -0.125 0.000 0.645 509 A CB -0.805 18.332 19.000 0.227 0.000 0.816 509 A HN 0.411 nan 8.150 nan 0.000 0.447 510 W N 0.964 122.155 121.300 -0.182 0.000 2.476 510 W HA -0.004 4.656 4.660 -0.000 0.000 0.281 510 W C 1.815 178.150 176.519 -0.306 0.000 1.230 510 W CA 1.562 58.798 57.345 -0.182 0.000 1.287 510 W CB 0.052 29.492 29.460 -0.035 0.000 1.108 510 W HN 0.188 nan 8.180 nan 0.000 0.567 511 K N 0.331 120.430 120.400 -0.503 0.000 2.025 511 K HA -0.184 4.136 4.320 0.000 0.000 0.207 511 K C 2.144 178.457 176.600 -0.479 0.000 1.049 511 K CA 1.884 57.652 56.287 -0.865 0.000 0.933 511 K CB -0.754 31.339 32.500 -0.679 0.000 0.714 511 K HN 0.287 nan 8.250 nan 0.000 0.438 512 L N 0.243 121.259 121.223 -0.344 0.000 2.109 512 L HA -0.052 4.288 4.340 0.000 0.000 0.207 512 L C 2.217 178.911 176.870 -0.294 0.000 1.086 512 L CA 1.280 55.983 54.840 -0.228 0.000 0.760 512 L CB -0.224 41.626 42.059 -0.348 0.000 0.910 512 L HN 0.095 nan 8.230 nan 0.000 0.437 513 A N -0.784 121.708 122.820 -0.546 0.000 2.015 513 A HA -0.252 4.068 4.320 0.000 0.000 0.219 513 A C 1.980 179.283 177.584 -0.470 0.000 1.163 513 A CA 1.401 53.000 52.037 -0.729 0.000 0.646 513 A CB -1.115 16.706 19.000 -1.965 0.000 0.806 513 A HN 0.808 nan 8.150 nan 0.000 0.448 514 W N 0.254 121.150 121.300 -0.672 0.000 2.453 514 W HA 0.097 4.757 4.660 0.000 0.000 0.289 514 W C 2.259 178.548 176.519 -0.382 0.000 1.215 514 W CA 1.521 58.491 57.345 -0.624 0.000 1.297 514 W CB 0.073 28.902 29.460 -1.052 0.000 1.113 514 W HN 0.288 nan 8.180 nan 0.000 0.551 515 A N -0.037 122.819 122.820 0.061 0.000 2.016 515 A HA -0.038 4.282 4.320 0.000 0.000 0.217 515 A C 1.971 179.574 177.584 0.031 0.000 1.162 515 A CA 1.161 53.260 52.037 0.103 0.000 0.662 515 A CB -0.766 18.430 19.000 0.327 0.000 0.812 515 A HN 0.364 nan 8.150 nan 0.000 0.450 516 L N -1.137 120.065 121.223 -0.034 0.000 2.109 516 L HA -0.100 4.240 4.340 0.000 0.000 0.207 516 L C 2.719 179.573 176.870 -0.027 0.000 1.086 516 L CA 1.381 56.238 54.840 0.028 0.000 0.760 516 L CB -0.316 41.731 42.059 -0.021 0.000 0.910 516 L HN 0.374 nan 8.230 nan 0.000 0.437 517 R N 0.100 120.489 120.500 -0.185 0.000 2.120 517 R HA -0.124 4.216 4.340 0.000 0.000 0.234 517 R C 1.916 178.022 176.300 -0.324 0.000 1.123 517 R CA 1.505 57.462 56.100 -0.238 0.000 0.975 517 R CB -0.728 29.384 30.300 -0.313 0.000 0.866 517 R HN 0.123 nan 8.270 nan 0.000 0.446 518 V N 0.551 120.209 119.914 -0.427 0.000 2.270 518 V HA -0.138 3.982 4.120 0.000 0.000 0.245 518 V C 2.369 178.270 176.094 -0.322 0.000 1.043 518 V CA 1.863 63.865 62.300 -0.497 0.000 1.014 518 V CB -1.047 30.462 31.823 -0.523 0.000 0.645 518 V HN 0.511 nan 8.190 nan 0.000 0.447 519 A N -0.304 122.419 122.820 -0.163 0.000 1.908 519 A HA 0.128 4.448 4.320 0.000 0.000 0.218 519 A C 1.875 179.204 177.584 -0.425 0.000 1.181 519 A CA 2.022 53.867 52.037 -0.319 0.000 0.627 519 A CB -0.642 18.164 19.000 -0.322 0.000 0.818 519 A HN 1.378 nan 8.150 nan 0.000 0.445 520 G N -3.029 105.527 108.800 -0.406 0.000 2.334 520 G HA2 0.128 4.088 3.960 0.000 0.000 0.222 520 G HA3 0.128 4.088 3.960 0.000 0.000 0.222 520 G C -0.529 174.009 174.900 -0.602 0.000 1.077 520 G CA -0.205 44.614 45.100 -0.468 0.000 0.861 520 G HN 0.590 nan 8.290 nan 0.000 0.508 521 Y N 0.786 121.072 120.300 -0.023 0.000 2.287 521 Y HA 0.426 4.976 4.550 0.000 0.000 0.325 521 Y C -0.667 175.182 175.900 -0.085 0.000 1.139 521 Y CA -1.906 56.171 58.100 -0.038 0.000 1.167 521 Y CB 0.963 39.399 38.460 -0.040 0.000 1.158 521 Y HN 0.209 nan 8.280 nan 0.000 0.434 522 D N 0.280 120.699 120.400 0.032 0.000 2.339 522 D HA 0.216 4.856 4.640 0.000 0.000 0.256 522 D C 0.350 176.577 176.300 -0.122 0.000 1.214 522 D CA -0.446 53.526 54.000 -0.047 0.000 0.877 522 D CB 1.336 42.094 40.800 -0.069 0.000 1.111 522 D HN 0.428 nan 8.370 nan 0.000 0.478 523 T N 2.069 116.599 114.554 -0.040 0.000 2.832 523 T HA 0.128 4.478 4.350 0.000 0.000 0.296 523 T C -0.167 174.606 174.700 0.122 0.000 0.968 523 T CA -0.658 61.455 62.100 0.022 0.000 1.107 523 T CB 0.307 69.201 68.868 0.043 0.000 0.916 523 T HN 0.347 nan 8.240 nan 0.000 0.517 524 H N 3.624 122.834 119.070 0.233 0.000 2.482 524 H HA 0.552 5.108 4.556 0.000 0.000 0.344 524 H C -0.078 175.408 175.328 0.265 0.000 1.151 524 H CA -0.252 55.879 56.048 0.139 0.000 1.300 524 H CB 1.068 30.847 29.762 0.028 0.000 1.494 524 H HN 0.736 nan 8.280 nan 0.000 0.542 525 F N -0.733 119.396 119.950 0.299 0.000 2.692 525 F HA 0.683 5.210 4.527 0.000 0.000 0.320 525 F C -1.313 174.571 175.800 0.139 0.000 1.123 525 F CA -1.179 56.971 58.000 0.250 0.000 0.961 525 F CB 1.425 40.584 39.000 0.265 0.000 1.383 525 F HN 0.112 nan 8.300 nan 0.000 0.483 526 K N 1.138 121.902 120.400 0.608 0.000 2.542 526 K HA 0.649 4.969 4.320 0.000 0.000 0.259 526 K C -2.129 174.446 176.600 -0.041 0.000 0.932 526 K CA -0.600 55.818 56.287 0.218 0.000 0.820 526 K CB 2.164 34.769 32.500 0.175 0.000 1.345 526 K HN 1.024 nan 8.250 nan 0.000 0.432 527 V N 4.936 124.684 119.914 -0.277 0.000 2.567 527 V HA 0.360 4.480 4.120 0.000 0.000 0.298 527 V C -0.207 175.691 176.094 -0.327 0.000 1.047 527 V CA -0.397 61.706 62.300 -0.330 0.000 0.880 527 V CB 1.240 32.802 31.823 -0.436 0.000 1.009 527 V HN 0.760 nan 8.190 nan 0.000 0.429 528 Y N 4.513 124.664 120.300 -0.248 0.000 2.556 528 Y HA 0.162 4.712 4.550 0.000 0.000 0.290 528 Y C 1.889 177.716 175.900 -0.121 0.000 1.149 528 Y CA 1.370 59.365 58.100 -0.175 0.000 1.329 528 Y CB -0.444 37.907 38.460 -0.182 0.000 0.975 528 Y HN 0.766 nan 8.280 nan 0.000 0.561 529 G N -0.036 108.763 108.800 -0.001 0.000 2.525 529 G HA2 0.135 4.095 3.960 0.000 0.000 0.287 529 G HA3 0.135 4.095 3.960 0.000 0.000 0.287 529 G C -0.766 174.113 174.900 -0.035 0.000 1.350 529 G CA -0.634 44.463 45.100 -0.005 0.000 1.039 529 G HN 0.203 nan 8.290 nan 0.000 0.513 530 D N 0.079 120.487 120.400 0.012 0.000 2.349 530 D HA 0.052 4.692 4.640 0.000 0.000 0.266 530 D C 0.545 176.873 176.300 0.047 0.000 1.293 530 D CA 0.033 54.062 54.000 0.049 0.000 0.926 530 D CB 0.708 41.574 40.800 0.109 0.000 1.090 530 D HN 0.202 nan 8.370 nan 0.000 0.502 531 T N 0.477 114.952 114.554 -0.133 0.000 3.086 531 T HA -0.084 4.266 4.350 0.000 0.000 0.250 531 T C 0.796 175.067 174.700 -0.716 0.000 1.074 531 T CA -0.383 61.456 62.100 -0.435 0.000 0.988 531 T CB -0.485 68.167 68.868 -0.361 0.000 0.988 531 T HN 0.651 nan 8.240 nan 0.000 0.530 532 H N 0.694 119.756 119.070 -0.013 0.000 2.781 532 H HA -0.249 4.307 4.556 0.000 0.000 0.301 532 H C 1.368 176.693 175.328 -0.005 0.000 1.124 532 H CA 0.718 56.770 56.048 0.007 0.000 1.154 532 H CB -2.415 27.371 29.762 0.041 0.000 1.355 532 H HN 0.753 nan 8.280 nan 0.000 0.385 533 G N -0.679 108.064 108.800 -0.094 0.000 2.201 533 G HA2 -0.257 3.703 3.960 0.000 0.000 0.212 533 G HA3 -0.257 3.703 3.960 0.000 0.000 0.212 533 G C 0.278 175.070 174.900 -0.181 0.000 0.994 533 G CA -0.051 44.980 45.100 -0.114 0.000 0.644 533 G HN 0.466 nan 8.290 nan 0.000 0.508 534 L N 1.675 122.751 121.223 -0.245 0.000 2.500 534 L HA 0.424 4.764 4.340 0.000 0.000 0.272 534 L C 1.608 178.256 176.870 -0.371 0.000 1.149 534 L CA 1.213 55.923 54.840 -0.216 0.000 0.897 534 L CB 1.224 43.212 42.059 -0.117 0.000 1.178 534 L HN 0.293 nan 8.230 nan 0.000 0.473 535 T N 2.408 116.655 114.554 -0.511 0.000 2.986 535 T HA 0.101 4.451 4.350 0.000 0.000 0.264 535 T C 0.067 174.188 174.700 -0.966 0.000 0.964 535 T CA -0.158 61.527 62.100 -0.691 0.000 0.895 535 T CB 0.184 68.863 68.868 -0.315 0.000 1.163 535 T HN 0.554 nan 8.240 nan 0.000 0.517 536 K N 0.399 120.343 120.400 -0.760 0.000 2.536 536 K HA 0.356 4.676 4.320 0.000 0.000 0.269 536 K C -1.604 175.031 176.600 0.058 0.000 0.965 536 K CA -0.633 55.445 56.287 -0.349 0.000 0.860 536 K CB 0.649 33.147 32.500 -0.004 0.000 1.423 536 K HN 0.024 nan 8.250 nan 0.000 0.438 537 F N 1.991 122.146 119.950 0.342 0.000 2.529 537 F HA 0.154 4.681 4.527 0.000 0.000 0.365 537 F C 0.546 176.553 175.800 0.345 0.000 1.102 537 F CA 0.081 58.358 58.000 0.460 0.000 1.271 537 F CB 0.263 39.474 39.000 0.353 0.000 1.120 537 F HN 0.420 nan 8.300 nan 0.000 0.579 538 Y N 2.652 123.232 120.300 0.467 0.000 2.334 538 Y HA 0.679 5.229 4.550 0.000 0.000 0.328 538 Y C -0.775 175.362 175.900 0.394 0.000 1.130 538 Y CA -1.202 57.132 58.100 0.391 0.000 1.163 538 Y CB 1.062 39.764 38.460 0.404 0.000 1.207 538 Y HN 0.661 nan 8.280 nan 0.000 0.471 539 A N 5.168 127.529 122.820 -0.766 0.000 2.491 539 A HA 0.372 4.692 4.320 0.000 0.000 0.293 539 A C -1.652 175.571 177.584 -0.601 0.000 1.047 539 A CA -0.783 50.886 52.037 -0.614 0.000 0.735 539 A CB 0.978 19.827 19.000 -0.250 0.000 1.281 539 A HN 0.807 nan 8.150 nan 0.000 0.398 540 D N 0.670 120.863 120.400 -0.345 0.000 2.383 540 D HA 0.307 4.947 4.640 0.000 0.000 0.248 540 D C 0.797 177.098 176.300 0.003 0.000 1.170 540 D CA -0.045 53.947 54.000 -0.015 0.000 0.977 540 D CB 0.836 41.789 40.800 0.255 0.000 1.120 540 D HN 0.348 nan 8.370 nan 0.000 0.481 541 N N 0.303 119.033 118.700 0.049 0.000 2.349 541 N HA 0.034 4.774 4.740 0.000 0.000 0.180 541 N C 1.700 177.249 175.510 0.065 0.000 1.024 541 N CA 0.866 53.935 53.050 0.032 0.000 0.869 541 N CB -0.406 38.104 38.487 0.038 0.000 1.022 541 N HN 0.565 nan 8.380 nan 0.000 0.433 542 G N 0.167 109.030 108.800 0.104 0.000 2.446 542 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 542 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 542 G C 0.266 175.253 174.900 0.146 0.000 1.168 542 G CA 0.806 45.983 45.100 0.128 0.000 0.771 542 G HN 0.268 nan 8.290 nan 0.000 0.551 543 D N -0.186 120.316 120.400 0.170 0.000 2.462 543 D HA 0.338 4.978 4.640 0.000 0.000 0.249 543 D C 0.592 177.018 176.300 0.209 0.000 1.117 543 D CA -0.407 53.729 54.000 0.226 0.000 0.900 543 D CB 0.384 41.333 40.800 0.248 0.000 1.039 543 D HN -0.074 nan 8.370 nan 0.000 0.516 544 T N 2.392 117.022 114.554 0.127 0.000 3.816 544 T HA -0.039 4.311 4.350 0.000 0.000 0.256 544 T C 0.201 174.848 174.700 -0.089 0.000 1.117 544 T CA 0.069 62.136 62.100 -0.055 0.000 0.973 544 T CB -0.788 67.934 68.868 -0.243 0.000 1.070 544 T HN 0.321 nan 8.240 nan 0.000 0.604 545 W N 1.652 122.905 121.300 -0.078 0.000 2.316 545 W HA 0.336 4.996 4.660 -0.000 0.000 0.321 545 W C 0.146 176.550 176.519 -0.192 0.000 1.203 545 W CA -0.426 56.909 57.345 -0.017 0.000 1.214 545 W CB 0.865 30.369 29.460 0.072 0.000 1.169 545 W HN -0.133 nan 8.180 nan 0.000 0.561 546 T N 4.992 119.625 114.554 0.132 0.000 2.770 546 T HA 0.232 4.582 4.350 0.000 0.000 0.297 546 T C -0.219 174.875 174.700 0.656 0.000 0.997 546 T CA -0.573 61.676 62.100 0.248 0.000 0.949 546 T CB 0.026 68.970 68.868 0.127 0.000 0.941 546 T HN 0.212 nan 8.240 nan 0.000 0.457 547 H N 2.011 121.582 119.070 0.834 0.000 2.547 547 H HA 0.307 4.863 4.556 0.000 0.000 0.362 547 H C 0.055 175.697 175.328 0.523 0.000 1.181 547 H CA -0.760 55.727 56.048 0.731 0.000 1.376 547 H CB 0.876 30.908 29.762 0.449 0.000 1.488 547 H HN 0.389 nan 8.280 nan 0.000 0.583 548 I N 3.410 124.045 120.570 0.108 0.000 2.347 548 I HA 0.094 4.264 4.170 0.000 0.000 0.294 548 I C -1.987 174.100 176.117 -0.051 0.000 1.090 548 I CA -1.632 59.485 61.300 -0.305 0.000 1.314 548 I CB -0.188 37.458 38.000 -0.589 0.000 1.423 548 I HN 0.261 nan 8.210 nan 0.000 0.503 549 P HA -0.060 nan 4.420 nan 0.000 0.266 549 P C 0.849 178.066 177.300 -0.139 0.000 1.193 549 P CA -0.101 62.918 63.100 -0.134 0.000 0.770 549 P CB 0.501 31.938 31.700 -0.439 0.000 0.836 550 E N 2.720 122.973 120.200 0.088 0.000 2.333 550 E HA -0.199 4.151 4.350 0.000 0.000 0.198 550 E C 1.290 177.967 176.600 0.129 0.000 1.007 550 E CA 1.468 57.945 56.400 0.128 0.000 0.845 550 E CB -0.994 28.805 29.700 0.166 0.000 0.766 550 E HN 0.621 nan 8.360 nan 0.000 0.507 551 F N 0.043 120.054 119.950 0.102 0.000 2.615 551 F HA 0.211 4.738 4.527 0.000 0.000 0.297 551 F C 1.523 177.328 175.800 0.009 0.000 1.124 551 F CA -0.015 58.023 58.000 0.064 0.000 1.451 551 F CB -0.285 38.743 39.000 0.047 0.000 1.103 551 F HN -0.142 nan 8.300 nan 0.000 0.569 552 V N 0.523 120.032 119.914 -0.675 0.000 3.646 552 V HA 0.041 4.161 4.120 0.000 0.000 0.277 552 V C 0.732 176.752 176.094 -0.123 0.000 1.274 552 V CA 1.455 63.428 62.300 -0.545 0.000 1.164 552 V CB -1.005 30.378 31.823 -0.733 0.000 0.926 552 V HN 0.588 nan 8.190 nan 0.000 0.442 553 T N -1.373 113.193 114.554 0.022 0.000 3.130 553 T HA 0.033 4.383 4.350 0.000 0.000 0.288 553 T C 1.290 176.038 174.700 0.079 0.000 0.936 553 T CA 0.301 62.492 62.100 0.151 0.000 0.897 553 T CB 0.164 69.075 68.868 0.072 0.000 1.178 553 T HN 0.602 nan 8.240 nan 0.000 0.543 554 D N 1.972 122.427 120.400 0.091 0.000 2.348 554 D HA 0.097 4.737 4.640 0.000 0.000 0.216 554 D C 1.914 178.256 176.300 0.069 0.000 0.970 554 D CA 1.059 55.111 54.000 0.086 0.000 0.889 554 D CB -0.726 40.153 40.800 0.133 0.000 0.912 554 D HN 0.463 nan 8.370 nan 0.000 0.524 555 G N 0.613 109.461 108.800 0.081 0.000 2.220 555 G HA2 -0.343 3.617 3.960 0.000 0.000 0.269 555 G HA3 -0.343 3.617 3.960 0.000 0.000 0.269 555 G C 0.838 175.773 174.900 0.057 0.000 0.977 555 G CA 0.619 45.758 45.100 0.064 0.000 0.634 555 G HN 0.420 nan 8.290 nan 0.000 0.539 556 D N -0.305 120.136 120.400 0.068 0.000 2.213 556 D HA 0.154 4.794 4.640 0.000 0.000 0.205 556 D C 1.326 177.664 176.300 0.063 0.000 0.961 556 D CA 1.119 55.154 54.000 0.059 0.000 0.853 556 D CB 0.371 41.209 40.800 0.063 0.000 0.967 556 D HN 0.388 nan 8.370 nan 0.000 0.496 557 V N 1.283 121.252 119.914 0.091 0.000 2.630 557 V HA 0.262 4.382 4.120 0.000 0.000 0.305 557 V C 0.597 176.731 176.094 0.066 0.000 1.046 557 V CA -0.423 61.934 62.300 0.094 0.000 0.934 557 V CB 2.267 34.193 31.823 0.170 0.000 1.003 557 V HN -0.142 nan 8.190 nan 0.000 0.451 558 M N 0.837 120.466 119.600 0.049 0.000 2.902 558 M HA 0.379 4.859 4.480 0.000 0.000 0.225 558 M C 0.637 176.955 176.300 0.029 0.000 1.711 558 M CA 0.806 56.119 55.300 0.022 0.000 1.213 558 M CB 0.277 32.886 32.600 0.015 0.000 1.265 558 M HN 0.620 nan 8.290 nan 0.000 0.577 559 E N 0.523 120.753 120.200 0.050 0.000 2.349 559 E HA 0.356 4.706 4.350 0.000 0.000 0.265 559 E C -0.897 175.787 176.600 0.139 0.000 1.064 559 E CA -0.154 56.293 56.400 0.079 0.000 0.886 559 E CB 1.726 31.469 29.700 0.072 0.000 1.036 559 E HN 0.106 nan 8.360 nan 0.000 0.413 560 V N 2.354 122.389 119.914 0.201 0.000 3.074 560 V HA 0.477 4.597 4.120 0.000 0.000 0.314 560 V C -1.410 174.960 176.094 0.460 0.000 1.117 560 V CA -0.719 61.754 62.300 0.288 0.000 1.014 560 V CB 1.849 33.835 31.823 0.272 0.000 1.057 560 V HN 0.455 nan 8.190 nan 0.000 0.438 561 F N 2.947 123.026 119.950 0.215 0.000 2.480 561 F HA 0.656 5.183 4.527 -0.000 0.000 0.329 561 F C 0.143 176.146 175.800 0.337 0.000 1.091 561 F CA -0.733 57.407 58.000 0.233 0.000 0.972 561 F CB 2.036 41.146 39.000 0.183 0.000 1.150 561 F HN 0.177 nan 8.300 nan 0.000 0.467 562 V N 5.137 125.238 119.914 0.311 0.000 2.502 562 V HA 0.089 4.209 4.120 0.000 0.000 0.261 562 V C 1.002 177.198 176.094 0.171 0.000 0.996 562 V CA 0.526 63.030 62.300 0.340 0.000 1.095 562 V CB -0.070 31.955 31.823 0.337 0.000 1.325 562 V HN 1.009 nan 8.190 nan 0.000 0.574 563 T N 0.834 115.462 114.554 0.123 0.000 2.731 563 T HA -0.112 4.238 4.350 0.000 0.000 0.263 563 T C 0.855 175.591 174.700 0.059 0.000 1.033 563 T CA 2.117 64.232 62.100 0.025 0.000 1.160 563 T CB -0.184 68.730 68.868 0.076 0.000 0.849 563 T HN 2.207 nan 8.240 nan 0.000 0.469 564 A N 0.018 122.922 122.820 0.140 0.000 2.481 564 A HA 0.540 4.860 4.320 0.000 0.000 0.295 564 A C -1.239 176.444 177.584 0.165 0.000 0.986 564 A CA -0.591 51.520 52.037 0.123 0.000 0.617 564 A CB 0.313 19.366 19.000 0.089 0.000 1.364 564 A HN 1.003 nan 8.150 nan 0.000 0.452 565 I N -1.415 119.210 120.570 0.091 0.000 2.603 565 I HA 0.872 5.042 4.170 0.000 0.000 0.300 565 I C -0.408 175.754 176.117 0.075 0.000 1.017 565 I CA -0.456 60.877 61.300 0.056 0.000 1.098 565 I CB 1.524 39.493 38.000 -0.051 0.000 1.279 565 I HN 0.923 nan 8.210 nan 0.000 0.437 566 E N 3.871 124.140 120.200 0.115 0.000 2.266 566 E HA 0.424 4.774 4.350 0.000 0.000 0.268 566 E C -0.814 175.898 176.600 0.186 0.000 0.879 566 E CA -0.987 55.498 56.400 0.141 0.000 0.762 566 E CB 2.231 32.050 29.700 0.199 0.000 1.199 566 E HN 0.667 nan 8.360 nan 0.000 0.422 567 R N 3.526 124.125 120.500 0.166 0.000 2.458 567 R HA 0.073 4.413 4.340 0.000 0.000 0.303 567 R C -0.379 175.932 176.300 0.019 0.000 1.013 567 R CA 0.350 56.524 56.100 0.124 0.000 1.026 567 R CB 0.242 30.531 30.300 -0.017 0.000 0.948 567 R HN 0.437 nan 8.270 nan 0.000 0.417 568 R N 3.192 123.676 120.500 -0.028 0.000 2.637 568 R HA 0.213 4.553 4.340 0.000 0.000 0.269 568 R C 1.237 177.497 176.300 -0.066 0.000 1.089 568 R CA 0.113 56.189 56.100 -0.039 0.000 1.177 568 R CB 0.502 30.768 30.300 -0.056 0.000 1.091 568 R HN 0.849 nan 8.270 nan 0.000 0.540 569 A N 2.216 125.006 122.820 -0.050 0.000 1.873 569 A HA -0.173 4.147 4.320 0.000 0.000 0.218 569 A C 0.674 178.195 177.584 -0.105 0.000 1.193 569 A CA 1.349 53.350 52.037 -0.060 0.000 0.629 569 A CB -0.187 18.791 19.000 -0.036 0.000 0.826 569 A HN 0.561 nan 8.150 nan 0.000 0.447 570 R N -0.082 120.342 120.500 -0.127 0.000 2.229 570 R HA 0.374 4.714 4.340 0.000 0.000 0.332 570 R C -0.498 175.531 176.300 -0.453 0.000 0.989 570 R CA -0.254 55.682 56.100 -0.272 0.000 0.842 570 R CB 0.793 30.995 30.300 -0.163 0.000 1.119 570 R HN 0.590 nan 8.270 nan 0.000 0.456 571 H N 3.906 122.550 119.070 -0.709 0.000 2.457 571 H HA 0.369 4.925 4.556 0.000 0.000 0.335 571 H C -1.035 173.711 175.328 -0.970 0.000 1.115 571 H CA -0.526 55.095 56.048 -0.711 0.000 1.219 571 H CB 0.835 30.324 29.762 -0.454 0.000 1.471 571 H HN 0.367 nan 8.280 nan 0.000 0.491 572 F N 2.689 122.094 119.950 -0.909 0.000 2.577 572 F HA 0.316 4.843 4.527 0.000 0.000 0.318 572 F C 0.407 175.719 175.800 -0.814 0.000 1.065 572 F CA -0.509 57.109 58.000 -0.636 0.000 0.929 572 F CB 1.274 40.023 39.000 -0.418 0.000 1.237 572 F HN 0.394 nan 8.300 nan 0.000 0.468 573 V N -0.420 119.349 119.914 -0.242 0.000 3.715 573 V HA -0.293 3.827 4.120 0.000 0.000 0.483 573 V C -0.544 175.442 176.094 -0.179 0.000 1.513 573 V CA 0.541 62.734 62.300 -0.177 0.000 2.204 573 V CB -1.011 30.579 31.823 -0.388 0.000 2.201 573 V HN 0.940 nan 8.190 nan 0.000 0.510 574 E N -0.792 119.387 120.200 -0.035 0.000 2.372 574 E HA 0.827 5.177 4.350 0.000 0.000 0.279 574 E C -1.491 175.092 176.600 -0.029 0.000 0.946 574 E CA -0.543 55.953 56.400 0.159 0.000 0.769 574 E CB 1.647 31.456 29.700 0.180 0.000 1.230 574 E HN 0.691 nan 8.360 nan 0.000 0.442 575 L N 3.083 124.315 121.223 0.015 0.000 2.465 575 L HA 0.662 5.002 4.340 0.000 0.000 0.257 575 L C -2.139 174.532 176.870 -0.333 0.000 0.988 575 L CA -2.020 52.649 54.840 -0.285 0.000 0.827 575 L CB 2.003 43.846 42.059 -0.360 0.000 1.397 575 L HN 0.536 nan 8.230 nan 0.000 0.410 576 P HA 0.232 nan 4.420 nan 0.000 0.277 576 P C -0.916 176.187 177.300 -0.329 0.000 1.276 576 P CA -0.737 62.171 63.100 -0.319 0.000 0.788 576 P CB 0.499 32.066 31.700 -0.220 0.000 1.114 577 R N 0.469 120.777 120.500 -0.320 0.000 3.266 577 R HA 0.172 4.512 4.340 0.000 0.000 0.224 577 R C 0.928 177.251 176.300 0.039 0.000 1.525 577 R CA 0.013 55.991 56.100 -0.203 0.000 1.364 577 R CB -1.617 28.513 30.300 -0.283 0.000 1.276 577 R HN 0.383 nan 8.270 nan 0.000 0.660 578 L N 0.272 121.525 121.223 0.050 0.000 2.362 578 L HA -0.024 4.316 4.340 0.000 0.000 0.219 578 L C 1.509 178.616 176.870 0.395 0.000 1.134 578 L CA 0.667 55.696 54.840 0.315 0.000 0.807 578 L CB -0.578 41.684 42.059 0.338 0.000 0.927 578 L HN 0.395 nan 8.230 nan 0.000 0.447 579 N N -0.198 118.646 118.700 0.241 0.000 2.515 579 N HA -0.051 4.689 4.740 0.000 0.000 0.191 579 N C 0.178 175.870 175.510 0.304 0.000 1.182 579 N CA 0.347 53.572 53.050 0.293 0.000 0.879 579 N CB 0.245 38.836 38.487 0.173 0.000 0.984 579 N HN 0.357 nan 8.380 nan 0.000 0.453 580 S N 0.052 115.879 115.700 0.212 0.000 2.546 580 S HA 0.597 5.067 4.470 0.000 0.000 0.274 580 S C -2.977 171.472 174.600 -0.252 0.000 1.121 580 S CA -1.324 56.890 58.200 0.024 0.000 0.887 580 S CB 1.665 64.934 63.200 0.115 0.000 1.094 580 S HN -0.058 nan 8.310 nan 0.000 0.474 581 P HA 0.410 nan 4.420 nan 0.000 0.274 581 P C 0.207 177.294 177.300 -0.354 0.000 1.256 581 P CA 0.930 63.648 63.100 -0.638 0.000 0.795 581 P CB 0.440 31.728 31.700 -0.688 0.000 1.038 582 A N -1.218 121.410 122.820 -0.319 0.000 3.396 582 A HA -0.255 4.065 4.320 0.000 0.000 0.267 582 A C 0.778 177.991 177.584 -0.618 0.000 1.139 582 A CA 1.790 53.556 52.037 -0.452 0.000 1.115 582 A CB -2.880 15.761 19.000 -0.599 0.000 1.133 582 A HN 0.513 nan 8.150 nan 0.000 0.920 583 F N -3.340 116.581 119.950 -0.048 0.000 2.883 583 F HA 0.345 4.872 4.527 0.000 0.000 0.351 583 F C 0.544 176.328 175.800 -0.027 0.000 0.970 583 F CA -0.288 57.687 58.000 -0.041 0.000 1.130 583 F CB 0.448 39.415 39.000 -0.056 0.000 1.015 583 F HN 0.295 nan 8.300 nan 0.000 0.585 584 F N 3.660 123.649 119.950 0.065 0.000 2.504 584 F HA 0.457 4.984 4.527 -0.000 0.000 0.369 584 F C 0.011 175.845 175.800 0.056 0.000 1.082 584 F CA -0.279 57.755 58.000 0.057 0.000 1.216 584 F CB 0.330 39.391 39.000 0.102 0.000 1.108 584 F HN -0.154 nan 8.300 nan 0.000 0.554 585 R N 4.045 123.956 120.500 -0.981 0.000 2.532 585 R HA 0.329 4.669 4.340 0.000 0.000 0.297 585 R C -0.569 175.074 176.300 -1.095 0.000 0.984 585 R CA -0.934 54.742 56.100 -0.708 0.000 0.884 585 R CB 1.637 31.813 30.300 -0.207 0.000 1.182 585 R HN 0.720 nan 8.270 nan 0.000 0.442 586 S N 1.437 116.686 115.700 -0.752 0.000 2.563 586 S HA 0.207 4.677 4.470 0.000 0.000 0.284 586 S C 0.192 174.728 174.600 -0.107 0.000 1.331 586 S CA -0.362 57.657 58.200 -0.300 0.000 1.047 586 S CB 0.641 63.902 63.200 0.101 0.000 0.859 586 S HN 0.309 nan 8.310 nan 0.000 0.514 587 V N 3.842 123.752 119.914 -0.008 0.000 2.531 587 V HA 0.404 4.524 4.120 0.000 0.000 0.301 587 V C -0.215 175.915 176.094 0.060 0.000 1.034 587 V CA -0.821 61.523 62.300 0.074 0.000 0.865 587 V CB 1.635 33.482 31.823 0.039 0.000 0.995 587 V HN 0.984 nan 8.190 nan 0.000 0.424 588 E N 3.211 123.446 120.200 0.058 0.000 2.194 588 E HA 0.463 4.813 4.350 0.000 0.000 0.284 588 E C -1.095 175.414 176.600 -0.152 0.000 1.035 588 E CA -0.400 55.984 56.400 -0.027 0.000 0.836 588 E CB 1.928 31.634 29.700 0.011 0.000 1.070 588 E HN 0.442 nan 8.360 nan 0.000 0.401 589 V N 2.825 122.520 119.914 -0.366 0.000 2.378 589 V HA 0.331 4.451 4.120 0.000 0.000 0.288 589 V C -0.246 175.536 176.094 -0.519 0.000 1.016 589 V CA -0.507 61.435 62.300 -0.597 0.000 0.840 589 V CB 1.463 32.697 31.823 -0.981 0.000 0.994 589 V HN 0.560 nan 8.190 nan 0.000 0.431 590 S N 3.188 118.702 115.700 -0.310 0.000 2.614 590 S HA 0.642 5.112 4.470 0.000 0.000 0.288 590 S C -0.608 173.953 174.600 -0.064 0.000 1.137 590 S CA -0.356 57.766 58.200 -0.129 0.000 0.992 590 S CB 1.799 64.969 63.200 -0.051 0.000 1.026 590 S HN 0.843 nan 8.310 nan 0.000 0.486 591 T N 2.787 117.379 114.554 0.064 0.000 2.807 591 T HA 0.657 5.007 4.350 0.000 0.000 0.279 591 T C -0.543 174.193 174.700 0.060 0.000 0.993 591 T CA -0.219 61.906 62.100 0.042 0.000 0.970 591 T CB 1.476 70.402 68.868 0.096 0.000 0.950 591 T HN 0.567 nan 8.240 nan 0.000 0.441 592 T N 3.951 118.480 114.554 -0.041 0.000 2.912 592 T HA 0.676 5.026 4.350 0.000 0.000 0.288 592 T C -0.598 174.021 174.700 -0.134 0.000 1.030 592 T CA -0.661 61.426 62.100 -0.022 0.000 1.020 592 T CB 0.472 69.393 68.868 0.089 0.000 1.056 592 T HN 0.515 nan 8.240 nan 0.000 0.480 593 I N 4.352 124.857 120.570 -0.108 0.000 2.371 593 I HA 0.271 4.441 4.170 0.000 0.000 0.290 593 I C 0.308 176.504 176.117 0.132 0.000 1.028 593 I CA -0.240 60.998 61.300 -0.104 0.000 1.345 593 I CB 0.730 38.662 38.000 -0.113 0.000 1.407 593 I HN 0.647 nan 8.210 nan 0.000 0.501 594 Y N 2.637 122.863 120.300 -0.123 0.000 2.301 594 Y HA 0.125 4.675 4.550 0.000 0.000 0.295 594 Y C 0.853 176.741 175.900 -0.019 0.000 1.119 594 Y CA 0.317 58.377 58.100 -0.066 0.000 1.162 594 Y CB 0.197 38.613 38.460 -0.074 0.000 1.046 594 Y HN 0.600 nan 8.280 nan 0.000 0.538 595 D N -1.226 119.274 120.400 0.166 0.000 2.812 595 D HA 0.075 4.715 4.640 0.000 0.000 0.210 595 D C -1.448 174.978 176.300 0.209 0.000 1.260 595 D CA -0.045 54.055 54.000 0.168 0.000 0.817 595 D CB 1.947 42.851 40.800 0.173 0.000 1.694 595 D HN 0.027 nan 8.370 nan 0.000 0.530 596 T N 2.164 116.872 114.554 0.257 0.000 2.829 596 T HA 0.591 4.941 4.350 0.000 0.000 0.280 596 T C -0.826 174.180 174.700 0.510 0.000 0.999 596 T CA -0.295 61.989 62.100 0.306 0.000 0.983 596 T CB 0.985 70.006 68.868 0.255 0.000 0.968 596 T HN 0.559 nan 8.240 nan 0.000 0.446 597 H N 1.211 120.481 119.070 0.332 0.000 3.042 597 H HA 0.648 5.204 4.556 -0.000 0.000 0.346 597 H C -2.230 173.167 175.328 0.115 0.000 1.294 597 H CA -0.769 55.519 56.048 0.400 0.000 1.141 597 H CB 0.935 30.869 29.762 0.287 0.000 1.872 597 H HN 0.448 nan 8.280 nan 0.000 0.541 598 V N 2.334 122.213 119.914 -0.057 0.000 2.540 598 V HA 0.322 4.442 4.120 0.000 0.000 0.302 598 V C -0.681 175.460 176.094 0.079 0.000 1.035 598 V CA -0.587 61.540 62.300 -0.287 0.000 0.873 598 V CB 1.560 32.968 31.823 -0.692 0.000 0.992 598 V HN 0.860 nan 8.190 nan 0.000 0.428 599 Q N 4.032 123.883 119.800 0.085 0.000 2.263 599 Q HA 0.850 5.190 4.340 0.000 0.000 0.266 599 Q C -0.957 175.161 176.000 0.198 0.000 1.002 599 Q CA -0.542 55.419 55.803 0.263 0.000 0.790 599 Q CB 2.098 30.997 28.738 0.268 0.000 1.272 599 Q HN 0.792 nan 8.270 nan 0.000 0.435 600 A N 2.078 125.009 122.820 0.185 0.000 2.282 600 A HA 0.911 5.231 4.320 0.000 0.000 0.319 600 A C 1.145 178.819 177.584 0.151 0.000 1.121 600 A CA 0.259 52.405 52.037 0.182 0.000 0.836 600 A CB 0.354 19.416 19.000 0.103 0.000 1.146 600 A HN 1.559 nan 8.150 nan 0.000 0.494 601 G N 0.263 109.158 108.800 0.159 0.000 2.793 601 G HA2 0.213 4.173 3.960 0.000 0.000 0.334 601 G HA3 0.213 4.173 3.960 0.000 0.000 0.334 601 G C 0.621 175.611 174.900 0.149 0.000 1.186 601 G CA 1.771 46.962 45.100 0.152 0.000 0.960 601 G HN 2.821 nan 8.290 nan 0.000 0.562 602 A N 0.053 122.968 122.820 0.158 0.000 1.331 602 A HA 0.644 4.964 4.320 0.000 0.000 0.223 602 A C -0.480 177.249 177.584 0.241 0.000 1.297 602 A CA 0.971 53.100 52.037 0.154 0.000 1.172 602 A CB -0.680 18.401 19.000 0.135 0.000 0.760 602 A HN 2.871 nan 8.150 nan 0.000 0.547 603 H N -0.370 118.735 119.070 0.058 0.000 2.998 603 H HA 0.613 5.169 4.556 0.000 0.000 0.293 603 H C -0.456 174.861 175.328 -0.018 0.000 1.248 603 H CA 0.034 56.095 56.048 0.021 0.000 1.691 603 H CB 0.029 29.805 29.762 0.024 0.000 2.267 603 H HN 2.510 nan 8.280 nan 0.000 0.448 604 A N 1.801 124.620 122.820 -0.001 0.000 2.379 604 A HA 0.019 4.339 4.320 0.000 0.000 0.665 604 A C -0.096 177.311 177.584 -0.295 0.000 0.178 604 A CA 0.399 52.345 52.037 -0.152 0.000 0.125 604 A CB -1.704 17.188 19.000 -0.180 0.000 3.856 604 A HN 1.345 nan 8.150 nan 0.000 0.531 605 V N 1.930 121.682 119.914 -0.270 0.000 3.262 605 V HA 0.786 4.906 4.120 0.000 0.000 0.313 605 V C 0.076 175.894 176.094 -0.461 0.000 1.070 605 V CA -0.673 61.478 62.300 -0.248 0.000 1.049 605 V CB 1.141 32.829 31.823 -0.225 0.000 1.157 605 V HN 0.926 nan 8.190 nan 0.000 0.454 606 Y N -0.138 120.103 120.300 -0.097 0.000 2.326 606 Y HA 0.522 5.072 4.550 -0.000 0.000 0.329 606 Y C -0.032 175.856 175.900 -0.020 0.000 0.973 606 Y CA -0.540 57.546 58.100 -0.022 0.000 1.162 606 Y CB 1.215 39.731 38.460 0.094 0.000 1.147 606 Y HN 0.570 nan 8.280 nan 0.000 0.456 607 H N 2.376 121.603 119.070 0.262 0.000 2.597 607 H HA 0.490 5.046 4.556 0.000 0.000 0.303 607 H C 0.151 175.500 175.328 0.036 0.000 1.057 607 H CA -0.790 55.367 56.048 0.180 0.000 1.261 607 H CB 1.235 31.044 29.762 0.079 0.000 1.397 607 H HN 0.925 nan 8.280 nan 0.000 0.461 608 A N 3.604 126.387 122.820 -0.060 0.000 2.632 608 A HA -0.031 4.289 4.320 0.000 0.000 0.231 608 A C 0.406 177.849 177.584 -0.235 0.000 1.027 608 A CA 0.501 52.203 52.037 -0.559 0.000 0.759 608 A CB -0.138 18.329 19.000 -0.889 0.000 0.939 608 A HN 0.721 nan 8.150 nan 0.000 0.505 609 S N 3.851 119.415 115.700 -0.228 0.000 2.404 609 S HA 0.409 4.879 4.470 0.000 0.000 0.309 609 S C 0.042 174.573 174.600 -0.116 0.000 1.076 609 S CA -0.854 57.280 58.200 -0.110 0.000 1.095 609 S CB 0.876 64.041 63.200 -0.059 0.000 0.972 609 S HN 0.627 nan 8.310 nan 0.000 0.484 610 R N 2.616 123.058 120.500 -0.097 0.000 2.421 610 R HA 0.168 4.508 4.340 0.000 0.000 0.305 610 R C -0.421 175.828 176.300 -0.085 0.000 1.039 610 R CA -0.023 56.025 56.100 -0.088 0.000 1.003 610 R CB 0.341 30.593 30.300 -0.081 0.000 0.959 610 R HN 0.662 nan 8.270 nan 0.000 0.427 611 I N 6.408 126.938 120.570 -0.066 0.000 2.371 611 I HA 0.074 4.244 4.170 0.000 0.000 0.282 611 I C -0.470 175.609 176.117 -0.063 0.000 1.031 611 I CA -0.666 60.598 61.300 -0.059 0.000 1.180 611 I CB 0.471 38.460 38.000 -0.017 0.000 1.336 611 I HN 0.632 nan 8.210 nan 0.000 0.467 612 N N 7.076 125.703 118.700 -0.122 0.000 2.493 612 N HA 0.061 4.801 4.740 0.000 0.000 0.275 612 N C 0.589 176.071 175.510 -0.047 0.000 1.186 612 N CA -0.660 52.321 53.050 -0.114 0.000 0.978 612 N CB 1.326 39.681 38.487 -0.220 0.000 1.184 612 N HN 0.370 nan 8.380 nan 0.000 0.487 613 L N 0.580 121.807 121.223 0.006 0.000 1.961 613 L HA -0.102 4.238 4.340 0.000 0.000 0.210 613 L C 1.232 178.168 176.870 0.109 0.000 1.072 613 L CA 1.849 56.722 54.840 0.055 0.000 0.749 613 L CB -1.253 40.836 42.059 0.050 0.000 0.889 613 L HN 0.636 nan 8.230 nan 0.000 0.432 614 D N -1.860 118.639 120.400 0.164 0.000 2.371 614 D HA -0.155 4.485 4.640 0.000 0.000 0.234 614 D C 1.684 178.131 176.300 0.245 0.000 1.049 614 D CA 0.540 54.649 54.000 0.182 0.000 0.907 614 D CB 0.039 40.921 40.800 0.137 0.000 0.891 614 D HN 0.482 nan 8.370 nan 0.000 0.531 615 Y N -0.233 120.065 120.300 -0.004 0.000 2.510 615 Y HA 0.014 4.564 4.550 0.000 0.000 0.273 615 Y C 2.291 178.183 175.900 -0.012 0.000 1.119 615 Y CA -0.198 57.897 58.100 -0.008 0.000 1.286 615 Y CB 0.682 39.136 38.460 -0.009 0.000 1.061 615 Y HN -0.136 nan 8.280 nan 0.000 0.542 616 V N 0.358 120.367 119.914 0.159 0.000 2.725 616 V HA -0.062 4.058 4.120 0.000 0.000 0.247 616 V C 0.873 176.998 176.094 0.051 0.000 1.058 616 V CA 0.514 62.860 62.300 0.077 0.000 1.080 616 V CB -0.121 31.739 31.823 0.061 0.000 0.713 616 V HN 0.115 nan 8.190 nan 0.000 0.465 617 K N 1.967 122.400 120.400 0.055 0.000 2.397 617 K HA -0.085 4.235 4.320 0.000 0.000 0.263 617 K C -2.209 174.400 176.600 0.014 0.000 1.143 617 K CA -0.568 55.737 56.287 0.029 0.000 1.207 617 K CB 0.147 32.660 32.500 0.021 0.000 0.804 617 K HN 0.334 nan 8.250 nan 0.000 0.494 618 P HA -0.017 nan 4.420 nan 0.000 0.272 618 P C -1.043 176.248 177.300 -0.015 0.000 1.230 618 P CA -0.520 62.583 63.100 0.006 0.000 0.788 618 P CB 0.608 32.311 31.700 0.006 0.000 0.949 619 V N -1.264 118.639 119.914 -0.018 0.000 2.318 619 V HA 0.286 4.406 4.120 0.000 0.000 0.271 619 V C 1.289 177.352 176.094 -0.052 0.000 1.030 619 V CA -0.033 62.250 62.300 -0.028 0.000 0.844 619 V CB 0.446 32.261 31.823 -0.013 0.000 1.015 619 V HN 0.584 nan 8.190 nan 0.000 0.460 620 S N 3.945 119.610 115.700 -0.059 0.000 2.507 620 S HA -0.070 4.400 4.470 0.000 0.000 0.235 620 S C 1.222 175.781 174.600 -0.067 0.000 0.988 620 S CA 0.854 59.008 58.200 -0.077 0.000 0.944 620 S CB -0.725 62.434 63.200 -0.068 0.000 0.762 620 S HN 1.170 nan 8.310 nan 0.000 0.526 621 T N 0.423 114.949 114.554 -0.047 0.000 2.849 621 T HA 0.350 4.700 4.350 0.000 0.000 0.289 621 T C 1.151 175.830 174.700 -0.036 0.000 1.010 621 T CA 0.254 62.333 62.100 -0.035 0.000 1.161 621 T CB 0.030 68.886 68.868 -0.021 0.000 0.989 621 T HN 0.870 nan 8.240 nan 0.000 0.523 622 G N 2.715 111.495 108.800 -0.034 0.000 2.246 622 G HA2 -0.184 3.776 3.960 0.000 0.000 0.273 622 G HA3 -0.184 3.776 3.960 0.000 0.000 0.273 622 G C -0.076 174.797 174.900 -0.044 0.000 1.055 622 G CA 0.211 45.293 45.100 -0.030 0.000 0.851 622 G HN 0.979 nan 8.290 nan 0.000 0.500 623 I N -1.473 119.059 120.570 -0.064 0.000 2.841 623 I HA 0.284 4.454 4.170 0.000 0.000 0.298 623 I C -0.057 176.007 176.117 -0.088 0.000 1.304 623 I CA -0.903 60.344 61.300 -0.087 0.000 1.019 623 I CB 2.318 40.230 38.000 -0.146 0.000 1.282 623 I HN 0.125 nan 8.210 nan 0.000 0.432 624 Q N 5.277 125.024 119.800 -0.088 0.000 2.569 624 Q HA 0.392 4.732 4.340 0.000 0.000 0.226 624 Q C -1.321 174.615 176.000 -0.106 0.000 1.136 624 Q CA -0.355 55.397 55.803 -0.086 0.000 0.947 624 Q CB 1.361 30.055 28.738 -0.074 0.000 1.218 624 Q HN 0.551 nan 8.270 nan 0.000 0.547 625 V N 5.620 125.466 119.914 -0.114 0.000 2.530 625 V HA 0.303 4.423 4.120 0.000 0.000 0.282 625 V C -0.570 175.447 176.094 -0.128 0.000 1.048 625 V CA -0.379 61.841 62.300 -0.133 0.000 0.997 625 V CB 0.740 32.486 31.823 -0.128 0.000 0.987 625 V HN 0.682 nan 8.190 nan 0.000 0.477 626 I N 7.016 127.491 120.570 -0.160 0.000 2.362 626 I HA 0.437 4.607 4.170 0.000 0.000 0.289 626 I C 0.990 176.999 176.117 -0.181 0.000 0.994 626 I CA -0.147 61.055 61.300 -0.163 0.000 1.158 626 I CB 1.275 39.162 38.000 -0.189 0.000 1.315 626 I HN 0.653 nan 8.210 nan 0.000 0.451 627 N N 3.414 122.033 118.700 -0.134 0.000 2.376 627 N HA 0.079 4.819 4.740 0.000 0.000 0.177 627 N C 0.734 176.175 175.510 -0.116 0.000 1.024 627 N CA 0.374 53.354 53.050 -0.116 0.000 0.893 627 N CB 0.865 39.306 38.487 -0.077 0.000 0.980 627 N HN 0.733 nan 8.380 nan 0.000 0.439 628 A N -0.178 122.574 122.820 -0.113 0.000 2.450 628 A HA 0.754 5.074 4.320 0.000 0.000 0.281 628 A C 0.298 177.800 177.584 -0.136 0.000 1.372 628 A CA 0.222 52.205 52.037 -0.090 0.000 0.886 628 A CB 0.475 19.439 19.000 -0.060 0.000 1.462 628 A HN 0.204 nan 8.150 nan 0.000 0.514 629 G N -0.805 107.950 108.800 -0.075 0.000 2.308 629 G HA2 0.456 4.416 3.960 0.000 0.000 0.288 629 G HA3 0.456 4.416 3.960 0.000 0.000 0.288 629 G C -0.322 174.620 174.900 0.070 0.000 1.722 629 G CA 0.094 45.153 45.100 -0.068 0.000 0.924 629 G HN 1.114 nan 8.290 nan 0.000 0.732 630 E N 1.171 121.441 120.200 0.116 0.000 4.166 630 E HA 0.052 4.402 4.350 0.000 0.000 0.527 630 E C 0.127 176.829 176.600 0.169 0.000 1.527 630 E CA 0.282 56.765 56.400 0.139 0.000 3.315 630 E CB 0.199 29.994 29.700 0.158 0.000 1.030 630 E HN 0.846 nan 8.360 nan 0.000 0.482 631 L N -1.097 120.205 121.223 0.133 0.000 3.500 631 L HA 0.176 4.516 4.340 0.000 0.000 0.320 631 L C 1.765 178.653 176.870 0.030 0.000 1.205 631 L CA 0.157 55.025 54.840 0.048 0.000 1.117 631 L CB -0.110 41.934 42.059 -0.026 0.000 1.542 631 L HN 0.402 nan 8.230 nan 0.000 0.622 632 K N 0.758 121.252 120.400 0.156 0.000 2.031 632 K HA 0.056 4.376 4.320 0.000 0.000 0.205 632 K C 1.258 178.119 176.600 0.435 0.000 1.049 632 K CA 1.282 57.711 56.287 0.236 0.000 0.939 632 K CB 0.189 32.803 32.500 0.191 0.000 0.717 632 K HN 0.135 nan 8.250 nan 0.000 0.438 633 N N 0.530 119.481 118.700 0.419 0.000 2.362 633 N HA -0.012 4.728 4.740 0.000 0.000 0.211 633 N C -1.012 174.669 175.510 0.285 0.000 1.170 633 N CA 0.086 53.399 53.050 0.437 0.000 0.828 633 N CB 0.076 38.911 38.487 0.580 0.000 1.034 633 N HN 0.088 nan 8.380 nan 0.000 0.475 634 Y N -0.896 119.395 120.300 -0.015 0.000 2.783 634 Y HA -0.254 4.296 4.550 0.000 0.000 0.114 634 Y C -0.658 175.036 175.900 -0.343 0.000 1.818 634 Y CA 0.008 58.030 58.100 -0.130 0.000 1.160 634 Y CB -2.066 36.295 38.460 -0.164 0.000 1.792 634 Y HN 0.164 nan 8.280 nan 0.000 0.304 635 W N 1.937 123.312 121.300 0.125 0.000 2.835 635 W HA 0.589 5.249 4.660 0.000 0.000 0.326 635 W C 0.491 177.029 176.519 0.031 0.000 1.024 635 W CA 0.117 57.511 57.345 0.082 0.000 1.267 635 W CB 1.764 31.259 29.460 0.057 0.000 1.267 635 W HN 0.817 nan 8.180 nan 0.000 0.412 636 G N 1.151 110.103 108.800 0.253 0.000 2.553 636 G HA2 0.444 4.404 3.960 0.000 0.000 0.106 636 G HA3 0.444 4.404 3.960 0.000 0.000 0.106 636 G C -0.761 174.201 174.900 0.105 0.000 1.126 636 G CA -0.078 45.109 45.100 0.145 0.000 1.075 636 G HN 0.901 nan 8.290 nan 0.000 0.472 637 S N -1.818 113.912 115.700 0.050 0.000 2.578 637 S HA 0.547 5.017 4.470 0.000 0.000 0.285 637 S C -1.128 173.467 174.600 -0.010 0.000 1.126 637 S CA 0.147 58.368 58.200 0.035 0.000 0.878 637 S CB 1.327 64.570 63.200 0.071 0.000 1.091 637 S HN 2.041 nan 8.310 nan 0.000 0.450 638 V N 2.892 122.782 119.914 -0.040 0.000 2.508 638 V HA 0.639 4.759 4.120 0.000 0.000 0.281 638 V C 0.266 176.325 176.094 -0.058 0.000 1.041 638 V CA 0.144 62.396 62.300 -0.080 0.000 1.016 638 V CB 0.682 32.420 31.823 -0.141 0.000 0.984 638 V HN 1.034 nan 8.190 nan 0.000 0.478 639 R N 6.011 126.476 120.500 -0.059 0.000 2.740 639 R HA 0.539 4.879 4.340 0.000 0.000 0.282 639 R C -0.251 176.013 176.300 -0.061 0.000 0.969 639 R CA -0.836 55.239 56.100 -0.042 0.000 0.918 639 R CB 1.226 31.512 30.300 -0.024 0.000 1.175 639 R HN 0.796 nan 8.270 nan 0.000 0.464 640 R N 2.270 122.742 120.500 -0.046 0.000 2.340 640 R HA 0.250 4.590 4.340 0.000 0.000 0.300 640 R C -0.958 175.318 176.300 -0.041 0.000 1.069 640 R CA 0.108 56.180 56.100 -0.048 0.000 0.984 640 R CB 0.794 31.081 30.300 -0.022 0.000 1.003 640 R HN 0.895 nan 8.270 nan 0.000 0.459 641 T N 1.210 115.729 114.554 -0.057 0.000 2.773 641 T HA 0.166 4.516 4.350 0.000 0.000 0.278 641 T C 0.426 175.115 174.700 -0.019 0.000 1.011 641 T CA -0.950 61.126 62.100 -0.040 0.000 1.014 641 T CB 1.162 69.996 68.868 -0.056 0.000 1.293 641 T HN 0.503 nan 8.240 nan 0.000 0.554 642 Q N -0.193 119.601 119.800 -0.009 0.000 2.482 642 Q HA 0.122 4.462 4.340 0.000 0.000 0.209 642 Q C 1.332 177.342 176.000 0.018 0.000 0.961 642 Q CA 0.814 56.625 55.803 0.013 0.000 0.945 642 Q CB -0.532 28.212 28.738 0.011 0.000 1.012 642 Q HN 0.654 nan 8.270 nan 0.000 0.515 643 Q N -0.819 118.971 119.800 -0.017 0.000 2.462 643 Q HA 0.446 4.786 4.340 0.000 0.000 0.224 643 Q C 1.208 177.165 176.000 -0.071 0.000 0.911 643 Q CA 0.945 56.735 55.803 -0.022 0.000 0.925 643 Q CB 0.394 29.101 28.738 -0.053 0.000 1.063 643 Q HN 0.278 nan 8.270 nan 0.000 0.572 644 G N 0.097 108.750 108.800 -0.245 0.000 3.468 644 G HA2 0.415 4.375 3.960 0.000 0.000 0.116 644 G HA3 0.415 4.375 3.960 0.000 0.000 0.116 644 G C -1.329 173.270 174.900 -0.502 0.000 1.119 644 G CA 0.035 44.658 45.100 -0.795 0.000 1.377 644 G HN 0.327 nan 8.290 nan 0.000 0.601 645 L N -2.561 118.431 121.223 -0.386 0.000 2.921 645 L HA 0.796 5.136 4.340 0.000 0.000 0.261 645 L C -0.708 176.055 176.870 -0.179 0.000 0.984 645 L CA -0.394 54.310 54.840 -0.227 0.000 0.951 645 L CB 1.396 43.332 42.059 -0.205 0.000 1.495 645 L HN 1.319 nan 8.230 nan 0.000 0.414 646 G N 0.528 109.249 108.800 -0.131 0.000 2.704 646 G HA2 0.598 4.558 3.960 0.000 0.000 0.293 646 G HA3 0.598 4.558 3.960 0.000 0.000 0.293 646 G C -1.436 173.406 174.900 -0.098 0.000 1.421 646 G CA -0.797 44.236 45.100 -0.110 0.000 0.870 646 G HN 0.555 nan 8.290 nan 0.000 0.492 647 V N 0.341 120.195 119.914 -0.099 0.000 2.555 647 V HA 0.502 4.622 4.120 0.000 0.000 0.286 647 V C 0.235 176.285 176.094 -0.073 0.000 1.044 647 V CA -0.298 61.944 62.300 -0.097 0.000 1.026 647 V CB 0.998 32.744 31.823 -0.127 0.000 0.981 647 V HN 0.719 nan 8.190 nan 0.000 0.480 648 V N 4.517 124.399 119.914 -0.053 0.000 2.841 648 V HA 0.869 4.989 4.120 0.000 0.000 0.310 648 V C 0.464 176.554 176.094 -0.008 0.000 1.090 648 V CA 0.029 62.310 62.300 -0.030 0.000 0.930 648 V CB 2.083 33.894 31.823 -0.021 0.000 1.014 648 V HN 0.972 nan 8.190 nan 0.000 0.425 649 G N 3.820 112.623 108.800 0.004 0.000 2.606 649 G HA2 0.331 4.291 3.960 0.000 0.000 0.252 649 G HA3 0.331 4.291 3.960 0.000 0.000 0.252 649 G C 0.843 175.770 174.900 0.046 0.000 1.206 649 G CA -0.056 45.066 45.100 0.036 0.000 0.861 649 G HN 1.511 nan 8.290 nan 0.000 0.561 650 L N -0.230 121.037 121.223 0.073 0.000 2.456 650 L HA 0.171 4.511 4.340 0.000 0.000 0.224 650 L C 1.289 178.175 176.870 0.026 0.000 1.148 650 L CA 0.721 55.596 54.840 0.059 0.000 0.825 650 L CB -1.614 40.491 42.059 0.076 0.000 0.937 650 L HN 1.022 nan 8.230 nan 0.000 0.450 651 T N 0.000 114.566 114.554 0.020 0.000 3.816 651 T HA 0.000 4.350 4.350 0.000 0.000 0.228 651 T CA 0.000 62.103 62.100 0.004 0.000 1.349 651 T CB 0.000 68.870 68.868 0.004 0.000 0.612 651 T HN 0.000 nan 8.240 nan 0.000 0.658