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 3d5k_1_B DATA FIRST_RESID 2 DATA SEQUENCE SLIPDYQRPE APVAAAYPQG QAYGQNTGAA AVPAADIGWR EFFRDPQLQQ DATA SEQUENCE LIGVALENNR DLRVAALNVE AFRAQYRIQR ADLFPRIGVD GSGTRQRLPG DATA SEQUENCE DLSTTGSPAI SSQYGVTLGT TAWELDLFGR LRSLRDQALE QYLATEQAQR DATA SEQUENCE SAQTTLVASV ATAYLTLKAD QAQLQLTKDT LGTYQKSFDL TQRSYDVGVA DATA SEQUENCE SALDLRQAQT AVEGARATLA QYTRLVAQDQ NALVLLLGSG IPANLPQGLG DATA SEQUENCE LDQTLLTEVP AGLPSDLLQR RPDILEAEHQ LMAANASIGA ARAAFFPSIS DATA SEQUENCE LTANAGTMSR QLSGLFDAGS GSWLFQPSIN LPIFTAGSLR ASLDYAKIQK DATA SEQUENCE DINVAQYEKA IQTAFQEVAD GLAARGTFTE QLQAQRDLVK ASDEYYQLAD DATA SEQUENCE KRYRTGVDNY LTLLDAQRSL FTAQQQLITD RLNQLTSEVN LYKALGGGWN DATA SEQUENCE QQTV 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.582 174.600 -0.030 0.000 1.055 2 S CA 0.000 58.180 58.200 -0.034 0.000 1.107 2 S CB 0.000 63.193 63.200 -0.011 0.000 0.593 3 L N 1.334 122.548 121.223 -0.015 0.000 2.818 3 L HA 0.479 4.818 4.340 -0.002 0.000 0.243 3 L C -0.149 176.736 176.870 0.025 0.000 1.185 3 L CA -0.185 54.652 54.840 -0.005 0.000 0.988 3 L CB -0.042 42.012 42.059 -0.008 0.000 1.292 3 L HN 0.606 nan 8.230 nan 0.000 0.519 4 I N 2.069 122.655 120.570 0.025 0.000 2.587 4 I HA 0.067 4.236 4.170 -0.002 0.000 0.284 4 I C -1.652 174.486 176.117 0.035 0.000 1.134 4 I CA -1.553 59.768 61.300 0.035 0.000 1.410 4 I CB 0.321 38.341 38.000 0.034 0.000 1.392 4 I HN -0.059 nan 8.210 nan 0.000 0.545 5 P HA 0.038 nan 4.420 nan 0.000 0.270 5 P C -0.799 176.531 177.300 0.049 0.000 1.223 5 P CA -0.285 62.838 63.100 0.038 0.000 0.785 5 P CB 0.397 32.120 31.700 0.037 0.000 0.923 6 D N 0.262 120.685 120.400 0.039 0.000 2.399 6 D HA -0.002 4.637 4.640 -0.002 0.000 0.241 6 D C -0.342 176.005 176.300 0.078 0.000 1.133 6 D CA 0.507 54.536 54.000 0.050 0.000 0.890 6 D CB 0.234 41.045 40.800 0.018 0.000 1.201 6 D HN 0.327 nan 8.370 nan 0.000 0.432 7 Y N 1.194 121.474 120.300 -0.032 0.000 2.323 7 Y HA 0.284 4.833 4.550 -0.002 0.000 0.331 7 Y C -0.485 175.383 175.900 -0.053 0.000 1.092 7 Y CA -0.572 57.498 58.100 -0.050 0.000 1.150 7 Y CB 1.164 39.587 38.460 -0.063 0.000 1.200 7 Y HN 0.157 nan 8.280 nan 0.000 0.472 8 Q N 5.531 124.820 119.800 -0.853 0.000 2.275 8 Q HA 0.310 4.649 4.340 -0.002 0.000 0.266 8 Q C -1.123 174.286 176.000 -0.984 0.000 1.002 8 Q CA -0.709 54.656 55.803 -0.730 0.000 0.761 8 Q CB 1.058 29.597 28.738 -0.331 0.000 1.255 8 Q HN 0.789 nan 8.270 nan 0.000 0.446 9 R N 4.619 124.602 120.500 -0.863 0.000 2.480 9 R HA 0.175 4.514 4.340 -0.002 0.000 0.303 9 R C -1.974 174.198 176.300 -0.213 0.000 0.985 9 R CA -0.932 54.885 56.100 -0.472 0.000 1.051 9 R CB 0.177 30.382 30.300 -0.159 0.000 0.935 9 R HN 0.449 nan 8.270 nan 0.000 0.410 10 P HA -0.015 nan 4.420 nan 0.000 0.269 10 P C -0.830 176.515 177.300 0.074 0.000 1.215 10 P CA 0.012 63.122 63.100 0.017 0.000 0.780 10 P CB 0.511 32.284 31.700 0.121 0.000 0.898 11 E N 0.723 120.935 120.200 0.019 0.000 2.392 11 E HA 0.192 4.541 4.350 -0.002 0.000 0.264 11 E C 0.101 176.702 176.600 0.001 0.000 1.024 11 E CA -0.033 56.369 56.400 0.003 0.000 0.903 11 E CB 0.374 30.059 29.700 -0.025 0.000 0.963 11 E HN 0.434 nan 8.360 nan 0.000 0.432 12 A N 5.100 127.907 122.820 -0.021 0.000 2.484 12 A HA 0.189 4.508 4.320 -0.002 0.000 0.268 12 A C -1.583 175.940 177.584 -0.102 0.000 1.114 12 A CA -0.990 51.004 52.037 -0.072 0.000 0.780 12 A CB -0.173 18.785 19.000 -0.070 0.000 1.061 12 A HN 0.303 nan 8.150 nan 0.000 0.505 13 P HA 0.204 nan 4.420 nan 0.000 0.228 13 P C -0.343 176.838 177.300 -0.199 0.000 1.764 13 P CA 0.174 63.195 63.100 -0.131 0.000 0.929 13 P CB -0.655 30.982 31.700 -0.105 0.000 1.675 14 V N -3.649 116.114 119.914 -0.252 0.000 3.126 14 V HA 0.915 5.034 4.120 -0.002 0.000 0.314 14 V C -0.021 175.829 176.094 -0.407 0.000 1.138 14 V CA -1.754 60.272 62.300 -0.457 0.000 1.034 14 V CB 1.297 32.758 31.823 -0.603 0.000 1.075 14 V HN 0.118 nan 8.190 nan 0.000 0.442 15 A N 0.665 123.148 122.820 -0.561 0.000 2.386 15 A HA 0.716 5.035 4.320 -0.002 0.000 0.248 15 A C 1.471 178.951 177.584 -0.174 0.000 1.082 15 A CA 0.218 52.077 52.037 -0.297 0.000 0.789 15 A CB 0.494 19.357 19.000 -0.228 0.000 1.025 15 A HN 2.085 nan 8.150 nan 0.000 0.490 16 A N 1.005 123.759 122.820 -0.111 0.000 2.014 16 A HA 0.428 4.747 4.320 -0.002 0.000 0.218 16 A C 1.228 178.752 177.584 -0.101 0.000 1.163 16 A CA 1.670 53.653 52.037 -0.090 0.000 0.652 16 A CB -0.440 18.518 19.000 -0.069 0.000 0.808 16 A HN 1.921 nan 8.150 nan 0.000 0.449 17 A N -1.927 120.848 122.820 -0.074 0.000 2.423 17 A HA 0.670 4.989 4.320 -0.002 0.000 0.304 17 A C -0.758 176.805 177.584 -0.034 0.000 1.104 17 A CA -0.729 51.251 52.037 -0.096 0.000 0.757 17 A CB 0.439 19.418 19.000 -0.034 0.000 1.313 17 A HN 0.246 nan 8.150 nan 0.000 0.423 18 Y N 0.790 121.111 120.300 0.035 0.000 2.357 18 Y HA 0.306 4.855 4.550 -0.002 0.000 0.340 18 Y C -1.688 174.114 175.900 -0.162 0.000 1.260 18 Y CA -1.080 56.960 58.100 -0.100 0.000 1.425 18 Y CB 0.169 38.492 38.460 -0.228 0.000 1.326 18 Y HN 0.448 nan 8.280 nan 0.000 0.580 19 P HA 0.028 nan 4.420 nan 0.000 0.270 19 P C -1.000 175.898 177.300 -0.670 0.000 1.223 19 P CA -0.025 62.801 63.100 -0.457 0.000 0.785 19 P CB 0.561 31.825 31.700 -0.726 0.000 0.923 20 Q N 0.379 119.966 119.800 -0.356 0.000 2.451 20 Q HA 0.760 5.099 4.340 -0.002 0.000 0.281 20 Q C 0.097 176.144 176.000 0.079 0.000 1.099 20 Q CA -0.536 55.206 55.803 -0.102 0.000 0.806 20 Q CB 2.670 31.399 28.738 -0.016 0.000 1.419 20 Q HN 0.759 nan 8.270 nan 0.000 0.427 21 G N 0.019 108.941 108.800 0.204 0.000 2.339 21 G HA2 -0.096 3.863 3.960 -0.002 0.000 0.275 21 G HA3 -0.096 3.863 3.960 -0.002 0.000 0.275 21 G C -0.105 174.897 174.900 0.170 0.000 1.323 21 G CA -0.456 44.759 45.100 0.192 0.000 0.927 21 G HN 0.436 nan 8.290 nan 0.000 0.486 22 Q N -0.507 119.353 119.800 0.101 0.000 2.135 22 Q HA -0.043 4.296 4.340 -0.002 0.000 0.204 22 Q C 2.717 178.708 176.000 -0.016 0.000 0.981 22 Q CA 2.301 58.125 55.803 0.034 0.000 0.856 22 Q CB -0.136 28.607 28.738 0.009 0.000 0.902 22 Q HN 0.792 nan 8.270 nan 0.000 0.425 23 A N -0.663 122.112 122.820 -0.074 0.000 2.195 23 A HA 0.077 4.396 4.320 -0.002 0.000 0.210 23 A C -0.200 177.148 177.584 -0.395 0.000 1.165 23 A CA 0.005 51.867 52.037 -0.291 0.000 0.806 23 A CB 0.250 18.973 19.000 -0.462 0.000 0.847 23 A HN 0.220 nan 8.150 nan 0.000 0.482 24 Y N -0.232 120.066 120.300 -0.005 0.000 2.335 24 Y HA 0.543 5.091 4.550 -0.002 0.000 0.338 24 Y C 1.124 177.027 175.900 0.006 0.000 0.977 24 Y CA -0.814 57.286 58.100 0.000 0.000 1.114 24 Y CB 1.203 39.670 38.460 0.011 0.000 1.182 24 Y HN 0.148 nan 8.280 nan 0.000 0.463 25 G N 1.953 110.834 108.800 0.136 0.000 2.634 25 G HA2 0.113 4.072 3.960 -0.002 0.000 0.255 25 G HA3 0.113 4.072 3.960 -0.002 0.000 0.255 25 G C -0.461 174.503 174.900 0.106 0.000 1.205 25 G CA -0.663 44.493 45.100 0.094 0.000 0.884 25 G HN 0.472 nan 8.290 nan 0.000 0.549 26 Q N 0.519 120.363 119.800 0.074 0.000 2.315 26 Q HA -0.025 4.314 4.340 -0.002 0.000 0.289 26 Q C 0.373 176.413 176.000 0.068 0.000 1.044 26 Q CA 0.079 55.921 55.803 0.065 0.000 0.920 26 Q CB 0.354 29.120 28.738 0.047 0.000 1.214 26 Q HN 0.454 nan 8.270 nan 0.000 0.392 27 N N 1.097 119.838 118.700 0.069 0.000 2.407 27 N HA -0.067 4.672 4.740 -0.002 0.000 0.250 27 N C 0.735 176.285 175.510 0.067 0.000 1.236 27 N CA 0.384 53.482 53.050 0.080 0.000 0.879 27 N CB 0.659 39.197 38.487 0.084 0.000 1.088 27 N HN 0.476 nan 8.380 nan 0.000 0.450 28 T N 0.750 115.349 114.554 0.074 0.000 3.065 28 T HA 0.209 4.558 4.350 -0.002 0.000 0.252 28 T C 0.845 175.578 174.700 0.055 0.000 1.099 28 T CA 0.641 62.776 62.100 0.058 0.000 1.063 28 T CB -0.416 68.484 68.868 0.054 0.000 0.948 28 T HN 0.825 nan 8.240 nan 0.000 0.506 29 G N 1.158 109.996 108.800 0.063 0.000 2.645 29 G HA2 -0.014 3.945 3.960 -0.002 0.000 0.246 29 G HA3 -0.014 3.945 3.960 -0.002 0.000 0.246 29 G C 0.167 175.098 174.900 0.051 0.000 1.322 29 G CA -0.499 44.631 45.100 0.049 0.000 0.898 29 G HN 0.920 nan 8.290 nan 0.000 0.573 30 A N -0.264 122.578 122.820 0.036 0.000 2.565 30 A HA 0.619 4.938 4.320 -0.002 0.000 0.237 30 A C 0.962 178.569 177.584 0.039 0.000 1.053 30 A CA 1.558 53.616 52.037 0.035 0.000 0.755 30 A CB -0.105 18.909 19.000 0.024 0.000 0.980 30 A HN 2.508 nan 8.150 nan 0.000 0.506 31 A N 2.242 125.088 122.820 0.043 0.000 2.260 31 A HA 0.609 4.928 4.320 -0.002 0.000 0.308 31 A C 1.211 178.815 177.584 0.034 0.000 1.254 31 A CA 0.085 52.147 52.037 0.041 0.000 0.874 31 A CB 0.470 19.499 19.000 0.048 0.000 1.153 31 A HN 1.890 nan 8.150 nan 0.000 0.527 32 A N 2.586 125.423 122.820 0.030 0.000 1.877 32 A HA 0.164 4.483 4.320 -0.002 0.000 0.216 32 A C 0.825 178.426 177.584 0.028 0.000 1.186 32 A CA 1.671 53.723 52.037 0.026 0.000 0.620 32 A CB -0.307 18.706 19.000 0.022 0.000 0.822 32 A HN 1.004 nan 8.150 nan 0.000 0.443 33 V N 1.869 121.802 119.914 0.030 0.000 2.275 33 V HA 0.285 4.404 4.120 -0.002 0.000 0.272 33 V C -2.626 173.492 176.094 0.041 0.000 1.028 33 V CA -1.714 60.606 62.300 0.034 0.000 0.810 33 V CB 0.773 32.614 31.823 0.031 0.000 1.043 33 V HN 0.205 nan 8.190 nan 0.000 0.453 34 P HA 0.168 nan 4.420 nan 0.000 0.269 34 P C 0.993 178.321 177.300 0.047 0.000 1.215 34 P CA 0.015 63.141 63.100 0.043 0.000 0.780 34 P CB 0.959 32.682 31.700 0.038 0.000 0.898 35 A N 3.091 125.936 122.820 0.042 0.000 1.927 35 A HA -0.250 4.069 4.320 -0.002 0.000 0.220 35 A C 2.139 179.741 177.584 0.031 0.000 1.185 35 A CA 2.411 54.479 52.037 0.052 0.000 0.639 35 A CB -1.720 17.290 19.000 0.016 0.000 0.820 35 A HN 0.578 nan 8.150 nan 0.000 0.451 36 A N -0.482 122.334 122.820 -0.008 0.000 1.972 36 A HA -0.164 4.155 4.320 -0.002 0.000 0.219 36 A C 1.603 179.227 177.584 0.067 0.000 1.169 36 A CA 1.882 53.915 52.037 -0.006 0.000 0.635 36 A CB -0.488 18.513 19.000 0.002 0.000 0.810 36 A HN 0.447 nan 8.150 nan 0.000 0.446 37 D N -0.628 119.814 120.400 0.070 0.000 2.355 37 D HA 0.146 4.785 4.640 -0.002 0.000 0.218 37 D C 0.292 176.639 176.300 0.079 0.000 1.004 37 D CA 0.305 54.352 54.000 0.077 0.000 0.880 37 D CB -0.026 40.809 40.800 0.059 0.000 0.911 37 D HN 0.459 nan 8.370 nan 0.000 0.528 38 I N 0.550 121.185 120.570 0.108 0.000 2.396 38 I HA 0.281 4.450 4.170 -0.002 0.000 0.292 38 I C 1.210 177.425 176.117 0.164 0.000 0.999 38 I CA -0.745 60.627 61.300 0.119 0.000 1.310 38 I CB 1.718 39.799 38.000 0.134 0.000 1.404 38 I HN -0.166 nan 8.210 nan 0.000 0.496 39 G N 5.605 114.445 108.800 0.067 0.000 2.467 39 G HA2 0.048 4.007 3.960 -0.002 0.000 0.257 39 G HA3 0.048 4.007 3.960 -0.002 0.000 0.257 39 G C 0.734 175.688 174.900 0.089 0.000 1.227 39 G CA -0.502 44.597 45.100 -0.002 0.000 0.835 39 G HN 0.974 nan 8.290 nan 0.000 0.556 40 W N 2.385 123.821 121.300 0.227 0.000 2.392 40 W HA -0.085 4.574 4.660 -0.002 0.000 0.279 40 W C 1.585 178.270 176.519 0.276 0.000 1.225 40 W CA 0.304 57.837 57.345 0.313 0.000 1.233 40 W CB -0.437 29.346 29.460 0.538 0.000 1.122 40 W HN 0.557 nan 8.180 nan 0.000 0.561 41 R N 1.542 121.883 120.500 -0.265 0.000 2.193 41 R HA -0.162 4.177 4.340 -0.002 0.000 0.229 41 R C 2.175 178.429 176.300 -0.076 0.000 1.110 41 R CA 2.059 58.018 56.100 -0.236 0.000 0.988 41 R CB -0.516 29.473 30.300 -0.518 0.000 0.871 41 R HN 0.414 nan 8.270 nan 0.000 0.458 42 E N -1.651 118.511 120.200 -0.064 0.000 2.166 42 E HA -0.077 4.272 4.350 -0.002 0.000 0.192 42 E C 1.346 177.916 176.600 -0.050 0.000 0.967 42 E CA 0.282 56.654 56.400 -0.046 0.000 0.840 42 E CB -0.161 29.517 29.700 -0.036 0.000 0.795 42 E HN 0.292 nan 8.360 nan 0.000 0.470 43 F N 0.743 120.521 119.950 -0.286 0.000 2.060 43 F HA 0.037 4.563 4.527 -0.002 0.000 0.295 43 F C 0.211 175.711 175.800 -0.500 0.000 1.120 43 F CA 1.022 58.679 58.000 -0.571 0.000 1.205 43 F CB -0.093 38.178 39.000 -1.214 0.000 0.986 43 F HN -0.149 nan 8.300 nan 0.000 0.470 44 F N 1.040 120.934 119.950 -0.092 0.000 2.445 44 F HA 0.304 4.829 4.527 -0.002 0.000 0.359 44 F C 1.310 177.050 175.800 -0.101 0.000 1.101 44 F CA -0.268 57.648 58.000 -0.141 0.000 1.177 44 F CB 0.764 39.793 39.000 0.049 0.000 1.110 44 F HN -0.195 nan 8.300 nan 0.000 0.522 45 R N 0.006 120.517 120.500 0.018 0.000 2.265 45 R HA -0.001 4.338 4.340 -0.002 0.000 0.194 45 R C 0.038 176.350 176.300 0.020 0.000 0.931 45 R CA 0.003 56.098 56.100 -0.009 0.000 1.032 45 R CB 0.097 30.360 30.300 -0.062 0.000 0.980 45 R HN 0.486 nan 8.270 nan 0.000 0.497 46 D N 2.036 122.462 120.400 0.044 0.000 2.358 46 D HA 0.016 4.655 4.640 -0.002 0.000 0.258 46 D C -1.528 174.776 176.300 0.006 0.000 1.223 46 D CA -2.020 51.999 54.000 0.031 0.000 0.886 46 D CB 1.520 42.352 40.800 0.054 0.000 1.120 46 D HN -0.037 nan 8.370 nan 0.000 0.482 47 P HA -0.143 nan 4.420 nan 0.000 0.221 47 P C 1.292 178.576 177.300 -0.027 0.000 1.150 47 P CA 0.869 63.969 63.100 0.000 0.000 0.800 47 P CB 0.407 32.108 31.700 0.003 0.000 0.787 48 Q N -0.312 119.458 119.800 -0.051 0.000 2.046 48 Q HA -0.148 4.191 4.340 -0.002 0.000 0.200 48 Q C 2.173 178.019 176.000 -0.257 0.000 0.975 48 Q CA 1.065 56.811 55.803 -0.095 0.000 0.836 48 Q CB -0.636 28.091 28.738 -0.018 0.000 0.896 48 Q HN 0.031 nan 8.270 nan 0.000 0.428 49 L N 1.111 122.051 121.223 -0.472 0.000 2.042 49 L HA -0.229 4.110 4.340 -0.002 0.000 0.210 49 L C 2.156 178.834 176.870 -0.320 0.000 1.076 49 L CA 1.895 56.334 54.840 -0.668 0.000 0.749 49 L CB -0.568 41.022 42.059 -0.783 0.000 0.893 49 L HN 0.310 nan 8.230 nan 0.000 0.432 50 Q N -0.971 118.776 119.800 -0.089 0.000 2.061 50 Q HA -0.314 4.025 4.340 -0.002 0.000 0.204 50 Q C 2.314 178.408 176.000 0.157 0.000 0.984 50 Q CA 2.230 58.141 55.803 0.180 0.000 0.846 50 Q CB -0.263 28.593 28.738 0.197 0.000 0.902 50 Q HN 0.671 nan 8.270 nan 0.000 0.421 51 Q N 0.526 120.345 119.800 0.031 0.000 2.050 51 Q HA -0.165 4.174 4.340 -0.002 0.000 0.202 51 Q C 2.073 178.049 176.000 -0.040 0.000 0.980 51 Q CA 1.103 56.916 55.803 0.017 0.000 0.840 51 Q CB -0.038 28.695 28.738 -0.007 0.000 0.898 51 Q HN 0.364 nan 8.270 nan 0.000 0.424 52 L N 0.156 121.306 121.223 -0.122 0.000 2.079 52 L HA -0.218 4.121 4.340 -0.002 0.000 0.210 52 L C 2.316 179.068 176.870 -0.196 0.000 1.081 52 L CA 0.961 55.707 54.840 -0.156 0.000 0.752 52 L CB -0.357 41.570 42.059 -0.219 0.000 0.896 52 L HN 0.334 nan 8.230 nan 0.000 0.433 53 I N -0.357 120.044 120.570 -0.281 0.000 2.252 53 I HA -0.198 3.970 4.170 -0.002 0.000 0.245 53 I C 2.630 178.515 176.117 -0.387 0.000 1.102 53 I CA 1.372 62.399 61.300 -0.454 0.000 1.385 53 I CB -0.818 36.698 38.000 -0.807 0.000 1.064 53 I HN 0.272 nan 8.210 nan 0.000 0.414 54 G N 0.447 109.147 108.800 -0.167 0.000 2.442 54 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.219 54 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.219 54 G C 1.693 176.578 174.900 -0.025 0.000 1.141 54 G CA 0.935 46.047 45.100 0.021 0.000 0.763 54 G HN 0.260 nan 8.290 nan 0.000 0.554 55 V N 1.270 121.153 119.914 -0.051 0.000 2.358 55 V HA -0.067 4.052 4.120 -0.002 0.000 0.246 55 V C 3.273 179.332 176.094 -0.057 0.000 1.047 55 V CA 1.883 64.158 62.300 -0.042 0.000 1.035 55 V CB -0.663 31.136 31.823 -0.040 0.000 0.658 55 V HN 0.473 nan 8.190 nan 0.000 0.452 56 A N -0.090 122.671 122.820 -0.098 0.000 1.898 56 A HA -0.115 4.204 4.320 -0.002 0.000 0.216 56 A C 2.182 179.715 177.584 -0.084 0.000 1.181 56 A CA 1.524 53.503 52.037 -0.097 0.000 0.620 56 A CB -0.509 18.409 19.000 -0.137 0.000 0.819 56 A HN 0.503 nan 8.150 nan 0.000 0.442 57 L N -0.935 120.225 121.223 -0.106 0.000 2.127 57 L HA -0.179 4.160 4.340 -0.002 0.000 0.211 57 L C 2.575 179.436 176.870 -0.016 0.000 1.089 57 L CA 1.760 56.560 54.840 -0.065 0.000 0.757 57 L CB -0.424 41.594 42.059 -0.069 0.000 0.899 57 L HN 0.539 nan 8.230 nan 0.000 0.434 58 E N -0.417 119.775 120.200 -0.012 0.000 2.318 58 E HA -0.073 4.276 4.350 -0.002 0.000 0.193 58 E C 1.401 178.002 176.600 0.002 0.000 0.998 58 E CA 0.316 56.719 56.400 0.004 0.000 0.859 58 E CB 0.410 30.116 29.700 0.009 0.000 0.812 58 E HN 0.516 nan 8.360 nan 0.000 0.492 59 N N 0.404 119.099 118.700 -0.008 0.000 2.397 59 N HA -0.048 4.691 4.740 -0.002 0.000 0.190 59 N C 0.320 175.827 175.510 -0.006 0.000 1.099 59 N CA -0.102 52.945 53.050 -0.006 0.000 0.876 59 N CB 0.160 38.641 38.487 -0.009 0.000 1.143 59 N HN 0.046 nan 8.380 nan 0.000 0.468 60 N N 2.415 121.107 118.700 -0.013 0.000 2.447 60 N HA -0.037 4.702 4.740 -0.002 0.000 0.263 60 N C 0.781 176.293 175.510 0.002 0.000 1.226 60 N CA 0.080 53.124 53.050 -0.010 0.000 0.906 60 N CB 0.789 39.264 38.487 -0.021 0.000 1.060 60 N HN -0.018 nan 8.380 nan 0.000 0.468 61 R N 2.779 123.282 120.500 0.005 0.000 2.148 61 R HA -0.032 4.306 4.340 -0.002 0.000 0.223 61 R C 0.963 177.272 176.300 0.016 0.000 1.088 61 R CA 0.716 56.823 56.100 0.012 0.000 0.985 61 R CB -0.404 29.903 30.300 0.011 0.000 0.880 61 R HN 0.653 nan 8.270 nan 0.000 0.451 62 D N 0.700 121.107 120.400 0.013 0.000 2.097 62 D HA -0.139 4.500 4.640 -0.002 0.000 0.195 62 D C 1.876 178.189 176.300 0.021 0.000 0.989 62 D CA 0.819 54.828 54.000 0.016 0.000 0.827 62 D CB -0.062 40.744 40.800 0.011 0.000 0.966 62 D HN 0.041 nan 8.370 nan 0.000 0.456 63 L N 1.063 122.298 121.223 0.020 0.000 2.141 63 L HA -0.050 4.288 4.340 -0.002 0.000 0.209 63 L C 2.252 179.147 176.870 0.042 0.000 1.094 63 L CA 1.370 56.229 54.840 0.032 0.000 0.763 63 L CB -0.334 41.742 42.059 0.029 0.000 0.908 63 L HN -0.155 nan 8.230 nan 0.000 0.437 64 R N -1.248 119.273 120.500 0.035 0.000 2.066 64 R HA -0.114 4.225 4.340 -0.002 0.000 0.232 64 R C 2.103 178.430 176.300 0.045 0.000 1.131 64 R CA 1.719 57.843 56.100 0.040 0.000 0.955 64 R CB -0.244 30.075 30.300 0.031 0.000 0.851 64 R HN 0.317 nan 8.270 nan 0.000 0.432 65 V N 0.956 120.894 119.914 0.041 0.000 2.407 65 V HA -0.242 3.877 4.120 -0.002 0.000 0.248 65 V C 2.412 178.540 176.094 0.056 0.000 1.055 65 V CA 1.903 64.231 62.300 0.047 0.000 1.049 65 V CB -0.688 31.159 31.823 0.041 0.000 0.662 65 V HN 0.511 nan 8.190 nan 0.000 0.455 66 A N 0.053 122.901 122.820 0.047 0.000 1.933 66 A HA -0.091 4.228 4.320 -0.002 0.000 0.218 66 A C 2.411 180.027 177.584 0.054 0.000 1.175 66 A CA 1.935 53.997 52.037 0.042 0.000 0.628 66 A CB -0.710 18.306 19.000 0.027 0.000 0.814 66 A HN 0.575 nan 8.150 nan 0.000 0.444 67 A N -0.664 122.196 122.820 0.066 0.000 2.015 67 A HA 0.054 4.373 4.320 -0.002 0.000 0.219 67 A C 2.094 179.731 177.584 0.090 0.000 1.163 67 A CA 1.395 53.481 52.037 0.082 0.000 0.646 67 A CB -0.430 18.621 19.000 0.086 0.000 0.806 67 A HN 0.471 nan 8.150 nan 0.000 0.448 68 L N -1.093 120.181 121.223 0.085 0.000 2.162 68 L HA -0.064 4.275 4.340 -0.002 0.000 0.205 68 L C 2.169 179.114 176.870 0.125 0.000 1.086 68 L CA 0.899 55.794 54.840 0.092 0.000 0.778 68 L CB -0.481 41.620 42.059 0.071 0.000 0.928 68 L HN 0.432 nan 8.230 nan 0.000 0.446 69 N N -0.378 118.406 118.700 0.141 0.000 2.137 69 N HA -0.197 4.542 4.740 -0.002 0.000 0.190 69 N C 1.809 177.513 175.510 0.323 0.000 1.017 69 N CA 1.257 54.449 53.050 0.236 0.000 0.859 69 N CB -0.090 38.519 38.487 0.203 0.000 1.002 69 N HN 0.043 nan 8.380 nan 0.000 0.428 70 V N 1.534 121.566 119.914 0.197 0.000 2.287 70 V HA -0.252 3.866 4.120 -0.002 0.000 0.248 70 V C 1.949 178.231 176.094 0.314 0.000 1.053 70 V CA 1.756 64.188 62.300 0.220 0.000 1.027 70 V CB -0.524 31.376 31.823 0.128 0.000 0.646 70 V HN 0.350 nan 8.190 nan 0.000 0.447 71 E N 0.186 120.514 120.200 0.214 0.000 2.150 71 E HA -0.130 4.219 4.350 -0.002 0.000 0.193 71 E C 2.301 178.984 176.600 0.139 0.000 0.985 71 E CA 1.147 57.642 56.400 0.158 0.000 0.814 71 E CB -0.291 29.473 29.700 0.107 0.000 0.752 71 E HN 0.620 nan 8.360 nan 0.000 0.466 72 A N 0.532 123.446 122.820 0.157 0.000 1.929 72 A HA -0.113 4.206 4.320 -0.002 0.000 0.216 72 A C 1.765 179.369 177.584 0.033 0.000 1.176 72 A CA 0.906 52.986 52.037 0.072 0.000 0.628 72 A CB -0.493 18.534 19.000 0.044 0.000 0.816 72 A HN 0.150 nan 8.150 nan 0.000 0.444 73 F N -0.509 119.506 119.950 0.107 0.000 2.293 73 F HA 0.050 4.576 4.527 -0.002 0.000 0.297 73 F C 2.378 178.262 175.800 0.140 0.000 1.089 73 F CA 1.264 59.349 58.000 0.141 0.000 1.377 73 F CB -0.104 39.001 39.000 0.176 0.000 1.051 73 F HN 0.152 nan 8.300 nan 0.000 0.511 74 R N 0.483 121.127 120.500 0.240 0.000 2.075 74 R HA -0.131 4.207 4.340 -0.002 0.000 0.232 74 R C 2.289 178.603 176.300 0.023 0.000 1.126 74 R CA 1.296 57.342 56.100 -0.089 0.000 0.963 74 R CB -0.403 29.777 30.300 -0.201 0.000 0.858 74 R HN 0.249 nan 8.270 nan 0.000 0.435 75 A N 0.343 123.181 122.820 0.030 0.000 1.930 75 A HA -0.185 4.134 4.320 -0.002 0.000 0.217 75 A C 2.026 179.603 177.584 -0.012 0.000 1.175 75 A CA 1.266 53.302 52.037 -0.002 0.000 0.627 75 A CB -0.405 18.590 19.000 -0.008 0.000 0.815 75 A HN 0.351 nan 8.150 nan 0.000 0.443 76 Q N -1.424 118.374 119.800 -0.003 0.000 2.119 76 Q HA -0.168 4.171 4.340 -0.002 0.000 0.201 76 Q C 1.789 177.818 176.000 0.048 0.000 0.972 76 Q CA 1.996 57.789 55.803 -0.017 0.000 0.847 76 Q CB -0.629 28.052 28.738 -0.095 0.000 0.903 76 Q HN 0.765 nan 8.270 nan 0.000 0.433 77 Y N 0.487 120.782 120.300 -0.008 0.000 2.128 77 Y HA -0.199 4.349 4.550 -0.002 0.000 0.284 77 Y C 1.837 177.727 175.900 -0.016 0.000 1.154 77 Y CA 1.920 60.018 58.100 -0.003 0.000 1.149 77 Y CB -0.141 38.296 38.460 -0.039 0.000 0.976 77 Y HN 0.022 nan 8.280 nan 0.000 0.505 78 R N -0.008 120.316 120.500 -0.294 0.000 2.152 78 R HA -0.117 4.222 4.340 -0.002 0.000 0.232 78 R C 2.238 178.410 176.300 -0.213 0.000 1.117 78 R CA 1.677 57.574 56.100 -0.339 0.000 0.981 78 R CB -0.386 29.822 30.300 -0.154 0.000 0.870 78 R HN 0.450 nan 8.270 nan 0.000 0.451 79 I N 0.597 121.090 120.570 -0.130 0.000 2.233 79 I HA -0.262 3.907 4.170 -0.002 0.000 0.243 79 I C 2.448 178.526 176.117 -0.065 0.000 1.093 79 I CA 1.216 62.471 61.300 -0.075 0.000 1.380 79 I CB -0.231 37.742 38.000 -0.046 0.000 1.067 79 I HN 0.142 nan 8.210 nan 0.000 0.413 80 Q N 0.326 120.081 119.800 -0.074 0.000 2.167 80 Q HA -0.200 4.139 4.340 -0.002 0.000 0.202 80 Q C 2.274 178.235 176.000 -0.064 0.000 0.970 80 Q CA 1.079 56.859 55.803 -0.038 0.000 0.855 80 Q CB -0.289 28.454 28.738 0.009 0.000 0.911 80 Q HN 0.471 nan 8.270 nan 0.000 0.438 81 R N 0.411 120.796 120.500 -0.192 0.000 2.096 81 R HA -0.083 4.256 4.340 -0.002 0.000 0.235 81 R C 1.998 178.331 176.300 0.054 0.000 1.127 81 R CA 1.174 57.175 56.100 -0.165 0.000 0.968 81 R CB -0.054 29.978 30.300 -0.447 0.000 0.861 81 R HN 0.183 nan 8.270 nan 0.000 0.440 82 A N 0.404 123.251 122.820 0.046 0.000 2.016 82 A HA -0.077 4.242 4.320 -0.002 0.000 0.217 82 A C 1.464 179.183 177.584 0.225 0.000 1.162 82 A CA 1.167 53.307 52.037 0.172 0.000 0.662 82 A CB -0.128 18.890 19.000 0.029 0.000 0.812 82 A HN 0.303 nan 8.150 nan 0.000 0.450 83 D N -0.295 120.171 120.400 0.111 0.000 2.378 83 D HA -0.005 4.634 4.640 -0.002 0.000 0.227 83 D C 1.321 177.689 176.300 0.113 0.000 1.012 83 D CA 0.495 54.557 54.000 0.103 0.000 0.905 83 D CB 0.083 40.921 40.800 0.063 0.000 0.895 83 D HN 0.408 nan 8.370 nan 0.000 0.532 84 L N -0.558 120.690 121.223 0.042 0.000 2.554 84 L HA 0.040 4.379 4.340 -0.002 0.000 0.226 84 L C 0.229 176.985 176.870 -0.191 0.000 1.137 84 L CA 0.352 55.120 54.840 -0.120 0.000 0.863 84 L CB 0.096 41.954 42.059 -0.336 0.000 0.985 84 L HN -0.148 nan 8.230 nan 0.000 0.451 85 F N -0.254 119.761 119.950 0.110 0.000 2.507 85 F HA 0.433 4.959 4.527 -0.002 0.000 0.327 85 F C -1.900 173.703 175.800 -0.329 0.000 1.068 85 F CA -2.873 55.087 58.000 -0.066 0.000 0.965 85 F CB 0.519 39.454 39.000 -0.108 0.000 1.192 85 F HN -0.263 nan 8.300 nan 0.000 0.476 86 P HA 0.083 nan 4.420 nan 0.000 0.271 86 P C -0.851 176.254 177.300 -0.325 0.000 1.220 86 P CA -0.359 62.186 63.100 -0.925 0.000 0.768 86 P CB 0.812 31.710 31.700 -1.337 0.000 0.848 87 R N 3.696 124.096 120.500 -0.166 0.000 2.210 87 R HA 0.368 4.707 4.340 -0.002 0.000 0.338 87 R C -0.265 175.989 176.300 -0.076 0.000 1.062 87 R CA -0.317 55.736 56.100 -0.079 0.000 0.902 87 R CB -0.449 29.840 30.300 -0.018 0.000 1.050 87 R HN 0.455 nan 8.270 nan 0.000 0.461 88 I N 4.107 124.630 120.570 -0.078 0.000 2.321 88 I HA 0.470 4.638 4.170 -0.002 0.000 0.291 88 I C 0.660 176.759 176.117 -0.030 0.000 0.998 88 I CA -0.194 61.072 61.300 -0.057 0.000 1.227 88 I CB 1.944 39.901 38.000 -0.071 0.000 1.368 88 I HN 0.752 nan 8.210 nan 0.000 0.466 89 G N 4.657 113.451 108.800 -0.010 0.000 2.727 89 G HA2 0.653 4.612 3.960 -0.002 0.000 0.289 89 G HA3 0.653 4.612 3.960 -0.002 0.000 0.289 89 G C -1.603 173.309 174.900 0.019 0.000 1.418 89 G CA -0.492 44.610 45.100 0.003 0.000 0.818 89 G HN 0.239 nan 8.290 nan 0.000 0.486 90 V N 1.264 121.194 119.914 0.027 0.000 2.370 90 V HA 0.395 4.514 4.120 -0.002 0.000 0.283 90 V C -0.987 175.133 176.094 0.043 0.000 1.023 90 V CA -0.710 61.616 62.300 0.044 0.000 0.857 90 V CB 1.507 33.362 31.823 0.053 0.000 0.985 90 V HN 0.606 nan 8.190 nan 0.000 0.443 91 D N 4.139 124.568 120.400 0.047 0.000 2.381 91 D HA 0.431 5.070 4.640 -0.002 0.000 0.235 91 D C 0.210 176.539 176.300 0.049 0.000 1.068 91 D CA 0.023 54.048 54.000 0.043 0.000 0.832 91 D CB 2.412 43.233 40.800 0.036 0.000 1.101 91 D HN 0.694 nan 8.370 nan 0.000 0.515 92 G N 0.957 109.789 108.800 0.054 0.000 2.332 92 G HA2 0.455 4.414 3.960 -0.002 0.000 0.310 92 G HA3 0.455 4.414 3.960 -0.002 0.000 0.310 92 G C -0.265 174.672 174.900 0.062 0.000 1.123 92 G CA -0.213 44.926 45.100 0.065 0.000 0.873 92 G HN 0.280 nan 8.290 nan 0.000 0.460 93 S N -0.565 115.178 115.700 0.071 0.000 2.570 93 S HA 0.902 5.371 4.470 -0.002 0.000 0.286 93 S C 0.027 174.686 174.600 0.100 0.000 1.099 93 S CA -0.357 57.878 58.200 0.058 0.000 0.913 93 S CB 2.161 65.373 63.200 0.020 0.000 1.085 93 S HN 1.158 nan 8.310 nan 0.000 0.480 94 G N 0.493 109.316 108.800 0.039 0.000 2.733 94 G HA2 0.624 4.583 3.960 -0.002 0.000 0.297 94 G HA3 0.624 4.583 3.960 -0.002 0.000 0.297 94 G C -1.624 173.183 174.900 -0.155 0.000 1.422 94 G CA -0.515 44.559 45.100 -0.043 0.000 0.942 94 G HN 0.585 nan 8.290 nan 0.000 0.510 95 T N 1.386 115.740 114.554 -0.335 0.000 3.578 95 T HA 0.417 4.766 4.350 -0.002 0.000 0.329 95 T C -0.459 174.095 174.700 -0.244 0.000 0.913 95 T CA -0.678 61.291 62.100 -0.218 0.000 1.029 95 T CB 1.023 69.788 68.868 -0.172 0.000 1.045 95 T HN 0.542 nan 8.240 nan 0.000 0.460 96 R N 2.950 123.368 120.500 -0.135 0.000 2.439 96 R HA 0.584 4.923 4.340 -0.002 0.000 0.310 96 R C -0.593 175.677 176.300 -0.050 0.000 0.955 96 R CA -0.881 55.167 56.100 -0.086 0.000 0.853 96 R CB 1.983 32.267 30.300 -0.026 0.000 1.171 96 R HN 0.698 nan 8.270 nan 0.000 0.449 97 Q N 1.931 121.704 119.800 -0.046 0.000 2.289 97 Q HA 0.410 4.748 4.340 -0.002 0.000 0.270 97 Q C -1.082 174.905 176.000 -0.023 0.000 1.038 97 Q CA -1.098 54.685 55.803 -0.032 0.000 0.812 97 Q CB 2.581 31.297 28.738 -0.037 0.000 1.300 97 Q HN 0.360 nan 8.270 nan 0.000 0.427 98 R N 2.859 123.350 120.500 -0.015 0.000 2.265 98 R HA 0.508 4.847 4.340 -0.002 0.000 0.314 98 R C -1.280 175.012 176.300 -0.013 0.000 1.053 98 R CA -0.217 55.876 56.100 -0.011 0.000 0.931 98 R CB 0.579 30.875 30.300 -0.007 0.000 1.024 98 R HN 0.744 nan 8.270 nan 0.000 0.457 99 L N 7.009 128.225 121.223 -0.012 0.000 2.365 99 L HA 0.537 4.876 4.340 -0.002 0.000 0.273 99 L C -1.961 174.904 176.870 -0.009 0.000 1.000 99 L CA -2.390 52.443 54.840 -0.012 0.000 0.819 99 L CB 2.283 44.334 42.059 -0.015 0.000 1.284 99 L HN 0.622 nan 8.230 nan 0.000 0.418 100 P HA 0.024 nan 4.420 nan 0.000 0.271 100 P C 0.638 177.934 177.300 -0.007 0.000 1.233 100 P CA -0.195 62.901 63.100 -0.007 0.000 0.789 100 P CB 0.771 32.468 31.700 -0.006 0.000 0.951 101 G N 1.221 110.017 108.800 -0.006 0.000 2.450 101 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.220 101 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.220 101 G C 0.786 175.682 174.900 -0.006 0.000 1.130 101 G CA 0.709 45.805 45.100 -0.006 0.000 0.760 101 G HN 0.637 nan 8.290 nan 0.000 0.557 102 D N -0.404 119.992 120.400 -0.006 0.000 2.328 102 D HA 0.081 4.720 4.640 -0.002 0.000 0.226 102 D C 1.408 177.704 176.300 -0.007 0.000 1.066 102 D CA 0.026 54.022 54.000 -0.006 0.000 0.861 102 D CB 0.435 41.232 40.800 -0.005 0.000 0.912 102 D HN 0.222 nan 8.370 nan 0.000 0.521 103 L N 0.361 121.579 121.223 -0.008 0.000 3.039 103 L HA 0.182 4.521 4.340 -0.002 0.000 0.269 103 L C 0.751 177.615 176.870 -0.011 0.000 1.169 103 L CA 0.105 54.939 54.840 -0.009 0.000 0.986 103 L CB 0.483 42.537 42.059 -0.009 0.000 1.377 103 L HN -0.008 nan 8.230 nan 0.000 0.575 104 S N -1.904 113.790 115.700 -0.010 0.000 2.647 104 S HA 0.363 4.832 4.470 -0.002 0.000 0.284 104 S C 1.169 175.763 174.600 -0.011 0.000 1.134 104 S CA 0.357 58.550 58.200 -0.012 0.000 1.027 104 S CB 0.530 63.724 63.200 -0.010 0.000 1.180 104 S HN 0.225 nan 8.310 nan 0.000 0.521 105 T N -2.166 112.381 114.554 -0.012 0.000 3.040 105 T HA 0.183 4.532 4.350 -0.002 0.000 0.250 105 T C 1.263 175.958 174.700 -0.009 0.000 1.058 105 T CA 0.528 62.622 62.100 -0.011 0.000 0.988 105 T CB -0.476 68.384 68.868 -0.012 0.000 0.993 105 T HN 0.781 nan 8.240 nan 0.000 0.519 106 T N -2.635 111.914 114.554 -0.008 0.000 2.954 106 T HA 0.522 4.871 4.350 -0.002 0.000 0.252 106 T C 1.981 176.677 174.700 -0.006 0.000 0.983 106 T CA 0.522 62.618 62.100 -0.007 0.000 0.941 106 T CB 0.038 68.902 68.868 -0.007 0.000 1.141 106 T HN 0.621 nan 8.240 nan 0.000 0.500 107 G N 1.786 110.582 108.800 -0.006 0.000 2.199 107 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.254 107 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.254 107 G C 0.218 175.115 174.900 -0.005 0.000 0.982 107 G CA 0.330 45.427 45.100 -0.005 0.000 0.632 107 G HN 1.427 nan 8.290 nan 0.000 0.529 108 S N -0.268 115.429 115.700 -0.005 0.000 2.568 108 S HA 0.772 5.241 4.470 -0.002 0.000 0.293 108 S C -2.902 171.695 174.600 -0.005 0.000 1.089 108 S CA -1.696 56.501 58.200 -0.004 0.000 0.945 108 S CB 2.958 66.156 63.200 -0.004 0.000 1.077 108 S HN 0.058 nan 8.310 nan 0.000 0.485 109 P HA 0.307 nan 4.420 nan 0.000 0.261 109 P C -0.819 176.478 177.300 -0.005 0.000 1.165 109 P CA 0.518 63.615 63.100 -0.005 0.000 0.759 109 P CB 0.161 31.859 31.700 -0.004 0.000 0.772 110 A N 3.602 126.418 122.820 -0.006 0.000 2.587 110 A HA 0.728 5.046 4.320 -0.002 0.000 0.293 110 A C -1.200 176.379 177.584 -0.008 0.000 1.087 110 A CA -0.609 51.425 52.037 -0.007 0.000 0.692 110 A CB 1.153 20.148 19.000 -0.008 0.000 1.291 110 A HN 0.400 nan 8.150 nan 0.000 0.407 111 I N 2.302 122.868 120.570 -0.007 0.000 2.390 111 I HA 0.333 4.502 4.170 -0.002 0.000 0.283 111 I C 0.383 176.492 176.117 -0.013 0.000 1.016 111 I CA -0.257 61.038 61.300 -0.008 0.000 1.151 111 I CB 1.757 39.756 38.000 -0.001 0.000 1.293 111 I HN 0.632 nan 8.210 nan 0.000 0.458 112 S N 4.209 119.894 115.700 -0.025 0.000 2.525 112 S HA 0.792 5.261 4.470 -0.002 0.000 0.290 112 S C -0.153 174.409 174.600 -0.064 0.000 1.152 112 S CA -0.590 57.588 58.200 -0.037 0.000 1.072 112 S CB 1.708 64.884 63.200 -0.040 0.000 1.027 112 S HN 0.602 nan 8.310 nan 0.000 0.500 113 S N 1.508 117.160 115.700 -0.080 0.000 2.549 113 S HA 0.726 5.195 4.470 -0.002 0.000 0.280 113 S C -1.200 173.264 174.600 -0.227 0.000 1.109 113 S CA -0.895 57.200 58.200 -0.175 0.000 0.905 113 S CB 1.465 64.598 63.200 -0.112 0.000 1.081 113 S HN 1.050 nan 8.310 nan 0.000 0.477 114 Q N 0.993 120.542 119.800 -0.420 0.000 2.379 114 Q HA 0.674 5.013 4.340 -0.002 0.000 0.278 114 Q C -2.112 173.540 176.000 -0.579 0.000 1.068 114 Q CA -0.961 54.635 55.803 -0.345 0.000 0.816 114 Q CB 1.377 30.013 28.738 -0.170 0.000 1.387 114 Q HN 0.750 nan 8.270 nan 0.000 0.413 115 Y N -0.133 120.147 120.300 -0.033 0.000 2.477 115 Y HA 0.814 5.364 4.550 -0.001 0.000 0.347 115 Y C 0.151 176.017 175.900 -0.057 0.000 0.981 115 Y CA -0.823 57.256 58.100 -0.035 0.000 1.033 115 Y CB 3.067 41.510 38.460 -0.029 0.000 1.245 115 Y HN 0.899 nan 8.280 nan 0.000 0.455 116 G N 0.892 109.749 108.800 0.095 0.000 2.731 116 G HA2 0.598 4.557 3.960 -0.002 0.000 0.298 116 G HA3 0.598 4.557 3.960 -0.002 0.000 0.298 116 G C -2.224 172.675 174.900 -0.003 0.000 1.424 116 G CA -0.752 44.351 45.100 0.006 0.000 1.029 116 G HN 0.435 nan 8.290 nan 0.000 0.518 117 V N 1.150 121.018 119.914 -0.078 0.000 2.482 117 V HA 0.778 4.897 4.120 -0.002 0.000 0.295 117 V C -0.012 176.061 176.094 -0.036 0.000 1.026 117 V CA -0.492 61.784 62.300 -0.040 0.000 0.856 117 V CB 1.470 33.269 31.823 -0.040 0.000 1.001 117 V HN 0.924 nan 8.190 nan 0.000 0.424 118 T N 4.621 119.191 114.554 0.027 0.000 2.883 118 T HA 0.788 5.137 4.350 -0.002 0.000 0.296 118 T C -1.926 172.812 174.700 0.062 0.000 1.117 118 T CA -0.451 61.675 62.100 0.043 0.000 1.006 118 T CB 1.716 70.609 68.868 0.042 0.000 1.191 118 T HN 0.514 nan 8.240 nan 0.000 0.508 119 L N 2.497 123.760 121.223 0.067 0.000 2.406 119 L HA 0.869 5.208 4.340 -0.002 0.000 0.272 119 L C -0.042 176.858 176.870 0.050 0.000 0.980 119 L CA 0.633 55.507 54.840 0.057 0.000 0.831 119 L CB 1.132 43.227 42.059 0.061 0.000 1.253 119 L HN 1.022 nan 8.230 nan 0.000 0.406 120 G N 1.580 110.401 108.800 0.035 0.000 2.360 120 G HA2 0.285 4.244 3.960 -0.002 0.000 0.276 120 G HA3 0.285 4.244 3.960 -0.002 0.000 0.276 120 G C -1.390 173.519 174.900 0.014 0.000 1.256 120 G CA -0.034 45.083 45.100 0.028 0.000 0.890 120 G HN 0.611 nan 8.290 nan 0.000 0.486 121 T N -0.595 113.972 114.554 0.022 0.000 2.950 121 T HA 0.724 5.073 4.350 -0.002 0.000 0.288 121 T C -0.732 174.001 174.700 0.056 0.000 1.035 121 T CA 0.084 62.198 62.100 0.024 0.000 1.028 121 T CB 1.499 70.368 68.868 0.002 0.000 1.109 121 T HN 0.760 nan 8.240 nan 0.000 0.514 122 T N 2.726 117.318 114.554 0.064 0.000 2.890 122 T HA 0.630 4.979 4.350 -0.002 0.000 0.295 122 T C 0.084 174.835 174.700 0.086 0.000 0.993 122 T CA 0.153 62.291 62.100 0.062 0.000 0.979 122 T CB 1.058 69.951 68.868 0.042 0.000 0.967 122 T HN 1.287 nan 8.240 nan 0.000 0.441 123 A N 2.131 125.000 122.820 0.081 0.000 2.610 123 A HA -0.158 4.161 4.320 -0.002 0.000 0.299 123 A C 0.007 177.679 177.584 0.148 0.000 1.487 123 A CA 0.150 52.233 52.037 0.077 0.000 0.743 123 A CB -1.997 17.030 19.000 0.044 0.000 1.070 123 A HN 0.889 nan 8.150 nan 0.000 0.439 124 W N 1.328 122.613 121.300 -0.025 0.000 2.356 124 W HA 0.505 5.164 4.660 -0.002 0.000 0.311 124 W C 0.271 176.776 176.519 -0.023 0.000 1.328 124 W CA -0.344 56.990 57.345 -0.018 0.000 1.251 124 W CB 0.236 29.689 29.460 -0.012 0.000 1.280 124 W HN 0.539 nan 8.180 nan 0.000 0.524 125 E N 6.036 126.163 120.200 -0.122 0.000 2.070 125 E HA 0.137 4.486 4.350 -0.002 0.000 0.282 125 E C -0.583 175.668 176.600 -0.582 0.000 1.104 125 E CA -0.465 55.768 56.400 -0.277 0.000 0.876 125 E CB 0.277 29.927 29.700 -0.083 0.000 1.055 125 E HN 0.530 nan 8.360 nan 0.000 0.401 126 L N 4.844 125.630 121.223 -0.728 0.000 2.456 126 L HA 0.024 4.363 4.340 -0.002 0.000 0.277 126 L C 0.326 176.995 176.870 -0.335 0.000 1.124 126 L CA 0.088 54.504 54.840 -0.706 0.000 0.880 126 L CB 0.327 41.993 42.059 -0.654 0.000 1.192 126 L HN 0.523 nan 8.230 nan 0.000 0.463 127 D N 3.160 123.409 120.400 -0.251 0.000 2.600 127 D HA 0.038 4.676 4.640 -0.002 0.000 0.226 127 D C 0.840 177.042 176.300 -0.164 0.000 1.119 127 D CA 0.047 53.963 54.000 -0.141 0.000 1.051 127 D CB 0.521 41.261 40.800 -0.100 0.000 1.106 127 D HN 0.355 nan 8.370 nan 0.000 0.491 128 L N 1.697 122.801 121.223 -0.199 0.000 2.131 128 L HA 0.141 4.480 4.340 -0.002 0.000 0.206 128 L C 1.150 177.688 176.870 -0.553 0.000 1.087 128 L CA 1.290 55.887 54.840 -0.405 0.000 0.767 128 L CB -0.040 41.695 42.059 -0.540 0.000 0.917 128 L HN 0.299 nan 8.230 nan 0.000 0.441 129 F N -0.621 119.262 119.950 -0.111 0.000 2.695 129 F HA 0.394 4.920 4.527 -0.001 0.000 0.303 129 F C 1.606 177.328 175.800 -0.130 0.000 1.091 129 F CA 0.324 58.227 58.000 -0.163 0.000 1.300 129 F CB 0.024 38.914 39.000 -0.182 0.000 1.071 129 F HN 0.077 nan 8.300 nan 0.000 0.578 130 G N 1.081 109.891 108.800 0.016 0.000 2.160 130 G HA2 -0.344 3.615 3.960 -0.002 0.000 0.244 130 G HA3 -0.344 3.615 3.960 -0.002 0.000 0.244 130 G C 1.254 176.175 174.900 0.034 0.000 1.022 130 G CA 0.516 45.617 45.100 0.002 0.000 0.741 130 G HN 0.391 nan 8.290 nan 0.000 0.508 131 R N -0.571 119.962 120.500 0.056 0.000 2.075 131 R HA 0.141 4.480 4.340 -0.002 0.000 0.232 131 R C 2.468 178.792 176.300 0.040 0.000 1.126 131 R CA 1.556 57.691 56.100 0.058 0.000 0.963 131 R CB -0.209 30.130 30.300 0.065 0.000 0.858 131 R HN 0.526 nan 8.270 nan 0.000 0.435 132 L N -0.364 120.873 121.223 0.024 0.000 2.179 132 L HA -0.010 4.329 4.340 -0.002 0.000 0.208 132 L C 2.632 179.515 176.870 0.022 0.000 1.096 132 L CA 0.825 55.677 54.840 0.020 0.000 0.779 132 L CB -0.303 41.760 42.059 0.007 0.000 0.922 132 L HN 0.142 nan 8.230 nan 0.000 0.443 133 R N -0.326 120.181 120.500 0.012 0.000 2.081 133 R HA -0.113 4.226 4.340 -0.002 0.000 0.235 133 R C 2.529 178.855 176.300 0.044 0.000 1.131 133 R CA 1.559 57.671 56.100 0.020 0.000 0.960 133 R CB -0.209 30.092 30.300 0.002 0.000 0.856 133 R HN 0.244 nan 8.270 nan 0.000 0.436 134 S N 1.020 116.746 115.700 0.043 0.000 2.368 134 S HA -0.086 4.383 4.470 -0.002 0.000 0.225 134 S C 1.864 176.504 174.600 0.066 0.000 1.030 134 S CA 1.025 59.257 58.200 0.053 0.000 0.999 134 S CB -0.110 63.122 63.200 0.054 0.000 0.844 134 S HN 0.227 nan 8.310 nan 0.000 0.459 135 L N 0.789 122.051 121.223 0.065 0.000 2.217 135 L HA 0.036 4.375 4.340 -0.002 0.000 0.211 135 L C 2.643 179.571 176.870 0.097 0.000 1.107 135 L CA 0.814 55.699 54.840 0.074 0.000 0.783 135 L CB -0.338 41.758 42.059 0.061 0.000 0.919 135 L HN 0.220 nan 8.230 nan 0.000 0.442 136 R N 0.306 120.866 120.500 0.100 0.000 2.075 136 R HA -0.132 4.207 4.340 -0.002 0.000 0.226 136 R C 1.648 178.079 176.300 0.219 0.000 1.114 136 R CA 1.519 57.712 56.100 0.155 0.000 0.972 136 R CB 0.002 30.372 30.300 0.116 0.000 0.869 136 R HN 0.251 nan 8.270 nan 0.000 0.437 137 D N 0.399 120.885 120.400 0.144 0.000 2.178 137 D HA -0.199 4.440 4.640 -0.002 0.000 0.201 137 D C 1.768 178.122 176.300 0.089 0.000 0.980 137 D CA 0.973 55.038 54.000 0.108 0.000 0.842 137 D CB -0.166 40.674 40.800 0.068 0.000 0.948 137 D HN 0.366 nan 8.370 nan 0.000 0.472 138 Q N 0.186 120.043 119.800 0.095 0.000 2.084 138 Q HA -0.128 4.210 4.340 -0.002 0.000 0.202 138 Q C 1.981 178.057 176.000 0.127 0.000 0.978 138 Q CA 1.511 57.368 55.803 0.090 0.000 0.844 138 Q CB -0.032 28.759 28.738 0.089 0.000 0.898 138 Q HN 0.230 nan 8.270 nan 0.000 0.426 139 A N 0.700 123.627 122.820 0.177 0.000 1.930 139 A HA -0.147 4.172 4.320 -0.002 0.000 0.217 139 A C 1.961 179.698 177.584 0.254 0.000 1.175 139 A CA 1.176 53.362 52.037 0.248 0.000 0.627 139 A CB -0.622 18.546 19.000 0.281 0.000 0.815 139 A HN 0.483 nan 8.150 nan 0.000 0.443 140 L N -0.408 120.914 121.223 0.163 0.000 2.056 140 L HA -0.086 4.253 4.340 -0.002 0.000 0.207 140 L C 2.135 178.995 176.870 -0.017 0.000 1.078 140 L CA 2.568 57.328 54.840 -0.133 0.000 0.749 140 L CB -0.486 41.407 42.059 -0.276 0.000 0.901 140 L HN 0.366 nan 8.230 nan 0.000 0.433 141 E N -0.427 119.775 120.200 0.002 0.000 2.072 141 E HA -0.222 4.127 4.350 -0.002 0.000 0.191 141 E C 2.251 178.818 176.600 -0.054 0.000 0.985 141 E CA 1.362 57.743 56.400 -0.031 0.000 0.801 141 E CB -0.146 29.554 29.700 -0.001 0.000 0.750 141 E HN 0.616 nan 8.360 nan 0.000 0.452 142 Q N -1.219 118.602 119.800 0.035 0.000 2.084 142 Q HA -0.207 4.132 4.340 -0.002 0.000 0.202 142 Q C 1.947 177.895 176.000 -0.087 0.000 0.978 142 Q CA 1.607 57.424 55.803 0.023 0.000 0.844 142 Q CB -0.356 28.526 28.738 0.240 0.000 0.898 142 Q HN 0.441 nan 8.270 nan 0.000 0.426 143 Y N 0.997 121.277 120.300 -0.033 0.000 2.165 143 Y HA -0.225 4.323 4.550 -0.002 0.000 0.286 143 Y C 1.626 177.387 175.900 -0.233 0.000 1.155 143 Y CA 1.419 59.475 58.100 -0.073 0.000 1.164 143 Y CB -0.302 38.139 38.460 -0.032 0.000 0.978 143 Y HN 0.019 nan 8.280 nan 0.000 0.513 144 L N -0.061 120.761 121.223 -0.668 0.000 2.141 144 L HA -0.151 4.188 4.340 -0.002 0.000 0.209 144 L C 2.802 179.200 176.870 -0.787 0.000 1.094 144 L CA 0.987 55.278 54.840 -0.916 0.000 0.763 144 L CB -0.895 40.593 42.059 -0.951 0.000 0.908 144 L HN 0.391 nan 8.230 nan 0.000 0.437 145 A N -0.263 122.248 122.820 -0.515 0.000 1.873 145 A HA -0.174 4.145 4.320 -0.002 0.000 0.215 145 A C 2.344 179.710 177.584 -0.363 0.000 1.186 145 A CA 2.171 54.021 52.037 -0.311 0.000 0.616 145 A CB -0.873 18.012 19.000 -0.191 0.000 0.823 145 A HN 0.363 nan 8.150 nan 0.000 0.442 146 T N -0.385 113.883 114.554 -0.477 0.000 2.833 146 T HA -0.147 4.202 4.350 -0.002 0.000 0.269 146 T C 1.786 176.283 174.700 -0.338 0.000 1.054 146 T CA 1.482 63.306 62.100 -0.460 0.000 1.135 146 T CB -0.194 68.295 68.868 -0.632 0.000 0.869 146 T HN 0.700 nan 8.240 nan 0.000 0.466 147 E N 0.557 120.500 120.200 -0.428 0.000 2.072 147 E HA -0.175 4.174 4.350 -0.002 0.000 0.191 147 E C 2.330 178.709 176.600 -0.369 0.000 0.985 147 E CA 0.806 56.971 56.400 -0.392 0.000 0.801 147 E CB 0.057 29.436 29.700 -0.534 0.000 0.750 147 E HN 0.316 nan 8.360 nan 0.000 0.452 148 Q N -0.078 119.508 119.800 -0.358 0.000 2.119 148 Q HA -0.106 4.233 4.340 -0.002 0.000 0.201 148 Q C 2.106 177.954 176.000 -0.253 0.000 0.972 148 Q CA 1.295 56.918 55.803 -0.300 0.000 0.847 148 Q CB -0.352 28.275 28.738 -0.185 0.000 0.903 148 Q HN 0.353 nan 8.270 nan 0.000 0.433 149 A N 0.929 123.619 122.820 -0.217 0.000 1.972 149 A HA -0.237 4.082 4.320 -0.002 0.000 0.219 149 A C 2.060 179.562 177.584 -0.137 0.000 1.169 149 A CA 1.651 53.592 52.037 -0.160 0.000 0.635 149 A CB -0.529 18.377 19.000 -0.157 0.000 0.810 149 A HN 0.428 nan 8.150 nan 0.000 0.446 150 Q N -0.337 119.367 119.800 -0.160 0.000 2.119 150 Q HA -0.179 4.159 4.340 -0.002 0.000 0.201 150 Q C 2.214 178.145 176.000 -0.116 0.000 0.972 150 Q CA 1.400 57.142 55.803 -0.101 0.000 0.847 150 Q CB -0.090 28.604 28.738 -0.075 0.000 0.903 150 Q HN 0.715 nan 8.270 nan 0.000 0.433 151 R N -0.387 119.919 120.500 -0.323 0.000 2.092 151 R HA -0.060 4.279 4.340 -0.002 0.000 0.231 151 R C 2.555 178.778 176.300 -0.128 0.000 1.119 151 R CA 1.292 57.144 56.100 -0.413 0.000 0.970 151 R CB -0.400 29.380 30.300 -0.866 0.000 0.864 151 R HN 0.132 nan 8.270 nan 0.000 0.440 152 S N 0.718 116.337 115.700 -0.134 0.000 2.383 152 S HA -0.083 4.386 4.470 -0.002 0.000 0.227 152 S C 2.081 176.663 174.600 -0.029 0.000 1.026 152 S CA 1.052 59.208 58.200 -0.073 0.000 0.981 152 S CB -0.072 63.081 63.200 -0.079 0.000 0.818 152 S HN 0.436 nan 8.310 nan 0.000 0.472 153 A N 0.709 123.515 122.820 -0.023 0.000 1.933 153 A HA -0.141 4.177 4.320 -0.002 0.000 0.218 153 A C 2.115 179.716 177.584 0.029 0.000 1.175 153 A CA 1.768 53.806 52.037 0.002 0.000 0.628 153 A CB -0.786 18.216 19.000 0.004 0.000 0.814 153 A HN 0.714 nan 8.150 nan 0.000 0.444 154 Q N -0.286 119.557 119.800 0.072 0.000 2.083 154 Q HA -0.152 4.187 4.340 -0.002 0.000 0.198 154 Q C 2.160 178.203 176.000 0.072 0.000 0.969 154 Q CA 2.196 58.063 55.803 0.108 0.000 0.838 154 Q CB -0.302 28.599 28.738 0.272 0.000 0.900 154 Q HN 0.788 nan 8.270 nan 0.000 0.436 155 T N -2.427 112.170 114.554 0.070 0.000 2.788 155 T HA -0.109 4.240 4.350 -0.002 0.000 0.268 155 T C 1.814 176.524 174.700 0.016 0.000 1.044 155 T CA 1.623 63.739 62.100 0.028 0.000 1.139 155 T CB -0.679 68.173 68.868 -0.027 0.000 0.867 155 T HN 0.192 nan 8.240 nan 0.000 0.454 156 T N 2.387 116.947 114.554 0.010 0.000 2.674 156 T HA 0.018 4.367 4.350 -0.002 0.000 0.265 156 T C 1.794 176.500 174.700 0.010 0.000 1.039 156 T CA 1.332 63.439 62.100 0.011 0.000 1.150 156 T CB -0.598 68.273 68.868 0.005 0.000 0.864 156 T HN 0.258 nan 8.240 nan 0.000 0.427 157 L N 1.574 122.796 121.223 -0.003 0.000 2.012 157 L HA -0.054 4.284 4.340 -0.002 0.000 0.210 157 L C 2.452 179.288 176.870 -0.057 0.000 1.073 157 L CA 1.524 56.347 54.840 -0.029 0.000 0.748 157 L CB -0.913 41.123 42.059 -0.038 0.000 0.891 157 L HN 0.082 nan 8.230 nan 0.000 0.431 158 V N 0.346 120.222 119.914 -0.063 0.000 2.282 158 V HA -0.363 3.756 4.120 -0.002 0.000 0.249 158 V C 2.842 178.945 176.094 0.015 0.000 1.057 158 V CA 1.904 64.150 62.300 -0.089 0.000 1.032 158 V CB -1.564 30.247 31.823 -0.020 0.000 0.645 158 V HN 0.647 nan 8.190 nan 0.000 0.447 159 A N -0.709 122.176 122.820 0.108 0.000 1.940 159 A HA -0.226 4.093 4.320 -0.002 0.000 0.219 159 A C 2.480 180.108 177.584 0.074 0.000 1.176 159 A CA 2.345 54.473 52.037 0.152 0.000 0.631 159 A CB -0.678 18.401 19.000 0.132 0.000 0.814 159 A HN 0.514 nan 8.150 nan 0.000 0.446 160 S N -0.622 115.093 115.700 0.025 0.000 2.368 160 S HA -0.105 4.364 4.470 -0.002 0.000 0.224 160 S C 1.918 176.510 174.600 -0.012 0.000 1.029 160 S CA 1.347 59.552 58.200 0.009 0.000 0.988 160 S CB -0.397 62.802 63.200 -0.001 0.000 0.838 160 S HN 0.356 nan 8.310 nan 0.000 0.462 161 V N 2.099 121.977 119.914 -0.059 0.000 2.295 161 V HA -0.202 3.917 4.120 -0.002 0.000 0.246 161 V C 2.646 178.688 176.094 -0.087 0.000 1.049 161 V CA 1.729 63.972 62.300 -0.095 0.000 1.024 161 V CB -1.242 30.469 31.823 -0.186 0.000 0.648 161 V HN 0.528 nan 8.190 nan 0.000 0.447 162 A N -0.039 122.702 122.820 -0.133 0.000 1.883 162 A HA -0.245 4.074 4.320 -0.002 0.000 0.217 162 A C 2.411 180.034 177.584 0.066 0.000 1.186 162 A CA 2.664 54.639 52.037 -0.103 0.000 0.624 162 A CB -1.085 17.868 19.000 -0.078 0.000 0.822 162 A HN 0.513 nan 8.150 nan 0.000 0.444 163 T N 0.311 114.906 114.554 0.068 0.000 2.746 163 T HA -0.002 4.346 4.350 -0.002 0.000 0.267 163 T C 2.190 176.918 174.700 0.046 0.000 1.039 163 T CA 1.585 63.724 62.100 0.065 0.000 1.142 163 T CB -0.453 68.450 68.868 0.058 0.000 0.866 163 T HN 0.598 nan 8.240 nan 0.000 0.444 164 A N 0.282 123.128 122.820 0.042 0.000 1.969 164 A HA -0.049 4.270 4.320 -0.002 0.000 0.218 164 A C 2.086 179.702 177.584 0.054 0.000 1.169 164 A CA 1.282 53.340 52.037 0.035 0.000 0.635 164 A CB -0.842 18.174 19.000 0.026 0.000 0.810 164 A HN 0.614 nan 8.150 nan 0.000 0.445 165 Y N 0.249 120.515 120.300 -0.057 0.000 2.220 165 Y HA -0.017 4.532 4.550 -0.002 0.000 0.291 165 Y C 1.858 177.729 175.900 -0.048 0.000 1.129 165 Y CA 1.571 59.635 58.100 -0.061 0.000 1.161 165 Y CB -0.188 38.218 38.460 -0.090 0.000 0.997 165 Y HN 0.188 nan 8.280 nan 0.000 0.522 166 L N -0.827 120.398 121.223 0.004 0.000 2.093 166 L HA -0.193 4.146 4.340 -0.002 0.000 0.208 166 L C 2.297 179.100 176.870 -0.112 0.000 1.085 166 L CA 1.659 56.452 54.840 -0.079 0.000 0.755 166 L CB -0.837 41.237 42.059 0.024 0.000 0.904 166 L HN 0.188 nan 8.230 nan 0.000 0.435 167 T N 0.362 114.876 114.554 -0.066 0.000 2.708 167 T HA -0.205 4.144 4.350 -0.002 0.000 0.266 167 T C 1.837 176.483 174.700 -0.090 0.000 1.037 167 T CA 1.472 63.536 62.100 -0.059 0.000 1.146 167 T CB -0.285 68.570 68.868 -0.023 0.000 0.865 167 T HN 0.143 nan 8.240 nan 0.000 0.435 168 L N 1.362 122.518 121.223 -0.112 0.000 2.042 168 L HA -0.023 4.316 4.340 -0.002 0.000 0.210 168 L C 2.267 179.027 176.870 -0.184 0.000 1.076 168 L CA 1.923 56.685 54.840 -0.129 0.000 0.749 168 L CB -0.569 41.413 42.059 -0.128 0.000 0.893 168 L HN 0.034 nan 8.230 nan 0.000 0.432 169 K N -0.374 119.858 120.400 -0.280 0.000 2.057 169 K HA -0.084 4.235 4.320 -0.002 0.000 0.207 169 K C 2.000 178.484 176.600 -0.194 0.000 1.049 169 K CA 1.529 57.642 56.287 -0.290 0.000 0.931 169 K CB -0.433 31.829 32.500 -0.397 0.000 0.714 169 K HN 0.470 nan 8.250 nan 0.000 0.440 170 A N 0.796 123.516 122.820 -0.166 0.000 1.873 170 A HA -0.138 4.181 4.320 -0.002 0.000 0.215 170 A C 1.742 179.220 177.584 -0.176 0.000 1.186 170 A CA 1.897 53.846 52.037 -0.147 0.000 0.616 170 A CB -0.628 18.303 19.000 -0.116 0.000 0.823 170 A HN 0.351 nan 8.150 nan 0.000 0.442 171 D N -0.459 119.848 120.400 -0.155 0.000 2.178 171 D HA -0.120 4.519 4.640 -0.002 0.000 0.202 171 D C 2.134 178.317 176.300 -0.196 0.000 0.974 171 D CA 1.096 54.988 54.000 -0.181 0.000 0.841 171 D CB -0.323 40.444 40.800 -0.054 0.000 0.953 171 D HN 0.598 nan 8.370 nan 0.000 0.478 172 Q N 0.154 119.866 119.800 -0.147 0.000 2.084 172 Q HA -0.088 4.251 4.340 -0.002 0.000 0.202 172 Q C 2.152 178.066 176.000 -0.144 0.000 0.978 172 Q CA 1.439 57.167 55.803 -0.126 0.000 0.844 172 Q CB -0.064 28.606 28.738 -0.114 0.000 0.898 172 Q HN 0.218 nan 8.270 nan 0.000 0.426 173 A N 0.510 123.234 122.820 -0.161 0.000 1.969 173 A HA -0.180 4.139 4.320 -0.002 0.000 0.218 173 A C 1.999 179.468 177.584 -0.191 0.000 1.169 173 A CA 0.936 52.885 52.037 -0.148 0.000 0.635 173 A CB -0.215 18.707 19.000 -0.131 0.000 0.810 173 A HN 0.243 nan 8.150 nan 0.000 0.445 174 Q N -0.797 118.811 119.800 -0.320 0.000 2.050 174 Q HA -0.163 4.176 4.340 -0.002 0.000 0.202 174 Q C 2.131 177.871 176.000 -0.434 0.000 0.980 174 Q CA 1.426 56.901 55.803 -0.548 0.000 0.840 174 Q CB -0.662 27.356 28.738 -1.200 0.000 0.898 174 Q HN 0.584 nan 8.270 nan 0.000 0.424 175 L N 1.257 122.286 121.223 -0.324 0.000 2.012 175 L HA -0.240 4.099 4.340 -0.002 0.000 0.210 175 L C 2.424 179.268 176.870 -0.043 0.000 1.073 175 L CA 2.033 56.825 54.840 -0.081 0.000 0.748 175 L CB -0.695 41.346 42.059 -0.030 0.000 0.891 175 L HN 0.143 nan 8.230 nan 0.000 0.431 176 Q N -0.774 118.982 119.800 -0.074 0.000 2.119 176 Q HA -0.190 4.149 4.340 -0.002 0.000 0.201 176 Q C 2.126 178.089 176.000 -0.061 0.000 0.972 176 Q CA 2.071 57.838 55.803 -0.060 0.000 0.847 176 Q CB -0.604 28.096 28.738 -0.064 0.000 0.903 176 Q HN 0.555 nan 8.270 nan 0.000 0.433 177 L N -0.250 120.940 121.223 -0.055 0.000 2.083 177 L HA -0.125 4.214 4.340 -0.002 0.000 0.209 177 L C 1.858 178.704 176.870 -0.040 0.000 1.083 177 L CA 2.338 57.161 54.840 -0.028 0.000 0.752 177 L CB -0.891 41.186 42.059 0.030 0.000 0.899 177 L HN 0.208 nan 8.230 nan 0.000 0.433 178 T N -0.824 113.754 114.554 0.040 0.000 2.821 178 T HA -0.162 4.187 4.350 -0.002 0.000 0.267 178 T C 1.903 176.526 174.700 -0.128 0.000 1.046 178 T CA 1.576 63.687 62.100 0.017 0.000 1.139 178 T CB -0.162 68.874 68.868 0.279 0.000 0.871 178 T HN 0.306 nan 8.240 nan 0.000 0.454 179 K N 0.770 121.124 120.400 -0.076 0.000 2.057 179 K HA -0.121 4.198 4.320 -0.002 0.000 0.207 179 K C 2.034 178.550 176.600 -0.140 0.000 1.049 179 K CA 1.560 57.794 56.287 -0.088 0.000 0.931 179 K CB -0.072 32.396 32.500 -0.053 0.000 0.714 179 K HN 0.247 nan 8.250 nan 0.000 0.440 180 D N -0.413 119.893 120.400 -0.157 0.000 2.117 180 D HA -0.100 4.539 4.640 -0.002 0.000 0.198 180 D C 1.827 177.953 176.300 -0.291 0.000 0.982 180 D CA 1.249 55.144 54.000 -0.175 0.000 0.828 180 D CB -0.506 40.210 40.800 -0.140 0.000 0.967 180 D HN 0.126 nan 8.370 nan 0.000 0.464 181 T N 1.392 115.673 114.554 -0.455 0.000 2.746 181 T HA -0.126 4.223 4.350 -0.002 0.000 0.267 181 T C 1.930 176.075 174.700 -0.924 0.000 1.039 181 T CA 0.522 62.126 62.100 -0.827 0.000 1.142 181 T CB -0.339 67.758 68.868 -1.285 0.000 0.866 181 T HN 0.033 nan 8.240 nan 0.000 0.444 182 L N 1.506 122.376 121.223 -0.589 0.000 2.083 182 L HA 0.072 4.411 4.340 -0.002 0.000 0.209 182 L C 2.502 179.274 176.870 -0.163 0.000 1.083 182 L CA 1.961 56.610 54.840 -0.319 0.000 0.752 182 L CB -1.148 40.811 42.059 -0.167 0.000 0.899 182 L HN 0.277 nan 8.230 nan 0.000 0.433 183 G N -1.519 107.185 108.800 -0.161 0.000 2.446 183 G HA2 -0.341 3.618 3.960 -0.002 0.000 0.217 183 G HA3 -0.341 3.618 3.960 -0.002 0.000 0.217 183 G C 1.528 176.411 174.900 -0.029 0.000 1.168 183 G CA 1.436 46.492 45.100 -0.074 0.000 0.771 183 G HN 0.526 nan 8.290 nan 0.000 0.551 184 T N -2.277 112.231 114.554 -0.077 0.000 2.915 184 T HA -0.092 4.257 4.350 -0.002 0.000 0.269 184 T C 2.114 176.929 174.700 0.191 0.000 1.071 184 T CA 1.120 63.235 62.100 0.025 0.000 1.132 184 T CB -0.365 68.485 68.868 -0.031 0.000 0.878 184 T HN 0.229 nan 8.240 nan 0.000 0.479 185 Y N 1.539 121.823 120.300 -0.027 0.000 2.263 185 Y HA 0.140 4.689 4.550 -0.002 0.000 0.292 185 Y C 2.778 178.721 175.900 0.071 0.000 1.130 185 Y CA 0.357 58.465 58.100 0.012 0.000 1.179 185 Y CB -1.129 37.300 38.460 -0.051 0.000 0.998 185 Y HN 0.310 nan 8.280 nan 0.000 0.532 186 Q N 0.692 120.614 119.800 0.204 0.000 2.079 186 Q HA -0.136 4.203 4.340 -0.002 0.000 0.200 186 Q C 2.028 178.152 176.000 0.207 0.000 0.974 186 Q CA 1.753 57.654 55.803 0.164 0.000 0.840 186 Q CB 0.008 28.795 28.738 0.082 0.000 0.898 186 Q HN 0.324 nan 8.270 nan 0.000 0.430 187 K N -0.504 119.993 120.400 0.161 0.000 1.985 187 K HA -0.142 4.176 4.320 -0.002 0.000 0.210 187 K C 2.309 179.008 176.600 0.165 0.000 1.047 187 K CA 1.387 57.759 56.287 0.141 0.000 0.932 187 K CB -0.530 32.036 32.500 0.109 0.000 0.716 187 K HN 0.166 nan 8.250 nan 0.000 0.439 188 S N 0.947 116.766 115.700 0.199 0.000 2.372 188 S HA -0.242 4.227 4.470 -0.002 0.000 0.227 188 S C 1.871 176.591 174.600 0.200 0.000 1.044 188 S CA 1.510 59.836 58.200 0.210 0.000 1.050 188 S CB -0.444 62.905 63.200 0.248 0.000 0.901 188 S HN 0.367 nan 8.310 nan 0.000 0.447 189 F N 2.341 122.337 119.950 0.077 0.000 2.126 189 F HA -0.094 4.432 4.527 -0.002 0.000 0.299 189 F C 1.942 177.755 175.800 0.022 0.000 1.096 189 F CA 2.161 60.172 58.000 0.019 0.000 1.255 189 F CB -0.530 38.470 39.000 -0.001 0.000 0.997 189 F HN 0.230 nan 8.300 nan 0.000 0.479 190 D N 0.509 120.942 120.400 0.056 0.000 2.178 190 D HA -0.128 4.511 4.640 -0.002 0.000 0.202 190 D C 2.470 178.727 176.300 -0.072 0.000 0.974 190 D CA 1.099 55.075 54.000 -0.039 0.000 0.841 190 D CB -0.403 40.454 40.800 0.095 0.000 0.953 190 D HN 0.358 nan 8.370 nan 0.000 0.478 191 L N 0.603 121.824 121.223 -0.005 0.000 2.093 191 L HA -0.138 4.201 4.340 -0.002 0.000 0.208 191 L C 2.356 179.228 176.870 0.003 0.000 1.085 191 L CA 1.045 55.898 54.840 0.022 0.000 0.755 191 L CB -0.325 41.782 42.059 0.080 0.000 0.904 191 L HN 0.029 nan 8.230 nan 0.000 0.435 192 T N -1.661 112.862 114.554 -0.052 0.000 2.857 192 T HA -0.215 4.134 4.350 -0.002 0.000 0.266 192 T C 1.725 176.331 174.700 -0.157 0.000 1.048 192 T CA 1.082 63.142 62.100 -0.068 0.000 1.139 192 T CB -0.044 68.724 68.868 -0.166 0.000 0.874 192 T HN 0.200 nan 8.240 nan 0.000 0.455 193 Q N 1.256 120.844 119.800 -0.353 0.000 2.061 193 Q HA -0.105 4.234 4.340 -0.002 0.000 0.204 193 Q C 2.393 178.356 176.000 -0.061 0.000 0.984 193 Q CA 1.516 57.142 55.803 -0.295 0.000 0.846 193 Q CB -0.087 28.393 28.738 -0.431 0.000 0.902 193 Q HN 0.196 nan 8.270 nan 0.000 0.421 194 R N -0.408 120.059 120.500 -0.055 0.000 2.081 194 R HA -0.057 4.282 4.340 -0.002 0.000 0.235 194 R C 2.515 178.817 176.300 0.005 0.000 1.131 194 R CA 1.395 57.488 56.100 -0.011 0.000 0.960 194 R CB -1.064 29.230 30.300 -0.011 0.000 0.856 194 R HN 0.312 nan 8.270 nan 0.000 0.436 195 S N 0.185 115.892 115.700 0.012 0.000 2.383 195 S HA -0.168 4.301 4.470 -0.002 0.000 0.227 195 S C 1.833 176.451 174.600 0.030 0.000 1.026 195 S CA 0.885 59.094 58.200 0.016 0.000 0.981 195 S CB -0.249 62.970 63.200 0.032 0.000 0.818 195 S HN 0.441 nan 8.310 nan 0.000 0.472 196 Y N 2.035 122.297 120.300 -0.063 0.000 2.242 196 Y HA -0.074 4.475 4.550 -0.002 0.000 0.291 196 Y C 1.793 177.663 175.900 -0.050 0.000 1.137 196 Y CA 1.923 59.988 58.100 -0.059 0.000 1.181 196 Y CB -0.398 38.011 38.460 -0.085 0.000 0.989 196 Y HN 0.245 nan 8.280 nan 0.000 0.527 197 D N -0.285 120.115 120.400 -0.001 0.000 2.309 197 D HA -0.121 4.518 4.640 -0.002 0.000 0.212 197 D C 2.008 178.237 176.300 -0.118 0.000 0.968 197 D CA 1.605 55.566 54.000 -0.064 0.000 0.882 197 D CB -0.052 40.760 40.800 0.019 0.000 0.918 197 D HN 0.468 nan 8.370 nan 0.000 0.503 198 V N -3.817 116.032 119.914 -0.108 0.000 3.590 198 V HA 0.466 4.585 4.120 -0.002 0.000 0.265 198 V C 1.506 177.523 176.094 -0.127 0.000 1.239 198 V CA 0.482 62.724 62.300 -0.098 0.000 1.117 198 V CB 0.197 31.983 31.823 -0.062 0.000 0.818 198 V HN 0.158 nan 8.190 nan 0.000 0.451 199 G N 0.019 108.708 108.800 -0.186 0.000 2.134 199 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.209 199 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.209 199 G C 0.344 175.174 174.900 -0.118 0.000 0.993 199 G CA 0.298 45.283 45.100 -0.191 0.000 0.669 199 G HN 0.456 nan 8.290 nan 0.000 0.519 200 V N 0.456 120.318 119.914 -0.088 0.000 2.403 200 V HA 0.532 4.651 4.120 -0.002 0.000 0.239 200 V C 2.108 178.189 176.094 -0.023 0.000 1.041 200 V CA 1.749 64.014 62.300 -0.060 0.000 1.051 200 V CB -0.496 31.286 31.823 -0.068 0.000 0.704 200 V HN 1.156 nan 8.190 nan 0.000 0.472 201 A N 1.331 124.167 122.820 0.026 0.000 2.425 201 A HA 0.496 4.815 4.320 -0.002 0.000 0.249 201 A C 0.616 178.318 177.584 0.197 0.000 1.084 201 A CA 0.393 52.509 52.037 0.130 0.000 0.781 201 A CB 0.158 19.268 19.000 0.183 0.000 1.019 201 A HN 0.576 nan 8.150 nan 0.000 0.490 202 S N 1.431 117.247 115.700 0.193 0.000 2.652 202 S HA 0.527 4.996 4.470 -0.002 0.000 0.270 202 S C 1.245 175.978 174.600 0.223 0.000 1.243 202 S CA -0.119 58.207 58.200 0.211 0.000 0.999 202 S CB 1.288 64.564 63.200 0.126 0.000 0.973 202 S HN 1.613 nan 8.310 nan 0.000 0.544 203 A N 0.891 123.843 122.820 0.220 0.000 1.978 203 A HA -0.038 4.281 4.320 -0.002 0.000 0.220 203 A C 2.020 179.559 177.584 -0.075 0.000 1.170 203 A CA 1.574 53.597 52.037 -0.024 0.000 0.636 203 A CB -1.048 17.977 19.000 0.042 0.000 0.810 203 A HN 0.950 nan 8.150 nan 0.000 0.448 204 L N -0.018 121.198 121.223 -0.011 0.000 2.017 204 L HA -0.180 4.159 4.340 -0.002 0.000 0.208 204 L C 1.760 178.578 176.870 -0.086 0.000 1.073 204 L CA 2.463 57.287 54.840 -0.026 0.000 0.745 204 L CB -0.517 41.553 42.059 0.018 0.000 0.894 204 L HN 0.325 nan 8.230 nan 0.000 0.432 205 D N -0.463 119.883 120.400 -0.090 0.000 2.133 205 D HA -0.241 4.398 4.640 -0.002 0.000 0.195 205 D C 2.138 178.133 176.300 -0.508 0.000 0.997 205 D CA 1.694 55.519 54.000 -0.292 0.000 0.840 205 D CB -0.320 40.430 40.800 -0.084 0.000 0.947 205 D HN 0.327 nan 8.370 nan 0.000 0.452 206 L N 0.795 121.832 121.223 -0.310 0.000 2.056 206 L HA -0.081 4.258 4.340 -0.002 0.000 0.207 206 L C 2.143 178.936 176.870 -0.129 0.000 1.078 206 L CA 1.573 56.236 54.840 -0.295 0.000 0.749 206 L CB -0.077 41.756 42.059 -0.375 0.000 0.901 206 L HN -0.121 nan 8.230 nan 0.000 0.433 207 R N -1.189 119.235 120.500 -0.127 0.000 2.153 207 R HA -0.073 4.266 4.340 -0.002 0.000 0.218 207 R C 2.162 178.421 176.300 -0.068 0.000 1.072 207 R CA 0.961 57.024 56.100 -0.062 0.000 0.990 207 R CB -0.255 30.009 30.300 -0.061 0.000 0.889 207 R HN 0.561 nan 8.270 nan 0.000 0.452 208 Q N 0.480 120.206 119.800 -0.124 0.000 2.046 208 Q HA -0.078 4.261 4.340 -0.002 0.000 0.200 208 Q C 2.228 178.195 176.000 -0.055 0.000 0.975 208 Q CA 1.575 57.333 55.803 -0.075 0.000 0.836 208 Q CB -0.112 28.604 28.738 -0.037 0.000 0.896 208 Q HN 0.335 nan 8.270 nan 0.000 0.428 209 A N 0.804 123.500 122.820 -0.206 0.000 1.972 209 A HA -0.264 4.055 4.320 -0.002 0.000 0.219 209 A C 1.956 179.576 177.584 0.060 0.000 1.169 209 A CA 1.541 53.570 52.037 -0.014 0.000 0.635 209 A CB -0.510 18.466 19.000 -0.041 0.000 0.810 209 A HN 0.390 nan 8.150 nan 0.000 0.446 210 Q N -0.342 119.481 119.800 0.037 0.000 2.079 210 Q HA -0.164 4.175 4.340 -0.002 0.000 0.200 210 Q C 2.232 178.154 176.000 -0.129 0.000 0.974 210 Q CA 2.235 57.949 55.803 -0.147 0.000 0.840 210 Q CB -0.302 28.371 28.738 -0.108 0.000 0.898 210 Q HN 0.809 nan 8.270 nan 0.000 0.430 211 T N -1.793 112.717 114.554 -0.072 0.000 2.833 211 T HA -0.059 4.290 4.350 -0.002 0.000 0.269 211 T C 1.809 176.476 174.700 -0.055 0.000 1.054 211 T CA 1.133 63.201 62.100 -0.053 0.000 1.135 211 T CB -0.354 68.497 68.868 -0.029 0.000 0.869 211 T HN 0.322 nan 8.240 nan 0.000 0.466 212 A N 0.978 123.738 122.820 -0.100 0.000 1.898 212 A HA 0.119 4.438 4.320 -0.002 0.000 0.216 212 A C 2.632 180.170 177.584 -0.076 0.000 1.181 212 A CA 1.498 53.412 52.037 -0.206 0.000 0.620 212 A CB -0.990 17.716 19.000 -0.490 0.000 0.819 212 A HN 0.425 nan 8.150 nan 0.000 0.442 213 V N 0.347 120.225 119.914 -0.060 0.000 2.270 213 V HA -0.174 3.945 4.120 -0.002 0.000 0.245 213 V C 2.492 178.588 176.094 0.004 0.000 1.043 213 V CA 2.034 64.343 62.300 0.015 0.000 1.014 213 V CB -0.687 31.052 31.823 -0.141 0.000 0.645 213 V HN 0.515 nan 8.190 nan 0.000 0.447 214 E N 0.638 120.809 120.200 -0.049 0.000 2.204 214 E HA -0.114 4.235 4.350 -0.002 0.000 0.194 214 E C 2.283 178.888 176.600 0.008 0.000 0.989 214 E CA 1.282 57.660 56.400 -0.037 0.000 0.824 214 E CB -0.629 29.035 29.700 -0.060 0.000 0.756 214 E HN 0.619 nan 8.360 nan 0.000 0.477 215 G N 1.195 110.018 108.800 0.038 0.000 2.408 215 G HA2 -0.143 3.816 3.960 -0.002 0.000 0.217 215 G HA3 -0.143 3.816 3.960 -0.002 0.000 0.217 215 G C 1.719 176.699 174.900 0.133 0.000 1.150 215 G CA 0.909 46.056 45.100 0.078 0.000 0.776 215 G HN 0.386 nan 8.290 nan 0.000 0.542 216 A N 0.437 123.357 122.820 0.167 0.000 1.968 216 A HA 0.113 4.432 4.320 -0.002 0.000 0.217 216 A C 2.279 179.906 177.584 0.072 0.000 1.169 216 A CA 1.569 53.694 52.037 0.145 0.000 0.638 216 A CB -0.354 18.680 19.000 0.056 0.000 0.812 216 A HN 0.333 nan 8.150 nan 0.000 0.446 217 R N -0.392 120.133 120.500 0.041 0.000 2.096 217 R HA -0.092 4.247 4.340 -0.002 0.000 0.235 217 R C 2.204 178.511 176.300 0.011 0.000 1.127 217 R CA 1.396 57.503 56.100 0.011 0.000 0.968 217 R CB -0.303 29.991 30.300 -0.010 0.000 0.861 217 R HN 0.460 nan 8.270 nan 0.000 0.440 218 A N -0.760 122.068 122.820 0.014 0.000 1.970 218 A HA -0.053 4.266 4.320 -0.002 0.000 0.216 218 A C 1.986 179.556 177.584 -0.022 0.000 1.170 218 A CA 1.570 53.603 52.037 -0.006 0.000 0.645 218 A CB -0.375 18.620 19.000 -0.009 0.000 0.816 218 A HN 0.380 nan 8.150 nan 0.000 0.447 219 T N 0.108 114.670 114.554 0.013 0.000 2.904 219 T HA -0.071 4.278 4.350 -0.002 0.000 0.267 219 T C 1.768 176.471 174.700 0.005 0.000 1.059 219 T CA 1.270 63.355 62.100 -0.026 0.000 1.137 219 T CB -0.246 68.710 68.868 0.148 0.000 0.879 219 T HN 0.270 nan 8.240 nan 0.000 0.467 220 L N 1.662 122.928 121.223 0.071 0.000 2.017 220 L HA 0.129 4.468 4.340 -0.002 0.000 0.208 220 L C 2.604 179.508 176.870 0.056 0.000 1.073 220 L CA 1.751 56.647 54.840 0.092 0.000 0.745 220 L CB -0.993 41.097 42.059 0.050 0.000 0.894 220 L HN 0.229 nan 8.230 nan 0.000 0.432 221 A N -1.423 121.405 122.820 0.012 0.000 2.015 221 A HA -0.219 4.100 4.320 -0.002 0.000 0.219 221 A C 2.275 179.848 177.584 -0.019 0.000 1.163 221 A CA 1.517 53.554 52.037 -0.001 0.000 0.646 221 A CB -0.576 18.418 19.000 -0.011 0.000 0.806 221 A HN 0.652 nan 8.150 nan 0.000 0.448 222 Q N -1.234 118.522 119.800 -0.073 0.000 2.016 222 Q HA -0.173 4.166 4.340 -0.002 0.000 0.200 222 Q C 1.749 177.698 176.000 -0.086 0.000 0.978 222 Q CA 1.694 57.414 55.803 -0.138 0.000 0.833 222 Q CB -0.234 28.335 28.738 -0.282 0.000 0.895 222 Q HN 0.811 nan 8.270 nan 0.000 0.427 223 Y N 0.160 120.464 120.300 0.006 0.000 2.352 223 Y HA -0.134 4.415 4.550 -0.002 0.000 0.292 223 Y C 2.515 178.411 175.900 -0.006 0.000 1.136 223 Y CA 1.064 59.164 58.100 -0.000 0.000 1.227 223 Y CB 0.177 38.642 38.460 0.008 0.000 0.991 223 Y HN 0.216 nan 8.280 nan 0.000 0.545 224 T N -0.207 114.428 114.554 0.135 0.000 2.777 224 T HA -0.202 4.147 4.350 -0.002 0.000 0.266 224 T C 1.864 176.594 174.700 0.049 0.000 1.040 224 T CA 1.340 63.483 62.100 0.072 0.000 1.141 224 T CB -0.202 68.692 68.868 0.044 0.000 0.868 224 T HN 0.314 nan 8.240 nan 0.000 0.444 225 R N 0.668 121.190 120.500 0.037 0.000 2.066 225 R HA 0.050 4.389 4.340 -0.002 0.000 0.232 225 R C 2.420 178.740 176.300 0.033 0.000 1.131 225 R CA 1.018 57.132 56.100 0.022 0.000 0.955 225 R CB -0.429 29.874 30.300 0.004 0.000 0.851 225 R HN 0.337 nan 8.270 nan 0.000 0.432 226 L N 0.417 121.674 121.223 0.057 0.000 2.079 226 L HA -0.186 4.153 4.340 -0.002 0.000 0.210 226 L C 2.468 179.370 176.870 0.055 0.000 1.081 226 L CA 1.089 55.971 54.840 0.069 0.000 0.752 226 L CB -0.403 41.737 42.059 0.135 0.000 0.896 226 L HN 0.137 nan 8.230 nan 0.000 0.433 227 V N 0.095 120.043 119.914 0.057 0.000 2.295 227 V HA -0.314 3.805 4.120 -0.002 0.000 0.246 227 V C 2.742 178.841 176.094 0.009 0.000 1.049 227 V CA 1.925 64.238 62.300 0.020 0.000 1.024 227 V CB -0.771 31.060 31.823 0.013 0.000 0.648 227 V HN 0.501 nan 8.190 nan 0.000 0.447 228 A N -1.020 121.809 122.820 0.015 0.000 1.902 228 A HA -0.264 4.055 4.320 -0.002 0.000 0.217 228 A C 2.141 179.730 177.584 0.008 0.000 1.181 228 A CA 1.785 53.828 52.037 0.009 0.000 0.623 228 A CB -0.441 18.565 19.000 0.010 0.000 0.818 228 A HN 0.639 nan 8.150 nan 0.000 0.443 229 Q N -0.593 119.214 119.800 0.011 0.000 2.230 229 Q HA -0.130 4.209 4.340 -0.002 0.000 0.202 229 Q C 1.072 177.077 176.000 0.008 0.000 0.963 229 Q CA 1.126 56.934 55.803 0.009 0.000 0.866 229 Q CB -0.114 28.630 28.738 0.011 0.000 0.931 229 Q HN 0.577 nan 8.270 nan 0.000 0.452 230 D N 0.665 121.069 120.400 0.007 0.000 2.183 230 D HA -0.119 4.520 4.640 -0.002 0.000 0.203 230 D C 1.699 177.999 176.300 -0.001 0.000 0.969 230 D CA 0.974 54.974 54.000 0.000 0.000 0.842 230 D CB 0.093 40.886 40.800 -0.010 0.000 0.957 230 D HN 0.299 nan 8.370 nan 0.000 0.484 231 Q N 0.152 119.952 119.800 -0.000 0.000 2.123 231 Q HA -0.057 4.282 4.340 -0.002 0.000 0.199 231 Q C 1.817 177.821 176.000 0.006 0.000 0.966 231 Q CA 0.608 56.413 55.803 0.003 0.000 0.845 231 Q CB 0.111 28.850 28.738 0.002 0.000 0.907 231 Q HN 0.193 nan 8.270 nan 0.000 0.439 232 N N 0.843 119.546 118.700 0.005 0.000 2.120 232 N HA -0.152 4.587 4.740 -0.002 0.000 0.188 232 N C 1.635 177.148 175.510 0.005 0.000 1.024 232 N CA 1.439 54.492 53.050 0.005 0.000 0.852 232 N CB -0.336 38.154 38.487 0.005 0.000 1.003 232 N HN 0.223 nan 8.380 nan 0.000 0.424 233 A N 0.908 123.732 122.820 0.006 0.000 1.933 233 A HA -0.068 4.251 4.320 -0.002 0.000 0.218 233 A C 2.245 179.833 177.584 0.005 0.000 1.175 233 A CA 0.885 52.926 52.037 0.006 0.000 0.628 233 A CB -0.599 18.405 19.000 0.007 0.000 0.814 233 A HN 0.237 nan 8.150 nan 0.000 0.444 234 L N -0.282 120.947 121.223 0.009 0.000 2.056 234 L HA -0.058 4.281 4.340 -0.002 0.000 0.207 234 L C 2.322 179.194 176.870 0.003 0.000 1.078 234 L CA 1.683 56.531 54.840 0.012 0.000 0.749 234 L CB -0.411 41.667 42.059 0.032 0.000 0.901 234 L HN 0.127 nan 8.230 nan 0.000 0.433 235 V N -0.382 119.534 119.914 0.004 0.000 2.407 235 V HA -0.257 3.862 4.120 -0.002 0.000 0.248 235 V C 2.498 178.590 176.094 -0.004 0.000 1.055 235 V CA 1.655 63.955 62.300 0.000 0.000 1.049 235 V CB -0.606 31.218 31.823 0.003 0.000 0.662 235 V HN 0.526 nan 8.190 nan 0.000 0.455 236 L N -0.414 120.808 121.223 -0.002 0.000 2.042 236 L HA -0.155 4.184 4.340 -0.002 0.000 0.210 236 L C 2.148 179.014 176.870 -0.007 0.000 1.076 236 L CA 1.947 56.785 54.840 -0.003 0.000 0.749 236 L CB -0.426 41.633 42.059 0.000 0.000 0.893 236 L HN 0.207 nan 8.230 nan 0.000 0.432 237 L N -1.431 119.785 121.223 -0.011 0.000 2.156 237 L HA -0.174 4.165 4.340 -0.002 0.000 0.208 237 L C 2.422 179.273 176.870 -0.033 0.000 1.095 237 L CA 0.856 55.684 54.840 -0.021 0.000 0.770 237 L CB -0.402 41.643 42.059 -0.024 0.000 0.914 237 L HN 0.306 nan 8.230 nan 0.000 0.439 238 L N -0.495 120.709 121.223 -0.031 0.000 2.093 238 L HA -0.079 4.260 4.340 -0.002 0.000 0.208 238 L C 1.742 178.595 176.870 -0.028 0.000 1.085 238 L CA 1.155 55.972 54.840 -0.038 0.000 0.755 238 L CB -0.751 41.289 42.059 -0.031 0.000 0.904 238 L HN 0.516 nan 8.230 nan 0.000 0.435 239 G N -0.309 108.480 108.800 -0.017 0.000 2.157 239 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.239 239 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.239 239 G C 0.263 175.159 174.900 -0.007 0.000 0.982 239 G CA 0.274 45.368 45.100 -0.010 0.000 0.650 239 G HN 0.588 nan 8.290 nan 0.000 0.527 240 S N -2.005 113.690 115.700 -0.008 0.000 2.703 240 S HA 0.786 5.255 4.470 -0.002 0.000 0.273 240 S C 0.364 174.961 174.600 -0.005 0.000 1.178 240 S CA 0.331 58.528 58.200 -0.005 0.000 0.838 240 S CB 0.978 64.176 63.200 -0.005 0.000 1.178 240 S HN 1.768 nan 8.310 nan 0.000 0.494 241 G N -0.189 108.610 108.800 -0.002 0.000 2.634 241 G HA2 0.530 4.489 3.960 -0.002 0.000 0.255 241 G HA3 0.530 4.489 3.960 -0.002 0.000 0.255 241 G C -0.196 174.704 174.900 -0.001 0.000 1.205 241 G CA -1.025 44.074 45.100 -0.000 0.000 0.884 241 G HN 0.761 nan 8.290 nan 0.000 0.549 242 I N 1.763 122.335 120.570 0.003 0.000 2.598 242 I HA 0.086 4.255 4.170 -0.002 0.000 0.284 242 I C -1.561 174.559 176.117 0.004 0.000 1.140 242 I CA -1.156 60.147 61.300 0.005 0.000 1.420 242 I CB 0.743 38.752 38.000 0.015 0.000 1.387 242 I HN 0.245 nan 8.210 nan 0.000 0.553 243 P HA 0.094 nan 4.420 nan 0.000 0.269 243 P C 0.170 177.473 177.300 0.004 0.000 1.215 243 P CA -0.278 62.823 63.100 0.001 0.000 0.780 243 P CB 0.878 32.577 31.700 -0.003 0.000 0.898 244 A N 2.036 124.858 122.820 0.004 0.000 2.081 244 A HA -0.008 4.311 4.320 -0.002 0.000 0.214 244 A C 0.940 178.527 177.584 0.005 0.000 1.158 244 A CA 0.748 52.788 52.037 0.005 0.000 0.724 244 A CB -0.398 18.604 19.000 0.004 0.000 0.826 244 A HN 0.521 nan 8.150 nan 0.000 0.463 245 N N 0.314 119.016 118.700 0.004 0.000 2.467 245 N HA 0.275 5.014 4.740 -0.002 0.000 0.278 245 N C -0.759 174.753 175.510 0.004 0.000 1.306 245 N CA -0.066 52.987 53.050 0.004 0.000 0.905 245 N CB 0.459 38.948 38.487 0.003 0.000 1.236 245 N HN 0.345 nan 8.380 nan 0.000 0.509 246 L N 1.561 122.788 121.223 0.006 0.000 2.456 246 L HA 0.192 4.531 4.340 -0.002 0.000 0.272 246 L C -1.519 175.356 176.870 0.009 0.000 1.189 246 L CA -1.093 53.751 54.840 0.006 0.000 0.846 246 L CB -0.073 41.993 42.059 0.011 0.000 1.111 246 L HN -0.068 nan 8.230 nan 0.000 0.475 247 P HA 0.032 nan 4.420 nan 0.000 0.273 247 P C -0.968 176.342 177.300 0.017 0.000 1.250 247 P CA -0.608 62.497 63.100 0.008 0.000 0.793 247 P CB 0.372 32.075 31.700 0.004 0.000 1.011 248 Q N 0.160 119.970 119.800 0.017 0.000 2.289 248 Q HA 0.320 4.659 4.340 -0.002 0.000 0.273 248 Q C 0.382 176.404 176.000 0.037 0.000 1.029 248 Q CA -0.192 55.625 55.803 0.024 0.000 0.896 248 Q CB 0.138 28.885 28.738 0.015 0.000 1.182 248 Q HN 0.630 nan 8.270 nan 0.000 0.385 249 G N 3.234 112.070 108.800 0.060 0.000 2.616 249 G HA2 0.411 4.370 3.960 -0.002 0.000 0.268 249 G HA3 0.411 4.370 3.960 -0.002 0.000 0.268 249 G C -0.673 174.267 174.900 0.067 0.000 1.213 249 G CA -0.657 44.503 45.100 0.100 0.000 0.926 249 G HN 0.625 nan 8.290 nan 0.000 0.523 250 L N 0.068 121.340 121.223 0.080 0.000 2.334 250 L HA 0.541 4.880 4.340 -0.002 0.000 0.272 250 L C 1.172 178.055 176.870 0.022 0.000 1.020 250 L CA -0.942 53.923 54.840 0.041 0.000 0.812 250 L CB 1.677 43.758 42.059 0.035 0.000 1.264 250 L HN 0.661 nan 8.230 nan 0.000 0.439 251 G N 0.850 109.648 108.800 -0.003 0.000 2.572 251 G HA2 0.335 4.294 3.960 -0.002 0.000 0.261 251 G HA3 0.335 4.294 3.960 -0.002 0.000 0.261 251 G C 0.695 175.577 174.900 -0.029 0.000 1.197 251 G CA -0.569 44.517 45.100 -0.024 0.000 0.870 251 G HN 0.651 nan 8.290 nan 0.000 0.548 252 L N 0.260 121.454 121.223 -0.047 0.000 2.465 252 L HA 0.017 4.356 4.340 -0.002 0.000 0.224 252 L C 1.956 178.800 176.870 -0.043 0.000 1.145 252 L CA 0.788 55.598 54.840 -0.051 0.000 0.834 252 L CB -0.082 41.935 42.059 -0.070 0.000 0.944 252 L HN 0.686 nan 8.230 nan 0.000 0.451 253 D N -1.405 118.974 120.400 -0.036 0.000 2.349 253 D HA -0.060 4.579 4.640 -0.002 0.000 0.215 253 D C 0.710 176.995 176.300 -0.026 0.000 1.016 253 D CA 0.104 54.086 54.000 -0.029 0.000 0.870 253 D CB 0.101 40.886 40.800 -0.025 0.000 0.917 253 D HN 0.328 nan 8.370 nan 0.000 0.524 254 Q N 0.296 120.081 119.800 -0.025 0.000 2.193 254 Q HA 0.358 4.697 4.340 -0.002 0.000 0.246 254 Q C -0.360 175.621 176.000 -0.031 0.000 0.959 254 Q CA -0.553 55.236 55.803 -0.024 0.000 0.904 254 Q CB 1.302 30.029 28.738 -0.017 0.000 1.238 254 Q HN -0.065 nan 8.270 nan 0.000 0.469 255 T N 2.037 116.571 114.554 -0.035 0.000 2.784 255 T HA 0.093 4.441 4.350 -0.002 0.000 0.291 255 T C 0.816 175.480 174.700 -0.059 0.000 0.942 255 T CA 0.289 62.359 62.100 -0.050 0.000 1.161 255 T CB 0.118 68.956 68.868 -0.049 0.000 0.885 255 T HN 0.413 nan 8.240 nan 0.000 0.534 256 L N 2.584 123.760 121.223 -0.078 0.000 2.500 256 L HA 0.386 4.725 4.340 -0.002 0.000 0.219 256 L C 0.287 177.056 176.870 -0.168 0.000 1.057 256 L CA 0.390 55.185 54.840 -0.076 0.000 0.854 256 L CB 0.159 42.196 42.059 -0.036 0.000 1.078 256 L HN 0.426 nan 8.230 nan 0.000 0.480 257 L N -0.478 120.584 121.223 -0.269 0.000 2.362 257 L HA 0.373 4.712 4.340 -0.002 0.000 0.271 257 L C -0.384 176.212 176.870 -0.456 0.000 1.002 257 L CA -0.421 54.076 54.840 -0.572 0.000 0.818 257 L CB 2.155 43.798 42.059 -0.693 0.000 1.298 257 L HN -0.195 nan 8.230 nan 0.000 0.420 258 T N 1.114 115.338 114.554 -0.551 0.000 3.414 258 T HA 0.057 4.406 4.350 -0.002 0.000 0.304 258 T C 0.208 174.858 174.700 -0.083 0.000 1.241 258 T CA -0.251 61.707 62.100 -0.238 0.000 1.076 258 T CB -0.305 68.475 68.868 -0.147 0.000 1.134 258 T HN 0.517 nan 8.240 nan 0.000 0.759 259 E N 2.536 122.706 120.200 -0.049 0.000 2.966 259 E HA -0.063 4.286 4.350 -0.002 0.000 0.254 259 E C -0.382 176.291 176.600 0.122 0.000 0.923 259 E CA 0.017 56.463 56.400 0.076 0.000 0.960 259 E CB 0.423 30.140 29.700 0.028 0.000 0.901 259 E HN 0.250 nan 8.360 nan 0.000 0.525 260 V N 7.517 127.538 119.914 0.179 0.000 2.481 260 V HA 0.315 4.434 4.120 -0.002 0.000 0.286 260 V C -1.905 174.230 176.094 0.068 0.000 1.042 260 V CA -1.826 60.546 62.300 0.120 0.000 0.928 260 V CB 1.594 33.477 31.823 0.100 0.000 0.986 260 V HN 0.743 nan 8.190 nan 0.000 0.462 261 P HA 0.189 nan 4.420 nan 0.000 0.271 261 P C 0.170 177.489 177.300 0.032 0.000 1.216 261 P CA -0.141 62.984 63.100 0.041 0.000 0.771 261 P CB 1.518 33.244 31.700 0.043 0.000 0.864 262 A N 3.308 126.140 122.820 0.020 0.000 1.929 262 A HA 0.302 4.621 4.320 -0.002 0.000 0.216 262 A C 1.290 178.926 177.584 0.086 0.000 1.176 262 A CA 1.495 53.528 52.037 -0.007 0.000 0.628 262 A CB -1.414 17.535 19.000 -0.085 0.000 0.816 262 A HN 0.867 nan 8.150 nan 0.000 0.444 263 G N -1.563 107.303 108.800 0.110 0.000 2.645 263 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.239 263 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.239 263 G C -0.289 174.731 174.900 0.201 0.000 1.331 263 G CA -0.045 45.132 45.100 0.127 0.000 0.890 263 G HN 0.794 nan 8.290 nan 0.000 0.572 264 L N 1.054 122.349 121.223 0.120 0.000 2.331 264 L HA 0.406 4.745 4.340 -0.002 0.000 0.275 264 L C -1.204 175.648 176.870 -0.030 0.000 1.022 264 L CA -1.913 52.941 54.840 0.023 0.000 0.812 264 L CB 2.153 44.206 42.059 -0.010 0.000 1.257 264 L HN 0.348 nan 8.230 nan 0.000 0.435 265 P HA -0.220 nan 4.420 nan 0.000 0.217 265 P C 1.419 178.706 177.300 -0.022 0.000 1.148 265 P CA 1.451 64.417 63.100 -0.223 0.000 0.834 265 P CB 0.142 31.687 31.700 -0.259 0.000 0.783 266 S N -1.740 113.942 115.700 -0.031 0.000 2.447 266 S HA -0.137 4.332 4.470 -0.002 0.000 0.233 266 S C 1.579 176.190 174.600 0.019 0.000 1.006 266 S CA 1.080 59.278 58.200 -0.004 0.000 0.957 266 S CB -1.049 62.144 63.200 -0.012 0.000 0.773 266 S HN 0.088 nan 8.310 nan 0.000 0.507 267 D N 2.023 122.442 120.400 0.031 0.000 2.218 267 D HA 0.010 4.649 4.640 -0.002 0.000 0.204 267 D C 1.770 178.094 176.300 0.040 0.000 0.976 267 D CA 0.686 54.710 54.000 0.040 0.000 0.853 267 D CB -0.370 40.462 40.800 0.053 0.000 0.939 267 D HN 0.412 nan 8.370 nan 0.000 0.481 268 L N 0.138 121.390 121.223 0.049 0.000 2.083 268 L HA -0.121 4.218 4.340 -0.002 0.000 0.209 268 L C 2.339 179.224 176.870 0.026 0.000 1.083 268 L CA 0.643 55.507 54.840 0.040 0.000 0.752 268 L CB -0.362 41.733 42.059 0.060 0.000 0.899 268 L HN 0.063 nan 8.230 nan 0.000 0.433 269 L N -0.994 120.248 121.223 0.031 0.000 2.275 269 L HA -0.155 4.184 4.340 -0.002 0.000 0.215 269 L C 2.378 179.282 176.870 0.056 0.000 1.119 269 L CA 0.758 55.630 54.840 0.054 0.000 0.790 269 L CB -0.525 41.577 42.059 0.070 0.000 0.919 269 L HN 0.386 nan 8.230 nan 0.000 0.443 270 Q N -0.253 119.568 119.800 0.035 0.000 2.392 270 Q HA 0.083 4.422 4.340 -0.002 0.000 0.219 270 Q C 1.724 177.732 176.000 0.015 0.000 0.895 270 Q CA 0.598 56.416 55.803 0.026 0.000 0.929 270 Q CB 0.769 29.523 28.738 0.025 0.000 1.077 270 Q HN 0.510 nan 8.270 nan 0.000 0.532 271 R N -0.536 119.971 120.500 0.010 0.000 2.507 271 R HA 0.218 4.557 4.340 -0.002 0.000 0.230 271 R C 0.680 176.966 176.300 -0.023 0.000 0.897 271 R CA -0.209 55.891 56.100 -0.001 0.000 1.006 271 R CB 1.026 31.332 30.300 0.010 0.000 1.341 271 R HN -0.135 nan 8.270 nan 0.000 0.604 272 R N 2.516 123.004 120.500 -0.020 0.000 2.242 272 R HA 0.129 4.468 4.340 -0.002 0.000 0.334 272 R C -1.975 174.296 176.300 -0.048 0.000 1.071 272 R CA -1.811 54.267 56.100 -0.038 0.000 0.922 272 R CB 0.748 31.033 30.300 -0.025 0.000 1.023 272 R HN -0.143 nan 8.270 nan 0.000 0.458 273 P HA -0.189 nan 4.420 nan 0.000 0.218 273 P C 0.426 177.683 177.300 -0.073 0.000 1.146 273 P CA 0.979 64.013 63.100 -0.110 0.000 0.813 273 P CB 0.253 31.855 31.700 -0.164 0.000 0.778 274 D N -0.841 119.527 120.400 -0.053 0.000 2.117 274 D HA -0.108 4.531 4.640 -0.002 0.000 0.197 274 D C 1.868 178.163 176.300 -0.008 0.000 0.987 274 D CA 1.042 55.022 54.000 -0.034 0.000 0.829 274 D CB -0.410 40.371 40.800 -0.030 0.000 0.961 274 D HN 0.126 nan 8.370 nan 0.000 0.460 275 I N 0.155 120.724 120.570 -0.001 0.000 2.286 275 I HA -0.187 3.982 4.170 -0.002 0.000 0.245 275 I C 2.444 178.634 176.117 0.122 0.000 1.104 275 I CA 0.384 61.705 61.300 0.035 0.000 1.397 275 I CB -0.040 37.956 38.000 -0.007 0.000 1.072 275 I HN -0.013 nan 8.210 nan 0.000 0.417 276 L N 0.401 121.658 121.223 0.055 0.000 2.131 276 L HA -0.227 4.112 4.340 -0.002 0.000 0.210 276 L C 2.573 179.471 176.870 0.047 0.000 1.092 276 L CA 1.314 56.167 54.840 0.021 0.000 0.759 276 L CB -0.555 41.508 42.059 0.007 0.000 0.903 276 L HN 0.342 nan 8.230 nan 0.000 0.435 277 E N 0.510 120.735 120.200 0.041 0.000 2.051 277 E HA -0.250 4.099 4.350 -0.002 0.000 0.192 277 E C 2.191 178.811 176.600 0.034 0.000 0.991 277 E CA 1.305 57.720 56.400 0.025 0.000 0.799 277 E CB 0.006 29.683 29.700 -0.038 0.000 0.748 277 E HN 0.465 nan 8.360 nan 0.000 0.449 278 A N 0.851 123.711 122.820 0.067 0.000 2.067 278 A HA -0.188 4.131 4.320 -0.002 0.000 0.219 278 A C 1.947 179.578 177.584 0.078 0.000 1.158 278 A CA 1.459 53.559 52.037 0.106 0.000 0.661 278 A CB -0.419 18.685 19.000 0.173 0.000 0.801 278 A HN 0.435 nan 8.150 nan 0.000 0.452 279 E N -0.829 119.370 120.200 -0.002 0.000 2.046 279 E HA -0.219 4.130 4.350 -0.002 0.000 0.190 279 E C 1.805 178.185 176.600 -0.368 0.000 0.982 279 E CA 0.989 57.181 56.400 -0.347 0.000 0.800 279 E CB -0.257 29.188 29.700 -0.424 0.000 0.756 279 E HN 0.724 nan 8.360 nan 0.000 0.449 280 H N 0.222 119.181 119.070 -0.185 0.000 2.387 280 H HA -0.083 4.471 4.556 -0.002 0.000 0.299 280 H C 2.201 177.431 175.328 -0.164 0.000 1.090 280 H CA 1.311 57.238 56.048 -0.202 0.000 1.332 280 H CB 0.088 29.736 29.762 -0.190 0.000 1.386 280 H HN 0.270 nan 8.280 nan 0.000 0.516 281 Q N 0.385 120.177 119.800 -0.013 0.000 2.124 281 Q HA -0.105 4.234 4.340 -0.002 0.000 0.202 281 Q C 2.598 178.573 176.000 -0.041 0.000 0.977 281 Q CA 0.571 56.363 55.803 -0.020 0.000 0.850 281 Q CB -0.540 28.195 28.738 -0.006 0.000 0.901 281 Q HN 0.325 nan 8.270 nan 0.000 0.429 282 L N 0.142 121.317 121.223 -0.080 0.000 2.017 282 L HA -0.111 4.228 4.340 -0.002 0.000 0.208 282 L C 2.133 178.933 176.870 -0.116 0.000 1.073 282 L CA 1.690 56.483 54.840 -0.079 0.000 0.745 282 L CB -0.516 41.482 42.059 -0.102 0.000 0.894 282 L HN 0.139 nan 8.230 nan 0.000 0.432 283 M N -0.930 118.513 119.600 -0.261 0.000 2.296 283 M HA -0.118 4.361 4.480 -0.002 0.000 0.265 283 M C 2.186 178.408 176.300 -0.129 0.000 1.064 283 M CA 1.451 56.556 55.300 -0.324 0.000 1.109 283 M CB -0.467 31.834 32.600 -0.498 0.000 1.396 283 M HN 0.459 nan 8.290 nan 0.000 0.430 284 A N 0.313 123.092 122.820 -0.070 0.000 1.897 284 A HA 0.041 4.359 4.320 -0.002 0.000 0.215 284 A C 2.362 179.950 177.584 0.008 0.000 1.181 284 A CA 1.655 53.687 52.037 -0.008 0.000 0.620 284 A CB -0.760 18.250 19.000 0.017 0.000 0.821 284 A HN 0.460 nan 8.150 nan 0.000 0.443 285 A N 0.351 123.169 122.820 -0.003 0.000 1.898 285 A HA -0.189 4.130 4.320 -0.002 0.000 0.216 285 A C 1.934 179.526 177.584 0.014 0.000 1.181 285 A CA 1.983 54.023 52.037 0.006 0.000 0.620 285 A CB -0.769 18.226 19.000 -0.008 0.000 0.819 285 A HN 0.595 nan 8.150 nan 0.000 0.442 286 N N 0.461 119.169 118.700 0.012 0.000 2.094 286 N HA -0.156 4.583 4.740 -0.002 0.000 0.191 286 N C 1.643 177.174 175.510 0.035 0.000 1.023 286 N CA 2.060 55.130 53.050 0.033 0.000 0.857 286 N CB -0.337 38.181 38.487 0.051 0.000 1.013 286 N HN 0.377 nan 8.380 nan 0.000 0.426 287 A N -0.419 122.416 122.820 0.025 0.000 1.969 287 A HA -0.078 4.241 4.320 -0.002 0.000 0.218 287 A C 2.250 179.866 177.584 0.052 0.000 1.169 287 A CA 1.733 53.792 52.037 0.037 0.000 0.635 287 A CB -0.956 18.065 19.000 0.034 0.000 0.810 287 A HN 0.532 nan 8.150 nan 0.000 0.445 288 S N 0.011 115.744 115.700 0.055 0.000 2.447 288 S HA -0.068 4.401 4.470 -0.002 0.000 0.233 288 S C 1.740 176.387 174.600 0.080 0.000 1.006 288 S CA 1.207 59.449 58.200 0.071 0.000 0.957 288 S CB -0.716 62.529 63.200 0.075 0.000 0.773 288 S HN 0.502 nan 8.310 nan 0.000 0.507 289 I N 2.018 122.631 120.570 0.070 0.000 2.394 289 I HA -0.008 4.161 4.170 -0.002 0.000 0.251 289 I C 2.856 179.028 176.117 0.091 0.000 1.136 289 I CA 0.984 62.333 61.300 0.081 0.000 1.425 289 I CB -0.926 37.112 38.000 0.064 0.000 1.079 289 I HN 0.481 nan 8.210 nan 0.000 0.425 290 G N 0.622 109.467 108.800 0.076 0.000 2.432 290 G HA2 -0.195 3.763 3.960 -0.002 0.000 0.219 290 G HA3 -0.195 3.763 3.960 -0.002 0.000 0.219 290 G C 1.786 176.739 174.900 0.087 0.000 1.135 290 G CA 0.811 45.956 45.100 0.073 0.000 0.767 290 G HN 0.490 nan 8.290 nan 0.000 0.550 291 A N 0.506 123.378 122.820 0.086 0.000 2.072 291 A HA 0.569 4.888 4.320 -0.002 0.000 0.216 291 A C 2.619 180.262 177.584 0.099 0.000 1.156 291 A CA 1.581 53.669 52.037 0.085 0.000 0.701 291 A CB -0.290 18.753 19.000 0.072 0.000 0.816 291 A HN 0.564 nan 8.150 nan 0.000 0.458 292 A N 0.065 122.957 122.820 0.120 0.000 1.898 292 A HA -0.008 4.311 4.320 -0.002 0.000 0.214 292 A C 2.188 179.918 177.584 0.244 0.000 1.183 292 A CA 1.081 53.204 52.037 0.144 0.000 0.622 292 A CB -0.355 18.738 19.000 0.154 0.000 0.824 292 A HN 0.473 nan 8.150 nan 0.000 0.444 293 R N -0.288 120.372 120.500 0.266 0.000 2.081 293 R HA -0.090 4.249 4.340 -0.002 0.000 0.235 293 R C 2.359 178.939 176.300 0.466 0.000 1.131 293 R CA 1.230 57.556 56.100 0.377 0.000 0.960 293 R CB -0.455 29.987 30.300 0.237 0.000 0.856 293 R HN 0.484 nan 8.270 nan 0.000 0.436 294 A N 1.043 124.033 122.820 0.283 0.000 2.070 294 A HA -0.087 4.232 4.320 -0.002 0.000 0.220 294 A C 2.236 179.946 177.584 0.210 0.000 1.159 294 A CA 1.526 53.708 52.037 0.243 0.000 0.656 294 A CB -0.454 18.633 19.000 0.144 0.000 0.800 294 A HN 0.411 nan 8.150 nan 0.000 0.453 295 A N -1.437 121.462 122.820 0.133 0.000 2.067 295 A HA 0.098 4.417 4.320 -0.002 0.000 0.219 295 A C 1.715 179.210 177.584 -0.149 0.000 1.158 295 A CA 0.994 53.005 52.037 -0.044 0.000 0.661 295 A CB -0.663 18.249 19.000 -0.147 0.000 0.801 295 A HN 0.486 nan 8.150 nan 0.000 0.452 296 F N -1.503 118.429 119.950 -0.030 0.000 2.456 296 F HA 0.176 4.702 4.527 -0.001 0.000 0.298 296 F C 0.552 176.116 175.800 -0.393 0.000 1.104 296 F CA 0.295 58.172 58.000 -0.205 0.000 1.435 296 F CB -0.113 38.723 39.000 -0.273 0.000 1.078 296 F HN 0.081 nan 8.300 nan 0.000 0.546 297 F N 0.155 119.996 119.950 -0.181 0.000 2.380 297 F HA 0.378 4.904 4.527 -0.001 0.000 0.321 297 F C -1.902 173.605 175.800 -0.488 0.000 1.103 297 F CA -3.027 54.640 58.000 -0.555 0.000 1.067 297 F CB -0.272 37.987 39.000 -1.235 0.000 1.265 297 F HN -0.397 nan 8.300 nan 0.000 0.517 298 P HA -0.010 nan 4.420 nan 0.000 0.265 298 P C -0.809 176.537 177.300 0.076 0.000 1.193 298 P CA 0.044 63.123 63.100 -0.036 0.000 0.765 298 P CB 0.669 32.436 31.700 0.112 0.000 0.823 299 S N 3.280 119.008 115.700 0.046 0.000 2.429 299 S HA 0.507 4.976 4.470 -0.002 0.000 0.302 299 S C -0.413 174.203 174.600 0.026 0.000 1.115 299 S CA -0.685 57.544 58.200 0.048 0.000 1.095 299 S CB -0.406 62.795 63.200 0.002 0.000 0.987 299 S HN 0.191 nan 8.310 nan 0.000 0.474 300 I N 4.034 124.606 120.570 0.004 0.000 2.378 300 I HA 0.423 4.592 4.170 -0.002 0.000 0.291 300 I C 0.141 176.171 176.117 -0.146 0.000 0.992 300 I CA -0.370 60.892 61.300 -0.064 0.000 1.154 300 I CB 1.894 39.846 38.000 -0.080 0.000 1.315 300 I HN 0.556 nan 8.210 nan 0.000 0.448 301 S N 6.658 122.279 115.700 -0.132 0.000 2.599 301 S HA 0.855 5.324 4.470 -0.002 0.000 0.294 301 S C -1.392 173.118 174.600 -0.149 0.000 1.094 301 S CA -0.557 57.560 58.200 -0.139 0.000 0.931 301 S CB 1.835 64.992 63.200 -0.073 0.000 1.093 301 S HN 0.467 nan 8.310 nan 0.000 0.488 302 L N 2.698 123.857 121.223 -0.107 0.000 2.493 302 L HA 0.660 4.999 4.340 -0.002 0.000 0.265 302 L C -1.091 175.778 176.870 -0.002 0.000 0.954 302 L CA 0.162 54.939 54.840 -0.105 0.000 0.844 302 L CB 1.992 43.998 42.059 -0.088 0.000 1.302 302 L HN 0.721 nan 8.230 nan 0.000 0.405 303 T N 4.272 118.783 114.554 -0.072 0.000 2.791 303 T HA 0.897 5.246 4.350 -0.002 0.000 0.288 303 T C -0.613 174.070 174.700 -0.028 0.000 0.999 303 T CA -0.186 61.908 62.100 -0.011 0.000 0.952 303 T CB 1.229 70.094 68.868 -0.004 0.000 0.938 303 T HN 0.857 nan 8.240 nan 0.000 0.444 304 A N 4.281 127.129 122.820 0.046 0.000 2.408 304 A HA 0.810 5.129 4.320 -0.002 0.000 0.295 304 A C -0.555 177.100 177.584 0.118 0.000 1.040 304 A CA -1.036 51.065 52.037 0.106 0.000 0.707 304 A CB 1.113 20.206 19.000 0.155 0.000 1.235 304 A HN 0.891 nan 8.150 nan 0.000 0.418 305 N N 0.206 118.997 118.700 0.151 0.000 2.853 305 N HA 0.866 5.605 4.740 -0.002 0.000 0.258 305 N C -0.865 174.751 175.510 0.177 0.000 1.444 305 N CA -0.096 53.032 53.050 0.130 0.000 0.837 305 N CB 1.731 40.278 38.487 0.100 0.000 1.489 305 N HN 1.308 nan 8.380 nan 0.000 0.529 306 A N -1.509 121.398 122.820 0.144 0.000 2.547 306 A HA 0.942 5.261 4.320 -0.002 0.000 0.297 306 A C -0.097 177.555 177.584 0.114 0.000 1.056 306 A CA 0.027 52.166 52.037 0.171 0.000 0.688 306 A CB 1.002 20.099 19.000 0.161 0.000 1.282 306 A HN 1.521 nan 8.150 nan 0.000 0.400 307 G N -0.184 108.673 108.800 0.096 0.000 2.609 307 G HA2 0.649 4.608 3.960 -0.002 0.000 0.082 307 G HA3 0.649 4.608 3.960 -0.002 0.000 0.082 307 G C -0.360 174.517 174.900 -0.038 0.000 1.075 307 G CA 0.867 45.986 45.100 0.032 0.000 1.172 307 G HN 2.072 nan 8.290 nan 0.000 0.532 308 T N -1.813 112.653 114.554 -0.147 0.000 2.912 308 T HA 0.774 5.123 4.350 -0.002 0.000 0.299 308 T C -0.612 173.982 174.700 -0.178 0.000 1.052 308 T CA -0.518 61.453 62.100 -0.214 0.000 0.996 308 T CB 1.942 70.535 68.868 -0.458 0.000 1.070 308 T HN 0.601 nan 8.240 nan 0.000 0.465 309 M N 2.093 121.621 119.600 -0.120 0.000 2.501 309 M HA 0.706 5.185 4.480 -0.002 0.000 0.293 309 M C -0.797 175.475 176.300 -0.047 0.000 1.192 309 M CA -0.774 54.482 55.300 -0.073 0.000 0.886 309 M CB 2.612 35.176 32.600 -0.060 0.000 1.710 309 M HN 0.885 nan 8.290 nan 0.000 0.457 310 S N 0.031 115.733 115.700 0.004 0.000 2.565 310 S HA 0.494 4.963 4.470 -0.002 0.000 0.269 310 S C 0.109 174.763 174.600 0.090 0.000 1.153 310 S CA -0.683 57.538 58.200 0.034 0.000 0.835 310 S CB 1.860 65.080 63.200 0.033 0.000 1.122 310 S HN 0.832 nan 8.310 nan 0.000 0.462 311 R N 0.952 121.494 120.500 0.069 0.000 2.189 311 R HA 0.129 4.468 4.340 -0.002 0.000 0.218 311 R C 0.065 176.489 176.300 0.207 0.000 1.074 311 R CA 0.902 57.050 56.100 0.080 0.000 0.991 311 R CB -0.263 30.059 30.300 0.037 0.000 0.883 311 R HN 0.620 nan 8.270 nan 0.000 0.457 312 Q N -0.404 119.517 119.800 0.202 0.000 2.375 312 Q HA 0.175 4.514 4.340 -0.002 0.000 0.271 312 Q C 0.238 176.249 176.000 0.017 0.000 1.074 312 Q CA -0.494 55.405 55.803 0.161 0.000 0.808 312 Q CB 2.150 30.924 28.738 0.061 0.000 1.327 312 Q HN -0.139 nan 8.270 nan 0.000 0.441 313 L N 1.586 122.616 121.223 -0.321 0.000 2.191 313 L HA -0.167 4.172 4.340 -0.002 0.000 0.212 313 L C 1.889 178.657 176.870 -0.170 0.000 1.103 313 L CA 2.216 56.771 54.840 -0.475 0.000 0.769 313 L CB -0.360 41.273 42.059 -0.710 0.000 0.908 313 L HN 0.830 nan 8.230 nan 0.000 0.438 314 S N -2.073 113.567 115.700 -0.100 0.000 2.453 314 S HA 0.013 4.482 4.470 -0.002 0.000 0.231 314 S C 1.712 176.312 174.600 0.000 0.000 1.005 314 S CA 0.543 58.722 58.200 -0.035 0.000 0.949 314 S CB -0.717 62.469 63.200 -0.024 0.000 0.774 314 S HN 0.417 nan 8.310 nan 0.000 0.510 315 G N 0.492 109.292 108.800 -0.001 0.000 3.434 315 G HA2 0.431 4.389 3.960 -0.002 0.000 0.258 315 G HA3 0.431 4.389 3.960 -0.002 0.000 0.258 315 G C 0.907 175.804 174.900 -0.004 0.000 1.128 315 G CA -0.325 44.782 45.100 0.011 0.000 0.792 315 G HN 0.416 nan 8.290 nan 0.000 0.539 316 L N -0.786 120.428 121.223 -0.014 0.000 1.961 316 L HA 0.080 4.418 4.340 -0.002 0.000 0.210 316 L C 1.743 178.474 176.870 -0.232 0.000 1.072 316 L CA 1.194 55.956 54.840 -0.129 0.000 0.749 316 L CB -0.217 41.760 42.059 -0.137 0.000 0.889 316 L HN 0.218 nan 8.230 nan 0.000 0.432 317 F N -0.784 119.170 119.950 0.007 0.000 2.660 317 F HA 0.112 4.638 4.527 -0.002 0.000 0.297 317 F C 0.805 176.611 175.800 0.009 0.000 1.132 317 F CA -0.564 57.442 58.000 0.010 0.000 1.372 317 F CB -0.214 38.790 39.000 0.007 0.000 1.003 317 F HN 0.021 nan 8.300 nan 0.000 0.524 318 D N 0.829 121.295 120.400 0.109 0.000 2.358 318 D HA 0.328 4.967 4.640 -0.002 0.000 0.244 318 D C 0.077 176.410 176.300 0.054 0.000 1.163 318 D CA -0.122 53.922 54.000 0.074 0.000 0.945 318 D CB 1.205 42.031 40.800 0.043 0.000 1.152 318 D HN 0.116 nan 8.370 nan 0.000 0.451 319 A N 0.124 122.971 122.820 0.045 0.000 2.520 319 A HA 0.480 4.798 4.320 -0.002 0.000 0.245 319 A C 1.233 178.829 177.584 0.021 0.000 1.072 319 A CA 0.552 52.610 52.037 0.035 0.000 0.761 319 A CB -0.304 18.714 19.000 0.030 0.000 1.004 319 A HN 0.940 nan 8.150 nan 0.000 0.499 320 G N 1.354 110.164 108.800 0.017 0.000 2.148 320 G HA2 -0.229 3.729 3.960 -0.002 0.000 0.254 320 G HA3 -0.229 3.729 3.960 -0.002 0.000 0.254 320 G C 0.809 175.702 174.900 -0.011 0.000 0.981 320 G CA 1.068 46.170 45.100 0.004 0.000 0.670 320 G HN 2.127 nan 8.290 nan 0.000 0.528 321 S N -0.349 115.344 115.700 -0.013 0.000 2.597 321 S HA 0.554 5.023 4.470 -0.002 0.000 0.224 321 S C 1.281 175.850 174.600 -0.051 0.000 0.955 321 S CA 0.692 58.870 58.200 -0.037 0.000 0.933 321 S CB 0.603 63.776 63.200 -0.045 0.000 0.788 321 S HN 1.576 nan 8.310 nan 0.000 0.488 322 G N 1.561 110.344 108.800 -0.028 0.000 2.441 322 G HA2 0.456 4.415 3.960 -0.002 0.000 0.243 322 G HA3 0.456 4.415 3.960 -0.002 0.000 0.243 322 G C -0.259 174.612 174.900 -0.048 0.000 1.281 322 G CA 0.133 45.226 45.100 -0.012 0.000 0.854 322 G HN 0.849 nan 8.290 nan 0.000 0.560 323 S N 0.642 116.330 115.700 -0.020 0.000 2.550 323 S HA 0.773 5.242 4.470 -0.002 0.000 0.270 323 S C -1.193 173.463 174.600 0.093 0.000 1.145 323 S CA -0.930 57.228 58.200 -0.071 0.000 0.852 323 S CB 1.693 64.842 63.200 -0.085 0.000 1.119 323 S HN 1.565 nan 8.310 nan 0.000 0.465 324 W N 1.256 122.569 121.300 0.022 0.000 3.047 324 W HA 0.879 5.538 4.660 -0.002 0.000 0.341 324 W C -2.516 174.039 176.519 0.061 0.000 1.225 324 W CA -1.309 56.062 57.345 0.043 0.000 1.150 324 W CB 0.719 30.209 29.460 0.051 0.000 1.470 324 W HN 0.825 nan 8.180 nan 0.000 0.578 325 L N 2.685 124.232 121.223 0.540 0.000 2.455 325 L HA 0.759 5.098 4.340 -0.002 0.000 0.264 325 L C -2.167 174.979 176.870 0.460 0.000 0.968 325 L CA -0.926 54.164 54.840 0.417 0.000 0.827 325 L CB 1.923 44.101 42.059 0.198 0.000 1.317 325 L HN 0.528 nan 8.230 nan 0.000 0.407 326 F N 3.932 124.033 119.950 0.252 0.000 2.553 326 F HA 0.517 5.043 4.527 -0.001 0.000 0.335 326 F C -0.500 175.370 175.800 0.117 0.000 1.148 326 F CA -0.005 58.087 58.000 0.152 0.000 0.963 326 F CB 1.373 40.445 39.000 0.121 0.000 1.217 326 F HN 0.613 nan 8.300 nan 0.000 0.441 327 Q N 8.038 127.674 119.800 -0.273 0.000 3.230 327 Q HA 0.323 4.662 4.340 -0.002 0.000 0.303 327 Q C -2.642 173.204 176.000 -0.257 0.000 0.884 327 Q CA -2.091 53.617 55.803 -0.159 0.000 0.859 327 Q CB 1.235 29.945 28.738 -0.048 0.000 1.432 327 Q HN 0.302 nan 8.270 nan 0.000 0.403 328 P HA 0.210 nan 4.420 nan 0.000 0.274 328 P C -0.802 176.433 177.300 -0.108 0.000 1.237 328 P CA -0.179 62.769 63.100 -0.254 0.000 0.793 328 P CB 1.648 33.211 31.700 -0.228 0.000 0.977 329 S N 1.023 116.670 115.700 -0.087 0.000 2.540 329 S HA 0.633 5.102 4.470 -0.002 0.000 0.275 329 S C -0.634 173.944 174.600 -0.036 0.000 1.123 329 S CA -0.574 57.598 58.200 -0.047 0.000 0.907 329 S CB 1.283 64.457 63.200 -0.043 0.000 1.081 329 S HN 0.545 nan 8.310 nan 0.000 0.476 330 I N 2.857 123.419 120.570 -0.014 0.000 2.533 330 I HA 0.525 4.694 4.170 -0.002 0.000 0.290 330 I C -1.541 174.577 176.117 0.002 0.000 1.056 330 I CA -0.379 60.922 61.300 0.001 0.000 1.057 330 I CB 1.348 39.361 38.000 0.022 0.000 1.240 330 I HN 0.620 nan 8.210 nan 0.000 0.423 331 N N 7.642 126.341 118.700 -0.001 0.000 2.399 331 N HA 0.346 5.085 4.740 -0.002 0.000 0.284 331 N C -2.143 173.356 175.510 -0.018 0.000 1.025 331 N CA -0.498 52.546 53.050 -0.011 0.000 0.885 331 N CB 2.338 40.813 38.487 -0.020 0.000 1.339 331 N HN 0.617 nan 8.380 nan 0.000 0.487 332 L N 5.383 126.592 121.223 -0.022 0.000 2.316 332 L HA 0.620 4.959 4.340 -0.002 0.000 0.280 332 L C -2.458 174.383 176.870 -0.047 0.000 1.006 332 L CA -1.500 53.315 54.840 -0.043 0.000 0.836 332 L CB 1.099 43.138 42.059 -0.034 0.000 1.221 332 L HN 0.434 nan 8.230 nan 0.000 0.418 333 P HA 0.178 nan 4.420 nan 0.000 0.268 333 P C 0.067 177.341 177.300 -0.042 0.000 1.204 333 P CA -0.193 62.864 63.100 -0.073 0.000 0.768 333 P CB 0.799 32.417 31.700 -0.137 0.000 0.842 334 I N 1.354 121.924 120.570 0.001 0.000 3.345 334 I HA 0.177 4.346 4.170 -0.002 0.000 0.258 334 I C 0.545 176.732 176.117 0.117 0.000 1.134 334 I CA 0.650 61.978 61.300 0.047 0.000 1.457 334 I CB -0.703 37.330 38.000 0.055 0.000 1.425 334 I HN 0.209 nan 8.210 nan 0.000 0.461 335 F N 2.496 122.426 119.950 -0.034 0.000 2.427 335 F HA 0.387 4.911 4.527 -0.004 0.000 0.348 335 F C 0.718 176.493 175.800 -0.041 0.000 1.125 335 F CA -0.560 57.422 58.000 -0.029 0.000 0.989 335 F CB 1.255 40.241 39.000 -0.023 0.000 1.165 335 F HN -0.030 nan 8.300 nan 0.000 0.442 336 T N 2.412 116.528 114.554 -0.731 0.000 3.084 336 T HA 0.453 4.802 4.350 -0.002 0.000 0.270 336 T C 0.991 175.220 174.700 -0.785 0.000 1.008 336 T CA 0.189 61.898 62.100 -0.651 0.000 0.900 336 T CB 0.288 68.937 68.868 -0.364 0.000 1.084 336 T HN 1.455 nan 8.240 nan 0.000 0.538 337 A N 0.763 122.827 122.820 -1.260 0.000 2.952 337 A HA 0.148 4.467 4.320 -0.002 0.000 0.252 337 A C 1.817 179.250 177.584 -0.253 0.000 1.323 337 A CA 1.120 52.814 52.037 -0.572 0.000 0.957 337 A CB -2.243 16.621 19.000 -0.226 0.000 1.130 337 A HN 2.127 nan 8.150 nan 0.000 0.799 338 G N -2.367 106.290 108.800 -0.238 0.000 2.157 338 G HA2 -0.106 3.853 3.960 -0.002 0.000 0.248 338 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.248 338 G C 1.271 176.110 174.900 -0.102 0.000 0.979 338 G CA 1.636 46.672 45.100 -0.107 0.000 0.650 338 G HN 1.927 nan 8.290 nan 0.000 0.529 339 S N -0.541 115.061 115.700 -0.163 0.000 2.353 339 S HA 0.020 4.489 4.470 -0.002 0.000 0.222 339 S C 2.525 177.035 174.600 -0.151 0.000 1.035 339 S CA 1.693 59.803 58.200 -0.150 0.000 1.025 339 S CB -0.204 62.887 63.200 -0.182 0.000 0.902 339 S HN 0.524 nan 8.310 nan 0.000 0.440 340 L N 0.448 121.529 121.223 -0.238 0.000 2.056 340 L HA -0.016 4.323 4.340 -0.002 0.000 0.207 340 L C 2.761 179.559 176.870 -0.120 0.000 1.078 340 L CA 1.394 55.997 54.840 -0.395 0.000 0.749 340 L CB -0.391 41.087 42.059 -0.968 0.000 0.901 340 L HN 0.260 nan 8.230 nan 0.000 0.433 341 R N 0.093 120.677 120.500 0.141 0.000 2.148 341 R HA -0.060 4.279 4.340 -0.002 0.000 0.223 341 R C 2.297 178.689 176.300 0.154 0.000 1.088 341 R CA 1.049 57.342 56.100 0.321 0.000 0.985 341 R CB -0.104 30.360 30.300 0.272 0.000 0.880 341 R HN 0.313 nan 8.270 nan 0.000 0.451 342 A N -0.357 122.507 122.820 0.074 0.000 1.930 342 A HA -0.084 4.235 4.320 -0.002 0.000 0.217 342 A C 2.095 179.731 177.584 0.085 0.000 1.175 342 A CA 1.667 53.741 52.037 0.061 0.000 0.627 342 A CB -0.426 18.582 19.000 0.013 0.000 0.815 342 A HN 0.355 nan 8.150 nan 0.000 0.443 343 S N -0.529 115.200 115.700 0.049 0.000 2.382 343 S HA -0.128 4.341 4.470 -0.002 0.000 0.228 343 S C 1.841 176.539 174.600 0.163 0.000 1.027 343 S CA 1.446 59.688 58.200 0.069 0.000 0.991 343 S CB -0.345 62.850 63.200 -0.009 0.000 0.823 343 S HN 0.478 nan 8.310 nan 0.000 0.469 344 L N 2.191 123.518 121.223 0.174 0.000 2.072 344 L HA -0.048 4.290 4.340 -0.002 0.000 0.205 344 L C 1.554 178.514 176.870 0.152 0.000 1.079 344 L CA 1.792 56.750 54.840 0.197 0.000 0.752 344 L CB -0.826 41.403 42.059 0.283 0.000 0.906 344 L HN 0.076 nan 8.230 nan 0.000 0.436 345 D N -1.286 119.199 120.400 0.142 0.000 2.104 345 D HA -0.286 4.353 4.640 -0.002 0.000 0.194 345 D C 2.027 178.399 176.300 0.120 0.000 0.994 345 D CA 1.771 55.837 54.000 0.109 0.000 0.830 345 D CB -0.391 40.468 40.800 0.098 0.000 0.959 345 D HN 0.465 nan 8.370 nan 0.000 0.452 346 Y N 1.629 121.951 120.300 0.036 0.000 2.128 346 Y HA -0.252 4.298 4.550 -0.000 0.000 0.284 346 Y C 2.312 178.233 175.900 0.035 0.000 1.154 346 Y CA 1.962 60.080 58.100 0.030 0.000 1.149 346 Y CB -0.444 38.031 38.460 0.024 0.000 0.976 346 Y HN -0.037 nan 8.280 nan 0.000 0.505 347 A N 0.263 123.156 122.820 0.121 0.000 1.908 347 A HA -0.240 4.079 4.320 -0.002 0.000 0.218 347 A C 2.214 179.786 177.584 -0.020 0.000 1.181 347 A CA 2.191 54.252 52.037 0.041 0.000 0.627 347 A CB -0.590 18.477 19.000 0.111 0.000 0.818 347 A HN 0.553 nan 8.150 nan 0.000 0.445 348 K N -0.800 119.604 120.400 0.007 0.000 2.155 348 K HA 0.063 4.382 4.320 -0.002 0.000 0.203 348 K C 1.735 178.313 176.600 -0.035 0.000 1.052 348 K CA 1.154 57.440 56.287 -0.002 0.000 0.948 348 K CB -0.260 32.251 32.500 0.019 0.000 0.728 348 K HN 0.530 nan 8.250 nan 0.000 0.448 349 I N 1.250 121.780 120.570 -0.068 0.000 2.252 349 I HA -0.269 3.899 4.170 -0.002 0.000 0.245 349 I C 2.416 178.451 176.117 -0.136 0.000 1.102 349 I CA 1.033 62.276 61.300 -0.094 0.000 1.385 349 I CB -0.141 37.798 38.000 -0.101 0.000 1.064 349 I HN 0.128 nan 8.210 nan 0.000 0.414 350 Q N 0.738 120.404 119.800 -0.223 0.000 2.124 350 Q HA -0.248 4.091 4.340 -0.002 0.000 0.202 350 Q C 2.159 178.106 176.000 -0.088 0.000 0.977 350 Q CA 1.451 57.135 55.803 -0.198 0.000 0.850 350 Q CB -0.409 28.173 28.738 -0.260 0.000 0.901 350 Q HN 0.495 nan 8.270 nan 0.000 0.429 351 K N 0.560 120.925 120.400 -0.058 0.000 2.057 351 K HA -0.151 4.168 4.320 -0.002 0.000 0.206 351 K C 1.297 177.892 176.600 -0.008 0.000 1.050 351 K CA 1.336 57.613 56.287 -0.018 0.000 0.935 351 K CB 0.164 32.665 32.500 0.000 0.000 0.715 351 K HN 0.077 nan 8.250 nan 0.000 0.439 352 D N 0.896 121.284 120.400 -0.018 0.000 2.117 352 D HA -0.143 4.496 4.640 -0.002 0.000 0.198 352 D C 1.984 178.281 176.300 -0.005 0.000 0.982 352 D CA 1.031 55.026 54.000 -0.009 0.000 0.828 352 D CB -0.139 40.653 40.800 -0.014 0.000 0.967 352 D HN 0.288 nan 8.370 nan 0.000 0.464 353 I N 1.354 121.911 120.570 -0.022 0.000 2.163 353 I HA -0.271 3.898 4.170 -0.002 0.000 0.243 353 I C 2.121 178.243 176.117 0.008 0.000 1.085 353 I CA 0.930 62.221 61.300 -0.014 0.000 1.347 353 I CB -0.227 37.751 38.000 -0.037 0.000 1.044 353 I HN -0.018 nan 8.210 nan 0.000 0.408 354 N N 0.293 118.998 118.700 0.009 0.000 2.309 354 N HA -0.098 4.641 4.740 -0.002 0.000 0.182 354 N C 1.918 177.473 175.510 0.075 0.000 1.018 354 N CA 1.016 54.085 53.050 0.033 0.000 0.876 354 N CB 0.025 38.520 38.487 0.013 0.000 0.972 354 N HN 0.190 nan 8.380 nan 0.000 0.434 355 V N 1.737 121.691 119.914 0.066 0.000 2.307 355 V HA -0.188 3.931 4.120 -0.002 0.000 0.245 355 V C 2.495 178.662 176.094 0.121 0.000 1.045 355 V CA 1.836 64.199 62.300 0.105 0.000 1.024 355 V CB -0.843 31.016 31.823 0.060 0.000 0.651 355 V HN 0.256 nan 8.190 nan 0.000 0.449 356 A N -1.028 121.830 122.820 0.063 0.000 1.933 356 A HA -0.296 4.023 4.320 -0.002 0.000 0.218 356 A C 2.154 179.761 177.584 0.040 0.000 1.175 356 A CA 2.039 54.099 52.037 0.039 0.000 0.628 356 A CB -0.454 18.557 19.000 0.018 0.000 0.814 356 A HN 0.634 nan 8.150 nan 0.000 0.444 357 Q N -2.312 117.521 119.800 0.056 0.000 2.123 357 Q HA -0.127 4.212 4.340 -0.002 0.000 0.199 357 Q C 1.952 177.998 176.000 0.077 0.000 0.966 357 Q CA 1.485 57.319 55.803 0.052 0.000 0.845 357 Q CB -0.299 28.468 28.738 0.048 0.000 0.907 357 Q HN 0.831 nan 8.270 nan 0.000 0.439 358 Y N 1.755 122.051 120.300 -0.007 0.000 2.181 358 Y HA -0.230 4.319 4.550 -0.002 0.000 0.288 358 Y C 1.641 177.537 175.900 -0.007 0.000 1.146 358 Y CA 1.778 59.874 58.100 -0.007 0.000 1.164 358 Y CB 0.072 38.533 38.460 0.002 0.000 0.982 358 Y HN 0.082 nan 8.280 nan 0.000 0.515 359 E N -0.032 120.112 120.200 -0.093 0.000 2.072 359 E HA -0.200 4.149 4.350 -0.002 0.000 0.191 359 E C 2.212 178.724 176.600 -0.146 0.000 0.985 359 E CA 1.103 57.401 56.400 -0.170 0.000 0.801 359 E CB -0.162 29.508 29.700 -0.051 0.000 0.750 359 E HN 0.354 nan 8.360 nan 0.000 0.452 360 K N 0.669 121.022 120.400 -0.078 0.000 2.097 360 K HA -0.120 4.199 4.320 -0.002 0.000 0.206 360 K C 2.122 178.685 176.600 -0.062 0.000 1.049 360 K CA 1.028 57.283 56.287 -0.053 0.000 0.933 360 K CB -0.076 32.411 32.500 -0.021 0.000 0.717 360 K HN 0.070 nan 8.250 nan 0.000 0.442 361 A N 1.106 123.875 122.820 -0.084 0.000 1.972 361 A HA -0.138 4.181 4.320 -0.002 0.000 0.219 361 A C 2.001 179.525 177.584 -0.099 0.000 1.169 361 A CA 1.300 53.290 52.037 -0.078 0.000 0.635 361 A CB -0.406 18.553 19.000 -0.069 0.000 0.810 361 A HN 0.308 nan 8.150 nan 0.000 0.446 362 I N -0.975 119.488 120.570 -0.179 0.000 2.333 362 I HA -0.236 3.933 4.170 -0.002 0.000 0.246 362 I C 2.729 178.830 176.117 -0.028 0.000 1.106 362 I CA 1.094 62.310 61.300 -0.139 0.000 1.411 362 I CB -0.358 37.488 38.000 -0.257 0.000 1.082 362 I HN 0.386 nan 8.210 nan 0.000 0.420 363 Q N 0.196 119.966 119.800 -0.050 0.000 2.084 363 Q HA -0.175 4.164 4.340 -0.002 0.000 0.202 363 Q C 2.221 178.264 176.000 0.071 0.000 0.978 363 Q CA 2.116 57.917 55.803 -0.004 0.000 0.844 363 Q CB -0.309 28.404 28.738 -0.043 0.000 0.898 363 Q HN 0.465 nan 8.270 nan 0.000 0.426 364 T N 0.898 115.474 114.554 0.037 0.000 2.788 364 T HA -0.153 4.196 4.350 -0.002 0.000 0.268 364 T C 1.884 176.626 174.700 0.071 0.000 1.044 364 T CA 1.220 63.349 62.100 0.049 0.000 1.139 364 T CB -0.234 68.646 68.868 0.020 0.000 0.867 364 T HN 0.390 nan 8.240 nan 0.000 0.454 365 A N 0.568 123.429 122.820 0.069 0.000 1.929 365 A HA 0.068 4.387 4.320 -0.002 0.000 0.216 365 A C 1.985 179.650 177.584 0.135 0.000 1.176 365 A CA 0.935 53.015 52.037 0.073 0.000 0.628 365 A CB -0.857 18.171 19.000 0.047 0.000 0.816 365 A HN 0.490 nan 8.150 nan 0.000 0.444 366 F N 0.408 120.390 119.950 0.053 0.000 2.146 366 F HA -0.184 4.342 4.527 -0.002 0.000 0.298 366 F C 2.581 178.446 175.800 0.109 0.000 1.096 366 F CA 2.111 60.185 58.000 0.123 0.000 1.275 366 F CB -0.076 38.967 39.000 0.071 0.000 1.008 366 F HN 0.310 nan 8.300 nan 0.000 0.480 367 Q N 0.855 120.828 119.800 0.288 0.000 2.096 367 Q HA -0.253 4.086 4.340 -0.002 0.000 0.204 367 Q C 1.962 178.005 176.000 0.072 0.000 0.982 367 Q CA 2.281 58.192 55.803 0.181 0.000 0.850 367 Q CB -0.310 28.515 28.738 0.145 0.000 0.901 367 Q HN 0.593 nan 8.270 nan 0.000 0.422 368 E N -0.539 119.687 120.200 0.044 0.000 2.072 368 E HA -0.124 4.225 4.350 -0.002 0.000 0.191 368 E C 2.180 178.754 176.600 -0.044 0.000 0.985 368 E CA 1.327 57.732 56.400 0.008 0.000 0.801 368 E CB 0.089 29.794 29.700 0.009 0.000 0.750 368 E HN 0.164 nan 8.360 nan 0.000 0.452 369 V N 1.458 121.310 119.914 -0.103 0.000 2.343 369 V HA -0.277 3.842 4.120 -0.002 0.000 0.247 369 V C 2.322 178.240 176.094 -0.293 0.000 1.051 369 V CA 1.868 64.026 62.300 -0.237 0.000 1.036 369 V CB -0.752 30.852 31.823 -0.366 0.000 0.654 369 V HN 0.319 nan 8.190 nan 0.000 0.451 370 A N -0.086 122.576 122.820 -0.263 0.000 1.902 370 A HA -0.241 4.078 4.320 -0.002 0.000 0.217 370 A C 1.997 179.623 177.584 0.071 0.000 1.181 370 A CA 1.971 53.939 52.037 -0.114 0.000 0.623 370 A CB -0.649 18.310 19.000 -0.068 0.000 0.818 370 A HN 0.519 nan 8.150 nan 0.000 0.443 371 D N -0.218 120.203 120.400 0.035 0.000 2.123 371 D HA -0.094 4.545 4.640 -0.002 0.000 0.196 371 D C 2.050 178.356 176.300 0.009 0.000 0.992 371 D CA 1.501 55.520 54.000 0.032 0.000 0.833 371 D CB -0.699 40.122 40.800 0.035 0.000 0.954 371 D HN 0.440 nan 8.370 nan 0.000 0.455 372 G N 0.185 108.980 108.800 -0.008 0.000 2.432 372 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.219 372 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.219 372 G C 1.665 176.559 174.900 -0.010 0.000 1.135 372 G CA 0.219 45.318 45.100 -0.002 0.000 0.767 372 G HN 0.272 nan 8.290 nan 0.000 0.550 373 L N 0.231 121.435 121.223 -0.032 0.000 2.375 373 L HA 0.209 4.548 4.340 -0.002 0.000 0.215 373 L C 3.189 180.013 176.870 -0.077 0.000 1.108 373 L CA 0.528 55.368 54.840 -0.001 0.000 0.830 373 L CB -0.090 41.983 42.059 0.024 0.000 0.959 373 L HN 0.259 nan 8.230 nan 0.000 0.457 374 A N 0.329 123.027 122.820 -0.204 0.000 1.930 374 A HA -0.101 4.218 4.320 -0.002 0.000 0.217 374 A C 2.508 179.937 177.584 -0.259 0.000 1.175 374 A CA 1.608 53.343 52.037 -0.504 0.000 0.627 374 A CB -0.450 18.296 19.000 -0.423 0.000 0.815 374 A HN 0.360 nan 8.150 nan 0.000 0.443 375 A N -0.293 122.480 122.820 -0.078 0.000 1.897 375 A HA -0.092 4.227 4.320 -0.002 0.000 0.215 375 A C 2.225 179.909 177.584 0.166 0.000 1.181 375 A CA 1.508 53.598 52.037 0.087 0.000 0.620 375 A CB -0.491 18.686 19.000 0.296 0.000 0.821 375 A HN 0.529 nan 8.150 nan 0.000 0.443 376 R N -0.471 120.084 120.500 0.092 0.000 2.083 376 R HA -0.145 4.194 4.340 -0.002 0.000 0.237 376 R C 2.033 178.361 176.300 0.046 0.000 1.137 376 R CA 1.708 57.857 56.100 0.082 0.000 0.951 376 R CB -0.620 29.707 30.300 0.045 0.000 0.851 376 R HN 0.454 nan 8.270 nan 0.000 0.434 377 G N -1.519 107.267 108.800 -0.023 0.000 2.744 377 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.211 377 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.211 377 G C 1.094 175.950 174.900 -0.072 0.000 1.143 377 G CA 0.948 46.022 45.100 -0.043 0.000 0.788 377 G HN 0.560 nan 8.290 nan 0.000 0.534 378 T N -3.885 110.605 114.554 -0.106 0.000 2.964 378 T HA 0.221 4.570 4.350 -0.002 0.000 0.249 378 T C 1.861 176.466 174.700 -0.158 0.000 1.000 378 T CA -0.317 61.678 62.100 -0.175 0.000 0.992 378 T CB -0.294 68.391 68.868 -0.305 0.000 1.087 378 T HN 0.076 nan 8.240 nan 0.000 0.489 379 F N 2.627 122.552 119.950 -0.042 0.000 2.407 379 F HA 0.023 4.549 4.527 -0.002 0.000 0.299 379 F C 2.684 178.471 175.800 -0.022 0.000 1.097 379 F CA 0.936 58.919 58.000 -0.029 0.000 1.422 379 F CB -0.380 38.606 39.000 -0.024 0.000 1.067 379 F HN 0.140 nan 8.300 nan 0.000 0.539 380 T N -0.481 114.159 114.554 0.144 0.000 2.652 380 T HA -0.215 4.134 4.350 -0.002 0.000 0.267 380 T C 1.646 176.378 174.700 0.054 0.000 1.039 380 T CA 1.706 63.854 62.100 0.080 0.000 1.153 380 T CB -0.253 68.643 68.868 0.047 0.000 0.863 380 T HN 0.120 nan 8.240 nan 0.000 0.428 381 E N 0.849 121.064 120.200 0.025 0.000 2.107 381 E HA -0.050 4.299 4.350 -0.002 0.000 0.191 381 E C 2.246 178.850 176.600 0.007 0.000 0.982 381 E CA 0.699 57.102 56.400 0.005 0.000 0.809 381 E CB -0.254 29.435 29.700 -0.019 0.000 0.756 381 E HN 0.509 nan 8.360 nan 0.000 0.459 382 Q N -0.058 119.745 119.800 0.005 0.000 2.084 382 Q HA -0.103 4.236 4.340 -0.002 0.000 0.202 382 Q C 1.937 177.977 176.000 0.068 0.000 0.978 382 Q CA 0.995 56.808 55.803 0.016 0.000 0.844 382 Q CB -0.002 28.720 28.738 -0.026 0.000 0.898 382 Q HN 0.290 nan 8.270 nan 0.000 0.426 383 L N 0.129 121.415 121.223 0.105 0.000 2.156 383 L HA -0.159 4.180 4.340 -0.002 0.000 0.208 383 L C 2.486 179.384 176.870 0.047 0.000 1.095 383 L CA 0.717 55.606 54.840 0.083 0.000 0.770 383 L CB -0.186 41.924 42.059 0.084 0.000 0.914 383 L HN 0.249 nan 8.230 nan 0.000 0.439 384 Q N 0.389 120.212 119.800 0.039 0.000 2.079 384 Q HA -0.141 4.198 4.340 -0.002 0.000 0.200 384 Q C 2.228 178.241 176.000 0.022 0.000 0.974 384 Q CA 2.060 57.879 55.803 0.025 0.000 0.840 384 Q CB -0.241 28.509 28.738 0.020 0.000 0.898 384 Q HN 0.414 nan 8.270 nan 0.000 0.430 385 A N -0.239 122.592 122.820 0.019 0.000 1.930 385 A HA -0.198 4.121 4.320 -0.002 0.000 0.217 385 A C 2.048 179.644 177.584 0.020 0.000 1.175 385 A CA 1.689 53.735 52.037 0.015 0.000 0.627 385 A CB -0.603 18.401 19.000 0.006 0.000 0.815 385 A HN 0.446 nan 8.150 nan 0.000 0.443 386 Q N -0.215 119.601 119.800 0.027 0.000 2.123 386 Q HA -0.022 4.317 4.340 -0.002 0.000 0.199 386 Q C 2.188 178.204 176.000 0.028 0.000 0.966 386 Q CA 1.462 57.283 55.803 0.029 0.000 0.845 386 Q CB -0.224 28.537 28.738 0.037 0.000 0.907 386 Q HN 0.639 nan 8.270 nan 0.000 0.439 387 R N 0.030 120.546 120.500 0.026 0.000 2.073 387 R HA -0.121 4.218 4.340 -0.002 0.000 0.234 387 R C 1.535 177.851 176.300 0.026 0.000 1.134 387 R CA 1.507 57.621 56.100 0.023 0.000 0.952 387 R CB -0.176 30.136 30.300 0.020 0.000 0.850 387 R HN 0.353 nan 8.270 nan 0.000 0.433 388 D N 0.690 121.105 120.400 0.025 0.000 2.144 388 D HA -0.147 4.492 4.640 -0.002 0.000 0.199 388 D C 1.779 178.098 176.300 0.032 0.000 0.984 388 D CA 0.691 54.706 54.000 0.025 0.000 0.834 388 D CB -0.188 40.624 40.800 0.019 0.000 0.955 388 D HN 0.049 nan 8.370 nan 0.000 0.465 389 L N 0.496 121.738 121.223 0.032 0.000 2.046 389 L HA -0.135 4.204 4.340 -0.002 0.000 0.208 389 L C 2.128 179.032 176.870 0.056 0.000 1.077 389 L CA 1.350 56.214 54.840 0.040 0.000 0.747 389 L CB -0.477 41.603 42.059 0.035 0.000 0.896 389 L HN -0.114 nan 8.230 nan 0.000 0.432 390 V N -0.107 119.836 119.914 0.048 0.000 2.343 390 V HA -0.308 3.811 4.120 -0.002 0.000 0.247 390 V C 2.667 178.798 176.094 0.062 0.000 1.051 390 V CA 2.131 64.463 62.300 0.053 0.000 1.036 390 V CB -0.694 31.151 31.823 0.037 0.000 0.654 390 V HN 0.528 nan 8.190 nan 0.000 0.451 391 K N 0.175 120.607 120.400 0.053 0.000 2.026 391 K HA -0.185 4.134 4.320 -0.002 0.000 0.208 391 K C 2.208 178.853 176.600 0.075 0.000 1.048 391 K CA 1.646 57.967 56.287 0.056 0.000 0.929 391 K CB -0.359 32.166 32.500 0.042 0.000 0.713 391 K HN 0.420 nan 8.250 nan 0.000 0.439 392 A N 0.380 123.245 122.820 0.074 0.000 1.933 392 A HA -0.120 4.199 4.320 -0.002 0.000 0.218 392 A C 2.158 179.833 177.584 0.152 0.000 1.175 392 A CA 1.985 54.075 52.037 0.088 0.000 0.628 392 A CB -0.552 18.483 19.000 0.057 0.000 0.814 392 A HN 0.347 nan 8.150 nan 0.000 0.444 393 S N -0.493 115.303 115.700 0.160 0.000 2.383 393 S HA -0.139 4.330 4.470 -0.002 0.000 0.227 393 S C 1.752 176.481 174.600 0.215 0.000 1.026 393 S CA 1.405 59.743 58.200 0.229 0.000 0.981 393 S CB -0.339 62.964 63.200 0.171 0.000 0.818 393 S HN 0.714 nan 8.310 nan 0.000 0.472 394 D N 1.058 121.554 120.400 0.160 0.000 2.144 394 D HA -0.086 4.553 4.640 -0.002 0.000 0.200 394 D C 2.031 178.452 176.300 0.201 0.000 0.978 394 D CA 0.946 55.049 54.000 0.172 0.000 0.833 394 D CB 0.022 40.891 40.800 0.114 0.000 0.961 394 D HN 0.225 nan 8.370 nan 0.000 0.470 395 E N -0.419 119.879 120.200 0.162 0.000 2.072 395 E HA -0.192 4.157 4.350 -0.002 0.000 0.191 395 E C 2.004 178.710 176.600 0.177 0.000 0.985 395 E CA 0.604 57.086 56.400 0.138 0.000 0.801 395 E CB -0.705 29.059 29.700 0.107 0.000 0.750 395 E HN 0.457 nan 8.360 nan 0.000 0.452 396 Y N 1.346 121.690 120.300 0.073 0.000 2.165 396 Y HA -0.320 4.229 4.550 -0.002 0.000 0.286 396 Y C 2.282 178.229 175.900 0.079 0.000 1.155 396 Y CA 1.526 59.664 58.100 0.063 0.000 1.164 396 Y CB -0.957 37.542 38.460 0.066 0.000 0.978 396 Y HN 0.102 nan 8.280 nan 0.000 0.513 397 Y N 1.113 121.329 120.300 -0.140 0.000 2.128 397 Y HA -0.274 4.275 4.550 -0.002 0.000 0.284 397 Y C 2.390 178.223 175.900 -0.112 0.000 1.154 397 Y CA 2.488 60.457 58.100 -0.217 0.000 1.149 397 Y CB -0.692 37.703 38.460 -0.109 0.000 0.976 397 Y HN 0.301 nan 8.280 nan 0.000 0.505 398 Q N -0.215 119.438 119.800 -0.245 0.000 2.123 398 Q HA -0.100 4.239 4.340 -0.002 0.000 0.199 398 Q C 2.311 178.185 176.000 -0.210 0.000 0.966 398 Q CA 1.614 57.229 55.803 -0.312 0.000 0.845 398 Q CB -0.100 28.594 28.738 -0.074 0.000 0.907 398 Q HN 0.518 nan 8.270 nan 0.000 0.439 399 L N -0.126 121.041 121.223 -0.093 0.000 2.056 399 L HA -0.131 4.208 4.340 -0.002 0.000 0.207 399 L C 2.477 179.312 176.870 -0.059 0.000 1.078 399 L CA 0.977 55.795 54.840 -0.036 0.000 0.749 399 L CB -0.533 41.552 42.059 0.044 0.000 0.901 399 L HN 0.187 nan 8.230 nan 0.000 0.433 400 A N -0.202 122.559 122.820 -0.099 0.000 1.933 400 A HA -0.276 4.043 4.320 -0.002 0.000 0.218 400 A C 1.940 179.434 177.584 -0.150 0.000 1.175 400 A CA 2.117 54.085 52.037 -0.116 0.000 0.628 400 A CB -0.606 18.262 19.000 -0.221 0.000 0.814 400 A HN 0.446 nan 8.150 nan 0.000 0.444 401 D N -0.681 119.551 120.400 -0.280 0.000 2.097 401 D HA -0.158 4.481 4.640 -0.002 0.000 0.197 401 D C 1.992 178.241 176.300 -0.086 0.000 0.984 401 D CA 1.550 55.406 54.000 -0.240 0.000 0.826 401 D CB -0.099 40.410 40.800 -0.485 0.000 0.973 401 D HN 0.427 nan 8.370 nan 0.000 0.460 402 K N 0.067 120.403 120.400 -0.106 0.000 2.063 402 K HA -0.148 4.171 4.320 -0.002 0.000 0.208 402 K C 2.210 178.797 176.600 -0.022 0.000 1.048 402 K CA 1.002 57.258 56.287 -0.052 0.000 0.928 402 K CB 0.026 32.495 32.500 -0.053 0.000 0.713 402 K HN 0.062 nan 8.250 nan 0.000 0.442 403 R N -0.955 119.538 120.500 -0.011 0.000 2.148 403 R HA -0.138 4.201 4.340 -0.002 0.000 0.223 403 R C 2.218 178.538 176.300 0.034 0.000 1.088 403 R CA 1.274 57.380 56.100 0.010 0.000 0.985 403 R CB -0.240 30.075 30.300 0.023 0.000 0.880 403 R HN 0.324 nan 8.270 nan 0.000 0.451 404 Y N 1.266 121.535 120.300 -0.052 0.000 2.220 404 Y HA -0.090 4.459 4.550 -0.002 0.000 0.291 404 Y C 1.999 177.904 175.900 0.007 0.000 1.129 404 Y CA 1.235 59.324 58.100 -0.019 0.000 1.161 404 Y CB 0.173 38.607 38.460 -0.042 0.000 0.997 404 Y HN -0.204 nan 8.280 nan 0.000 0.522 405 R N -0.401 120.057 120.500 -0.070 0.000 2.189 405 R HA -0.063 4.276 4.340 -0.002 0.000 0.223 405 R C 1.815 178.021 176.300 -0.156 0.000 1.092 405 R CA 1.475 57.501 56.100 -0.123 0.000 0.989 405 R CB -1.358 28.942 30.300 -0.001 0.000 0.876 405 R HN 0.382 nan 8.270 nan 0.000 0.457 406 T N -1.232 113.247 114.554 -0.126 0.000 3.035 406 T HA 0.142 4.490 4.350 -0.002 0.000 0.259 406 T C 1.284 175.911 174.700 -0.122 0.000 1.078 406 T CA 1.099 63.141 62.100 -0.097 0.000 1.132 406 T CB 0.210 69.044 68.868 -0.057 0.000 0.900 406 T HN 0.482 nan 8.240 nan 0.000 0.480 407 G N 1.076 109.772 108.800 -0.173 0.000 2.159 407 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.227 407 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.227 407 G C 1.089 175.945 174.900 -0.073 0.000 0.986 407 G CA 0.337 45.342 45.100 -0.160 0.000 0.651 407 G HN 0.782 nan 8.290 nan 0.000 0.523 408 V N -1.436 118.451 119.914 -0.046 0.000 3.217 408 V HA 0.419 4.538 4.120 -0.002 0.000 0.264 408 V C 0.539 176.642 176.094 0.016 0.000 1.135 408 V CA 1.616 63.909 62.300 -0.012 0.000 1.142 408 V CB -0.418 31.401 31.823 -0.007 0.000 0.754 408 V HN 0.908 nan 8.190 nan 0.000 0.484 409 D N -0.860 119.563 120.400 0.037 0.000 2.665 409 D HA 0.224 4.863 4.640 -0.002 0.000 0.287 409 D C -0.595 175.807 176.300 0.171 0.000 1.266 409 D CA -0.565 53.484 54.000 0.083 0.000 0.830 409 D CB 0.270 41.116 40.800 0.077 0.000 1.356 409 D HN 0.241 nan 8.370 nan 0.000 0.437 410 N N -0.726 118.080 118.700 0.177 0.000 2.288 410 N HA 0.014 4.753 4.740 -0.002 0.000 0.237 410 N C 0.320 176.000 175.510 0.283 0.000 1.311 410 N CA -0.300 52.901 53.050 0.251 0.000 0.909 410 N CB 0.119 38.703 38.487 0.160 0.000 1.167 410 N HN 0.577 nan 8.380 nan 0.000 0.476 411 Y N -0.873 119.482 120.300 0.090 0.000 2.516 411 Y HA 0.071 4.620 4.550 -0.002 0.000 0.291 411 Y C 1.987 177.803 175.900 -0.141 0.000 1.131 411 Y CA 0.328 58.280 58.100 -0.247 0.000 1.281 411 Y CB 0.011 38.231 38.460 -0.400 0.000 1.013 411 Y HN 0.516 nan 8.280 nan 0.000 0.554 412 L N -0.265 120.992 121.223 0.057 0.000 2.131 412 L HA -0.177 4.162 4.340 -0.002 0.000 0.210 412 L C 2.077 178.930 176.870 -0.028 0.000 1.092 412 L CA 2.299 57.157 54.840 0.030 0.000 0.759 412 L CB -0.917 41.181 42.059 0.064 0.000 0.903 412 L HN 0.173 nan 8.230 nan 0.000 0.435 413 T N -0.745 113.790 114.554 -0.033 0.000 2.857 413 T HA -0.133 4.216 4.350 -0.002 0.000 0.266 413 T C 1.734 176.339 174.700 -0.158 0.000 1.048 413 T CA 1.351 63.446 62.100 -0.008 0.000 1.139 413 T CB -0.295 68.605 68.868 0.053 0.000 0.874 413 T HN 0.257 nan 8.240 nan 0.000 0.455 414 L N 0.977 122.004 121.223 -0.327 0.000 2.044 414 L HA 0.190 4.529 4.340 -0.002 0.000 0.205 414 L C 2.137 178.757 176.870 -0.417 0.000 1.075 414 L CA 1.347 55.903 54.840 -0.474 0.000 0.747 414 L CB -1.016 40.564 42.059 -0.798 0.000 0.903 414 L HN 0.119 nan 8.230 nan 0.000 0.435 415 L N -0.033 120.927 121.223 -0.438 0.000 2.012 415 L HA -0.261 4.078 4.340 -0.002 0.000 0.210 415 L C 2.186 178.993 176.870 -0.105 0.000 1.073 415 L CA 2.323 57.035 54.840 -0.212 0.000 0.748 415 L CB -0.836 41.190 42.059 -0.056 0.000 0.891 415 L HN 0.500 nan 8.230 nan 0.000 0.431 416 D N -1.209 119.151 120.400 -0.068 0.000 2.144 416 D HA -0.167 4.472 4.640 -0.002 0.000 0.199 416 D C 2.106 178.406 176.300 -0.000 0.000 0.984 416 D CA 1.231 55.245 54.000 0.022 0.000 0.834 416 D CB 0.022 40.887 40.800 0.108 0.000 0.955 416 D HN 0.434 nan 8.370 nan 0.000 0.465 417 A N -0.170 122.507 122.820 -0.238 0.000 1.930 417 A HA -0.165 4.154 4.320 -0.002 0.000 0.217 417 A C 2.146 179.667 177.584 -0.105 0.000 1.175 417 A CA 1.253 52.991 52.037 -0.498 0.000 0.627 417 A CB -0.535 17.904 19.000 -0.935 0.000 0.815 417 A HN 0.297 nan 8.150 nan 0.000 0.443 418 Q N -0.722 119.058 119.800 -0.033 0.000 2.079 418 Q HA -0.117 4.221 4.340 -0.002 0.000 0.200 418 Q C 2.357 178.434 176.000 0.129 0.000 0.974 418 Q CA 1.398 57.222 55.803 0.035 0.000 0.840 418 Q CB -0.105 28.607 28.738 -0.043 0.000 0.898 418 Q HN 0.621 nan 8.270 nan 0.000 0.430 419 R N -0.311 120.249 120.500 0.099 0.000 2.073 419 R HA -0.002 4.337 4.340 -0.002 0.000 0.229 419 R C 2.455 178.845 176.300 0.150 0.000 1.120 419 R CA 1.278 57.473 56.100 0.159 0.000 0.967 419 R CB -0.048 30.312 30.300 0.100 0.000 0.862 419 R HN 0.083 nan 8.270 nan 0.000 0.436 420 S N 1.493 117.269 115.700 0.127 0.000 2.368 420 S HA -0.129 4.340 4.470 -0.002 0.000 0.225 420 S C 1.818 176.495 174.600 0.128 0.000 1.030 420 S CA 0.938 59.220 58.200 0.137 0.000 0.999 420 S CB -0.223 63.105 63.200 0.212 0.000 0.844 420 S HN 0.142 nan 8.310 nan 0.000 0.459 421 L N 0.888 122.184 121.223 0.122 0.000 2.027 421 L HA 0.051 4.390 4.340 -0.002 0.000 0.206 421 L C 1.956 178.916 176.870 0.150 0.000 1.074 421 L CA 1.685 56.584 54.840 0.098 0.000 0.745 421 L CB -0.905 41.160 42.059 0.009 0.000 0.898 421 L HN 0.256 nan 8.230 nan 0.000 0.433 422 F N 0.228 120.178 119.950 -0.000 0.000 2.146 422 F HA -0.160 4.366 4.527 -0.002 0.000 0.298 422 F C 2.353 178.168 175.800 0.026 0.000 1.096 422 F CA 1.924 59.926 58.000 0.003 0.000 1.275 422 F CB -1.046 37.982 39.000 0.047 0.000 1.008 422 F HN 0.115 nan 8.300 nan 0.000 0.480 423 T N 0.636 115.169 114.554 -0.035 0.000 2.720 423 T HA -0.172 4.177 4.350 -0.002 0.000 0.268 423 T C 2.236 176.891 174.700 -0.075 0.000 1.037 423 T CA 1.579 63.601 62.100 -0.129 0.000 1.144 423 T CB -0.842 68.004 68.868 -0.038 0.000 0.864 423 T HN 0.319 nan 8.240 nan 0.000 0.444 424 A N 1.068 123.888 122.820 -0.000 0.000 1.930 424 A HA -0.102 4.217 4.320 -0.002 0.000 0.217 424 A C 2.284 179.871 177.584 0.005 0.000 1.175 424 A CA 1.285 53.330 52.037 0.013 0.000 0.627 424 A CB -0.527 18.500 19.000 0.045 0.000 0.815 424 A HN 0.525 nan 8.150 nan 0.000 0.443 425 Q N -0.717 119.092 119.800 0.016 0.000 2.083 425 Q HA -0.180 4.159 4.340 -0.002 0.000 0.198 425 Q C 2.315 178.300 176.000 -0.025 0.000 0.969 425 Q CA 1.506 57.320 55.803 0.018 0.000 0.838 425 Q CB -0.164 28.617 28.738 0.073 0.000 0.900 425 Q HN 0.761 nan 8.270 nan 0.000 0.436 426 Q N 0.271 120.019 119.800 -0.087 0.000 2.061 426 Q HA -0.265 4.074 4.340 -0.002 0.000 0.204 426 Q C 2.122 178.079 176.000 -0.072 0.000 0.984 426 Q CA 1.555 57.284 55.803 -0.123 0.000 0.846 426 Q CB -0.114 28.485 28.738 -0.232 0.000 0.902 426 Q HN 0.204 nan 8.270 nan 0.000 0.421 427 Q N 0.854 120.620 119.800 -0.056 0.000 2.170 427 Q HA -0.167 4.172 4.340 -0.002 0.000 0.203 427 Q C 1.799 177.796 176.000 -0.006 0.000 0.976 427 Q CA 1.069 56.859 55.803 -0.022 0.000 0.858 427 Q CB -0.267 28.463 28.738 -0.013 0.000 0.907 427 Q HN 0.345 nan 8.270 nan 0.000 0.433 428 L N -0.279 120.938 121.223 -0.009 0.000 2.046 428 L HA -0.051 4.288 4.340 -0.002 0.000 0.208 428 L C 1.985 178.843 176.870 -0.020 0.000 1.077 428 L CA 1.602 56.441 54.840 -0.002 0.000 0.747 428 L CB -0.434 41.624 42.059 -0.001 0.000 0.896 428 L HN 0.369 nan 8.230 nan 0.000 0.432 429 I N -1.096 119.450 120.570 -0.040 0.000 2.179 429 I HA -0.304 3.865 4.170 -0.002 0.000 0.242 429 I C 2.200 178.282 176.117 -0.059 0.000 1.088 429 I CA 1.731 62.993 61.300 -0.063 0.000 1.357 429 I CB -0.690 37.254 38.000 -0.094 0.000 1.051 429 I HN 0.255 nan 8.210 nan 0.000 0.409 430 T N -0.084 114.446 114.554 -0.040 0.000 2.746 430 T HA -0.170 4.179 4.350 -0.002 0.000 0.267 430 T C 1.530 176.224 174.700 -0.012 0.000 1.039 430 T CA 1.464 63.551 62.100 -0.021 0.000 1.142 430 T CB -0.271 68.597 68.868 0.001 0.000 0.866 430 T HN 0.284 nan 8.240 nan 0.000 0.444 431 D N 0.624 121.032 120.400 0.015 0.000 2.117 431 D HA -0.062 4.577 4.640 -0.002 0.000 0.197 431 D C 2.342 178.587 176.300 -0.093 0.000 0.987 431 D CA 0.898 54.934 54.000 0.060 0.000 0.829 431 D CB -0.250 40.627 40.800 0.129 0.000 0.961 431 D HN 0.134 nan 8.370 nan 0.000 0.460 432 R N 0.703 121.150 120.500 -0.089 0.000 2.091 432 R HA -0.104 4.235 4.340 -0.002 0.000 0.238 432 R C 2.131 178.323 176.300 -0.181 0.000 1.136 432 R CA 0.863 56.880 56.100 -0.137 0.000 0.959 432 R CB -0.895 29.355 30.300 -0.084 0.000 0.856 432 R HN 0.200 nan 8.270 nan 0.000 0.437 433 L N 0.674 121.815 121.223 -0.136 0.000 2.056 433 L HA -0.078 4.261 4.340 -0.002 0.000 0.207 433 L C 1.358 178.135 176.870 -0.155 0.000 1.078 433 L CA 1.865 56.635 54.840 -0.118 0.000 0.749 433 L CB -0.706 41.307 42.059 -0.076 0.000 0.901 433 L HN 0.204 nan 8.230 nan 0.000 0.433 434 N N -0.394 118.194 118.700 -0.188 0.000 2.166 434 N HA -0.231 4.508 4.740 -0.002 0.000 0.186 434 N C 1.756 176.913 175.510 -0.588 0.000 1.019 434 N CA 1.434 54.350 53.050 -0.223 0.000 0.856 434 N CB -0.358 38.118 38.487 -0.018 0.000 0.993 434 N HN 0.590 nan 8.380 nan 0.000 0.426 435 Q N 0.693 119.878 119.800 -1.025 0.000 2.046 435 Q HA -0.058 4.281 4.340 -0.002 0.000 0.200 435 Q C 2.100 177.840 176.000 -0.433 0.000 0.975 435 Q CA 0.936 56.033 55.803 -1.176 0.000 0.836 435 Q CB -0.084 28.101 28.738 -0.922 0.000 0.896 435 Q HN 0.332 nan 8.270 nan 0.000 0.428 436 L N 0.536 121.598 121.223 -0.268 0.000 2.017 436 L HA -0.170 4.169 4.340 -0.002 0.000 0.208 436 L C 2.759 179.616 176.870 -0.022 0.000 1.073 436 L CA 1.828 56.604 54.840 -0.106 0.000 0.745 436 L CB -0.689 41.328 42.059 -0.070 0.000 0.894 436 L HN 0.420 nan 8.230 nan 0.000 0.432 437 T N -4.720 109.812 114.554 -0.037 0.000 2.915 437 T HA -0.108 4.241 4.350 -0.002 0.000 0.269 437 T C 1.964 176.694 174.700 0.050 0.000 1.071 437 T CA 1.265 63.385 62.100 0.033 0.000 1.132 437 T CB -0.278 68.601 68.868 0.019 0.000 0.878 437 T HN 0.141 nan 8.240 nan 0.000 0.479 438 S N 1.324 117.027 115.700 0.005 0.000 2.402 438 S HA -0.043 4.426 4.470 -0.002 0.000 0.229 438 S C 2.032 176.679 174.600 0.077 0.000 1.021 438 S CA 1.232 59.462 58.200 0.050 0.000 0.974 438 S CB -0.311 62.934 63.200 0.076 0.000 0.800 438 S HN 0.574 nan 8.310 nan 0.000 0.484 439 E N 1.011 121.260 120.200 0.083 0.000 2.112 439 E HA -0.016 4.333 4.350 -0.002 0.000 0.190 439 E C 1.919 178.685 176.600 0.278 0.000 0.979 439 E CA 0.597 57.090 56.400 0.156 0.000 0.814 439 E CB -0.244 29.532 29.700 0.126 0.000 0.762 439 E HN 0.210 nan 8.360 nan 0.000 0.460 440 V N 1.654 121.745 119.914 0.295 0.000 2.295 440 V HA -0.270 3.849 4.120 -0.002 0.000 0.246 440 V C 1.808 178.059 176.094 0.262 0.000 1.049 440 V CA 1.982 64.521 62.300 0.398 0.000 1.024 440 V CB -0.577 31.478 31.823 0.387 0.000 0.648 440 V HN 0.338 nan 8.190 nan 0.000 0.447 441 N N -0.115 118.683 118.700 0.164 0.000 2.309 441 N HA -0.096 4.643 4.740 -0.002 0.000 0.182 441 N C 1.656 177.198 175.510 0.052 0.000 1.018 441 N CA 0.969 54.077 53.050 0.096 0.000 0.876 441 N CB -0.350 38.180 38.487 0.072 0.000 0.972 441 N HN 0.368 nan 8.380 nan 0.000 0.434 442 L N 0.464 121.723 121.223 0.060 0.000 2.046 442 L HA -0.140 4.199 4.340 -0.002 0.000 0.208 442 L C 2.195 179.056 176.870 -0.015 0.000 1.077 442 L CA 1.491 56.338 54.840 0.012 0.000 0.747 442 L CB -1.046 41.028 42.059 0.025 0.000 0.896 442 L HN 0.100 nan 8.230 nan 0.000 0.432 443 Y N 0.841 121.023 120.300 -0.196 0.000 2.128 443 Y HA -0.322 4.227 4.550 -0.002 0.000 0.284 443 Y C 2.704 178.470 175.900 -0.223 0.000 1.154 443 Y CA 2.556 60.424 58.100 -0.387 0.000 1.149 443 Y CB -0.381 37.508 38.460 -0.952 0.000 0.976 443 Y HN 0.324 nan 8.280 nan 0.000 0.505 444 K N 0.041 120.317 120.400 -0.207 0.000 2.097 444 K HA -0.128 4.191 4.320 -0.002 0.000 0.205 444 K C 2.190 178.699 176.600 -0.151 0.000 1.050 444 K CA 1.135 57.297 56.287 -0.207 0.000 0.938 444 K CB -0.394 32.075 32.500 -0.051 0.000 0.718 444 K HN 0.364 nan 8.250 nan 0.000 0.442 445 A N 1.259 124.021 122.820 -0.097 0.000 1.972 445 A HA -0.086 4.233 4.320 -0.002 0.000 0.219 445 A C 1.944 179.481 177.584 -0.079 0.000 1.169 445 A CA 1.167 53.162 52.037 -0.070 0.000 0.635 445 A CB -0.418 18.549 19.000 -0.055 0.000 0.810 445 A HN 0.346 nan 8.150 nan 0.000 0.446 446 L N -1.262 119.894 121.223 -0.111 0.000 2.599 446 L HA 0.232 4.571 4.340 -0.002 0.000 0.230 446 L C 1.455 178.258 176.870 -0.112 0.000 1.141 446 L CA 0.521 55.308 54.840 -0.088 0.000 0.877 446 L CB -0.152 41.862 42.059 -0.076 0.000 1.009 446 L HN 0.553 nan 8.230 nan 0.000 0.447 447 G N -0.234 108.465 108.800 -0.167 0.000 2.165 447 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.226 447 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.226 447 G C 0.802 175.566 174.900 -0.226 0.000 1.035 447 G CA 0.060 45.064 45.100 -0.159 0.000 0.744 447 G HN 0.428 nan 8.290 nan 0.000 0.501 448 G N 0.229 108.720 108.800 -0.515 0.000 2.403 448 G HA2 0.265 4.224 3.960 -0.002 0.000 0.216 448 G HA3 0.265 4.224 3.960 -0.002 0.000 0.216 448 G C 1.657 176.247 174.900 -0.516 0.000 1.154 448 G CA 1.138 45.768 45.100 -0.783 0.000 0.784 448 G HN 1.441 nan 8.290 nan 0.000 0.538 449 G N -0.428 108.122 108.800 -0.417 0.000 2.807 449 G HA2 -0.120 3.839 3.960 -0.002 0.000 0.207 449 G HA3 -0.120 3.839 3.960 -0.002 0.000 0.207 449 G C 1.227 176.326 174.900 0.331 0.000 1.151 449 G CA 0.248 45.405 45.100 0.094 0.000 0.800 449 G HN 0.493 nan 8.290 nan 0.000 0.523 450 W N 0.820 122.178 121.300 0.096 0.000 2.481 450 W HA 0.096 4.755 4.660 -0.002 0.000 0.293 450 W C -0.247 176.401 176.519 0.215 0.000 1.201 450 W CA 0.021 57.440 57.345 0.123 0.000 1.328 450 W CB 0.183 29.667 29.460 0.041 0.000 1.112 450 W HN 0.029 nan 8.180 nan 0.000 0.546 451 N N 1.840 120.575 118.700 0.059 0.000 2.499 451 N HA -0.014 4.725 4.740 -0.002 0.000 0.281 451 N C 0.725 176.191 175.510 -0.074 0.000 1.098 451 N CA 0.065 53.047 53.050 -0.113 0.000 0.979 451 N CB 1.607 40.081 38.487 -0.022 0.000 1.121 451 N HN 0.226 nan 8.380 nan 0.000 0.466 452 Q N 0.936 120.575 119.800 -0.268 0.000 2.062 452 Q HA -0.029 4.309 4.340 -0.002 0.000 0.196 452 Q C -0.257 175.385 176.000 -0.597 0.000 0.967 452 Q CA 1.047 56.417 55.803 -0.721 0.000 0.832 452 Q CB 0.431 28.875 28.738 -0.490 0.000 0.899 452 Q HN 0.532 nan 8.270 nan 0.000 0.442 453 Q N 0.341 119.952 119.800 -0.316 0.000 2.348 453 Q HA 0.226 4.565 4.340 -0.002 0.000 0.271 453 Q C -0.912 175.020 176.000 -0.114 0.000 1.067 453 Q CA -0.298 55.378 55.803 -0.210 0.000 0.839 453 Q CB 1.745 30.383 28.738 -0.167 0.000 1.354 453 Q HN 0.060 nan 8.270 nan 0.000 0.447 454 T N 0.820 115.331 114.554 -0.072 0.000 2.888 454 T HA 0.256 4.605 4.350 -0.002 0.000 0.301 454 T C 0.380 175.071 174.700 -0.014 0.000 1.001 454 T CA -0.420 61.667 62.100 -0.022 0.000 1.147 454 T CB -0.059 68.805 68.868 -0.006 0.000 0.931 454 T HN 0.410 nan 8.240 nan 0.000 0.541 455 V N 0.000 119.919 119.914 0.009 0.000 2.409 455 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 455 V CA 0.000 62.309 62.300 0.015 0.000 1.235 455 V CB 0.000 31.845 31.823 0.037 0.000 1.184 455 V HN 0.000 nan 8.190 nan 0.000 0.556