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 3bmn_1_B DATA FIRST_RESID 2 DATA SEQUENCE EAPAAVVTGA AKRIGRAIAV KLHQTGYRVV IHYHNSAEAA VSLADELNKE DATA SEQUENCE RSNTAVVCQA DLTNSNVLPA SCEEIINSCF RAFGRCDVLV NNASAFYPTP DATA SEQUENCE LVQXXXXXXX NGKTVETQVA ELIGTNAIAP FLLTMSFAQR QKXXXXXXXX DATA SEQUENCE SNLSIVNLCD AMVDQPCMAF SLYNMGKHAL VGLTQSAALE LAPYGIRVNG DATA SEQUENCE VAPGVSLLPV AMGEEEKDKW RRKVPLGRRE ASAEQIADAV IFLVSGSAQY DATA SEQUENCE ITGSIIKVDG GLSLVHA 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 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.542 176.600 -0.096 0.000 1.382 2 E CA 0.000 56.367 56.400 -0.055 0.000 0.976 2 E CB 0.000 29.682 29.700 -0.030 0.000 0.812 3 A N 1.712 124.458 122.820 -0.124 0.000 2.425 3 A HA 0.524 3.984 4.320 -1.432 0.000 0.249 3 A C -1.968 175.481 177.584 -0.225 0.000 1.084 3 A CA -0.850 51.066 52.037 -0.201 0.000 0.781 3 A CB -0.350 18.519 19.000 -0.218 0.000 1.019 3 A HN 0.496 nan 8.150 nan 0.000 0.490 4 P HA 0.422 nan 4.420 nan 0.000 0.274 4 P C -0.621 176.585 177.300 -0.157 0.000 1.256 4 P CA -0.067 62.867 63.100 -0.277 0.000 0.795 4 P CB 1.119 32.533 31.700 -0.477 0.000 1.038 5 A N 0.376 123.216 122.820 0.035 0.000 2.386 5 A HA 0.734 4.195 4.320 -1.432 0.000 0.311 5 A C -0.855 176.846 177.584 0.196 0.000 1.068 5 A CA -0.662 51.418 52.037 0.070 0.000 0.743 5 A CB 1.397 20.395 19.000 -0.002 0.000 1.258 5 A HN 0.603 nan 8.150 nan 0.000 0.429 6 A N 1.232 124.134 122.820 0.136 0.000 2.374 6 A HA 0.718 4.178 4.320 -1.432 0.000 0.317 6 A C -0.919 176.715 177.584 0.082 0.000 1.094 6 A CA -0.494 51.568 52.037 0.042 0.000 0.765 6 A CB 1.395 20.284 19.000 -0.186 0.000 1.268 6 A HN 1.148 nan 8.150 nan 0.000 0.438 7 V N 2.313 122.276 119.914 0.083 0.000 2.370 7 V HA 0.432 3.692 4.120 -1.432 0.000 0.279 7 V C -0.411 175.708 176.094 0.042 0.000 1.029 7 V CA -0.313 62.044 62.300 0.094 0.000 0.870 7 V CB 1.342 33.232 31.823 0.110 0.000 0.984 7 V HN 0.625 nan 8.190 nan 0.000 0.451 8 V N 4.502 124.454 119.914 0.064 0.000 2.409 8 V HA 0.464 3.725 4.120 -1.432 0.000 0.291 8 V C 0.396 176.556 176.094 0.109 0.000 1.020 8 V CA -0.572 61.758 62.300 0.050 0.000 0.848 8 V CB 2.038 33.882 31.823 0.036 0.000 0.990 8 V HN 0.985 nan 8.190 nan 0.000 0.430 9 T N 0.729 115.329 114.554 0.076 0.000 2.913 9 T HA 0.561 4.051 4.350 -1.432 0.000 0.287 9 T C 0.895 175.732 174.700 0.228 0.000 1.008 9 T CA 0.191 62.367 62.100 0.127 0.000 1.067 9 T CB 1.399 70.207 68.868 -0.099 0.000 0.996 9 T HN 1.844 nan 8.240 nan 0.000 0.513 10 G N 0.936 110.015 108.800 0.466 0.000 2.369 10 G HA2 0.049 3.150 3.960 -1.432 0.000 0.286 10 G HA3 0.049 3.150 3.960 -1.432 0.000 0.286 10 G C 0.573 175.576 174.900 0.172 0.000 0.938 10 G CA -0.054 45.217 45.100 0.285 0.000 1.271 10 G HN 1.555 nan 8.290 nan 0.000 0.488 11 A N -0.268 122.650 122.820 0.164 0.000 2.465 11 A HA 0.756 4.216 4.320 -1.432 0.000 0.255 11 A C 2.110 179.732 177.584 0.063 0.000 1.274 11 A CA 1.127 53.224 52.037 0.101 0.000 0.920 11 A CB 0.130 19.192 19.000 0.103 0.000 1.033 11 A HN 1.729 nan 8.150 nan 0.000 0.516 12 A N 0.140 122.997 122.820 0.062 0.000 1.970 12 A HA 0.207 3.668 4.320 -1.432 0.000 0.216 12 A C 1.137 178.720 177.584 -0.002 0.000 1.170 12 A CA 0.906 52.947 52.037 0.006 0.000 0.645 12 A CB 0.117 19.109 19.000 -0.013 0.000 0.816 12 A HN 0.414 nan 8.150 nan 0.000 0.447 13 K N -2.123 118.288 120.400 0.019 0.000 2.399 13 K HA 0.490 3.950 4.320 -1.432 0.000 0.260 13 K C -0.052 176.555 176.600 0.012 0.000 1.049 13 K CA -0.853 55.440 56.287 0.009 0.000 0.890 13 K CB 1.605 34.113 32.500 0.013 0.000 1.430 13 K HN 0.271 nan 8.250 nan 0.000 0.459 14 R N -0.208 120.294 120.500 0.003 0.000 3.707 14 R HA -0.329 3.152 4.340 -1.432 0.000 0.504 14 R C 1.587 177.884 176.300 -0.004 0.000 0.241 14 R CA 1.886 57.984 56.100 -0.004 0.000 1.576 14 R CB -1.793 28.503 30.300 -0.007 0.000 0.924 14 R HN 0.610 nan 8.270 nan 0.000 0.597 15 I N 1.198 121.763 120.570 -0.008 0.000 2.353 15 I HA -0.092 3.219 4.170 -1.432 0.000 0.248 15 I C 2.697 178.814 176.117 -0.001 0.000 1.119 15 I CA 1.579 62.872 61.300 -0.011 0.000 1.417 15 I CB -0.691 37.295 38.000 -0.024 0.000 1.078 15 I HN 0.746 nan 8.210 nan 0.000 0.421 16 G N 0.804 109.612 108.800 0.013 0.000 2.422 16 G HA2 -0.271 2.829 3.960 -1.432 0.000 0.218 16 G HA3 -0.271 2.829 3.960 -1.432 0.000 0.218 16 G C 1.801 176.714 174.900 0.021 0.000 1.146 16 G CA 0.558 45.672 45.100 0.025 0.000 0.769 16 G HN 0.268 nan 8.290 nan 0.000 0.547 17 R N 0.468 120.979 120.500 0.017 0.000 2.066 17 R HA 0.042 3.523 4.340 -1.432 0.000 0.232 17 R C 2.889 179.191 176.300 0.003 0.000 1.131 17 R CA 1.406 57.510 56.100 0.008 0.000 0.955 17 R CB -0.387 29.913 30.300 0.001 0.000 0.851 17 R HN 0.276 nan 8.270 nan 0.000 0.432 18 A N 1.156 123.976 122.820 0.001 0.000 1.908 18 A HA -0.157 3.304 4.320 -1.432 0.000 0.218 18 A C 2.144 179.729 177.584 0.001 0.000 1.181 18 A CA 1.480 53.517 52.037 0.000 0.000 0.627 18 A CB -0.523 18.475 19.000 -0.003 0.000 0.818 18 A HN 0.362 nan 8.150 nan 0.000 0.445 19 I N -0.254 120.313 120.570 -0.004 0.000 2.127 19 I HA -0.313 2.998 4.170 -1.432 0.000 0.241 19 I C 3.001 179.109 176.117 -0.015 0.000 1.075 19 I CA 1.270 62.560 61.300 -0.015 0.000 1.334 19 I CB -0.399 37.587 38.000 -0.024 0.000 1.040 19 I HN 0.358 nan 8.210 nan 0.000 0.405 20 A N 0.290 123.110 122.820 -0.001 0.000 1.902 20 A HA -0.141 3.319 4.320 -1.432 0.000 0.217 20 A C 2.428 180.036 177.584 0.040 0.000 1.181 20 A CA 1.729 53.774 52.037 0.013 0.000 0.623 20 A CB -0.997 18.017 19.000 0.023 0.000 0.818 20 A HN 0.244 nan 8.150 nan 0.000 0.443 21 V N 0.324 120.255 119.914 0.027 0.000 2.407 21 V HA -0.251 3.009 4.120 -1.432 0.000 0.248 21 V C 2.479 178.622 176.094 0.081 0.000 1.055 21 V CA 2.226 64.554 62.300 0.047 0.000 1.049 21 V CB -0.585 31.250 31.823 0.019 0.000 0.662 21 V HN 0.487 nan 8.190 nan 0.000 0.455 22 K N -0.436 119.993 120.400 0.049 0.000 2.103 22 K HA -0.016 3.445 4.320 -1.432 0.000 0.204 22 K C 2.121 178.758 176.600 0.062 0.000 1.052 22 K CA 1.035 57.351 56.287 0.048 0.000 0.945 22 K CB -0.231 32.285 32.500 0.027 0.000 0.722 22 K HN 0.380 nan 8.250 nan 0.000 0.443 23 L N 0.149 121.394 121.223 0.037 0.000 2.046 23 L HA -0.206 3.275 4.340 -1.432 0.000 0.208 23 L C 2.716 179.686 176.870 0.168 0.000 1.077 23 L CA 1.186 56.041 54.840 0.025 0.000 0.747 23 L CB -0.533 41.426 42.059 -0.166 0.000 0.896 23 L HN 0.352 nan 8.230 nan 0.000 0.432 24 H N 0.364 119.466 119.070 0.052 0.000 2.293 24 H HA -0.184 3.513 4.556 -1.433 0.000 0.300 24 H C 2.178 177.532 175.328 0.043 0.000 1.082 24 H CA 1.886 57.962 56.048 0.048 0.000 1.308 24 H CB 0.156 29.929 29.762 0.018 0.000 1.375 24 H HN 0.406 nan 8.280 nan 0.000 0.495 25 Q N -0.494 119.386 119.800 0.133 0.000 2.268 25 Q HA -0.120 3.361 4.340 -1.432 0.000 0.210 25 Q C 1.822 177.833 176.000 0.018 0.000 0.988 25 Q CA 1.989 57.829 55.803 0.062 0.000 0.883 25 Q CB 0.049 28.829 28.738 0.070 0.000 0.911 25 Q HN 0.422 nan 8.270 nan 0.000 0.430 26 T N -1.611 112.973 114.554 0.050 0.000 3.100 26 T HA 0.162 3.653 4.350 -1.432 0.000 0.253 26 T C 1.029 175.722 174.700 -0.012 0.000 1.118 26 T CA 0.723 62.855 62.100 0.055 0.000 1.058 26 T CB 0.485 69.444 68.868 0.152 0.000 0.953 26 T HN 0.573 nan 8.240 nan 0.000 0.515 27 G N 0.410 109.164 108.800 -0.076 0.000 2.168 27 G HA2 -0.196 2.905 3.960 -1.432 0.000 0.197 27 G HA3 -0.196 2.905 3.960 -1.432 0.000 0.197 27 G C -0.151 174.598 174.900 -0.252 0.000 0.997 27 G CA -0.755 44.229 45.100 -0.194 0.000 0.658 27 G HN 0.486 nan 8.290 nan 0.000 0.513 28 Y N 0.614 120.798 120.300 -0.194 0.000 2.304 28 Y HA 0.643 4.330 4.550 -1.437 0.000 0.327 28 Y C 1.258 177.000 175.900 -0.262 0.000 1.209 28 Y CA -0.318 57.668 58.100 -0.190 0.000 1.299 28 Y CB 0.630 39.024 38.460 -0.111 0.000 1.249 28 Y HN 0.112 nan 8.280 nan 0.000 0.519 29 R N 1.459 121.822 120.500 -0.228 0.000 2.390 29 R HA 0.457 3.938 4.340 -1.432 0.000 0.291 29 R C -0.986 175.106 176.300 -0.345 0.000 1.070 29 R CA -0.506 55.283 56.100 -0.517 0.000 1.014 29 R CB 0.533 29.964 30.300 -1.447 0.000 1.007 29 R HN 0.507 nan 8.270 nan 0.000 0.466 30 V N 0.141 120.000 119.914 -0.092 0.000 2.715 30 V HA 0.641 3.902 4.120 -1.432 0.000 0.310 30 V C -0.376 175.912 176.094 0.324 0.000 1.054 30 V CA -0.985 61.381 62.300 0.110 0.000 0.928 30 V CB 2.193 34.084 31.823 0.113 0.000 1.007 30 V HN 0.368 nan 8.190 nan 0.000 0.437 31 V N 5.401 125.504 119.914 0.316 0.000 2.383 31 V HA 0.435 3.696 4.120 -1.432 0.000 0.275 31 V C 0.121 176.335 176.094 0.200 0.000 1.036 31 V CA -0.191 62.276 62.300 0.278 0.000 0.889 31 V CB 1.102 33.067 31.823 0.236 0.000 0.985 31 V HN 0.793 nan 8.190 nan 0.000 0.459 32 I N 5.754 126.436 120.570 0.187 0.000 2.282 32 I HA 0.233 3.544 4.170 -1.432 0.000 0.290 32 I C 0.572 176.831 176.117 0.238 0.000 1.090 32 I CA -0.100 61.303 61.300 0.171 0.000 1.231 32 I CB 0.112 38.180 38.000 0.114 0.000 1.434 32 I HN 0.671 nan 8.210 nan 0.000 0.487 33 H N 7.869 127.032 119.070 0.155 0.000 2.629 33 H HA 0.284 3.981 4.556 -1.433 0.000 0.357 33 H C -1.373 174.096 175.328 0.235 0.000 1.121 33 H CA 0.057 56.191 56.048 0.144 0.000 1.406 33 H CB 1.094 30.896 29.762 0.067 0.000 1.456 33 H HN 0.560 nan 8.280 nan 0.000 0.579 34 Y N 1.649 121.411 120.300 -0.897 0.000 2.705 34 Y HA 0.267 3.957 4.550 -1.433 0.000 0.332 34 Y C 0.008 175.603 175.900 -0.508 0.000 1.221 34 Y CA -0.891 56.892 58.100 -0.529 0.000 1.059 34 Y CB 1.030 39.375 38.460 -0.192 0.000 1.298 34 Y HN 0.703 nan 8.280 nan 0.000 0.459 35 H N -0.201 118.761 119.070 -0.180 0.000 2.269 35 H HA 0.290 3.986 4.556 -1.432 0.000 0.216 35 H C 0.027 175.373 175.328 0.029 0.000 0.985 35 H CA 0.371 56.331 56.048 -0.147 0.000 1.274 35 H CB 0.655 30.427 29.762 0.018 0.000 1.283 35 H HN 0.707 nan 8.280 nan 0.000 0.491 36 N N 0.531 119.176 118.700 -0.091 0.000 2.356 36 N HA 0.029 3.910 4.740 -1.432 0.000 0.178 36 N C 0.125 175.674 175.510 0.065 0.000 1.075 36 N CA 0.253 53.238 53.050 -0.108 0.000 0.889 36 N CB 0.689 39.086 38.487 -0.150 0.000 0.999 36 N HN 0.046 nan 8.380 nan 0.000 0.464 37 S N 1.191 116.978 115.700 0.145 0.000 3.513 37 S HA 0.316 3.927 4.470 -1.432 0.000 0.209 37 S C 1.388 175.870 174.600 -0.196 0.000 1.446 37 S CA -0.370 57.839 58.200 0.016 0.000 1.150 37 S CB 0.268 63.482 63.200 0.023 0.000 1.266 37 S HN 0.307 nan 8.310 nan 0.000 0.502 38 A N 1.623 124.321 122.820 -0.204 0.000 1.902 38 A HA -0.149 3.312 4.320 -1.432 0.000 0.217 38 A C 2.038 179.394 177.584 -0.379 0.000 1.181 38 A CA 1.482 53.219 52.037 -0.499 0.000 0.623 38 A CB -0.386 18.565 19.000 -0.082 0.000 0.818 38 A HN 0.590 nan 8.150 nan 0.000 0.443 39 E N -0.324 119.757 120.200 -0.198 0.000 2.051 39 E HA -0.110 3.381 4.350 -1.432 0.000 0.192 39 E C 2.120 178.627 176.600 -0.156 0.000 0.991 39 E CA 1.263 57.577 56.400 -0.144 0.000 0.799 39 E CB -0.260 29.388 29.700 -0.087 0.000 0.748 39 E HN 0.553 nan 8.360 nan 0.000 0.449 40 A N 0.715 123.442 122.820 -0.156 0.000 1.929 40 A HA 0.003 3.463 4.320 -1.432 0.000 0.216 40 A C 2.335 179.818 177.584 -0.167 0.000 1.176 40 A CA 1.496 53.457 52.037 -0.126 0.000 0.628 40 A CB -0.717 18.231 19.000 -0.087 0.000 0.816 40 A HN 0.385 nan 8.150 nan 0.000 0.444 41 A N 0.133 122.777 122.820 -0.293 0.000 1.865 41 A HA -0.071 3.390 4.320 -1.432 0.000 0.217 41 A C 2.398 179.838 177.584 -0.240 0.000 1.191 41 A CA 2.582 54.418 52.037 -0.335 0.000 0.623 41 A CB -1.382 17.129 19.000 -0.815 0.000 0.826 41 A HN 1.213 nan 8.150 nan 0.000 0.444 42 V N -2.104 117.649 119.914 -0.268 0.000 2.427 42 V HA -0.154 3.107 4.120 -1.432 0.000 0.248 42 V C 2.131 178.165 176.094 -0.100 0.000 1.051 42 V CA 2.664 64.874 62.300 -0.151 0.000 1.048 42 V CB -1.129 30.615 31.823 -0.133 0.000 0.666 42 V HN 0.396 nan 8.190 nan 0.000 0.456 43 S N 0.662 116.300 115.700 -0.103 0.000 2.382 43 S HA -0.067 3.543 4.470 -1.432 0.000 0.228 43 S C 1.913 176.473 174.600 -0.067 0.000 1.027 43 S CA 1.974 60.130 58.200 -0.073 0.000 0.991 43 S CB -0.536 62.624 63.200 -0.067 0.000 0.823 43 S HN 0.629 nan 8.310 nan 0.000 0.469 44 L N 1.141 122.318 121.223 -0.078 0.000 2.027 44 L HA -0.077 3.404 4.340 -1.432 0.000 0.206 44 L C 2.537 179.360 176.870 -0.077 0.000 1.074 44 L CA 1.527 56.324 54.840 -0.072 0.000 0.745 44 L CB -0.744 41.275 42.059 -0.066 0.000 0.898 44 L HN 0.383 nan 8.230 nan 0.000 0.433 45 A N -0.788 121.993 122.820 -0.064 0.000 2.067 45 A HA -0.260 3.201 4.320 -1.432 0.000 0.219 45 A C 1.815 179.373 177.584 -0.043 0.000 1.158 45 A CA 1.780 53.790 52.037 -0.045 0.000 0.661 45 A CB -0.488 18.509 19.000 -0.005 0.000 0.801 45 A HN 0.555 nan 8.150 nan 0.000 0.452 46 D N -0.396 119.978 120.400 -0.043 0.000 2.120 46 D HA -0.158 3.623 4.640 -1.432 0.000 0.202 46 D C 1.911 178.190 176.300 -0.035 0.000 0.972 46 D CA 1.349 55.331 54.000 -0.029 0.000 0.837 46 D CB -0.220 40.563 40.800 -0.028 0.000 0.989 46 D HN 0.579 nan 8.370 nan 0.000 0.469 47 E N -0.138 120.033 120.200 -0.049 0.000 2.097 47 E HA -0.204 3.287 4.350 -1.432 0.000 0.196 47 E C 2.145 178.701 176.600 -0.074 0.000 1.000 47 E CA 1.131 57.500 56.400 -0.052 0.000 0.804 47 E CB -0.172 29.495 29.700 -0.055 0.000 0.740 47 E HN 0.356 nan 8.360 nan 0.000 0.454 48 L N 0.503 121.637 121.223 -0.148 0.000 2.179 48 L HA -0.078 3.402 4.340 -1.432 0.000 0.208 48 L C 2.287 179.090 176.870 -0.111 0.000 1.096 48 L CA 0.517 55.171 54.840 -0.309 0.000 0.779 48 L CB -0.480 41.185 42.059 -0.658 0.000 0.922 48 L HN 0.167 nan 8.230 nan 0.000 0.443 49 N N 0.613 119.292 118.700 -0.036 0.000 2.216 49 N HA -0.121 3.760 4.740 -1.432 0.000 0.183 49 N C 1.725 177.261 175.510 0.043 0.000 1.017 49 N CA 0.971 54.046 53.050 0.042 0.000 0.861 49 N CB -0.015 38.498 38.487 0.044 0.000 0.986 49 N HN 0.340 nan 8.380 nan 0.000 0.428 50 K N 0.839 121.251 120.400 0.019 0.000 2.103 50 K HA -0.153 3.308 4.320 -1.432 0.000 0.207 50 K C 1.751 178.374 176.600 0.038 0.000 1.048 50 K CA 1.026 57.327 56.287 0.023 0.000 0.930 50 K CB 0.003 32.508 32.500 0.009 0.000 0.716 50 K HN 0.090 nan 8.250 nan 0.000 0.444 51 E N 0.483 120.715 120.200 0.054 0.000 2.072 51 E HA -0.027 3.464 4.350 -1.432 0.000 0.191 51 E C -0.047 176.613 176.600 0.100 0.000 0.985 51 E CA 1.084 57.535 56.400 0.085 0.000 0.801 51 E CB 0.368 30.148 29.700 0.133 0.000 0.750 51 E HN 0.028 nan 8.360 nan 0.000 0.452 52 R N -0.236 120.348 120.500 0.141 0.000 2.531 52 R HA 0.321 3.801 4.340 -1.432 0.000 0.293 52 R C -1.195 175.174 176.300 0.114 0.000 1.124 52 R CA -0.335 55.831 56.100 0.109 0.000 0.945 52 R CB 2.010 32.361 30.300 0.086 0.000 1.195 52 R HN -0.073 nan 8.270 nan 0.000 0.433 53 S N 2.614 118.360 115.700 0.077 0.000 2.549 53 S HA 0.008 3.618 4.470 -1.432 0.000 0.286 53 S C 0.473 175.134 174.600 0.102 0.000 1.314 53 S CA 0.135 58.381 58.200 0.077 0.000 1.062 53 S CB 0.163 63.395 63.200 0.055 0.000 0.865 53 S HN 0.680 nan 8.310 nan 0.000 0.498 54 N N 1.073 119.847 118.700 0.124 0.000 2.738 54 N HA -0.143 3.738 4.740 -1.432 0.000 0.249 54 N C 0.632 176.313 175.510 0.285 0.000 1.047 54 N CA 1.249 54.407 53.050 0.181 0.000 0.707 54 N CB -1.570 37.004 38.487 0.146 0.000 0.937 54 N HN 0.860 nan 8.380 nan 0.000 0.545 55 T N -4.704 110.005 114.554 0.259 0.000 3.004 55 T HA 0.575 4.065 4.350 -1.432 0.000 0.266 55 T C 0.436 175.284 174.700 0.246 0.000 0.986 55 T CA 0.479 62.698 62.100 0.199 0.000 0.902 55 T CB 0.820 69.834 68.868 0.243 0.000 1.118 55 T HN 0.455 nan 8.240 nan 0.000 0.522 56 A N 1.453 124.456 122.820 0.305 0.000 2.393 56 A HA 0.844 4.305 4.320 -1.432 0.000 0.306 56 A C -0.627 177.126 177.584 0.282 0.000 1.050 56 A CA -0.742 51.455 52.037 0.266 0.000 0.724 56 A CB 1.912 20.944 19.000 0.053 0.000 1.248 56 A HN 1.022 nan 8.150 nan 0.000 0.424 57 V N 0.222 120.303 119.914 0.278 0.000 3.049 57 V HA 0.902 4.163 4.120 -1.432 0.000 0.309 57 V C -0.105 176.072 176.094 0.138 0.000 1.148 57 V CA -0.531 61.852 62.300 0.138 0.000 0.990 57 V CB 0.961 32.791 31.823 0.012 0.000 1.039 57 V HN 1.714 nan 8.190 nan 0.000 0.430 58 V N -0.011 119.974 119.914 0.118 0.000 2.966 58 V HA 0.916 4.176 4.120 -1.432 0.000 0.317 58 V C -0.106 176.098 176.094 0.183 0.000 1.070 58 V CA -0.410 62.000 62.300 0.183 0.000 1.008 58 V CB 1.397 33.337 31.823 0.195 0.000 1.070 58 V HN 1.704 nan 8.190 nan 0.000 0.457 59 C N 3.891 123.317 119.300 0.210 0.000 2.833 59 C HA 0.429 4.029 4.460 -1.432 0.000 0.383 59 C C -0.671 174.215 174.990 -0.173 0.000 1.058 59 C CA -0.330 58.733 59.018 0.076 0.000 1.259 59 C CB 0.890 28.698 27.740 0.114 0.000 1.726 59 C HN 1.146 nan 8.230 nan 0.000 0.484 60 Q N 3.373 122.943 119.800 -0.384 0.000 2.261 60 Q HA 0.744 4.224 4.340 -1.432 0.000 0.252 60 Q C -0.577 175.275 176.000 -0.247 0.000 0.915 60 Q CA 0.269 55.602 55.803 -0.783 0.000 0.915 60 Q CB 1.791 30.091 28.738 -0.729 0.000 1.204 60 Q HN 1.147 nan 8.270 nan 0.000 0.421 61 A N 3.755 126.503 122.820 -0.120 0.000 2.547 61 A HA 0.264 3.725 4.320 -1.432 0.000 0.298 61 A C -1.450 176.255 177.584 0.201 0.000 1.062 61 A CA -0.782 51.328 52.037 0.121 0.000 0.748 61 A CB 1.131 20.235 19.000 0.172 0.000 1.288 61 A HN 0.685 nan 8.150 nan 0.000 0.396 62 D N 1.776 122.233 120.400 0.095 0.000 2.348 62 D HA 0.375 4.156 4.640 -1.432 0.000 0.253 62 D C 0.577 176.820 176.300 -0.095 0.000 1.161 62 D CA 0.066 53.985 54.000 -0.135 0.000 0.876 62 D CB 0.853 41.632 40.800 -0.035 0.000 1.160 62 D HN 0.428 nan 8.370 nan 0.000 0.459 63 L N 2.604 123.733 121.223 -0.157 0.000 2.667 63 L HA 0.109 3.590 4.340 -1.432 0.000 0.232 63 L C 0.861 177.695 176.870 -0.061 0.000 1.138 63 L CA -0.122 54.664 54.840 -0.089 0.000 0.921 63 L CB 0.048 42.050 42.059 -0.095 0.000 1.180 63 L HN 0.269 nan 8.230 nan 0.000 0.487 64 T N 1.331 115.842 114.554 -0.071 0.000 2.946 64 T HA -0.115 3.376 4.350 -1.432 0.000 0.312 64 T C 0.515 175.213 174.700 -0.004 0.000 1.066 64 T CA 0.290 62.378 62.100 -0.020 0.000 1.138 64 T CB 0.297 69.160 68.868 -0.009 0.000 1.014 64 T HN 0.284 nan 8.240 nan 0.000 0.544 65 N N 1.327 120.032 118.700 0.009 0.000 2.530 65 N HA 0.264 4.145 4.740 -1.432 0.000 0.273 65 N C -0.367 175.151 175.510 0.014 0.000 1.173 65 N CA -0.130 52.928 53.050 0.013 0.000 0.967 65 N CB 0.552 39.046 38.487 0.012 0.000 1.109 65 N HN 0.812 nan 8.380 nan 0.000 0.453 66 S N 1.462 117.171 115.700 0.016 0.000 2.656 66 S HA 0.074 3.685 4.470 -1.432 0.000 0.265 66 S C 0.521 175.131 174.600 0.017 0.000 1.132 66 S CA -0.774 57.435 58.200 0.016 0.000 0.819 66 S CB 0.277 63.487 63.200 0.015 0.000 1.119 66 S HN 0.716 nan 8.310 nan 0.000 0.476 67 N N 0.849 119.559 118.700 0.016 0.000 2.364 67 N HA -0.120 3.761 4.740 -1.432 0.000 0.183 67 N C 1.628 177.147 175.510 0.016 0.000 1.022 67 N CA 1.855 54.914 53.050 0.016 0.000 0.883 67 N CB -1.006 37.489 38.487 0.013 0.000 0.965 67 N HN 1.236 nan 8.380 nan 0.000 0.438 68 V N -2.999 116.924 119.914 0.015 0.000 3.647 68 V HA 0.241 3.502 4.120 -1.432 0.000 0.279 68 V C 1.987 178.089 176.094 0.013 0.000 1.314 68 V CA -0.123 62.185 62.300 0.014 0.000 1.125 68 V CB -0.703 31.128 31.823 0.013 0.000 0.907 68 V HN 0.079 nan 8.190 nan 0.000 0.434 69 L N 1.461 122.693 121.223 0.016 0.000 2.046 69 L HA 0.110 3.590 4.340 -1.432 0.000 0.208 69 L C -0.034 176.843 176.870 0.013 0.000 1.077 69 L CA 2.403 57.251 54.840 0.013 0.000 0.747 69 L CB -1.430 40.640 42.059 0.018 0.000 0.896 69 L HN 0.269 nan 8.230 nan 0.000 0.432 70 P HA -0.198 nan 4.420 nan 0.000 0.215 70 P C 1.556 178.856 177.300 -0.000 0.000 1.157 70 P CA 2.182 65.290 63.100 0.013 0.000 0.874 70 P CB -0.202 31.512 31.700 0.023 0.000 0.790 71 A N -0.827 121.995 122.820 0.004 0.000 1.902 71 A HA -0.174 3.286 4.320 -1.432 0.000 0.217 71 A C 2.389 179.974 177.584 0.003 0.000 1.181 71 A CA 2.155 54.192 52.037 0.001 0.000 0.623 71 A CB -1.599 17.403 19.000 0.004 0.000 0.818 71 A HN 0.101 nan 8.150 nan 0.000 0.443 72 S N -0.757 114.946 115.700 0.005 0.000 2.365 72 S HA -0.240 3.371 4.470 -1.432 0.000 0.225 72 S C 1.944 176.545 174.600 0.001 0.000 1.039 72 S CA 1.657 59.862 58.200 0.007 0.000 1.033 72 S CB -0.721 62.483 63.200 0.007 0.000 0.887 72 S HN 0.737 nan 8.310 nan 0.000 0.447 73 C N 1.112 120.405 119.300 -0.012 0.000 2.440 73 C HA 0.010 3.611 4.460 -1.432 0.000 0.278 73 C C 2.614 177.603 174.990 -0.003 0.000 1.295 73 C CA 0.304 59.309 59.018 -0.022 0.000 1.738 73 C CB -1.209 26.510 27.740 -0.036 0.000 1.987 73 C HN 0.674 nan 8.230 nan 0.000 0.492 74 E N 1.089 121.286 120.200 -0.005 0.000 2.110 74 E HA -0.263 3.227 4.350 -1.432 0.000 0.193 74 E C 2.059 178.670 176.600 0.019 0.000 0.988 74 E CA 1.398 57.798 56.400 -0.000 0.000 0.804 74 E CB -0.047 29.644 29.700 -0.014 0.000 0.745 74 E HN 0.575 nan 8.360 nan 0.000 0.458 75 E N 0.850 121.062 120.200 0.020 0.000 2.072 75 E HA -0.132 3.358 4.350 -1.432 0.000 0.190 75 E C 1.921 178.553 176.600 0.052 0.000 0.982 75 E CA 1.108 57.527 56.400 0.031 0.000 0.803 75 E CB -0.320 29.393 29.700 0.023 0.000 0.755 75 E HN 0.364 nan 8.360 nan 0.000 0.453 76 I N 0.558 121.160 120.570 0.053 0.000 2.118 76 I HA -0.303 3.007 4.170 -1.432 0.000 0.241 76 I C 2.007 178.184 176.117 0.100 0.000 1.070 76 I CA 0.909 62.253 61.300 0.074 0.000 1.327 76 I CB -0.384 37.641 38.000 0.042 0.000 1.034 76 I HN 0.208 nan 8.210 nan 0.000 0.405 77 I N 0.635 121.272 120.570 0.112 0.000 2.226 77 I HA -0.284 3.027 4.170 -1.432 0.000 0.245 77 I C 2.193 178.462 176.117 0.254 0.000 1.100 77 I CA 1.736 63.148 61.300 0.187 0.000 1.374 77 I CB -1.783 36.335 38.000 0.197 0.000 1.057 77 I HN 0.302 nan 8.210 nan 0.000 0.413 78 N N 0.696 119.497 118.700 0.169 0.000 2.104 78 N HA -0.161 3.720 4.740 -1.432 0.000 0.190 78 N C 1.985 177.577 175.510 0.137 0.000 1.024 78 N CA 1.639 54.783 53.050 0.157 0.000 0.853 78 N CB -0.061 38.463 38.487 0.062 0.000 1.008 78 N HN 0.154 nan 8.380 nan 0.000 0.424 79 S N -0.782 114.968 115.700 0.084 0.000 2.387 79 S HA -0.197 3.414 4.470 -1.432 0.000 0.230 79 S C 2.183 176.773 174.600 -0.017 0.000 1.035 79 S CA 0.958 59.174 58.200 0.027 0.000 1.014 79 S CB -0.541 62.679 63.200 0.035 0.000 0.836 79 S HN 0.580 nan 8.310 nan 0.000 0.466 80 C N 0.502 119.833 119.300 0.053 0.000 2.476 80 C HA 0.011 3.612 4.460 -1.432 0.000 0.278 80 C C 2.217 177.176 174.990 -0.052 0.000 1.274 80 C CA 0.343 59.377 59.018 0.027 0.000 1.713 80 C CB -1.620 26.154 27.740 0.056 0.000 2.039 80 C HN 0.582 nan 8.230 nan 0.000 0.484 81 F N 1.221 121.182 119.950 0.019 0.000 2.171 81 F HA -0.036 3.632 4.527 -1.431 0.000 0.300 81 F C 2.577 178.355 175.800 -0.037 0.000 1.090 81 F CA 2.007 60.010 58.000 0.005 0.000 1.293 81 F CB -0.553 38.439 39.000 -0.012 0.000 1.013 81 F HN 0.250 nan 8.300 nan 0.000 0.486 82 R N 0.577 121.134 120.500 0.096 0.000 2.066 82 R HA -0.105 3.376 4.340 -1.432 0.000 0.232 82 R C 2.316 178.556 176.300 -0.100 0.000 1.131 82 R CA 1.480 57.584 56.100 0.006 0.000 0.955 82 R CB -0.584 29.706 30.300 -0.017 0.000 0.851 82 R HN 0.181 nan 8.270 nan 0.000 0.432 83 A N 0.009 122.657 122.820 -0.286 0.000 1.855 83 A HA -0.061 3.400 4.320 -1.432 0.000 0.215 83 A C 1.502 178.812 177.584 -0.457 0.000 1.191 83 A CA 1.188 52.869 52.037 -0.593 0.000 0.613 83 A CB -0.332 17.870 19.000 -1.330 0.000 0.829 83 A HN 0.445 nan 8.150 nan 0.000 0.442 84 F N -1.811 118.144 119.950 0.008 0.000 2.706 84 F HA 0.405 4.074 4.527 -1.430 0.000 0.308 84 F C 1.820 177.603 175.800 -0.028 0.000 1.095 84 F CA -0.155 57.836 58.000 -0.016 0.000 1.244 84 F CB -0.116 38.862 39.000 -0.036 0.000 1.063 84 F HN 0.378 nan 8.300 nan 0.000 0.582 85 G N 1.495 110.366 108.800 0.119 0.000 2.184 85 G HA2 -0.311 2.789 3.960 -1.432 0.000 0.264 85 G HA3 -0.311 2.789 3.960 -1.432 0.000 0.264 85 G C 0.370 175.331 174.900 0.102 0.000 0.975 85 G CA 0.454 45.636 45.100 0.137 0.000 0.642 85 G HN 0.599 nan 8.290 nan 0.000 0.536 86 R N -2.559 117.837 120.500 -0.172 0.000 2.728 86 R HA 0.689 4.169 4.340 -1.432 0.000 0.274 86 R C -1.470 174.352 176.300 -0.798 0.000 1.030 86 R CA -0.487 55.328 56.100 -0.475 0.000 0.876 86 R CB 0.788 31.006 30.300 -0.138 0.000 1.259 86 R HN 0.665 nan 8.270 nan 0.000 0.468 87 C N 1.687 120.507 119.300 -0.801 0.000 2.781 87 C HA 0.421 4.022 4.460 -1.432 0.000 0.348 87 C C -0.197 174.724 174.990 -0.115 0.000 1.051 87 C CA -0.403 58.359 59.018 -0.426 0.000 1.347 87 C CB 0.654 28.082 27.740 -0.521 0.000 1.846 87 C HN 0.948 nan 8.230 nan 0.000 0.473 88 D N 2.139 122.600 120.400 0.102 0.000 2.338 88 D HA 0.148 3.929 4.640 -1.432 0.000 0.208 88 D C 0.273 176.808 176.300 0.392 0.000 0.997 88 D CA 0.850 54.983 54.000 0.222 0.000 0.880 88 D CB 0.971 41.898 40.800 0.211 0.000 0.980 88 D HN 0.380 nan 8.370 nan 0.000 0.509 89 V N 1.316 121.426 119.914 0.325 0.000 2.971 89 V HA 0.375 3.635 4.120 -1.432 0.000 0.309 89 V C -1.333 174.789 176.094 0.046 0.000 1.130 89 V CA -0.950 61.416 62.300 0.111 0.000 0.964 89 V CB 3.142 34.922 31.823 -0.073 0.000 1.029 89 V HN -0.048 nan 8.190 nan 0.000 0.427 90 L N 4.575 125.685 121.223 -0.189 0.000 2.409 90 L HA 0.802 4.283 4.340 -1.432 0.000 0.272 90 L C -1.118 175.640 176.870 -0.186 0.000 0.980 90 L CA -0.179 54.548 54.840 -0.187 0.000 0.826 90 L CB 2.004 43.843 42.059 -0.366 0.000 1.268 90 L HN 0.417 nan 8.230 nan 0.000 0.407 91 V N 5.023 124.869 119.914 -0.113 0.000 2.357 91 V HA 0.492 3.752 4.120 -1.432 0.000 0.284 91 V C -0.295 175.757 176.094 -0.070 0.000 1.018 91 V CA -0.672 61.571 62.300 -0.096 0.000 0.841 91 V CB 1.385 33.162 31.823 -0.076 0.000 0.991 91 V HN 0.727 nan 8.190 nan 0.000 0.437 92 N N 3.988 122.642 118.700 -0.076 0.000 2.602 92 N HA 0.162 4.043 4.740 -1.432 0.000 0.238 92 N C 0.615 176.104 175.510 -0.034 0.000 1.084 92 N CA 0.057 53.071 53.050 -0.059 0.000 0.952 92 N CB 1.063 39.511 38.487 -0.065 0.000 1.244 92 N HN 0.789 nan 8.380 nan 0.000 0.512 93 N N 1.236 119.929 118.700 -0.012 0.000 2.460 93 N HA 0.076 3.957 4.740 -1.432 0.000 0.193 93 N C 0.133 175.666 175.510 0.039 0.000 1.080 93 N CA -0.194 52.862 53.050 0.010 0.000 0.869 93 N CB 0.343 38.840 38.487 0.016 0.000 1.201 93 N HN 0.384 nan 8.380 nan 0.000 0.457 94 A N 0.401 123.251 122.820 0.051 0.000 2.567 94 A HA 0.397 3.857 4.320 -1.432 0.000 0.240 94 A C 0.025 177.655 177.584 0.078 0.000 1.053 94 A CA 0.459 52.547 52.037 0.085 0.000 0.755 94 A CB -0.180 18.871 19.000 0.086 0.000 0.978 94 A HN 0.291 nan 8.150 nan 0.000 0.507 95 S N 1.244 117.014 115.700 0.116 0.000 2.563 95 S HA 0.592 4.203 4.470 -1.432 0.000 0.279 95 S C -0.478 174.244 174.600 0.204 0.000 1.155 95 S CA 0.035 58.327 58.200 0.153 0.000 0.928 95 S CB 0.889 64.194 63.200 0.176 0.000 1.107 95 S HN 1.997 nan 8.310 nan 0.000 0.462 96 A N 3.329 126.281 122.820 0.220 0.000 2.340 96 A HA 0.817 4.278 4.320 -1.432 0.000 0.268 96 A C -0.771 177.010 177.584 0.328 0.000 1.100 96 A CA -0.331 51.871 52.037 0.275 0.000 0.803 96 A CB 0.181 19.337 19.000 0.259 0.000 1.043 96 A HN 1.408 nan 8.150 nan 0.000 0.488 97 F N 3.168 123.188 119.950 0.117 0.000 2.787 97 F HA 0.585 4.255 4.527 -1.430 0.000 0.340 97 F C -1.486 174.382 175.800 0.113 0.000 1.232 97 F CA -0.681 57.293 58.000 -0.043 0.000 1.051 97 F CB 1.013 39.907 39.000 -0.177 0.000 1.330 97 F HN 0.734 nan 8.300 nan 0.000 0.522 98 Y N 3.741 123.723 120.300 -0.530 0.000 2.677 98 Y HA 0.765 4.456 4.550 -1.432 0.000 0.334 98 Y C -3.216 172.123 175.900 -0.936 0.000 1.196 98 Y CA -2.992 54.737 58.100 -0.619 0.000 1.059 98 Y CB 0.491 38.776 38.460 -0.292 0.000 1.315 98 Y HN 0.295 nan 8.280 nan 0.000 0.455 99 P HA 0.221 nan 4.420 nan 0.000 0.275 99 P C -0.360 176.684 177.300 -0.427 0.000 1.228 99 P CA -0.122 62.319 63.100 -1.097 0.000 0.786 99 P CB 1.206 32.423 31.700 -0.805 0.000 0.927 100 T N -1.058 113.276 114.554 -0.366 0.000 3.305 100 T HA 0.404 3.895 4.350 -1.432 0.000 0.348 100 T C -2.733 171.904 174.700 -0.105 0.000 1.394 100 T CA -2.274 59.732 62.100 -0.157 0.000 1.549 100 T CB -0.202 68.583 68.868 -0.139 0.000 0.962 100 T HN 0.091 nan 8.240 nan 0.000 0.609 101 P HA 0.160 nan 4.420 nan 0.000 0.265 101 P C 0.903 178.190 177.300 -0.021 0.000 1.187 101 P CA -0.321 62.755 63.100 -0.040 0.000 0.766 101 P CB 0.730 32.411 31.700 -0.030 0.000 0.820 102 L N 1.772 122.990 121.223 -0.007 0.000 2.240 102 L HA 0.005 3.486 4.340 -1.432 0.000 0.211 102 L C 0.648 177.517 176.870 -0.002 0.000 1.106 102 L CA 0.885 55.724 54.840 -0.003 0.000 0.793 102 L CB -0.006 42.055 42.059 0.004 0.000 0.927 102 L HN 0.156 nan 8.230 nan 0.000 0.446 103 V N -0.438 119.476 119.914 -0.000 0.000 2.531 103 V HA 0.288 3.548 4.120 -1.432 0.000 0.301 103 V C -0.465 175.628 176.094 -0.001 0.000 1.034 103 V CA -0.804 61.496 62.300 0.001 0.000 0.865 103 V CB 1.767 33.592 31.823 0.004 0.000 0.995 103 V HN 0.095 nan 8.190 nan 0.000 0.424 113 G N 2.524 111.280 108.800 -0.074 0.000 4.951 113 G HA2 0.275 3.375 3.960 -1.432 0.000 0.282 113 G HA3 0.275 3.375 3.960 -1.432 0.000 0.282 113 G C -0.446 174.426 174.900 -0.047 0.000 1.301 113 G CA -0.240 44.831 45.100 -0.049 0.000 0.975 113 G HN 0.403 nan 8.290 nan 0.000 0.589 114 K N 0.559 120.926 120.400 -0.054 0.000 2.090 114 K HA 0.559 4.020 4.320 -1.432 0.000 0.249 114 K C 0.704 177.302 176.600 -0.002 0.000 0.995 114 K CA -0.531 55.737 56.287 -0.031 0.000 0.914 114 K CB 1.232 33.707 32.500 -0.042 0.000 1.057 114 K HN 0.298 nan 8.250 nan 0.000 0.462 115 T N -2.484 112.075 114.554 0.008 0.000 2.882 115 T HA 0.092 3.582 4.350 -1.432 0.000 0.287 115 T C 1.456 176.172 174.700 0.027 0.000 1.014 115 T CA -0.922 61.186 62.100 0.013 0.000 1.049 115 T CB 0.875 69.749 68.868 0.010 0.000 1.001 115 T HN 0.229 nan 8.240 nan 0.000 0.525 116 V N 1.468 121.394 119.914 0.020 0.000 2.407 116 V HA -0.134 3.127 4.120 -1.432 0.000 0.248 116 V C 2.539 178.648 176.094 0.025 0.000 1.055 116 V CA 1.902 64.215 62.300 0.023 0.000 1.049 116 V CB -1.383 30.446 31.823 0.010 0.000 0.662 116 V HN 0.884 nan 8.190 nan 0.000 0.455 117 E N 0.699 120.911 120.200 0.020 0.000 2.153 117 E HA -0.138 3.352 4.350 -1.432 0.000 0.194 117 E C 2.223 178.842 176.600 0.030 0.000 0.988 117 E CA 1.724 58.135 56.400 0.019 0.000 0.811 117 E CB -0.688 29.020 29.700 0.014 0.000 0.746 117 E HN 0.588 nan 8.360 nan 0.000 0.466 118 T N 0.752 115.330 114.554 0.041 0.000 2.896 118 T HA -0.103 3.388 4.350 -1.432 0.000 0.263 118 T C 1.726 176.487 174.700 0.102 0.000 1.050 118 T CA 0.971 63.106 62.100 0.059 0.000 1.140 118 T CB -0.144 68.754 68.868 0.049 0.000 0.877 118 T HN 0.164 nan 8.240 nan 0.000 0.457 119 Q N 0.517 120.388 119.800 0.118 0.000 2.030 119 Q HA -0.109 3.372 4.340 -1.432 0.000 0.204 119 Q C 2.544 178.579 176.000 0.058 0.000 0.986 119 Q CA 1.435 57.330 55.803 0.152 0.000 0.843 119 Q CB -0.630 28.177 28.738 0.114 0.000 0.904 119 Q HN 0.298 nan 8.270 nan 0.000 0.420 120 V N 1.095 121.028 119.914 0.031 0.000 2.252 120 V HA -0.352 2.909 4.120 -1.432 0.000 0.249 120 V C 2.286 178.390 176.094 0.016 0.000 1.056 120 V CA 2.087 64.392 62.300 0.009 0.000 1.022 120 V CB -1.101 30.724 31.823 0.005 0.000 0.641 120 V HN 0.486 nan 8.190 nan 0.000 0.445 121 A N -0.768 122.069 122.820 0.029 0.000 1.902 121 A HA -0.236 3.225 4.320 -1.432 0.000 0.217 121 A C 2.170 179.778 177.584 0.040 0.000 1.181 121 A CA 1.914 53.968 52.037 0.029 0.000 0.623 121 A CB -0.467 18.551 19.000 0.030 0.000 0.818 121 A HN 0.657 nan 8.150 nan 0.000 0.443 122 E N -0.363 119.881 120.200 0.074 0.000 2.072 122 E HA -0.076 3.415 4.350 -1.432 0.000 0.190 122 E C 1.952 178.594 176.600 0.070 0.000 0.982 122 E CA 1.026 57.485 56.400 0.099 0.000 0.803 122 E CB -0.205 29.623 29.700 0.213 0.000 0.755 122 E HN 0.609 nan 8.360 nan 0.000 0.453 123 L N 0.567 121.801 121.223 0.018 0.000 2.095 123 L HA -0.095 3.385 4.340 -1.432 0.000 0.204 123 L C 2.202 179.075 176.870 0.005 0.000 1.080 123 L CA 0.367 55.197 54.840 -0.016 0.000 0.759 123 L CB -0.096 41.896 42.059 -0.111 0.000 0.914 123 L HN 0.174 nan 8.230 nan 0.000 0.439 124 I N -0.191 120.376 120.570 -0.005 0.000 2.480 124 I HA -0.033 3.278 4.170 -1.432 0.000 0.251 124 I C 2.612 178.728 176.117 -0.002 0.000 1.124 124 I CA 1.190 62.483 61.300 -0.012 0.000 1.444 124 I CB -1.936 36.053 38.000 -0.018 0.000 1.098 124 I HN 0.157 nan 8.210 nan 0.000 0.428 125 G N 1.676 110.481 108.800 0.008 0.000 2.480 125 G HA2 -0.295 2.806 3.960 -1.432 0.000 0.216 125 G HA3 -0.295 2.806 3.960 -1.432 0.000 0.216 125 G C 1.715 176.620 174.900 0.010 0.000 1.200 125 G CA 2.071 47.178 45.100 0.011 0.000 0.782 125 G HN 0.454 nan 8.290 nan 0.000 0.554 126 T N -0.917 113.647 114.554 0.017 0.000 2.857 126 T HA -0.056 3.435 4.350 -1.432 0.000 0.266 126 T C 2.032 176.744 174.700 0.021 0.000 1.048 126 T CA 1.319 63.430 62.100 0.018 0.000 1.139 126 T CB -0.204 68.696 68.868 0.054 0.000 0.874 126 T HN 0.199 nan 8.240 nan 0.000 0.455 127 N N 1.127 119.841 118.700 0.023 0.000 2.424 127 N HA 0.312 4.193 4.740 -1.432 0.000 0.178 127 N C 1.557 177.056 175.510 -0.019 0.000 1.060 127 N CA 1.010 54.060 53.050 -0.000 0.000 0.901 127 N CB 0.336 38.806 38.487 -0.029 0.000 0.979 127 N HN 0.641 nan 8.380 nan 0.000 0.451 128 A N -0.144 122.672 122.820 -0.005 0.000 1.773 128 A HA 0.300 3.761 4.320 -1.432 0.000 0.210 128 A C 1.819 179.433 177.584 0.049 0.000 1.775 128 A CA -0.219 51.820 52.037 0.004 0.000 1.157 128 A CB -0.066 18.920 19.000 -0.023 0.000 1.119 128 A HN -0.003 nan 8.150 nan 0.000 0.501 129 I N 0.767 121.363 120.570 0.042 0.000 2.233 129 I HA -0.162 3.148 4.170 -1.432 0.000 0.243 129 I C 2.909 179.113 176.117 0.146 0.000 1.093 129 I CA 1.255 62.613 61.300 0.096 0.000 1.380 129 I CB -0.404 37.623 38.000 0.045 0.000 1.067 129 I HN 0.358 nan 8.210 nan 0.000 0.413 130 A N 1.559 124.416 122.820 0.062 0.000 1.858 130 A HA -0.109 3.352 4.320 -1.432 0.000 0.216 130 A C 0.117 177.709 177.584 0.014 0.000 1.190 130 A CA 1.652 53.702 52.037 0.022 0.000 0.617 130 A CB -1.952 17.030 19.000 -0.030 0.000 0.827 130 A HN 0.235 nan 8.150 nan 0.000 0.443 131 P HA -0.231 nan 4.420 nan 0.000 0.218 131 P C 1.487 178.804 177.300 0.028 0.000 1.154 131 P CA 1.618 64.720 63.100 0.003 0.000 0.872 131 P CB -0.184 31.522 31.700 0.010 0.000 0.790 132 F N -0.239 119.684 119.950 -0.045 0.000 2.146 132 F HA -0.133 3.534 4.527 -1.433 0.000 0.298 132 F C 1.885 177.669 175.800 -0.026 0.000 1.096 132 F CA 1.443 59.421 58.000 -0.036 0.000 1.275 132 F CB -0.938 38.044 39.000 -0.031 0.000 1.008 132 F HN -0.242 nan 8.300 nan 0.000 0.480 133 L N -0.088 120.993 121.223 -0.236 0.000 2.109 133 L HA -0.172 3.308 4.340 -1.432 0.000 0.207 133 L C 2.487 179.226 176.870 -0.218 0.000 1.086 133 L CA 0.904 55.560 54.840 -0.306 0.000 0.760 133 L CB -0.759 41.271 42.059 -0.048 0.000 0.910 133 L HN 0.210 nan 8.230 nan 0.000 0.437 134 L N -0.726 120.421 121.223 -0.125 0.000 2.042 134 L HA -0.237 3.244 4.340 -1.432 0.000 0.210 134 L C 2.592 179.426 176.870 -0.060 0.000 1.076 134 L CA 1.606 56.403 54.840 -0.072 0.000 0.749 134 L CB -0.869 41.150 42.059 -0.066 0.000 0.893 134 L HN 0.268 nan 8.230 nan 0.000 0.432 135 T N -0.678 113.795 114.554 -0.137 0.000 2.821 135 T HA -0.219 3.271 4.350 -1.432 0.000 0.267 135 T C 1.807 176.443 174.700 -0.106 0.000 1.046 135 T CA 1.441 63.468 62.100 -0.122 0.000 1.139 135 T CB -0.126 68.652 68.868 -0.151 0.000 0.871 135 T HN 0.275 nan 8.240 nan 0.000 0.454 136 M N 0.861 120.295 119.600 -0.277 0.000 2.067 136 M HA -0.121 3.499 4.480 -1.432 0.000 0.260 136 M C 2.353 178.574 176.300 -0.133 0.000 1.069 136 M CA 1.556 56.687 55.300 -0.281 0.000 1.117 136 M CB -0.155 32.145 32.600 -0.499 0.000 1.334 136 M HN 0.075 nan 8.290 nan 0.000 0.407 137 S N 0.156 115.802 115.700 -0.091 0.000 2.355 137 S HA -0.136 3.475 4.470 -1.432 0.000 0.222 137 S C 1.535 176.166 174.600 0.051 0.000 1.031 137 S CA 1.430 59.614 58.200 -0.027 0.000 0.993 137 S CB -0.635 62.559 63.200 -0.011 0.000 0.859 137 S HN 0.610 nan 8.310 nan 0.000 0.453 138 F N 2.559 122.487 119.950 -0.036 0.000 2.087 138 F HA -0.291 3.378 4.527 -1.430 0.000 0.299 138 F C 2.305 178.102 175.800 -0.005 0.000 1.100 138 F CA 1.520 59.531 58.000 0.018 0.000 1.226 138 F CB -0.626 38.366 39.000 -0.014 0.000 0.983 138 F HN 0.195 nan 8.300 nan 0.000 0.479 139 A N -0.676 122.238 122.820 0.155 0.000 1.898 139 A HA -0.208 3.253 4.320 -1.432 0.000 0.216 139 A C 2.047 179.554 177.584 -0.129 0.000 1.181 139 A CA 1.560 53.588 52.037 -0.015 0.000 0.620 139 A CB -0.928 18.012 19.000 -0.100 0.000 0.819 139 A HN 0.526 nan 8.150 nan 0.000 0.442 140 Q N 0.106 119.840 119.800 -0.109 0.000 2.084 140 Q HA -0.098 3.383 4.340 -1.432 0.000 0.202 140 Q C 2.024 177.948 176.000 -0.127 0.000 0.978 140 Q CA 1.660 57.398 55.803 -0.108 0.000 0.844 140 Q CB -0.218 28.461 28.738 -0.097 0.000 0.898 140 Q HN 0.606 nan 8.270 nan 0.000 0.426 141 R N 0.055 120.456 120.500 -0.165 0.000 2.316 141 R HA 0.007 3.488 4.340 -1.432 0.000 0.202 141 R C 0.048 176.230 176.300 -0.197 0.000 1.029 141 R CA 0.245 56.177 56.100 -0.280 0.000 1.018 141 R CB 0.147 30.185 30.300 -0.437 0.000 0.888 141 R HN 0.293 nan 8.270 nan 0.000 0.471 142 Q N 1.993 121.718 119.800 -0.126 0.000 2.837 142 Q HA 0.132 3.612 4.340 -1.432 0.000 0.235 142 Q C -0.191 175.806 176.000 -0.006 0.000 1.348 142 Q CA 0.608 56.377 55.803 -0.056 0.000 0.990 142 Q CB 0.404 29.096 28.738 -0.078 0.000 1.570 142 Q HN 0.006 nan 8.270 nan 0.000 0.575 153 N N 1.322 120.050 118.700 0.046 0.000 2.790 153 N HA 0.440 4.321 4.740 -1.432 0.000 0.256 153 N C -1.736 173.835 175.510 0.101 0.000 1.409 153 N CA -0.413 52.673 53.050 0.060 0.000 0.799 153 N CB 0.098 38.610 38.487 0.043 0.000 1.170 153 N HN 0.505 nan 8.380 nan 0.000 0.507 154 L N 1.541 122.837 121.223 0.123 0.000 2.331 154 L HA 0.540 4.021 4.340 -1.432 0.000 0.278 154 L C 0.550 177.512 176.870 0.153 0.000 1.106 154 L CA -0.135 54.830 54.840 0.208 0.000 0.824 154 L CB 0.793 43.003 42.059 0.252 0.000 1.142 154 L HN 0.594 nan 8.230 nan 0.000 0.443 155 S N 3.511 119.278 115.700 0.112 0.000 2.565 155 S HA 0.788 4.399 4.470 -1.432 0.000 0.269 155 S C -0.957 173.510 174.600 -0.221 0.000 1.153 155 S CA -0.894 57.282 58.200 -0.040 0.000 0.835 155 S CB 1.078 64.253 63.200 -0.042 0.000 1.122 155 S HN 0.309 nan 8.310 nan 0.000 0.462 156 I N 1.764 122.174 120.570 -0.266 0.000 2.530 156 I HA 0.727 4.038 4.170 -1.432 0.000 0.297 156 I C -0.750 175.253 176.117 -0.191 0.000 1.011 156 I CA -1.213 59.889 61.300 -0.329 0.000 1.107 156 I CB 2.018 39.783 38.000 -0.390 0.000 1.285 156 I HN 0.651 nan 8.210 nan 0.000 0.436 157 V N 5.515 125.328 119.914 -0.168 0.000 2.638 157 V HA 0.570 3.831 4.120 -1.432 0.000 0.306 157 V C -1.280 174.755 176.094 -0.098 0.000 1.052 157 V CA -0.384 61.849 62.300 -0.112 0.000 0.885 157 V CB 2.032 33.803 31.823 -0.086 0.000 0.999 157 V HN 0.715 nan 8.190 nan 0.000 0.424 158 N N 5.977 124.630 118.700 -0.077 0.000 2.400 158 N HA 0.467 4.348 4.740 -1.432 0.000 0.288 158 N C -0.992 174.487 175.510 -0.051 0.000 1.024 158 N CA -0.484 52.527 53.050 -0.065 0.000 0.894 158 N CB 2.114 40.564 38.487 -0.062 0.000 1.173 158 N HN 0.593 nan 8.380 nan 0.000 0.487 159 L N 2.557 123.754 121.223 -0.043 0.000 2.342 159 L HA 0.252 3.732 4.340 -1.432 0.000 0.285 159 L C 0.690 177.537 176.870 -0.039 0.000 1.095 159 L CA -0.043 54.776 54.840 -0.035 0.000 0.843 159 L CB -0.413 41.632 42.059 -0.023 0.000 1.201 159 L HN 0.570 nan 8.230 nan 0.000 0.445 160 C N 2.423 121.693 119.300 -0.050 0.000 1.709 160 C HA 0.530 4.131 4.460 -1.432 0.000 0.229 160 C C 0.452 175.407 174.990 -0.058 0.000 3.002 160 C CA -0.468 58.508 59.018 -0.071 0.000 1.897 160 C CB 1.365 29.055 27.740 -0.083 0.000 2.506 160 C HN 0.778 nan 8.230 nan 0.000 0.288 161 D N -1.377 118.977 120.400 -0.076 0.000 2.548 161 D HA 0.342 4.123 4.640 -1.432 0.000 0.214 161 D C 0.226 176.486 176.300 -0.067 0.000 1.345 161 D CA 0.015 53.984 54.000 -0.052 0.000 0.945 161 D CB 1.310 42.107 40.800 -0.005 0.000 1.499 161 D HN 0.531 nan 8.370 nan 0.000 0.579 162 A N 3.936 126.722 122.820 -0.057 0.000 2.084 162 A HA -0.153 3.308 4.320 -1.432 0.000 0.221 162 A C 1.587 179.151 177.584 -0.032 0.000 1.161 162 A CA 1.102 53.111 52.037 -0.046 0.000 0.653 162 A CB -0.226 18.752 19.000 -0.037 0.000 0.802 162 A HN 0.579 nan 8.150 nan 0.000 0.457 163 M N 0.522 120.107 119.600 -0.024 0.000 2.551 163 M HA 0.069 3.689 4.480 -1.432 0.000 0.252 163 M C 1.588 177.903 176.300 0.025 0.000 1.219 163 M CA 0.260 55.566 55.300 0.010 0.000 0.978 163 M CB -0.620 31.987 32.600 0.013 0.000 1.533 163 M HN 0.380 nan 8.290 nan 0.000 0.474 164 V N -1.822 118.073 119.914 -0.032 0.000 2.594 164 V HA -0.155 3.105 4.120 -1.432 0.000 0.253 164 V C 1.234 177.391 176.094 0.106 0.000 1.069 164 V CA 1.659 63.932 62.300 -0.045 0.000 1.082 164 V CB -0.667 30.926 31.823 -0.384 0.000 0.680 164 V HN 0.265 nan 8.190 nan 0.000 0.469 165 D N 0.013 120.461 120.400 0.080 0.000 2.339 165 D HA 0.124 3.905 4.640 -1.432 0.000 0.217 165 D C 0.769 177.130 176.300 0.102 0.000 1.050 165 D CA 0.488 54.564 54.000 0.127 0.000 0.856 165 D CB 0.279 41.132 40.800 0.089 0.000 0.922 165 D HN 0.646 nan 8.370 nan 0.000 0.518 166 Q N 0.823 120.680 119.800 0.095 0.000 3.394 166 Q HA 0.212 3.693 4.340 -1.432 0.000 0.285 166 Q C -2.490 173.576 176.000 0.111 0.000 0.866 166 Q CA -1.221 54.641 55.803 0.097 0.000 0.844 166 Q CB 2.346 31.138 28.738 0.090 0.000 1.472 166 Q HN 0.078 nan 8.270 nan 0.000 0.401 167 P HA 0.187 nan 4.420 nan 0.000 0.276 167 P C -0.181 177.193 177.300 0.124 0.000 1.261 167 P CA -0.467 62.714 63.100 0.134 0.000 0.800 167 P CB 1.036 32.839 31.700 0.172 0.000 1.066 168 C N 0.931 120.265 119.300 0.056 0.000 2.676 168 C HA 0.229 3.829 4.460 -1.432 0.000 0.416 168 C C 1.169 176.274 174.990 0.192 0.000 1.299 168 C CA -0.164 58.853 59.018 -0.002 0.000 2.048 168 C CB -0.933 26.453 27.740 -0.589 0.000 2.713 168 C HN 0.571 nan 8.230 nan 0.000 0.624 169 M N 3.480 123.222 119.600 0.238 0.000 2.246 169 M HA 0.394 4.015 4.480 -1.432 0.000 0.350 169 M C 0.830 177.365 176.300 0.393 0.000 1.406 169 M CA 1.262 56.717 55.300 0.258 0.000 1.089 169 M CB -0.308 32.402 32.600 0.183 0.000 1.782 169 M HN 1.075 nan 8.290 nan 0.000 0.457 170 A N 4.186 127.166 122.820 0.267 0.000 3.157 170 A HA -0.187 3.274 4.320 -1.432 0.000 0.237 170 A C -0.043 177.548 177.584 0.011 0.000 1.330 170 A CA 0.897 53.009 52.037 0.125 0.000 0.992 170 A CB -2.650 16.369 19.000 0.032 0.000 1.131 170 A HN 0.747 nan 8.150 nan 0.000 0.781 171 F N 0.839 120.800 119.950 0.020 0.000 2.928 171 F HA 0.269 3.937 4.527 -1.431 0.000 0.337 171 F C 1.798 177.641 175.800 0.071 0.000 1.259 171 F CA 0.376 58.385 58.000 0.015 0.000 1.267 171 F CB 0.228 39.258 39.000 0.049 0.000 0.986 171 F HN 0.415 nan 8.300 nan 0.000 0.507 172 S N -0.613 115.169 115.700 0.137 0.000 2.368 172 S HA -0.181 3.429 4.470 -1.432 0.000 0.225 172 S C 1.943 176.585 174.600 0.071 0.000 1.030 172 S CA 1.102 59.362 58.200 0.100 0.000 0.999 172 S CB -0.483 62.748 63.200 0.051 0.000 0.844 172 S HN 0.490 nan 8.310 nan 0.000 0.459 173 L N -0.364 120.874 121.223 0.025 0.000 2.093 173 L HA -0.005 3.476 4.340 -1.432 0.000 0.208 173 L C 2.639 179.531 176.870 0.037 0.000 1.085 173 L CA 1.643 56.482 54.840 -0.002 0.000 0.755 173 L CB -0.652 41.374 42.059 -0.056 0.000 0.904 173 L HN 0.351 nan 8.230 nan 0.000 0.435 174 Y N 1.150 121.434 120.300 -0.026 0.000 2.097 174 Y HA -0.351 3.339 4.550 -1.433 0.000 0.282 174 Y C 2.491 178.456 175.900 0.108 0.000 1.152 174 Y CA 2.164 60.300 58.100 0.060 0.000 1.136 174 Y CB -0.386 38.190 38.460 0.194 0.000 0.975 174 Y HN 0.186 nan 8.280 nan 0.000 0.498 175 N N -0.000 118.763 118.700 0.106 0.000 2.104 175 N HA -0.215 3.666 4.740 -1.432 0.000 0.190 175 N C 1.756 177.284 175.510 0.031 0.000 1.024 175 N CA 2.140 55.212 53.050 0.038 0.000 0.853 175 N CB -0.336 38.270 38.487 0.199 0.000 1.008 175 N HN 0.505 nan 8.380 nan 0.000 0.424 176 M N -1.040 118.573 119.600 0.021 0.000 2.159 176 M HA -0.028 3.592 4.480 -1.432 0.000 0.263 176 M C 2.140 178.427 176.300 -0.020 0.000 1.063 176 M CA 1.562 56.865 55.300 0.004 0.000 1.110 176 M CB -0.450 32.140 32.600 -0.017 0.000 1.374 176 M HN 0.235 nan 8.290 nan 0.000 0.411 177 G N 0.493 109.244 108.800 -0.082 0.000 2.404 177 G HA2 -0.161 2.939 3.960 -1.432 0.000 0.215 177 G HA3 -0.161 2.939 3.960 -1.432 0.000 0.215 177 G C 1.682 176.495 174.900 -0.145 0.000 1.174 177 G CA 0.564 45.601 45.100 -0.106 0.000 0.780 177 G HN 0.223 nan 8.290 nan 0.000 0.537 178 K N 0.211 120.443 120.400 -0.280 0.000 2.147 178 K HA -0.042 3.418 4.320 -1.432 0.000 0.205 178 K C 2.050 178.549 176.600 -0.169 0.000 1.049 178 K CA 0.734 56.856 56.287 -0.274 0.000 0.936 178 K CB -0.503 31.735 32.500 -0.437 0.000 0.722 178 K HN 0.425 nan 8.250 nan 0.000 0.446 179 H N 0.280 119.269 119.070 -0.135 0.000 2.357 179 H HA 0.007 3.705 4.556 -1.430 0.000 0.301 179 H C 1.937 177.222 175.328 -0.072 0.000 1.082 179 H CA 1.314 57.312 56.048 -0.083 0.000 1.342 179 H CB 0.225 29.949 29.762 -0.063 0.000 1.389 179 H HN 0.181 nan 8.280 nan 0.000 0.511 180 A N 1.164 124.013 122.820 0.049 0.000 1.908 180 A HA -0.168 3.293 4.320 -1.432 0.000 0.218 180 A C 2.455 180.029 177.584 -0.017 0.000 1.181 180 A CA 1.323 53.360 52.037 -0.000 0.000 0.627 180 A CB -0.766 18.217 19.000 -0.028 0.000 0.818 180 A HN 0.287 nan 8.150 nan 0.000 0.445 181 L N 0.265 121.465 121.223 -0.039 0.000 2.046 181 L HA -0.132 3.348 4.340 -1.432 0.000 0.208 181 L C 2.625 179.470 176.870 -0.043 0.000 1.077 181 L CA 2.307 57.122 54.840 -0.042 0.000 0.747 181 L CB -0.641 41.379 42.059 -0.066 0.000 0.896 181 L HN 0.400 nan 8.230 nan 0.000 0.432 182 V N -1.151 118.727 119.914 -0.060 0.000 2.407 182 V HA -0.116 3.144 4.120 -1.432 0.000 0.248 182 V C 2.243 178.325 176.094 -0.020 0.000 1.055 182 V CA 1.988 64.256 62.300 -0.052 0.000 1.049 182 V CB -1.450 30.324 31.823 -0.081 0.000 0.662 182 V HN 0.445 nan 8.190 nan 0.000 0.455 183 G N -0.071 108.727 108.800 -0.004 0.000 2.421 183 G HA2 -0.177 2.924 3.960 -1.432 0.000 0.217 183 G HA3 -0.177 2.924 3.960 -1.432 0.000 0.217 183 G C 1.468 176.371 174.900 0.005 0.000 1.143 183 G CA 0.980 46.083 45.100 0.004 0.000 0.784 183 G HN 0.558 nan 8.290 nan 0.000 0.541 184 L N 1.363 122.590 121.223 0.008 0.000 2.017 184 L HA -0.039 3.442 4.340 -1.432 0.000 0.208 184 L C 2.855 179.733 176.870 0.013 0.000 1.073 184 L CA 2.705 57.565 54.840 0.032 0.000 0.745 184 L CB -1.192 40.897 42.059 0.051 0.000 0.894 184 L HN 0.186 nan 8.230 nan 0.000 0.432 185 T N -0.419 114.130 114.554 -0.009 0.000 2.665 185 T HA -0.281 3.210 4.350 -1.432 0.000 0.268 185 T C 1.799 176.490 174.700 -0.015 0.000 1.035 185 T CA 2.130 64.216 62.100 -0.022 0.000 1.151 185 T CB -0.319 68.530 68.868 -0.032 0.000 0.862 185 T HN 0.531 nan 8.240 nan 0.000 0.438 186 Q N 0.526 120.321 119.800 -0.008 0.000 2.049 186 Q HA -0.004 3.477 4.340 -1.432 0.000 0.198 186 Q C 2.848 178.850 176.000 0.003 0.000 0.971 186 Q CA 1.336 57.137 55.803 -0.004 0.000 0.833 186 Q CB -0.235 28.503 28.738 -0.001 0.000 0.896 186 Q HN 0.352 nan 8.270 nan 0.000 0.434 187 S N 0.742 116.449 115.700 0.011 0.000 2.359 187 S HA -0.186 3.425 4.470 -1.432 0.000 0.224 187 S C 2.049 176.664 174.600 0.026 0.000 1.035 187 S CA 1.183 59.397 58.200 0.022 0.000 1.018 187 S CB -0.318 62.901 63.200 0.032 0.000 0.876 187 S HN 0.503 nan 8.310 nan 0.000 0.448 188 A N 1.333 124.166 122.820 0.022 0.000 1.898 188 A HA 0.205 3.666 4.320 -1.432 0.000 0.216 188 A C 2.345 179.928 177.584 -0.002 0.000 1.181 188 A CA 1.577 53.619 52.037 0.009 0.000 0.620 188 A CB -1.083 17.915 19.000 -0.005 0.000 0.819 188 A HN 0.506 nan 8.150 nan 0.000 0.442 189 A N -0.175 122.639 122.820 -0.010 0.000 1.892 189 A HA -0.133 3.328 4.320 -1.432 0.000 0.218 189 A C 2.158 179.742 177.584 -0.000 0.000 1.188 189 A CA 1.915 53.943 52.037 -0.014 0.000 0.631 189 A CB -0.703 18.282 19.000 -0.024 0.000 0.822 189 A HN 0.764 nan 8.150 nan 0.000 0.447 190 L N -0.242 120.985 121.223 0.006 0.000 2.017 190 L HA -0.138 3.343 4.340 -1.432 0.000 0.208 190 L C 2.289 179.182 176.870 0.039 0.000 1.073 190 L CA 2.815 57.665 54.840 0.015 0.000 0.745 190 L CB -0.576 41.492 42.059 0.016 0.000 0.894 190 L HN 0.593 nan 8.230 nan 0.000 0.432 191 E N -0.979 119.248 120.200 0.046 0.000 2.158 191 E HA -0.113 3.377 4.350 -1.432 0.000 0.191 191 E C 2.008 178.681 176.600 0.121 0.000 0.982 191 E CA 0.820 57.265 56.400 0.075 0.000 0.823 191 E CB -0.046 29.685 29.700 0.051 0.000 0.766 191 E HN 0.595 nan 8.360 nan 0.000 0.468 192 L N -0.047 121.222 121.223 0.076 0.000 2.567 192 L HA 0.238 3.719 4.340 -1.432 0.000 0.225 192 L C 2.349 179.329 176.870 0.183 0.000 1.119 192 L CA 0.288 55.191 54.840 0.104 0.000 0.871 192 L CB -0.036 42.026 42.059 0.004 0.000 1.036 192 L HN 0.134 nan 8.230 nan 0.000 0.459 193 A N 1.534 124.420 122.820 0.111 0.000 1.948 193 A HA -0.132 3.328 4.320 -1.432 0.000 0.220 193 A C -0.184 177.459 177.584 0.098 0.000 1.177 193 A CA 1.654 53.734 52.037 0.072 0.000 0.636 193 A CB -1.612 17.398 19.000 0.017 0.000 0.815 193 A HN 0.307 nan 8.150 nan 0.000 0.449 194 P HA -0.034 nan 4.420 nan 0.000 0.237 194 P C 0.053 177.341 177.300 -0.020 0.000 1.178 194 P CA 0.746 63.867 63.100 0.035 0.000 0.766 194 P CB -0.134 31.554 31.700 -0.020 0.000 0.876 195 Y N -1.236 119.077 120.300 0.021 0.000 2.485 195 Y HA 0.422 4.112 4.550 -1.434 0.000 0.260 195 Y C 1.914 177.836 175.900 0.036 0.000 1.173 195 Y CA 0.082 58.199 58.100 0.029 0.000 1.252 195 Y CB -0.517 37.966 38.460 0.039 0.000 1.123 195 Y HN 0.017 nan 8.280 nan 0.000 0.524 196 G N 0.736 109.630 108.800 0.157 0.000 2.159 196 G HA2 -0.305 2.796 3.960 -1.432 0.000 0.256 196 G HA3 -0.305 2.796 3.960 -1.432 0.000 0.256 196 G C 0.051 175.020 174.900 0.114 0.000 0.977 196 G CA 0.082 45.245 45.100 0.105 0.000 0.652 196 G HN 0.317 nan 8.290 nan 0.000 0.531 197 I N 1.354 122.012 120.570 0.147 0.000 2.325 197 I HA 0.402 3.712 4.170 -1.432 0.000 0.291 197 I C 0.988 177.139 176.117 0.056 0.000 1.019 197 I CA -0.651 60.728 61.300 0.133 0.000 1.302 197 I CB 0.898 39.014 38.000 0.193 0.000 1.401 197 I HN 0.017 nan 8.210 nan 0.000 0.485 198 R N 4.769 125.280 120.500 0.019 0.000 2.500 198 R HA 0.735 4.216 4.340 -1.432 0.000 0.277 198 R C -1.101 175.166 176.300 -0.055 0.000 1.026 198 R CA -0.760 55.326 56.100 -0.024 0.000 1.058 198 R CB 1.909 32.187 30.300 -0.037 0.000 1.078 198 R HN 0.343 nan 8.270 nan 0.000 0.509 199 V N 3.176 123.053 119.914 -0.061 0.000 2.569 199 V HA 0.379 3.640 4.120 -1.432 0.000 0.301 199 V C -0.640 175.417 176.094 -0.062 0.000 1.044 199 V CA -0.832 61.420 62.300 -0.079 0.000 0.874 199 V CB 1.641 33.421 31.823 -0.071 0.000 1.002 199 V HN 0.831 nan 8.190 nan 0.000 0.424 200 N N 2.067 120.727 118.700 -0.066 0.000 2.902 200 N HA 0.766 4.647 4.740 -1.432 0.000 0.268 200 N C -0.441 175.043 175.510 -0.044 0.000 1.450 200 N CA -0.407 52.617 53.050 -0.043 0.000 0.819 200 N CB 2.826 41.296 38.487 -0.029 0.000 1.540 200 N HN 0.801 nan 8.380 nan 0.000 0.545 201 G N -0.534 108.250 108.800 -0.026 0.000 2.642 201 G HA2 0.625 3.726 3.960 -1.432 0.000 0.293 201 G HA3 0.625 3.726 3.960 -1.432 0.000 0.293 201 G C -1.578 173.312 174.900 -0.016 0.000 1.341 201 G CA -0.311 44.771 45.100 -0.031 0.000 0.916 201 G HN 0.253 nan 8.290 nan 0.000 0.474 202 V N 0.031 119.931 119.914 -0.023 0.000 2.638 202 V HA 0.741 4.001 4.120 -1.432 0.000 0.306 202 V C -0.102 175.973 176.094 -0.031 0.000 1.052 202 V CA -0.641 61.649 62.300 -0.016 0.000 0.885 202 V CB 1.769 33.586 31.823 -0.011 0.000 0.999 202 V HN 1.287 nan 8.190 nan 0.000 0.424 203 A N 6.842 129.642 122.820 -0.034 0.000 2.536 203 A HA 0.845 4.306 4.320 -1.432 0.000 0.329 203 A C -2.849 174.706 177.584 -0.048 0.000 1.321 203 A CA -1.601 50.409 52.037 -0.045 0.000 0.804 203 A CB 0.759 19.729 19.000 -0.050 0.000 1.126 203 A HN 0.584 nan 8.150 nan 0.000 0.480 204 P HA 0.358 nan 4.420 nan 0.000 0.274 204 P C 0.935 178.183 177.300 -0.085 0.000 1.246 204 P CA 0.225 63.283 63.100 -0.070 0.000 0.795 204 P CB 1.334 32.983 31.700 -0.084 0.000 1.006 205 G N -0.346 108.399 108.800 -0.092 0.000 2.534 205 G HA2 0.196 3.297 3.960 -1.432 0.000 0.220 205 G HA3 0.196 3.297 3.960 -1.432 0.000 0.220 205 G C -0.512 174.279 174.900 -0.182 0.000 1.699 205 G CA 0.195 45.231 45.100 -0.107 0.000 0.769 205 G HN 0.512 nan 8.290 nan 0.000 0.632 206 V N 1.358 121.183 119.914 -0.149 0.000 2.350 206 V HA 0.663 3.924 4.120 -1.432 0.000 0.285 206 V C -0.014 176.004 176.094 -0.127 0.000 1.014 206 V CA -0.048 62.136 62.300 -0.194 0.000 0.831 206 V CB 1.065 32.797 31.823 -0.151 0.000 1.000 206 V HN 0.512 nan 8.190 nan 0.000 0.433 207 S N 6.144 121.756 115.700 -0.147 0.000 3.124 207 S HA 0.585 4.195 4.470 -1.432 0.000 0.234 207 S C -0.326 174.214 174.600 -0.101 0.000 1.045 207 S CA -0.631 57.508 58.200 -0.102 0.000 1.200 207 S CB 0.613 63.755 63.200 -0.096 0.000 1.186 207 S HN 0.555 nan 8.310 nan 0.000 0.617 208 L N 2.429 123.603 121.223 -0.082 0.000 2.640 208 L HA 0.167 3.647 4.340 -1.432 0.000 0.280 208 L C -0.150 176.664 176.870 -0.092 0.000 1.229 208 L CA 0.958 55.758 54.840 -0.067 0.000 0.919 208 L CB -1.054 40.974 42.059 -0.051 0.000 1.168 208 L HN 0.489 nan 8.230 nan 0.000 0.496 209 L N 5.531 126.715 121.223 -0.066 0.000 2.375 209 L HA 0.442 3.923 4.340 -1.432 0.000 0.268 209 L C -1.853 174.999 176.870 -0.029 0.000 1.058 209 L CA -1.992 52.807 54.840 -0.068 0.000 0.803 209 L CB 1.036 43.074 42.059 -0.037 0.000 1.212 209 L HN 0.486 nan 8.230 nan 0.000 0.451 210 P HA -0.054 nan 4.420 nan 0.000 0.264 210 P C 0.928 178.240 177.300 0.019 0.000 1.193 210 P CA -0.244 62.865 63.100 0.015 0.000 0.763 210 P CB 0.534 32.262 31.700 0.047 0.000 0.810 211 V N 2.106 122.029 119.914 0.016 0.000 2.428 211 V HA -0.351 2.909 4.120 -1.432 0.000 0.255 211 V C 2.084 178.192 176.094 0.023 0.000 1.080 211 V CA 2.148 64.458 62.300 0.016 0.000 1.083 211 V CB -2.222 29.608 31.823 0.012 0.000 0.665 211 V HN 0.578 nan 8.190 nan 0.000 0.461 212 A N 0.175 123.013 122.820 0.029 0.000 1.986 212 A HA -0.162 3.299 4.320 -1.432 0.000 0.220 212 A C 1.799 179.408 177.584 0.042 0.000 1.171 212 A CA 1.894 53.952 52.037 0.035 0.000 0.640 212 A CB -0.625 18.401 19.000 0.042 0.000 0.811 212 A HN 0.649 nan 8.150 nan 0.000 0.451 213 M N 1.792 121.421 119.600 0.048 0.000 2.982 213 M HA 0.236 3.857 4.480 -1.432 0.000 0.293 213 M C 0.804 177.137 176.300 0.055 0.000 1.611 213 M CA 0.227 55.565 55.300 0.062 0.000 1.576 213 M CB -1.053 31.588 32.600 0.068 0.000 1.555 213 M HN 0.402 nan 8.290 nan 0.000 0.485 214 G N 3.414 112.244 108.800 0.051 0.000 2.707 214 G HA2 -0.229 2.871 3.960 -1.432 0.000 0.275 214 G HA3 -0.229 2.871 3.960 -1.432 0.000 0.275 214 G C 0.512 175.438 174.900 0.045 0.000 0.494 214 G CA 0.139 45.265 45.100 0.043 0.000 1.110 214 G HN 0.916 nan 8.290 nan 0.000 0.236 215 E N 1.363 121.584 120.200 0.035 0.000 2.267 215 E HA -0.130 3.361 4.350 -1.432 0.000 0.197 215 E C 2.093 178.715 176.600 0.037 0.000 0.998 215 E CA 1.586 58.006 56.400 0.033 0.000 0.830 215 E CB 0.186 29.900 29.700 0.024 0.000 0.751 215 E HN 0.624 nan 8.360 nan 0.000 0.491 216 E N -0.239 119.982 120.200 0.035 0.000 2.340 216 E HA -0.026 3.465 4.350 -1.432 0.000 0.194 216 E C 1.621 178.247 176.600 0.042 0.000 0.996 216 E CA 0.293 56.711 56.400 0.031 0.000 0.869 216 E CB 0.007 29.719 29.700 0.020 0.000 0.835 216 E HN 0.446 nan 8.360 nan 0.000 0.493 217 E N 1.267 121.504 120.200 0.061 0.000 2.085 217 E HA -0.160 3.331 4.350 -1.432 0.000 0.194 217 E C 1.906 178.594 176.600 0.147 0.000 0.994 217 E CA 1.073 57.530 56.400 0.096 0.000 0.801 217 E CB 0.039 29.807 29.700 0.113 0.000 0.743 217 E HN 0.140 nan 8.360 nan 0.000 0.453 218 K N 0.710 121.186 120.400 0.126 0.000 2.009 218 K HA -0.197 3.263 4.320 -1.432 0.000 0.210 218 K C 1.853 178.536 176.600 0.138 0.000 1.049 218 K CA 1.835 58.206 56.287 0.140 0.000 0.929 218 K CB -0.221 32.328 32.500 0.081 0.000 0.714 218 K HN 0.058 nan 8.250 nan 0.000 0.440 219 D N 0.540 120.988 120.400 0.079 0.000 2.182 219 D HA -0.129 3.652 4.640 -1.432 0.000 0.201 219 D C 1.669 177.988 176.300 0.032 0.000 0.986 219 D CA 1.254 55.285 54.000 0.051 0.000 0.847 219 D CB 0.057 40.873 40.800 0.027 0.000 0.942 219 D HN 0.130 nan 8.370 nan 0.000 0.467 220 K N -0.862 119.543 120.400 0.008 0.000 2.103 220 K HA -0.147 3.314 4.320 -1.432 0.000 0.207 220 K C 1.714 178.217 176.600 -0.161 0.000 1.048 220 K CA 1.091 57.319 56.287 -0.098 0.000 0.930 220 K CB -0.134 32.275 32.500 -0.152 0.000 0.716 220 K HN 0.319 nan 8.250 nan 0.000 0.444 221 W N 0.729 122.023 121.300 -0.010 0.000 2.523 221 W HA 0.050 3.851 4.660 -1.432 0.000 0.278 221 W C 2.118 178.624 176.519 -0.022 0.000 1.236 221 W CA 0.092 57.426 57.345 -0.019 0.000 1.306 221 W CB 0.157 29.603 29.460 -0.023 0.000 1.101 221 W HN -0.078 nan 8.180 nan 0.000 0.577 222 R N 0.490 121.106 120.500 0.193 0.000 2.073 222 R HA -0.095 3.385 4.340 -1.432 0.000 0.234 222 R C 1.938 178.275 176.300 0.061 0.000 1.134 222 R CA 1.197 57.360 56.100 0.106 0.000 0.952 222 R CB -0.747 29.595 30.300 0.070 0.000 0.850 222 R HN 0.207 nan 8.270 nan 0.000 0.433 223 R N 0.995 121.515 120.500 0.033 0.000 2.249 223 R HA -0.110 3.370 4.340 -1.432 0.000 0.230 223 R C 1.938 178.234 176.300 -0.007 0.000 1.121 223 R CA 1.199 57.300 56.100 0.002 0.000 0.997 223 R CB -0.005 30.282 30.300 -0.023 0.000 0.867 223 R HN 0.234 nan 8.270 nan 0.000 0.465 224 K N -0.140 120.266 120.400 0.010 0.000 2.305 224 K HA 0.051 3.512 4.320 -1.432 0.000 0.199 224 K C 0.170 176.784 176.600 0.024 0.000 1.047 224 K CA 0.339 56.629 56.287 0.005 0.000 0.976 224 K CB 0.526 33.048 32.500 0.037 0.000 0.765 224 K HN -0.065 nan 8.250 nan 0.000 0.474 225 V N 3.496 123.435 119.914 0.041 0.000 2.439 225 V HA 0.035 3.296 4.120 -1.432 0.000 0.271 225 V C -1.739 174.359 176.094 0.007 0.000 1.040 225 V CA -1.117 61.201 62.300 0.030 0.000 1.002 225 V CB 0.929 32.773 31.823 0.036 0.000 1.000 225 V HN 0.033 nan 8.190 nan 0.000 0.477 226 P HA -0.085 nan 4.420 nan 0.000 0.217 226 P C 0.594 177.889 177.300 -0.008 0.000 1.150 226 P CA 0.497 63.590 63.100 -0.011 0.000 0.832 226 P CB 0.192 31.882 31.700 -0.016 0.000 0.787 227 L N -0.176 121.043 121.223 -0.006 0.000 2.404 227 L HA 0.436 3.916 4.340 -1.432 0.000 0.277 227 L C 1.138 178.005 176.870 -0.005 0.000 1.184 227 L CA 0.528 55.364 54.840 -0.007 0.000 1.013 227 L CB -1.253 40.800 42.059 -0.010 0.000 1.318 227 L HN 0.305 nan 8.230 nan 0.000 0.435 228 G N 2.888 111.686 108.800 -0.004 0.000 2.259 228 G HA2 -0.257 2.844 3.960 -1.432 0.000 0.217 228 G HA3 -0.257 2.844 3.960 -1.432 0.000 0.217 228 G C 0.633 175.535 174.900 0.002 0.000 1.001 228 G CA -0.128 44.971 45.100 -0.002 0.000 0.627 228 G HN 0.563 nan 8.290 nan 0.000 0.501 229 R N -0.067 120.436 120.500 0.005 0.000 3.251 229 R HA -0.210 3.271 4.340 -1.432 0.000 0.249 229 R C 0.436 176.746 176.300 0.017 0.000 0.949 229 R CA 1.685 57.791 56.100 0.011 0.000 0.645 229 R CB -1.855 28.448 30.300 0.005 0.000 1.065 229 R HN 1.017 nan 8.270 nan 0.000 0.452 230 R N -0.302 120.209 120.500 0.017 0.000 2.710 230 R HA 0.266 3.747 4.340 -1.432 0.000 0.270 230 R C -0.229 176.079 176.300 0.013 0.000 1.021 230 R CA -1.226 54.885 56.100 0.018 0.000 0.889 230 R CB 1.096 31.402 30.300 0.009 0.000 1.243 230 R HN 0.117 nan 8.270 nan 0.000 0.464 231 E N 1.835 122.041 120.200 0.010 0.000 2.409 231 E HA 0.286 3.777 4.350 -1.432 0.000 0.257 231 E C -0.542 176.047 176.600 -0.018 0.000 1.150 231 E CA -0.322 56.073 56.400 -0.009 0.000 0.942 231 E CB 0.856 30.544 29.700 -0.021 0.000 0.979 231 E HN 0.614 nan 8.360 nan 0.000 0.447 232 A N 2.056 124.857 122.820 -0.031 0.000 2.407 232 A HA 0.276 3.736 4.320 -1.432 0.000 0.248 232 A C 0.444 178.010 177.584 -0.030 0.000 1.082 232 A CA 0.059 52.078 52.037 -0.030 0.000 0.785 232 A CB 0.086 19.064 19.000 -0.037 0.000 1.020 232 A HN 0.734 nan 8.150 nan 0.000 0.489 233 S N 1.402 117.089 115.700 -0.022 0.000 2.585 233 S HA 0.420 4.031 4.470 -1.432 0.000 0.273 233 S C 1.239 175.826 174.600 -0.022 0.000 1.339 233 S CA -0.105 58.083 58.200 -0.019 0.000 1.028 233 S CB 1.160 64.352 63.200 -0.013 0.000 0.906 233 S HN 1.648 nan 8.310 nan 0.000 0.528 234 A N 1.755 124.562 122.820 -0.021 0.000 1.978 234 A HA -0.079 3.382 4.320 -1.432 0.000 0.220 234 A C 1.968 179.543 177.584 -0.014 0.000 1.170 234 A CA 1.827 53.851 52.037 -0.021 0.000 0.636 234 A CB -1.027 17.962 19.000 -0.017 0.000 0.810 234 A HN 0.904 nan 8.150 nan 0.000 0.448 235 E N -0.160 120.034 120.200 -0.010 0.000 2.106 235 E HA -0.156 3.335 4.350 -1.432 0.000 0.192 235 E C 2.181 178.778 176.600 -0.004 0.000 0.984 235 E CA 1.383 57.781 56.400 -0.004 0.000 0.806 235 E CB -0.299 29.401 29.700 -0.001 0.000 0.750 235 E HN 0.756 nan 8.360 nan 0.000 0.458 236 Q N -0.182 119.613 119.800 -0.010 0.000 2.096 236 Q HA -0.149 3.331 4.340 -1.432 0.000 0.204 236 Q C 2.055 178.047 176.000 -0.013 0.000 0.982 236 Q CA 1.204 57.000 55.803 -0.012 0.000 0.850 236 Q CB -0.162 28.566 28.738 -0.017 0.000 0.901 236 Q HN 0.281 nan 8.270 nan 0.000 0.422 237 I N 0.433 120.993 120.570 -0.017 0.000 2.252 237 I HA -0.260 3.051 4.170 -1.432 0.000 0.245 237 I C 2.302 178.415 176.117 -0.007 0.000 1.102 237 I CA 1.232 62.521 61.300 -0.017 0.000 1.385 237 I CB -0.418 37.566 38.000 -0.027 0.000 1.064 237 I HN 0.134 nan 8.210 nan 0.000 0.414 238 A N 0.135 122.952 122.820 -0.005 0.000 1.933 238 A HA -0.239 3.221 4.320 -1.432 0.000 0.218 238 A C 1.983 179.576 177.584 0.015 0.000 1.175 238 A CA 1.969 54.005 52.037 -0.001 0.000 0.628 238 A CB -0.683 18.316 19.000 -0.002 0.000 0.814 238 A HN 0.364 nan 8.150 nan 0.000 0.444 239 D N 0.264 120.676 120.400 0.019 0.000 2.133 239 D HA -0.154 3.627 4.640 -1.432 0.000 0.195 239 D C 2.199 178.542 176.300 0.071 0.000 0.997 239 D CA 1.722 55.745 54.000 0.037 0.000 0.840 239 D CB -0.413 40.397 40.800 0.017 0.000 0.947 239 D HN 0.457 nan 8.370 nan 0.000 0.452 240 A N 0.479 123.331 122.820 0.054 0.000 1.930 240 A HA -0.102 3.359 4.320 -1.432 0.000 0.217 240 A C 2.568 180.228 177.584 0.127 0.000 1.175 240 A CA 1.080 53.175 52.037 0.096 0.000 0.627 240 A CB -0.646 18.381 19.000 0.044 0.000 0.815 240 A HN 0.142 nan 8.150 nan 0.000 0.443 241 V N 0.879 120.825 119.914 0.055 0.000 2.255 241 V HA -0.287 2.974 4.120 -1.432 0.000 0.247 241 V C 2.461 178.562 176.094 0.012 0.000 1.051 241 V CA 1.922 64.231 62.300 0.016 0.000 1.018 241 V CB -0.735 31.074 31.823 -0.023 0.000 0.641 241 V HN 0.526 nan 8.190 nan 0.000 0.445 242 I N -0.312 120.276 120.570 0.031 0.000 2.163 242 I HA -0.274 3.037 4.170 -1.432 0.000 0.243 242 I C 2.419 178.579 176.117 0.072 0.000 1.085 242 I CA 2.096 63.417 61.300 0.036 0.000 1.347 242 I CB -1.157 36.877 38.000 0.058 0.000 1.044 242 I HN 0.402 nan 8.210 nan 0.000 0.408 243 F N 2.070 122.019 119.950 -0.002 0.000 2.069 243 F HA -0.231 4.305 4.527 0.015 0.000 0.298 243 F C 2.369 178.174 175.800 0.007 0.000 1.113 243 F CA 1.751 59.754 58.000 0.006 0.000 1.214 243 F CB -0.526 38.476 39.000 0.003 0.000 0.978 243 F HN -0.088 nan 8.300 nan 0.000 0.474 244 L N 0.205 121.350 121.223 -0.130 0.000 2.131 244 L HA -0.155 3.325 4.340 -1.432 0.000 0.210 244 L C 2.504 179.250 176.870 -0.207 0.000 1.092 244 L CA 1.166 55.864 54.840 -0.237 0.000 0.759 244 L CB -0.849 41.180 42.059 -0.049 0.000 0.903 244 L HN 0.328 nan 8.230 nan 0.000 0.435 245 V N -3.388 116.447 119.914 -0.131 0.000 2.871 245 V HA 0.004 3.264 4.120 -1.432 0.000 0.256 245 V C 1.572 177.636 176.094 -0.050 0.000 1.082 245 V CA 0.454 62.706 62.300 -0.080 0.000 1.105 245 V CB -0.681 31.093 31.823 -0.082 0.000 0.713 245 V HN 0.426 nan 8.190 nan 0.000 0.473 246 S N 0.952 116.588 115.700 -0.106 0.000 2.596 246 S HA 0.429 4.039 4.470 -1.432 0.000 0.260 246 S C 1.408 175.945 174.600 -0.105 0.000 1.336 246 S CA 0.217 58.372 58.200 -0.075 0.000 0.993 246 S CB 0.880 64.032 63.200 -0.080 0.000 0.923 246 S HN 0.720 nan 8.310 nan 0.000 0.567 247 G N 0.223 108.993 108.800 -0.050 0.000 2.679 247 G HA2 0.002 3.103 3.960 -1.432 0.000 0.212 247 G HA3 0.002 3.103 3.960 -1.432 0.000 0.212 247 G C 1.124 175.995 174.900 -0.049 0.000 1.137 247 G CA 0.322 45.399 45.100 -0.039 0.000 0.787 247 G HN 0.696 nan 8.290 nan 0.000 0.534 248 S N 0.210 115.862 115.700 -0.080 0.000 2.522 248 S HA 0.221 3.831 4.470 -1.432 0.000 0.227 248 S C 1.894 176.396 174.600 -0.163 0.000 0.986 248 S CA 0.577 58.753 58.200 -0.041 0.000 0.929 248 S CB 0.236 63.494 63.200 0.096 0.000 0.769 248 S HN 0.495 nan 8.310 nan 0.000 0.529 249 A N 1.613 124.218 122.820 -0.358 0.000 2.630 249 A HA 0.187 3.647 4.320 -1.432 0.000 0.290 249 A C 1.786 179.290 177.584 -0.132 0.000 1.267 249 A CA -0.492 51.319 52.037 -0.376 0.000 0.950 249 A CB -0.090 18.469 19.000 -0.735 0.000 1.144 249 A HN 0.445 nan 8.150 nan 0.000 0.527 250 Q N -1.039 118.734 119.800 -0.045 0.000 2.234 250 Q HA -0.221 3.260 4.340 -1.432 0.000 0.206 250 Q C 1.143 177.195 176.000 0.086 0.000 0.980 250 Q CA 1.771 57.586 55.803 0.019 0.000 0.869 250 Q CB -0.527 28.237 28.738 0.043 0.000 0.912 250 Q HN 0.690 nan 8.270 nan 0.000 0.436 251 Y N 0.848 121.135 120.300 -0.021 0.000 2.462 251 Y HA 0.356 4.037 4.550 -1.449 0.000 0.261 251 Y C 0.513 176.414 175.900 0.001 0.000 1.146 251 Y CA -0.723 57.377 58.100 -0.002 0.000 1.283 251 Y CB 0.662 39.129 38.460 0.010 0.000 1.090 251 Y HN -0.058 nan 8.280 nan 0.000 0.526 252 I N 1.108 121.703 120.570 0.042 0.000 2.337 252 I HA 0.216 3.527 4.170 -1.432 0.000 0.291 252 I C 0.181 176.269 176.117 -0.049 0.000 1.046 252 I CA 0.094 61.399 61.300 0.009 0.000 1.324 252 I CB 0.916 38.938 38.000 0.037 0.000 1.409 252 I HN -0.065 nan 8.210 nan 0.000 0.494 253 T N 3.379 117.893 114.554 -0.068 0.000 2.894 253 T HA 0.540 4.030 4.350 -1.432 0.000 0.309 253 T C 0.497 175.169 174.700 -0.047 0.000 1.208 253 T CA 0.348 62.410 62.100 -0.063 0.000 1.016 253 T CB 1.592 70.410 68.868 -0.083 0.000 1.192 253 T HN 0.924 nan 8.240 nan 0.000 0.491 254 G N 2.019 110.798 108.800 -0.035 0.000 2.168 254 G HA2 -0.224 2.876 3.960 -1.432 0.000 0.263 254 G HA3 -0.224 2.876 3.960 -1.432 0.000 0.263 254 G C 0.182 175.074 174.900 -0.013 0.000 0.977 254 G CA 0.549 45.634 45.100 -0.024 0.000 0.659 254 G HN 0.998 nan 8.290 nan 0.000 0.533 255 S N -0.261 115.436 115.700 -0.006 0.000 2.578 255 S HA 0.752 4.363 4.470 -1.432 0.000 0.283 255 S C 0.127 174.731 174.600 0.007 0.000 1.195 255 S CA -0.358 57.849 58.200 0.011 0.000 1.050 255 S CB 1.724 64.948 63.200 0.039 0.000 1.012 255 S HN 0.375 nan 8.310 nan 0.000 0.511 256 I N 2.767 123.340 120.570 0.005 0.000 2.447 256 I HA 0.401 3.711 4.170 -1.432 0.000 0.287 256 I C -0.933 175.187 176.117 0.005 0.000 1.023 256 I CA -0.379 60.919 61.300 -0.004 0.000 1.083 256 I CB 1.386 39.372 38.000 -0.024 0.000 1.245 256 I HN 0.445 nan 8.210 nan 0.000 0.434 257 I N 7.211 127.789 120.570 0.013 0.000 2.312 257 I HA 0.232 3.542 4.170 -1.432 0.000 0.290 257 I C 0.185 176.298 176.117 -0.007 0.000 1.008 257 I CA -0.743 60.565 61.300 0.013 0.000 1.226 257 I CB 1.069 39.091 38.000 0.037 0.000 1.371 257 I HN 0.530 nan 8.210 nan 0.000 0.468 258 K N 5.829 126.219 120.400 -0.015 0.000 2.218 258 K HA 0.505 3.965 4.320 -1.432 0.000 0.276 258 K C -0.827 175.758 176.600 -0.026 0.000 1.022 258 K CA -0.568 55.705 56.287 -0.023 0.000 0.946 258 K CB 1.573 34.058 32.500 -0.024 0.000 1.000 258 K HN 0.326 nan 8.250 nan 0.000 0.468 259 V N 3.322 123.218 119.914 -0.030 0.000 2.383 259 V HA 0.051 3.311 4.120 -1.432 0.000 0.261 259 V C -0.683 175.390 176.094 -0.034 0.000 0.987 259 V CA -0.553 61.728 62.300 -0.031 0.000 0.853 259 V CB 0.360 32.165 31.823 -0.030 0.000 1.095 259 V HN 1.075 nan 8.190 nan 0.000 0.461 260 D N 1.506 121.888 120.400 -0.029 0.000 2.525 260 D HA 0.147 3.928 4.640 -1.432 0.000 0.231 260 D C 1.396 177.686 176.300 -0.016 0.000 1.216 260 D CA 0.501 54.485 54.000 -0.027 0.000 0.813 260 D CB 0.747 41.531 40.800 -0.025 0.000 1.108 260 D HN 0.673 nan 8.370 nan 0.000 0.524 261 G N 0.592 109.382 108.800 -0.017 0.000 2.233 261 G HA2 -0.090 3.010 3.960 -1.432 0.000 0.270 261 G HA3 -0.090 3.010 3.960 -1.432 0.000 0.270 261 G C 1.260 176.155 174.900 -0.007 0.000 1.011 261 G CA 0.887 45.980 45.100 -0.012 0.000 0.762 261 G HN 1.465 nan 8.290 nan 0.000 0.511 262 G N -1.946 106.850 108.800 -0.007 0.000 2.176 262 G HA2 -0.133 2.967 3.960 -1.432 0.000 0.232 262 G HA3 -0.133 2.967 3.960 -1.432 0.000 0.232 262 G C 1.132 176.033 174.900 0.002 0.000 0.986 262 G CA 0.952 46.049 45.100 -0.005 0.000 0.643 262 G HN 1.526 nan 8.290 nan 0.000 0.522 263 L N 2.254 123.484 121.223 0.011 0.000 2.083 263 L HA 0.071 3.551 4.340 -1.432 0.000 0.209 263 L C 2.839 179.730 176.870 0.036 0.000 1.083 263 L CA 3.249 58.108 54.840 0.032 0.000 0.752 263 L CB -0.506 41.584 42.059 0.052 0.000 0.899 263 L HN 0.733 nan 8.230 nan 0.000 0.433 264 S N -1.551 114.164 115.700 0.024 0.000 2.515 264 S HA -0.063 3.548 4.470 -1.432 0.000 0.231 264 S C 1.723 176.339 174.600 0.028 0.000 0.987 264 S CA 0.811 59.029 58.200 0.029 0.000 0.936 264 S CB -0.710 62.499 63.200 0.016 0.000 0.766 264 S HN 0.519 nan 8.310 nan 0.000 0.528 265 L N 1.362 122.595 121.223 0.016 0.000 2.591 265 L HA 0.255 3.736 4.340 -1.432 0.000 0.228 265 L C -0.095 176.777 176.870 0.004 0.000 1.133 265 L CA -0.135 54.714 54.840 0.015 0.000 0.880 265 L CB -0.111 41.952 42.059 0.007 0.000 1.033 265 L HN 0.170 nan 8.230 nan 0.000 0.450 266 V N 0.756 120.663 119.914 -0.013 0.000 2.385 266 V HA 0.077 3.338 4.120 -1.432 0.000 0.269 266 V C 0.209 176.270 176.094 -0.056 0.000 1.043 266 V CA -0.850 61.399 62.300 -0.086 0.000 0.906 266 V CB 0.243 32.018 31.823 -0.080 0.000 0.995 266 V HN 0.368 nan 8.190 nan 0.000 0.467 267 H N 3.677 122.756 119.070 0.014 0.000 2.745 267 H HA 0.653 4.349 4.556 -1.432 0.000 0.373 267 H C 0.456 175.787 175.328 0.006 0.000 1.226 267 H CA 0.084 56.139 56.048 0.012 0.000 1.435 267 H CB 0.366 30.133 29.762 0.009 0.000 1.461 267 H HN 0.727 nan 8.280 nan 0.000 0.616 268 A N 0.000 122.973 122.820 0.255 0.000 2.254 268 A HA 0.000 3.461 4.320 -1.432 0.000 0.244 268 A CA 0.000 52.129 52.037 0.153 0.000 0.836 268 A CB 0.000 19.057 19.000 0.095 0.000 0.831 268 A HN 0.000 nan 8.150 nan 0.000 0.486