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 2x1i_1_A DATA FIRST_RESID 4 DATA SEQUENCE PCAYGLLLHP TSLPGPWGVG VLGEEARGFL RFLKEAGARY WQVLPLGPTG DATA SEQUENCE YGDSPYQSFS AFAGNPYLID LRPLVDRGFV RLEDPGFPEG RVDYGLLYAW DATA SEQUENCE KWPALRAAFQ GFRQKASPEE KEDFARFQEE EAWWLRDYAL FMTLKSHHGG DATA SEQUENCE LPWNAWPLAL RTREERALKE AEASLAEEIA FHAFTQWLFF RQWGALKEEA DATA SEQUENCE EALGIAFIGD MPIFVAEDSA EVWAHPEWFH LDEEGRPTVV AGVPPDYFSE DATA SEQUENCE TGQRWGNPLY RWEVLEEEGF SFWIARLRKA LELFHLVRID HFRGFEAYWE DATA SEQUENCE IPASCPTAVE GRWVKAPGEK LFARIQEAFG RIPILAEDLG VITPEVEALR DATA SEQUENCE DRFGLPGMKV LQFAFDNGME NPFLPHNYPE HGRVVVYTGT HDNDTTLGWY DATA SEQUENCE RTATPHERDF LKRYLADWGI TFREEAEVPW ALMRLGMASR ARLAVYPVQD DATA SEQUENCE VLALGSEARM NYPGRPSGNW AWRLRPGEIK EEHGERLLSL AEATGRV 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.335 177.300 0.059 0.000 1.155 4 P CA 0.000 63.140 63.100 0.066 0.000 0.800 4 P CB 0.000 31.746 31.700 0.077 0.000 0.726 5 C N -0.063 119.266 119.300 0.048 0.000 2.543 5 C HA 0.638 5.096 4.460 -0.002 0.000 0.281 5 C C 1.329 176.361 174.990 0.069 0.000 1.276 5 C CA 1.351 60.401 59.018 0.052 0.000 1.700 5 C CB -0.457 27.309 27.740 0.044 0.000 2.093 5 C HN 0.692 nan 8.230 nan 0.000 0.488 6 A N -1.412 121.443 122.820 0.059 0.000 2.534 6 A HA 0.785 5.103 4.320 -0.002 0.000 0.300 6 A C -1.621 176.016 177.584 0.088 0.000 1.223 6 A CA -0.352 51.744 52.037 0.098 0.000 0.666 6 A CB 0.673 19.759 19.000 0.144 0.000 1.316 6 A HN 0.767 nan 8.150 nan 0.000 0.468 7 Y N -1.959 118.317 120.300 -0.040 0.000 2.609 7 Y HA 0.773 5.321 4.550 -0.003 0.000 0.336 7 Y C -0.242 175.633 175.900 -0.043 0.000 1.129 7 Y CA -0.269 57.745 58.100 -0.143 0.000 1.040 7 Y CB 0.816 39.188 38.460 -0.146 0.000 1.310 7 Y HN 1.493 nan 8.280 nan 0.000 0.460 8 G N 1.984 110.624 108.800 -0.266 0.000 2.788 8 G HA2 0.661 4.619 3.960 -0.002 0.000 0.293 8 G HA3 0.661 4.619 3.960 -0.002 0.000 0.293 8 G C -2.291 172.611 174.900 0.004 0.000 1.392 8 G CA -1.291 43.679 45.100 -0.216 0.000 0.810 8 G HN 0.787 nan 8.290 nan 0.000 0.508 9 L N -0.160 121.136 121.223 0.122 0.000 2.354 9 L HA 0.582 4.921 4.340 -0.002 0.000 0.269 9 L C -1.049 176.054 176.870 0.388 0.000 1.005 9 L CA -1.005 53.997 54.840 0.270 0.000 0.819 9 L CB 2.230 44.494 42.059 0.342 0.000 1.311 9 L HN 0.421 nan 8.230 nan 0.000 0.423 10 L N 3.898 125.352 121.223 0.384 0.000 2.265 10 L HA 0.668 5.007 4.340 -0.002 0.000 0.289 10 L C -1.240 175.888 176.870 0.431 0.000 1.033 10 L CA -0.213 54.891 54.840 0.440 0.000 0.814 10 L CB 1.251 43.541 42.059 0.386 0.000 1.203 10 L HN 0.500 nan 8.230 nan 0.000 0.423 11 L N 4.967 126.515 121.223 0.543 0.000 2.661 11 L HA 0.400 4.738 4.340 -0.002 0.000 0.263 11 L C -1.248 175.976 176.870 0.591 0.000 0.956 11 L CA -0.360 54.745 54.840 0.442 0.000 0.918 11 L CB 1.101 43.184 42.059 0.039 0.000 1.280 11 L HN 0.728 nan 8.230 nan 0.000 0.416 12 H N 6.219 125.505 119.070 0.361 0.000 2.764 12 H HA 0.316 4.871 4.556 -0.002 0.000 0.341 12 H C -1.931 173.560 175.328 0.271 0.000 1.072 12 H CA -1.226 54.998 56.048 0.293 0.000 1.444 12 H CB 1.352 31.262 29.762 0.246 0.000 1.458 12 H HN 0.441 nan 8.280 nan 0.000 0.572 13 P HA -0.208 nan 4.420 nan 0.000 0.217 13 P C 1.242 178.517 177.300 -0.042 0.000 1.148 13 P CA 2.425 65.525 63.100 -0.000 0.000 0.834 13 P CB 0.060 31.722 31.700 -0.064 0.000 0.783 14 T N -4.871 109.628 114.554 -0.091 0.000 2.962 14 T HA -0.057 4.292 4.350 -0.002 0.000 0.270 14 T C 1.798 176.470 174.700 -0.046 0.000 1.088 14 T CA 1.335 63.441 62.100 0.010 0.000 1.127 14 T CB -1.091 67.892 68.868 0.193 0.000 0.883 14 T HN -0.023 nan 8.240 nan 0.000 0.493 15 S N 0.810 116.488 115.700 -0.037 0.000 2.522 15 S HA 0.299 4.768 4.470 -0.002 0.000 0.227 15 S C 0.769 175.155 174.600 -0.357 0.000 0.986 15 S CA -0.163 57.885 58.200 -0.254 0.000 0.929 15 S CB -0.541 62.550 63.200 -0.180 0.000 0.769 15 S HN 0.481 nan 8.310 nan 0.000 0.529 16 L N 3.304 124.400 121.223 -0.211 0.000 2.506 16 L HA 0.118 4.456 4.340 -0.002 0.000 0.281 16 L C -1.796 174.942 176.870 -0.220 0.000 1.228 16 L CA -1.322 53.392 54.840 -0.210 0.000 0.850 16 L CB -0.028 41.982 42.059 -0.081 0.000 1.110 16 L HN 0.062 nan 8.230 nan 0.000 0.496 17 P HA 0.420 nan 4.420 nan 0.000 0.277 17 P C -0.335 176.884 177.300 -0.134 0.000 1.271 17 P CA -0.125 62.863 63.100 -0.187 0.000 0.795 17 P CB 1.481 33.084 31.700 -0.162 0.000 1.101 18 G N -0.459 108.258 108.800 -0.138 0.000 2.333 18 G HA2 0.200 4.159 3.960 -0.002 0.000 0.330 18 G HA3 0.200 4.159 3.960 -0.002 0.000 0.330 18 G C -3.275 171.527 174.900 -0.164 0.000 1.465 18 G CA -0.847 44.185 45.100 -0.113 0.000 0.996 18 G HN 0.540 nan 8.290 nan 0.000 0.655 19 P HA 0.398 nan 4.420 nan 0.000 0.276 19 P C -0.245 176.892 177.300 -0.272 0.000 1.261 19 P CA 0.133 62.975 63.100 -0.429 0.000 0.800 19 P CB 0.288 31.556 31.700 -0.720 0.000 1.066 20 W N -0.824 120.417 121.300 -0.100 0.000 3.294 20 W HA -0.087 4.571 4.660 -0.002 0.000 0.333 20 W C 1.222 177.333 176.519 -0.680 0.000 1.285 20 W CA 0.194 57.439 57.345 -0.167 0.000 0.650 20 W CB -2.423 27.069 29.460 0.054 0.000 2.374 20 W HN 0.854 nan 8.180 nan 0.000 1.248 21 G N -1.523 106.697 108.800 -0.967 0.000 2.205 21 G HA2 -0.037 3.921 3.960 -0.002 0.000 0.261 21 G HA3 -0.037 3.921 3.960 -0.002 0.000 0.261 21 G C -0.093 174.334 174.900 -0.789 0.000 0.980 21 G CA 0.248 44.361 45.100 -1.645 0.000 0.632 21 G HN 1.573 nan 8.290 nan 0.000 0.533 22 V N -1.355 118.296 119.914 -0.439 0.000 3.179 22 V HA 0.635 4.754 4.120 -0.002 0.000 0.267 22 V C 0.422 176.422 176.094 -0.157 0.000 1.737 22 V CA 0.264 62.389 62.300 -0.292 0.000 1.003 22 V CB 1.282 32.942 31.823 -0.272 0.000 1.295 22 V HN 1.676 nan 8.190 nan 0.000 0.465 23 G N 2.191 110.914 108.800 -0.128 0.000 2.432 23 G HA2 0.554 4.513 3.960 -0.002 0.000 0.239 23 G HA3 0.554 4.513 3.960 -0.002 0.000 0.239 23 G C -0.240 174.652 174.900 -0.014 0.000 1.291 23 G CA 0.499 45.556 45.100 -0.071 0.000 0.863 23 G HN 1.768 nan 8.290 nan 0.000 0.560 24 V N 0.361 120.285 119.914 0.017 0.000 3.158 24 V HA 0.588 4.706 4.120 -0.002 0.000 0.311 24 V C 0.393 176.510 176.094 0.039 0.000 1.181 24 V CA -1.292 61.030 62.300 0.036 0.000 1.054 24 V CB 1.781 33.632 31.823 0.047 0.000 1.085 24 V HN 0.574 nan 8.190 nan 0.000 0.446 25 L N 2.091 123.318 121.223 0.007 0.000 2.672 25 L HA 0.608 4.947 4.340 -0.002 0.000 0.238 25 L C 0.876 177.721 176.870 -0.043 0.000 1.392 25 L CA 0.596 55.411 54.840 -0.042 0.000 1.238 25 L CB -1.141 40.841 42.059 -0.128 0.000 1.548 25 L HN 1.011 nan 8.230 nan 0.000 0.423 26 G N 0.200 109.007 108.800 0.011 0.000 3.302 26 G HA2 0.175 4.133 3.960 -0.002 0.000 0.170 26 G HA3 0.175 4.133 3.960 -0.002 0.000 0.170 26 G C 0.692 175.617 174.900 0.041 0.000 1.119 26 G CA 0.140 45.250 45.100 0.017 0.000 0.826 26 G HN 0.385 nan 8.290 nan 0.000 0.646 27 E N 0.335 120.562 120.200 0.046 0.000 2.077 27 E HA -0.113 4.236 4.350 -0.002 0.000 0.193 27 E C 1.831 178.470 176.600 0.065 0.000 0.989 27 E CA 1.660 58.091 56.400 0.051 0.000 0.800 27 E CB -0.231 29.496 29.700 0.045 0.000 0.746 27 E HN 0.354 nan 8.360 nan 0.000 0.452 28 E N 1.552 121.787 120.200 0.059 0.000 2.118 28 E HA -0.140 4.209 4.350 -0.002 0.000 0.195 28 E C 2.051 178.720 176.600 0.116 0.000 0.992 28 E CA 1.515 57.950 56.400 0.057 0.000 0.804 28 E CB -0.398 29.312 29.700 0.017 0.000 0.741 28 E HN 0.465 nan 8.360 nan 0.000 0.458 29 A N 0.984 123.899 122.820 0.158 0.000 1.877 29 A HA -0.199 4.119 4.320 -0.002 0.000 0.216 29 A C 2.065 179.844 177.584 0.325 0.000 1.186 29 A CA 1.598 53.826 52.037 0.319 0.000 0.620 29 A CB -0.375 18.793 19.000 0.280 0.000 0.822 29 A HN 0.093 nan 8.150 nan 0.000 0.443 30 R N -0.917 119.695 120.500 0.187 0.000 2.115 30 R HA -0.085 4.254 4.340 -0.002 0.000 0.230 30 R C 2.342 178.716 176.300 0.122 0.000 1.111 30 R CA 0.953 57.138 56.100 0.142 0.000 0.976 30 R CB -0.537 29.808 30.300 0.076 0.000 0.870 30 R HN 0.546 nan 8.270 nan 0.000 0.445 31 G N 0.609 109.481 108.800 0.120 0.000 2.418 31 G HA2 -0.289 3.669 3.960 -0.002 0.000 0.217 31 G HA3 -0.289 3.669 3.960 -0.002 0.000 0.217 31 G C 1.168 176.150 174.900 0.137 0.000 1.158 31 G CA 0.232 45.396 45.100 0.106 0.000 0.771 31 G HN 0.244 nan 8.290 nan 0.000 0.545 32 F N 1.181 121.103 119.950 -0.047 0.000 2.216 32 F HA 0.094 4.620 4.527 -0.002 0.000 0.300 32 F C 2.364 178.090 175.800 -0.123 0.000 1.085 32 F CA 0.677 58.579 58.000 -0.163 0.000 1.326 32 F CB -0.162 38.572 39.000 -0.444 0.000 1.027 32 F HN 0.039 nan 8.300 nan 0.000 0.497 33 L N -0.396 120.786 121.223 -0.068 0.000 2.017 33 L HA -0.223 4.116 4.340 -0.002 0.000 0.208 33 L C 2.743 179.535 176.870 -0.131 0.000 1.073 33 L CA 1.416 56.193 54.840 -0.105 0.000 0.745 33 L CB -0.557 41.538 42.059 0.061 0.000 0.894 33 L HN 0.006 nan 8.230 nan 0.000 0.432 34 R N -0.864 119.611 120.500 -0.041 0.000 2.083 34 R HA -0.220 4.118 4.340 -0.002 0.000 0.237 34 R C 2.282 178.549 176.300 -0.055 0.000 1.137 34 R CA 1.873 57.953 56.100 -0.035 0.000 0.951 34 R CB -0.575 29.735 30.300 0.017 0.000 0.851 34 R HN 0.197 nan 8.270 nan 0.000 0.434 35 F N 1.520 121.369 119.950 -0.169 0.000 2.065 35 F HA -0.287 4.239 4.527 -0.002 0.000 0.298 35 F C 1.985 177.634 175.800 -0.251 0.000 1.112 35 F CA 1.475 59.374 58.000 -0.170 0.000 1.212 35 F CB -0.460 38.442 39.000 -0.162 0.000 0.975 35 F HN -0.092 nan 8.300 nan 0.000 0.476 36 L N 0.932 121.915 121.223 -0.401 0.000 1.990 36 L HA -0.246 4.093 4.340 -0.002 0.000 0.213 36 L C 2.511 179.156 176.870 -0.376 0.000 1.072 36 L CA 2.369 56.911 54.840 -0.497 0.000 0.755 36 L CB -1.331 40.382 42.059 -0.576 0.000 0.889 36 L HN 0.227 nan 8.230 nan 0.000 0.432 37 K N 0.433 120.664 120.400 -0.281 0.000 2.001 37 K HA -0.222 4.097 4.320 -0.002 0.000 0.214 37 K C 1.897 178.384 176.600 -0.188 0.000 1.050 37 K CA 2.104 58.267 56.287 -0.207 0.000 0.934 37 K CB -0.574 31.836 32.500 -0.149 0.000 0.718 37 K HN 0.429 nan 8.250 nan 0.000 0.443 38 E N -0.715 119.371 120.200 -0.190 0.000 2.401 38 E HA -0.089 4.260 4.350 -0.002 0.000 0.199 38 E C 1.291 177.769 176.600 -0.203 0.000 1.023 38 E CA 0.772 57.074 56.400 -0.163 0.000 0.859 38 E CB -0.072 29.550 29.700 -0.130 0.000 0.780 38 E HN 0.497 nan 8.360 nan 0.000 0.523 39 A N -0.148 122.485 122.820 -0.311 0.000 2.275 39 A HA 0.344 4.663 4.320 -0.002 0.000 0.212 39 A C 1.721 179.291 177.584 -0.024 0.000 1.201 39 A CA 0.642 52.524 52.037 -0.258 0.000 0.843 39 A CB -0.026 18.657 19.000 -0.528 0.000 0.873 39 A HN 0.303 nan 8.150 nan 0.000 0.492 40 G N -1.536 107.227 108.800 -0.061 0.000 2.199 40 G HA2 0.031 3.990 3.960 -0.002 0.000 0.254 40 G HA3 0.031 3.990 3.960 -0.002 0.000 0.254 40 G C 0.573 175.415 174.900 -0.096 0.000 0.982 40 G CA 0.301 45.416 45.100 0.024 0.000 0.632 40 G HN 1.619 nan 8.290 nan 0.000 0.529 41 A N -0.244 122.372 122.820 -0.339 0.000 2.445 41 A HA 0.724 5.043 4.320 -0.002 0.000 0.242 41 A C 1.131 178.448 177.584 -0.446 0.000 1.075 41 A CA 0.964 52.530 52.037 -0.785 0.000 0.777 41 A CB 0.273 18.866 19.000 -0.679 0.000 1.013 41 A HN 0.482 nan 8.150 nan 0.000 0.493 42 R N -0.358 119.913 120.500 -0.381 0.000 2.531 42 R HA 0.221 4.560 4.340 -0.002 0.000 0.316 42 R C -1.385 174.624 176.300 -0.486 0.000 0.955 42 R CA 0.197 56.099 56.100 -0.329 0.000 1.120 42 R CB 0.541 30.702 30.300 -0.232 0.000 1.361 42 R HN 0.759 nan 8.270 nan 0.000 0.534 43 Y N -1.176 118.978 120.300 -0.243 0.000 2.534 43 Y HA 0.340 4.889 4.550 -0.003 0.000 0.345 43 Y C -1.049 174.873 175.900 0.036 0.000 1.031 43 Y CA -1.284 56.755 58.100 -0.102 0.000 1.022 43 Y CB 1.710 40.127 38.460 -0.071 0.000 1.292 43 Y HN -0.032 nan 8.280 nan 0.000 0.459 44 W N 5.192 126.529 121.300 0.062 0.000 2.543 44 W HA 0.473 5.132 4.660 -0.003 0.000 0.318 44 W C -1.407 175.352 176.519 0.401 0.000 1.002 44 W CA -1.355 56.108 57.345 0.197 0.000 1.302 44 W CB 1.430 30.935 29.460 0.075 0.000 1.299 44 W HN 0.641 nan 8.180 nan 0.000 0.424 45 Q N 4.103 124.356 119.800 0.755 0.000 2.235 45 Q HA 0.604 4.943 4.340 -0.002 0.000 0.250 45 Q C -0.491 175.823 176.000 0.523 0.000 0.909 45 Q CA -0.260 55.853 55.803 0.516 0.000 0.910 45 Q CB 1.800 30.777 28.738 0.398 0.000 1.223 45 Q HN 0.416 nan 8.270 nan 0.000 0.432 46 V N 0.921 121.007 119.914 0.286 0.000 3.141 46 V HA 0.622 4.741 4.120 -0.002 0.000 0.312 46 V C -0.684 175.481 176.094 0.118 0.000 1.157 46 V CA -1.124 61.339 62.300 0.272 0.000 1.041 46 V CB 1.429 33.345 31.823 0.155 0.000 1.071 46 V HN 0.796 nan 8.190 nan 0.000 0.441 47 L N 0.369 121.714 121.223 0.203 0.000 2.448 47 L HA 0.577 4.915 4.340 -0.002 0.000 0.258 47 L C -2.277 174.447 176.870 -0.243 0.000 1.104 47 L CA -2.030 52.672 54.840 -0.230 0.000 0.800 47 L CB 0.975 42.609 42.059 -0.708 0.000 1.241 47 L HN 0.419 nan 8.230 nan 0.000 0.472 48 P HA -0.041 nan 4.420 nan 0.000 0.263 48 P C 0.020 177.180 177.300 -0.233 0.000 1.175 48 P CA 0.504 63.353 63.100 -0.419 0.000 0.761 48 P CB 0.314 31.630 31.700 -0.640 0.000 0.794 49 L N 1.698 122.807 121.223 -0.190 0.000 2.741 49 L HA 0.263 4.601 4.340 -0.002 0.000 0.237 49 L C 1.396 178.032 176.870 -0.390 0.000 1.178 49 L CA -0.157 54.554 54.840 -0.214 0.000 0.973 49 L CB -0.304 41.624 42.059 -0.219 0.000 1.255 49 L HN 0.455 nan 8.230 nan 0.000 0.498 50 G N 0.808 109.392 108.800 -0.361 0.000 2.562 50 G HA2 0.346 4.304 3.960 -0.002 0.000 0.275 50 G HA3 0.346 4.304 3.960 -0.002 0.000 0.275 50 G C -2.485 172.232 174.900 -0.305 0.000 1.196 50 G CA -0.989 43.882 45.100 -0.383 0.000 0.908 50 G HN -0.121 nan 8.290 nan 0.000 0.524 51 P HA 0.129 nan 4.420 nan 0.000 0.268 51 P C 0.128 177.371 177.300 -0.095 0.000 1.205 51 P CA 0.194 63.258 63.100 -0.060 0.000 0.771 51 P CB 0.842 32.686 31.700 0.239 0.000 0.858 52 T N -0.148 114.329 114.554 -0.129 0.000 2.940 52 T HA 0.728 5.077 4.350 -0.002 0.000 0.288 52 T C 0.464 174.981 174.700 -0.305 0.000 1.033 52 T CA -0.657 61.279 62.100 -0.273 0.000 1.033 52 T CB 1.839 70.568 68.868 -0.231 0.000 1.079 52 T HN 0.453 nan 8.240 nan 0.000 0.496 53 G N -0.299 108.172 108.800 -0.548 0.000 3.135 53 G HA2 0.462 4.421 3.960 -0.002 0.000 0.159 53 G HA3 0.462 4.421 3.960 -0.002 0.000 0.159 53 G C -1.171 173.699 174.900 -0.051 0.000 1.244 53 G CA -1.065 43.819 45.100 -0.360 0.000 0.965 53 G HN 0.778 nan 8.290 nan 0.000 0.599 54 Y N 0.819 121.090 120.300 -0.048 0.000 2.717 54 Y HA 0.318 4.867 4.550 -0.002 0.000 0.330 54 Y C 1.447 177.326 175.900 -0.035 0.000 1.217 54 Y CA 1.760 59.852 58.100 -0.014 0.000 1.506 54 Y CB 0.650 39.121 38.460 0.018 0.000 1.268 54 Y HN 1.132 nan 8.280 nan 0.000 0.561 55 G N 3.225 111.701 108.800 -0.541 0.000 2.258 55 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.233 55 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.233 55 G C 0.323 175.115 174.900 -0.180 0.000 1.006 55 G CA 0.090 45.009 45.100 -0.302 0.000 0.620 55 G HN 0.847 nan 8.290 nan 0.000 0.511 56 D N -0.412 119.813 120.400 -0.291 0.000 3.059 56 D HA -0.184 4.455 4.640 -0.002 0.000 0.220 56 D C 0.565 176.530 176.300 -0.558 0.000 1.169 56 D CA 1.636 55.362 54.000 -0.457 0.000 0.902 56 D CB -1.683 38.545 40.800 -0.953 0.000 1.116 56 D HN 1.119 nan 8.370 nan 0.000 0.417 57 S N 0.426 115.802 115.700 -0.540 0.000 2.531 57 S HA 0.290 4.759 4.470 -0.002 0.000 0.279 57 S C -1.424 172.672 174.600 -0.841 0.000 1.305 57 S CA -1.062 56.543 58.200 -0.993 0.000 1.058 57 S CB 1.631 64.611 63.200 -0.366 0.000 0.899 57 S HN -0.188 nan 8.310 nan 0.000 0.493 58 P HA 0.029 nan 4.420 nan 0.000 0.226 58 P C -0.046 176.765 177.300 -0.815 0.000 1.153 58 P CA 0.887 63.473 63.100 -0.857 0.000 0.777 58 P CB 0.009 31.089 31.700 -1.033 0.000 0.794 59 Y N -1.016 118.971 120.300 -0.521 0.000 2.490 59 Y HA 0.100 4.649 4.550 -0.003 0.000 0.281 59 Y C 1.027 176.792 175.900 -0.225 0.000 1.174 59 Y CA 0.402 58.317 58.100 -0.308 0.000 1.295 59 Y CB -0.045 38.270 38.460 -0.242 0.000 1.062 59 Y HN -0.081 nan 8.280 nan 0.000 0.522 60 Q N 0.070 119.760 119.800 -0.183 0.000 2.831 60 Q HA 0.216 4.555 4.340 -0.002 0.000 0.366 60 Q C -0.304 175.546 176.000 -0.250 0.000 0.899 60 Q CA -0.230 55.483 55.803 -0.151 0.000 0.987 60 Q CB 1.297 29.964 28.738 -0.119 0.000 1.382 60 Q HN 0.086 nan 8.270 nan 0.000 0.403 61 S N -0.404 115.160 115.700 -0.228 0.000 2.592 61 S HA 0.372 4.841 4.470 -0.002 0.000 0.271 61 S C 0.683 175.225 174.600 -0.097 0.000 1.326 61 S CA -0.375 57.687 58.200 -0.230 0.000 1.024 61 S CB 0.405 63.481 63.200 -0.206 0.000 0.921 61 S HN 0.484 nan 8.310 nan 0.000 0.527 62 F N 2.006 121.993 119.950 0.062 0.000 2.699 62 F HA 0.153 4.679 4.527 -0.002 0.000 0.298 62 F C 1.414 177.241 175.800 0.046 0.000 1.154 62 F CA 0.085 58.179 58.000 0.157 0.000 1.457 62 F CB 0.363 39.608 39.000 0.408 0.000 1.106 62 F HN 0.464 nan 8.300 nan 0.000 0.585 63 S N -1.020 114.769 115.700 0.148 0.000 2.548 63 S HA 0.571 5.039 4.470 -0.002 0.000 0.278 63 S C 0.129 174.671 174.600 -0.096 0.000 1.150 63 S CA -0.307 57.925 58.200 0.054 0.000 0.907 63 S CB 1.350 64.592 63.200 0.070 0.000 1.108 63 S HN 0.035 nan 8.310 nan 0.000 0.459 64 A N 3.028 125.781 122.820 -0.111 0.000 2.238 64 A HA 0.372 4.691 4.320 -0.002 0.000 0.208 64 A C 0.623 177.782 177.584 -0.708 0.000 1.177 64 A CA 0.546 52.365 52.037 -0.363 0.000 0.804 64 A CB -0.530 18.267 19.000 -0.338 0.000 0.823 64 A HN 0.753 nan 8.150 nan 0.000 0.482 65 F N -1.056 118.680 119.950 -0.356 0.000 2.640 65 F HA 0.433 4.958 4.527 -0.002 0.000 0.285 65 F C 1.621 176.900 175.800 -0.868 0.000 1.031 65 F CA 0.057 57.626 58.000 -0.718 0.000 1.240 65 F CB -0.232 38.072 39.000 -1.160 0.000 1.011 65 F HN 0.122 nan 8.300 nan 0.000 0.656 66 A N 0.889 123.359 122.820 -0.584 0.000 2.455 66 A HA 0.448 4.767 4.320 -0.002 0.000 0.244 66 A C 0.632 177.931 177.584 -0.474 0.000 1.099 66 A CA 0.609 52.325 52.037 -0.534 0.000 0.786 66 A CB -0.613 17.767 19.000 -1.033 0.000 1.051 66 A HN 0.313 nan 8.150 nan 0.000 0.508 67 G N 0.032 108.453 108.800 -0.631 0.000 2.452 67 G HA2 0.432 4.390 3.960 -0.002 0.000 0.324 67 G HA3 0.432 4.390 3.960 -0.002 0.000 0.324 67 G C -0.350 173.793 174.900 -1.262 0.000 1.214 67 G CA -0.640 43.476 45.100 -1.640 0.000 0.947 67 G HN 0.728 nan 8.290 nan 0.000 0.478 68 N N 2.212 120.193 118.700 -1.198 0.000 2.416 68 N HA 0.120 4.858 4.740 -0.002 0.000 0.271 68 N C -1.344 173.929 175.510 -0.394 0.000 1.245 68 N CA -1.799 50.916 53.050 -0.560 0.000 0.940 68 N CB 1.653 39.948 38.487 -0.319 0.000 1.175 68 N HN 0.046 nan 8.380 nan 0.000 0.483 69 P HA -0.141 nan 4.420 nan 0.000 0.216 69 P C 0.816 178.038 177.300 -0.130 0.000 1.150 69 P CA 1.316 64.259 63.100 -0.262 0.000 0.837 69 P CB -0.057 31.366 31.700 -0.462 0.000 0.786 70 Y N -0.948 119.251 120.300 -0.169 0.000 2.365 70 Y HA -0.156 4.393 4.550 -0.002 0.000 0.287 70 Y C 1.887 177.770 175.900 -0.029 0.000 1.162 70 Y CA 0.023 58.069 58.100 -0.089 0.000 1.260 70 Y CB -0.637 37.834 38.460 0.019 0.000 0.976 70 Y HN -0.050 nan 8.280 nan 0.000 0.548 71 L N 0.071 121.387 121.223 0.155 0.000 2.591 71 L HA 0.045 4.384 4.340 -0.002 0.000 0.228 71 L C 0.384 177.312 176.870 0.097 0.000 1.133 71 L CA -0.023 54.900 54.840 0.139 0.000 0.880 71 L CB -0.091 42.095 42.059 0.212 0.000 1.033 71 L HN 0.134 nan 8.230 nan 0.000 0.450 72 I N 0.801 121.413 120.570 0.069 0.000 2.533 72 I HA -0.055 4.114 4.170 -0.002 0.000 0.284 72 I C 0.334 176.450 176.117 -0.001 0.000 1.109 72 I CA -0.008 61.288 61.300 -0.006 0.000 1.412 72 I CB 0.411 38.374 38.000 -0.062 0.000 1.396 72 I HN -0.037 nan 8.210 nan 0.000 0.543 73 D N 6.940 127.328 120.400 -0.020 0.000 2.336 73 D HA 0.126 4.765 4.640 -0.002 0.000 0.249 73 D C 0.865 177.164 176.300 -0.002 0.000 1.213 73 D CA 0.020 54.029 54.000 0.014 0.000 0.870 73 D CB 0.929 41.735 40.800 0.010 0.000 1.076 73 D HN 0.404 nan 8.370 nan 0.000 0.483 74 L N 3.531 124.752 121.223 -0.003 0.000 2.275 74 L HA -0.060 4.279 4.340 -0.002 0.000 0.215 74 L C 2.441 179.284 176.870 -0.045 0.000 1.119 74 L CA 0.487 55.294 54.840 -0.055 0.000 0.790 74 L CB -0.164 41.800 42.059 -0.159 0.000 0.919 74 L HN 0.359 nan 8.230 nan 0.000 0.443 75 R N 0.221 120.723 120.500 0.003 0.000 2.096 75 R HA -0.194 4.145 4.340 -0.002 0.000 0.240 75 R C -0.260 176.066 176.300 0.043 0.000 1.139 75 R CA 1.856 57.988 56.100 0.054 0.000 0.952 75 R CB -1.580 28.801 30.300 0.134 0.000 0.854 75 R HN 0.315 nan 8.270 nan 0.000 0.436 76 P HA -0.150 nan 4.420 nan 0.000 0.216 76 P C 0.946 178.287 177.300 0.068 0.000 1.150 76 P CA 1.266 64.389 63.100 0.039 0.000 0.837 76 P CB -0.017 31.695 31.700 0.019 0.000 0.786 77 L N -1.656 119.635 121.223 0.112 0.000 2.201 77 L HA -0.083 4.256 4.340 -0.002 0.000 0.212 77 L C 2.383 179.324 176.870 0.119 0.000 1.105 77 L CA 0.843 55.834 54.840 0.252 0.000 0.775 77 L CB -0.863 41.370 42.059 0.290 0.000 0.913 77 L HN -0.085 nan 8.230 nan 0.000 0.440 78 V N -0.091 119.846 119.914 0.037 0.000 2.488 78 V HA -0.197 3.922 4.120 -0.002 0.000 0.246 78 V C 1.847 177.922 176.094 -0.033 0.000 1.046 78 V CA 1.696 63.996 62.300 0.000 0.000 1.053 78 V CB -0.175 31.645 31.823 -0.006 0.000 0.679 78 V HN 0.419 nan 8.190 nan 0.000 0.458 79 D N -0.225 120.159 120.400 -0.028 0.000 2.350 79 D HA -0.073 4.566 4.640 -0.002 0.000 0.216 79 D C 2.011 178.234 176.300 -0.127 0.000 0.968 79 D CA 0.757 54.730 54.000 -0.045 0.000 0.894 79 D CB -0.080 40.712 40.800 -0.013 0.000 0.909 79 D HN 0.452 nan 8.370 nan 0.000 0.520 80 R N -0.612 119.735 120.500 -0.255 0.000 2.362 80 R HA 0.191 4.529 4.340 -0.002 0.000 0.227 80 R C 1.168 177.075 176.300 -0.656 0.000 0.905 80 R CA 0.456 56.231 56.100 -0.541 0.000 1.067 80 R CB 0.891 30.623 30.300 -0.945 0.000 1.078 80 R HN 0.083 nan 8.270 nan 0.000 0.516 81 G N 1.020 109.605 108.800 -0.358 0.000 2.143 81 G HA2 -0.276 3.682 3.960 -0.002 0.000 0.249 81 G HA3 -0.276 3.682 3.960 -0.002 0.000 0.249 81 G C 0.470 175.325 174.900 -0.076 0.000 0.981 81 G CA 0.063 45.048 45.100 -0.192 0.000 0.665 81 G HN 0.261 nan 8.290 nan 0.000 0.528 82 F N -0.458 119.533 119.950 0.068 0.000 2.325 82 F HA 0.497 5.022 4.527 -0.002 0.000 0.299 82 F C 1.544 177.371 175.800 0.045 0.000 1.090 82 F CA 0.661 58.709 58.000 0.081 0.000 1.392 82 F CB -0.046 39.061 39.000 0.177 0.000 1.053 82 F HN 0.292 nan 8.300 nan 0.000 0.521 83 V N -0.677 119.346 119.914 0.182 0.000 3.178 83 V HA 0.490 4.609 4.120 -0.002 0.000 0.302 83 V C -1.333 174.775 176.094 0.022 0.000 1.262 83 V CA -1.020 61.328 62.300 0.080 0.000 1.030 83 V CB 2.625 34.482 31.823 0.056 0.000 1.074 83 V HN 0.020 nan 8.190 nan 0.000 0.438 84 R N 4.441 124.942 120.500 0.002 0.000 2.439 84 R HA 0.607 4.946 4.340 -0.002 0.000 0.310 84 R C -1.845 174.454 176.300 -0.000 0.000 0.955 84 R CA -0.538 55.569 56.100 0.011 0.000 0.853 84 R CB 1.371 31.690 30.300 0.031 0.000 1.171 84 R HN 0.752 nan 8.270 nan 0.000 0.449 85 L N 3.314 124.531 121.223 -0.010 0.000 2.322 85 L HA 0.523 4.862 4.340 -0.002 0.000 0.279 85 L C 0.049 177.086 176.870 0.278 0.000 1.036 85 L CA -0.598 54.241 54.840 -0.002 0.000 0.807 85 L CB 1.716 43.469 42.059 -0.509 0.000 1.226 85 L HN 0.498 nan 8.230 nan 0.000 0.433 86 E N 1.578 122.049 120.200 0.453 0.000 2.241 86 E HA 0.146 4.495 4.350 -0.002 0.000 0.263 86 E C -1.439 175.510 176.600 0.582 0.000 0.882 86 E CA -0.684 56.002 56.400 0.476 0.000 0.769 86 E CB 2.465 32.339 29.700 0.289 0.000 1.185 86 E HN 0.474 nan 8.360 nan 0.000 0.415 87 D N 4.245 124.898 120.400 0.420 0.000 2.417 87 D HA 0.037 4.675 4.640 -0.002 0.000 0.250 87 D C -1.321 174.846 176.300 -0.222 0.000 1.166 87 D CA -1.138 52.873 54.000 0.019 0.000 0.881 87 D CB 1.158 41.854 40.800 -0.174 0.000 1.164 87 D HN 0.244 nan 8.370 nan 0.000 0.467 88 P HA 0.139 nan 4.420 nan 0.000 0.249 88 P C 0.428 177.452 177.300 -0.459 0.000 1.229 88 P CA 0.159 62.954 63.100 -0.507 0.000 0.788 88 P CB 0.496 31.763 31.700 -0.722 0.000 1.072 89 G N -0.108 108.412 108.800 -0.467 0.000 2.309 89 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.183 89 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.183 89 G C -0.304 174.440 174.900 -0.260 0.000 1.063 89 G CA -0.835 44.094 45.100 -0.285 0.000 0.768 89 G HN 0.205 nan 8.290 nan 0.000 0.490 90 F N 1.327 121.146 119.950 -0.219 0.000 2.563 90 F HA 0.366 4.892 4.527 -0.002 0.000 0.363 90 F C 0.129 175.830 175.800 -0.166 0.000 1.123 90 F CA -0.884 56.994 58.000 -0.204 0.000 1.307 90 F CB 0.590 39.434 39.000 -0.259 0.000 1.115 90 F HN 0.125 nan 8.300 nan 0.000 0.592 91 P HA 0.186 nan 4.420 nan 0.000 0.293 91 P C -1.408 175.866 177.300 -0.043 0.000 1.304 91 P CA -0.513 62.589 63.100 0.002 0.000 0.767 91 P CB 0.968 32.670 31.700 0.003 0.000 1.247 92 E N -2.135 118.029 120.200 -0.059 0.000 2.256 92 E HA 0.454 4.802 4.350 -0.002 0.000 0.267 92 E C 0.296 176.840 176.600 -0.093 0.000 0.892 92 E CA -0.359 55.987 56.400 -0.091 0.000 0.775 92 E CB 0.893 30.546 29.700 -0.078 0.000 1.207 92 E HN 0.754 nan 8.360 nan 0.000 0.420 93 G N 3.276 111.989 108.800 -0.145 0.000 2.179 93 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.260 93 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.260 93 G C -0.023 174.769 174.900 -0.179 0.000 0.977 93 G CA 0.865 45.868 45.100 -0.162 0.000 0.641 93 G HN 0.636 nan 8.290 nan 0.000 0.533 94 R N -1.615 118.791 120.500 -0.156 0.000 2.663 94 R HA 0.662 5.001 4.340 -0.002 0.000 0.267 94 R C -1.279 174.918 176.300 -0.170 0.000 1.038 94 R CA -0.903 55.125 56.100 -0.120 0.000 0.886 94 R CB 1.275 31.561 30.300 -0.022 0.000 1.249 94 R HN 0.291 nan 8.270 nan 0.000 0.463 95 V N 1.670 121.458 119.914 -0.210 0.000 2.465 95 V HA 0.173 4.292 4.120 -0.002 0.000 0.279 95 V C -0.306 175.590 176.094 -0.329 0.000 1.045 95 V CA -0.314 61.751 62.300 -0.393 0.000 0.938 95 V CB 1.376 32.776 31.823 -0.706 0.000 0.986 95 V HN 0.737 nan 8.190 nan 0.000 0.467 96 D N 3.462 123.726 120.400 -0.226 0.000 2.499 96 D HA 0.200 4.838 4.640 -0.002 0.000 0.225 96 D C 0.645 176.931 176.300 -0.023 0.000 1.124 96 D CA -0.239 53.743 54.000 -0.030 0.000 0.938 96 D CB 0.453 41.319 40.800 0.111 0.000 1.014 96 D HN 0.525 nan 8.370 nan 0.000 0.517 97 Y N 1.831 122.188 120.300 0.094 0.000 2.165 97 Y HA -0.148 4.400 4.550 -0.002 0.000 0.286 97 Y C 2.500 178.516 175.900 0.192 0.000 1.155 97 Y CA 1.429 59.589 58.100 0.100 0.000 1.164 97 Y CB 0.000 38.530 38.460 0.116 0.000 0.978 97 Y HN 0.493 nan 8.280 nan 0.000 0.513 98 G N -0.159 108.842 108.800 0.335 0.000 2.446 98 G HA2 -0.287 3.671 3.960 -0.002 0.000 0.217 98 G HA3 -0.287 3.671 3.960 -0.002 0.000 0.217 98 G C 1.567 176.686 174.900 0.365 0.000 1.168 98 G CA 1.169 46.462 45.100 0.322 0.000 0.771 98 G HN 0.319 nan 8.290 nan 0.000 0.551 99 L N -0.040 121.362 121.223 0.298 0.000 2.093 99 L HA 0.165 4.504 4.340 -0.002 0.000 0.208 99 L C 2.498 179.642 176.870 0.457 0.000 1.085 99 L CA 1.240 56.258 54.840 0.297 0.000 0.755 99 L CB -0.525 41.646 42.059 0.187 0.000 0.904 99 L HN 0.182 nan 8.230 nan 0.000 0.435 100 L N -1.454 120.042 121.223 0.455 0.000 2.131 100 L HA -0.235 4.103 4.340 -0.002 0.000 0.210 100 L C 2.322 179.385 176.870 0.322 0.000 1.092 100 L CA 1.847 56.891 54.840 0.340 0.000 0.759 100 L CB -0.894 41.066 42.059 -0.165 0.000 0.903 100 L HN 0.495 nan 8.230 nan 0.000 0.435 101 Y N -0.092 120.396 120.300 0.314 0.000 2.184 101 Y HA -0.098 4.451 4.550 -0.002 0.000 0.290 101 Y C 2.369 178.611 175.900 0.570 0.000 1.129 101 Y CA 1.693 60.131 58.100 0.563 0.000 1.144 101 Y CB -0.575 38.230 38.460 0.575 0.000 0.995 101 Y HN 0.167 nan 8.280 nan 0.000 0.513 102 A N -0.835 122.244 122.820 0.433 0.000 2.019 102 A HA -0.198 4.120 4.320 -0.002 0.000 0.219 102 A C 1.975 179.719 177.584 0.266 0.000 1.164 102 A CA 1.692 53.891 52.037 0.270 0.000 0.644 102 A CB -1.292 17.899 19.000 0.317 0.000 0.805 102 A HN 0.832 nan 8.150 nan 0.000 0.449 103 W N -0.222 121.175 121.300 0.162 0.000 2.726 103 W HA 0.154 4.813 4.660 -0.002 0.000 0.285 103 W C 2.125 178.745 176.519 0.167 0.000 1.110 103 W CA 1.203 58.637 57.345 0.148 0.000 1.579 103 W CB 0.048 29.598 29.460 0.150 0.000 1.118 103 W HN 0.132 nan 8.180 nan 0.000 0.556 104 K N -0.522 120.116 120.400 0.397 0.000 2.147 104 K HA -0.200 4.119 4.320 -0.002 0.000 0.205 104 K C 1.790 178.366 176.600 -0.041 0.000 1.049 104 K CA 1.971 58.304 56.287 0.077 0.000 0.936 104 K CB -0.557 32.063 32.500 0.200 0.000 0.722 104 K HN 0.229 nan 8.250 nan 0.000 0.446 105 W N 0.455 121.813 121.300 0.097 0.000 2.378 105 W HA -0.073 4.585 4.660 -0.002 0.000 0.313 105 W C -0.859 175.635 176.519 -0.041 0.000 1.197 105 W CA 0.446 57.851 57.345 0.100 0.000 1.304 105 W CB -0.970 28.500 29.460 0.017 0.000 1.148 105 W HN 0.145 nan 8.180 nan 0.000 0.494 106 P HA -0.171 nan 4.420 nan 0.000 0.218 106 P C 1.339 178.523 177.300 -0.192 0.000 1.149 106 P CA 2.596 65.641 63.100 -0.093 0.000 0.817 106 P CB -0.322 31.307 31.700 -0.118 0.000 0.785 107 A N -0.614 121.999 122.820 -0.345 0.000 1.877 107 A HA -0.161 4.158 4.320 -0.002 0.000 0.216 107 A C 2.170 179.655 177.584 -0.165 0.000 1.186 107 A CA 1.427 53.182 52.037 -0.469 0.000 0.620 107 A CB -1.602 16.823 19.000 -0.958 0.000 0.822 107 A HN 0.118 nan 8.150 nan 0.000 0.443 108 L N -1.329 119.894 121.223 0.000 0.000 2.056 108 L HA -0.130 4.209 4.340 -0.002 0.000 0.207 108 L C 2.777 179.872 176.870 0.375 0.000 1.078 108 L CA 1.572 56.564 54.840 0.252 0.000 0.749 108 L CB -0.396 41.881 42.059 0.364 0.000 0.901 108 L HN 0.440 nan 8.230 nan 0.000 0.433 109 R N 0.217 120.745 120.500 0.046 0.000 2.083 109 R HA -0.197 4.142 4.340 -0.002 0.000 0.237 109 R C 2.347 178.586 176.300 -0.101 0.000 1.137 109 R CA 1.564 57.402 56.100 -0.438 0.000 0.951 109 R CB -0.281 29.636 30.300 -0.639 0.000 0.851 109 R HN 0.343 nan 8.270 nan 0.000 0.434 110 A N 0.657 123.431 122.820 -0.077 0.000 1.883 110 A HA -0.133 4.186 4.320 -0.002 0.000 0.217 110 A C 2.362 179.964 177.584 0.030 0.000 1.186 110 A CA 1.796 53.804 52.037 -0.048 0.000 0.624 110 A CB -0.954 18.000 19.000 -0.076 0.000 0.822 110 A HN 0.544 nan 8.150 nan 0.000 0.444 111 A N -1.613 121.268 122.820 0.102 0.000 2.070 111 A HA -0.034 4.284 4.320 -0.002 0.000 0.220 111 A C 1.940 179.635 177.584 0.184 0.000 1.159 111 A CA 1.589 53.750 52.037 0.206 0.000 0.656 111 A CB -0.651 18.512 19.000 0.271 0.000 0.800 111 A HN 0.653 nan 8.150 nan 0.000 0.453 112 F N 0.685 120.597 119.950 -0.064 0.000 2.163 112 F HA -0.110 4.416 4.527 -0.002 0.000 0.297 112 F C 2.245 177.872 175.800 -0.288 0.000 1.094 112 F CA 1.743 59.492 58.000 -0.418 0.000 1.290 112 F CB -0.325 38.553 39.000 -0.204 0.000 1.017 112 F HN 0.215 nan 8.300 nan 0.000 0.483 113 Q N 0.373 120.031 119.800 -0.236 0.000 2.124 113 Q HA -0.050 4.288 4.340 -0.002 0.000 0.202 113 Q C 2.595 178.484 176.000 -0.185 0.000 0.977 113 Q CA 1.434 57.066 55.803 -0.285 0.000 0.850 113 Q CB -1.645 26.997 28.738 -0.158 0.000 0.901 113 Q HN 0.510 nan 8.270 nan 0.000 0.429 114 G N -0.024 108.751 108.800 -0.042 0.000 2.422 114 G HA2 -0.252 3.706 3.960 -0.002 0.000 0.218 114 G HA3 -0.252 3.706 3.960 -0.002 0.000 0.218 114 G C 1.327 176.265 174.900 0.062 0.000 1.146 114 G CA 0.522 45.695 45.100 0.121 0.000 0.769 114 G HN 0.340 nan 8.290 nan 0.000 0.547 115 F N 1.407 121.059 119.950 -0.496 0.000 2.102 115 F HA 0.034 4.559 4.527 -0.002 0.000 0.298 115 F C 2.792 178.302 175.800 -0.484 0.000 1.105 115 F CA 1.429 58.899 58.000 -0.884 0.000 1.239 115 F CB -0.116 38.287 39.000 -0.994 0.000 0.991 115 F HN -0.024 nan 8.300 nan 0.000 0.474 116 R N -0.283 119.949 120.500 -0.447 0.000 2.241 116 R HA -0.137 4.201 4.340 -0.002 0.000 0.224 116 R C 1.630 177.752 176.300 -0.295 0.000 1.101 116 R CA 1.452 57.303 56.100 -0.415 0.000 0.995 116 R CB -0.221 29.793 30.300 -0.476 0.000 0.870 116 R HN 0.512 nan 8.270 nan 0.000 0.463 117 Q N -1.312 118.355 119.800 -0.221 0.000 2.246 117 Q HA 0.103 4.442 4.340 -0.002 0.000 0.222 117 Q C 0.590 176.556 176.000 -0.056 0.000 0.851 117 Q CA 0.305 56.036 55.803 -0.120 0.000 0.945 117 Q CB 1.037 29.728 28.738 -0.079 0.000 1.122 117 Q HN 0.107 nan 8.270 nan 0.000 0.508 118 K N -0.602 119.788 120.400 -0.017 0.000 2.585 118 K HA 0.303 4.622 4.320 -0.002 0.000 0.210 118 K C -0.239 176.456 176.600 0.159 0.000 1.294 118 K CA -0.128 56.226 56.287 0.112 0.000 1.025 118 K CB 1.577 34.220 32.500 0.238 0.000 1.076 118 K HN -0.047 nan 8.250 nan 0.000 0.613 119 A N 2.239 124.968 122.820 -0.151 0.000 2.477 119 A HA 0.278 4.597 4.320 -0.002 0.000 0.246 119 A C 0.684 178.188 177.584 -0.133 0.000 1.078 119 A CA -0.126 51.721 52.037 -0.316 0.000 0.770 119 A CB 0.165 18.263 19.000 -1.503 0.000 1.011 119 A HN 0.296 nan 8.150 nan 0.000 0.494 120 S N 2.509 118.226 115.700 0.028 0.000 2.617 120 S HA 0.307 4.776 4.470 -0.002 0.000 0.259 120 S C -1.983 172.628 174.600 0.019 0.000 1.301 120 S CA -0.607 57.618 58.200 0.042 0.000 0.984 120 S CB 0.193 63.453 63.200 0.099 0.000 0.954 120 S HN 0.446 nan 8.310 nan 0.000 0.572 121 P HA 0.009 nan 4.420 nan 0.000 0.217 121 P C 0.934 178.280 177.300 0.077 0.000 1.151 121 P CA 1.014 64.133 63.100 0.033 0.000 0.828 121 P CB -0.030 31.688 31.700 0.030 0.000 0.788 122 E N -0.332 119.933 120.200 0.107 0.000 2.204 122 E HA -0.161 4.188 4.350 -0.002 0.000 0.194 122 E C 1.832 178.568 176.600 0.225 0.000 0.989 122 E CA 1.054 57.543 56.400 0.148 0.000 0.824 122 E CB -0.536 29.252 29.700 0.146 0.000 0.756 122 E HN 0.421 nan 8.360 nan 0.000 0.477 123 E N 0.474 120.828 120.200 0.256 0.000 2.051 123 E HA -0.050 4.298 4.350 -0.002 0.000 0.189 123 E C 1.782 178.593 176.600 0.351 0.000 0.979 123 E CA 0.664 57.324 56.400 0.433 0.000 0.803 123 E CB 0.037 30.042 29.700 0.508 0.000 0.761 123 E HN 0.107 nan 8.360 nan 0.000 0.451 124 K N 0.704 121.196 120.400 0.154 0.000 2.211 124 K HA -0.126 4.192 4.320 -0.002 0.000 0.203 124 K C 2.090 178.772 176.600 0.137 0.000 1.050 124 K CA 0.716 57.081 56.287 0.130 0.000 0.945 124 K CB 0.108 32.594 32.500 -0.022 0.000 0.732 124 K HN 0.012 nan 8.250 nan 0.000 0.451 125 E N 1.393 121.664 120.200 0.118 0.000 2.076 125 E HA -0.167 4.182 4.350 -0.002 0.000 0.190 125 E C 1.630 178.296 176.600 0.109 0.000 0.979 125 E CA 1.093 57.549 56.400 0.092 0.000 0.807 125 E CB -0.002 29.753 29.700 0.092 0.000 0.761 125 E HN 0.171 nan 8.360 nan 0.000 0.454 126 D N -0.032 120.479 120.400 0.185 0.000 2.097 126 D HA -0.191 4.448 4.640 -0.002 0.000 0.195 126 D C 1.874 178.237 176.300 0.104 0.000 0.989 126 D CA 0.756 54.914 54.000 0.264 0.000 0.827 126 D CB -0.462 40.643 40.800 0.509 0.000 0.966 126 D HN 0.124 nan 8.370 nan 0.000 0.456 127 F N 0.951 120.605 119.950 -0.495 0.000 2.250 127 F HA -0.060 4.466 4.527 -0.002 0.000 0.301 127 F C 1.998 177.634 175.800 -0.274 0.000 1.077 127 F CA 1.380 58.784 58.000 -0.993 0.000 1.348 127 F CB -0.621 37.757 39.000 -1.036 0.000 1.040 127 F HN 0.034 nan 8.300 nan 0.000 0.509 128 A N 0.474 123.174 122.820 -0.200 0.000 1.898 128 A HA -0.080 4.239 4.320 -0.002 0.000 0.214 128 A C 2.401 179.909 177.584 -0.126 0.000 1.183 128 A CA 1.137 53.044 52.037 -0.217 0.000 0.622 128 A CB -0.547 18.399 19.000 -0.089 0.000 0.824 128 A HN 0.383 nan 8.150 nan 0.000 0.444 129 R N -1.724 118.772 120.500 -0.007 0.000 2.081 129 R HA -0.115 4.224 4.340 -0.002 0.000 0.235 129 R C 2.007 178.344 176.300 0.060 0.000 1.131 129 R CA 1.592 57.718 56.100 0.043 0.000 0.960 129 R CB -0.565 29.805 30.300 0.115 0.000 0.856 129 R HN 0.572 nan 8.270 nan 0.000 0.436 130 F N 2.211 122.157 119.950 -0.006 0.000 2.069 130 F HA -0.252 4.273 4.527 -0.002 0.000 0.298 130 F C 2.275 178.022 175.800 -0.089 0.000 1.113 130 F CA 1.698 59.728 58.000 0.050 0.000 1.214 130 F CB -0.263 38.892 39.000 0.258 0.000 0.978 130 F HN -0.036 nan 8.300 nan 0.000 0.474 131 Q N -0.284 119.374 119.800 -0.236 0.000 2.181 131 Q HA -0.264 4.074 4.340 -0.002 0.000 0.205 131 Q C 2.248 178.025 176.000 -0.373 0.000 0.980 131 Q CA 1.913 57.477 55.803 -0.400 0.000 0.862 131 Q CB -0.281 28.210 28.738 -0.410 0.000 0.905 131 Q HN 0.648 nan 8.270 nan 0.000 0.429 132 E N 0.610 120.658 120.200 -0.253 0.000 2.076 132 E HA -0.169 4.180 4.350 -0.002 0.000 0.190 132 E C 1.484 177.989 176.600 -0.159 0.000 0.979 132 E CA 0.755 57.050 56.400 -0.176 0.000 0.807 132 E CB 0.223 29.860 29.700 -0.104 0.000 0.761 132 E HN 0.353 nan 8.360 nan 0.000 0.454 133 E N 0.082 120.188 120.200 -0.158 0.000 2.152 133 E HA -0.129 4.220 4.350 -0.002 0.000 0.192 133 E C 1.395 177.930 176.600 -0.109 0.000 0.983 133 E CA 0.720 57.076 56.400 -0.074 0.000 0.818 133 E CB 0.153 29.843 29.700 -0.017 0.000 0.758 133 E HN 0.169 nan 8.360 nan 0.000 0.467 134 E N 0.141 120.049 120.200 -0.486 0.000 2.463 134 E HA 0.128 4.477 4.350 -0.002 0.000 0.193 134 E C 1.516 177.413 176.600 -1.171 0.000 1.041 134 E CA 0.168 56.067 56.400 -0.836 0.000 0.879 134 E CB 0.358 29.349 29.700 -1.181 0.000 0.997 134 E HN 0.197 nan 8.360 nan 0.000 0.478 135 A N 2.242 124.687 122.820 -0.625 0.000 1.927 135 A HA -0.199 4.120 4.320 -0.002 0.000 0.220 135 A C 1.992 179.335 177.584 -0.402 0.000 1.185 135 A CA 1.630 53.381 52.037 -0.476 0.000 0.639 135 A CB -1.337 17.527 19.000 -0.227 0.000 0.820 135 A HN 0.581 nan 8.150 nan 0.000 0.451 136 W N -0.124 121.011 121.300 -0.276 0.000 2.321 136 W HA -0.200 4.459 4.660 -0.002 0.000 0.285 136 W C 1.825 178.292 176.519 -0.087 0.000 1.213 136 W CA 1.312 58.572 57.345 -0.142 0.000 1.205 136 W CB -1.396 28.023 29.460 -0.069 0.000 1.134 136 W HN 0.814 nan 8.180 nan 0.000 0.549 137 W N -0.431 120.453 121.300 -0.693 0.000 3.283 137 W HA 0.218 4.877 4.660 -0.002 0.000 0.235 137 W C 1.788 178.128 176.519 -0.299 0.000 1.123 137 W CA 0.040 57.040 57.345 -0.575 0.000 1.534 137 W CB -1.373 27.377 29.460 -1.183 0.000 0.839 137 W HN -0.169 nan 8.180 nan 0.000 0.734 138 L N 2.788 123.011 121.223 -1.667 0.000 2.079 138 L HA -0.091 4.247 4.340 -0.002 0.000 0.210 138 L C 2.958 179.573 176.870 -0.425 0.000 1.081 138 L CA 2.300 56.356 54.840 -1.306 0.000 0.752 138 L CB -0.888 40.288 42.059 -1.472 0.000 0.896 138 L HN -0.002 nan 8.230 nan 0.000 0.433 139 R N -0.642 119.645 120.500 -0.355 0.000 2.073 139 R HA -0.176 4.163 4.340 -0.002 0.000 0.234 139 R C 1.910 178.195 176.300 -0.024 0.000 1.134 139 R CA 2.006 58.011 56.100 -0.158 0.000 0.952 139 R CB -0.359 29.853 30.300 -0.146 0.000 0.850 139 R HN 0.457 nan 8.270 nan 0.000 0.433 140 D N -0.624 119.788 120.400 0.020 0.000 2.144 140 D HA -0.181 4.458 4.640 -0.002 0.000 0.200 140 D C 1.647 178.151 176.300 0.340 0.000 0.978 140 D CA 0.998 55.092 54.000 0.157 0.000 0.833 140 D CB -0.308 40.538 40.800 0.076 0.000 0.961 140 D HN 0.275 nan 8.370 nan 0.000 0.470 141 Y N 2.126 122.542 120.300 0.194 0.000 2.114 141 Y HA -0.183 4.366 4.550 -0.002 0.000 0.284 141 Y C 2.320 178.343 175.900 0.205 0.000 1.143 141 Y CA 1.707 59.967 58.100 0.268 0.000 1.135 141 Y CB -0.649 38.027 38.460 0.360 0.000 0.980 141 Y HN -0.068 nan 8.280 nan 0.000 0.499 142 A N 0.337 123.081 122.820 -0.126 0.000 1.883 142 A HA -0.226 4.093 4.320 -0.002 0.000 0.217 142 A C 2.239 179.703 177.584 -0.200 0.000 1.186 142 A CA 2.012 53.913 52.037 -0.228 0.000 0.624 142 A CB -1.375 17.620 19.000 -0.008 0.000 0.822 142 A HN 0.568 nan 8.150 nan 0.000 0.444 143 L N -1.628 119.586 121.223 -0.015 0.000 2.093 143 L HA -0.045 4.294 4.340 -0.002 0.000 0.208 143 L C 2.138 178.988 176.870 -0.034 0.000 1.085 143 L CA 2.035 56.895 54.840 0.033 0.000 0.755 143 L CB -0.796 41.380 42.059 0.194 0.000 0.904 143 L HN 0.432 nan 8.230 nan 0.000 0.435 144 F N -0.391 119.510 119.950 -0.082 0.000 2.069 144 F HA -0.279 4.247 4.527 -0.002 0.000 0.298 144 F C 2.269 177.863 175.800 -0.343 0.000 1.113 144 F CA 1.981 59.851 58.000 -0.218 0.000 1.214 144 F CB -0.266 38.709 39.000 -0.041 0.000 0.978 144 F HN 0.046 nan 8.300 nan 0.000 0.474 145 M N 0.072 119.327 119.600 -0.576 0.000 2.080 145 M HA -0.190 4.289 4.480 -0.002 0.000 0.260 145 M C 2.165 178.035 176.300 -0.717 0.000 1.068 145 M CA 2.149 56.933 55.300 -0.860 0.000 1.109 145 M CB -1.888 29.922 32.600 -1.317 0.000 1.342 145 M HN 0.157 nan 8.290 nan 0.000 0.405 146 T N 1.704 115.913 114.554 -0.575 0.000 2.665 146 T HA -0.138 4.211 4.350 -0.002 0.000 0.268 146 T C 2.034 176.549 174.700 -0.309 0.000 1.035 146 T CA 1.252 63.199 62.100 -0.255 0.000 1.151 146 T CB -0.410 68.388 68.868 -0.116 0.000 0.862 146 T HN 0.323 nan 8.240 nan 0.000 0.438 147 L N 0.580 121.518 121.223 -0.476 0.000 2.201 147 L HA -0.044 4.294 4.340 -0.002 0.000 0.212 147 L C 2.653 179.057 176.870 -0.778 0.000 1.105 147 L CA 1.145 55.573 54.840 -0.688 0.000 0.775 147 L CB -0.431 40.937 42.059 -1.151 0.000 0.913 147 L HN 0.264 nan 8.230 nan 0.000 0.440 148 K N -0.108 119.899 120.400 -0.656 0.000 2.103 148 K HA -0.113 4.206 4.320 -0.002 0.000 0.204 148 K C 2.200 178.659 176.600 -0.236 0.000 1.052 148 K CA 1.393 57.458 56.287 -0.371 0.000 0.945 148 K CB 0.133 32.292 32.500 -0.568 0.000 0.722 148 K HN 0.105 nan 8.250 nan 0.000 0.443 149 S N -0.024 115.530 115.700 -0.243 0.000 2.355 149 S HA -0.171 4.297 4.470 -0.002 0.000 0.222 149 S C 1.708 176.232 174.600 -0.126 0.000 1.031 149 S CA 1.441 59.554 58.200 -0.145 0.000 0.993 149 S CB -0.502 62.631 63.200 -0.112 0.000 0.859 149 S HN 0.521 nan 8.310 nan 0.000 0.453 150 H N 0.503 119.428 119.070 -0.241 0.000 2.543 150 H HA -0.040 4.514 4.556 -0.002 0.000 0.286 150 H C 0.621 175.665 175.328 -0.474 0.000 1.037 150 H CA 1.306 57.166 56.048 -0.313 0.000 1.250 150 H CB -0.027 29.535 29.762 -0.332 0.000 1.373 150 H HN 0.423 nan 8.280 nan 0.000 0.580 151 H N -1.650 117.231 119.070 -0.315 0.000 2.475 151 H HA 0.286 4.841 4.556 -0.002 0.000 0.276 151 H C 1.158 176.399 175.328 -0.145 0.000 1.126 151 H CA 0.329 56.209 56.048 -0.280 0.000 1.023 151 H CB 0.639 30.173 29.762 -0.381 0.000 1.669 151 H HN 0.421 nan 8.280 nan 0.000 0.573 152 G N 0.443 109.192 108.800 -0.084 0.000 2.225 152 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.267 152 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.267 152 G C 1.289 176.196 174.900 0.011 0.000 1.024 152 G CA 0.468 45.546 45.100 -0.036 0.000 0.784 152 G HN 1.058 nan 8.290 nan 0.000 0.507 153 G N -1.708 107.102 108.800 0.016 0.000 2.162 153 G HA2 -0.263 3.695 3.960 -0.002 0.000 0.260 153 G HA3 -0.263 3.695 3.960 -0.002 0.000 0.260 153 G C 0.609 175.553 174.900 0.074 0.000 0.976 153 G CA 0.549 45.667 45.100 0.031 0.000 0.655 153 G HN 1.380 nan 8.290 nan 0.000 0.533 154 L N 2.245 123.549 121.223 0.136 0.000 2.506 154 L HA 0.236 4.574 4.340 -0.002 0.000 0.281 154 L C -0.858 176.066 176.870 0.090 0.000 1.228 154 L CA -1.315 53.603 54.840 0.130 0.000 0.850 154 L CB 0.295 42.479 42.059 0.208 0.000 1.110 154 L HN 0.064 nan 8.230 nan 0.000 0.496 155 P HA -0.090 nan 4.420 nan 0.000 0.272 155 P C 0.488 177.236 177.300 -0.919 0.000 1.223 155 P CA -0.304 62.603 63.100 -0.322 0.000 0.784 155 P CB 0.407 31.926 31.700 -0.302 0.000 0.923 156 W N 4.637 125.195 121.300 -1.237 0.000 2.321 156 W HA -0.225 4.434 4.660 -0.002 0.000 0.306 156 W C 0.492 176.262 176.519 -1.248 0.000 1.217 156 W CA 1.580 57.538 57.345 -2.312 0.000 1.257 156 W CB -2.312 26.207 29.460 -1.568 0.000 1.145 156 W HN 0.318 nan 8.180 nan 0.000 0.509 157 N N 1.508 119.122 118.700 -1.809 0.000 2.466 157 N HA 0.233 4.972 4.740 -0.002 0.000 0.211 157 N C 0.699 175.807 175.510 -0.670 0.000 1.256 157 N CA 0.964 53.203 53.050 -1.352 0.000 0.840 157 N CB -0.215 37.297 38.487 -1.624 0.000 1.079 157 N HN 0.232 nan 8.380 nan 0.000 0.466 158 A N -1.603 120.880 122.820 -0.562 0.000 2.628 158 A HA 0.260 4.579 4.320 -0.002 0.000 0.267 158 A C -0.323 177.250 177.584 -0.018 0.000 1.159 158 A CA -0.637 51.250 52.037 -0.249 0.000 0.972 158 A CB 0.034 18.908 19.000 -0.211 0.000 1.211 158 A HN 0.189 nan 8.150 nan 0.000 0.576 159 W N 0.729 121.914 121.300 -0.191 0.000 2.141 159 W HA 0.482 5.140 4.660 -0.002 0.000 0.354 159 W C -2.555 173.903 176.519 -0.102 0.000 1.297 159 W CA -2.672 54.532 57.345 -0.236 0.000 1.380 159 W CB -0.847 28.380 29.460 -0.389 0.000 1.168 159 W HN -0.040 nan 8.180 nan 0.000 0.639 160 P HA -0.059 nan 4.420 nan 0.000 0.265 160 P C 1.298 178.690 177.300 0.153 0.000 1.193 160 P CA 0.212 63.398 63.100 0.144 0.000 0.765 160 P CB 0.405 32.193 31.700 0.146 0.000 0.823 161 L N 4.232 125.524 121.223 0.115 0.000 2.030 161 L HA -0.381 3.958 4.340 -0.002 0.000 0.222 161 L C 2.079 179.031 176.870 0.137 0.000 1.082 161 L CA 2.601 57.509 54.840 0.113 0.000 0.785 161 L CB -0.874 41.230 42.059 0.075 0.000 0.895 161 L HN 0.465 nan 8.230 nan 0.000 0.439 162 A N -0.461 122.429 122.820 0.118 0.000 1.892 162 A HA -0.253 4.066 4.320 -0.002 0.000 0.218 162 A C 2.166 179.851 177.584 0.168 0.000 1.188 162 A CA 2.370 54.475 52.037 0.113 0.000 0.631 162 A CB -0.958 18.093 19.000 0.086 0.000 0.822 162 A HN 0.569 nan 8.150 nan 0.000 0.447 163 L N -1.640 119.715 121.223 0.219 0.000 2.095 163 L HA -0.088 4.251 4.340 -0.002 0.000 0.204 163 L C 2.768 179.993 176.870 0.592 0.000 1.080 163 L CA 1.415 56.464 54.840 0.350 0.000 0.759 163 L CB -0.458 41.749 42.059 0.248 0.000 0.914 163 L HN 0.492 nan 8.230 nan 0.000 0.439 164 R N 0.531 121.332 120.500 0.503 0.000 2.083 164 R HA -0.183 4.156 4.340 -0.002 0.000 0.237 164 R C 2.040 178.667 176.300 0.546 0.000 1.137 164 R CA 2.089 58.540 56.100 0.586 0.000 0.951 164 R CB -0.317 30.178 30.300 0.324 0.000 0.851 164 R HN 0.420 nan 8.270 nan 0.000 0.434 165 T N -1.870 112.869 114.554 0.309 0.000 3.194 165 T HA 0.161 4.509 4.350 -0.002 0.000 0.251 165 T C 0.179 174.917 174.700 0.064 0.000 1.132 165 T CA -0.048 62.151 62.100 0.166 0.000 1.028 165 T CB -0.265 68.666 68.868 0.105 0.000 0.976 165 T HN 0.374 nan 8.240 nan 0.000 0.535 166 R N 1.198 121.768 120.500 0.116 0.000 3.264 166 R HA -0.129 4.210 4.340 -0.002 0.000 0.251 166 R C -0.733 175.540 176.300 -0.045 0.000 0.971 166 R CA 0.393 56.469 56.100 -0.040 0.000 0.658 166 R CB -2.000 28.080 30.300 -0.366 0.000 1.095 166 R HN 0.671 nan 8.270 nan 0.000 0.443 167 E N 0.577 120.791 120.200 0.023 0.000 2.384 167 E HA -0.078 4.271 4.350 -0.002 0.000 0.266 167 E C 1.156 177.748 176.600 -0.014 0.000 1.012 167 E CA -0.224 56.177 56.400 0.002 0.000 0.901 167 E CB 0.823 30.538 29.700 0.026 0.000 0.967 167 E HN 0.174 nan 8.360 nan 0.000 0.435 168 E N 3.945 124.125 120.200 -0.033 0.000 2.108 168 E HA -0.302 4.047 4.350 -0.002 0.000 0.203 168 E C 1.822 178.409 176.600 -0.023 0.000 1.022 168 E CA 1.935 58.312 56.400 -0.038 0.000 0.823 168 E CB 0.063 29.740 29.700 -0.039 0.000 0.744 168 E HN 0.516 nan 8.360 nan 0.000 0.456 169 R N -0.375 120.118 120.500 -0.011 0.000 2.064 169 R HA -0.072 4.267 4.340 -0.002 0.000 0.228 169 R C 2.329 178.629 176.300 0.001 0.000 1.144 169 R CA 1.514 57.610 56.100 -0.006 0.000 0.932 169 R CB -0.661 29.638 30.300 -0.003 0.000 0.833 169 R HN 0.221 nan 8.270 nan 0.000 0.429 170 A N 1.632 124.461 122.820 0.015 0.000 1.915 170 A HA -0.219 4.100 4.320 -0.002 0.000 0.220 170 A C 2.305 179.907 177.584 0.030 0.000 1.198 170 A CA 1.839 53.894 52.037 0.029 0.000 0.647 170 A CB -0.835 18.200 19.000 0.058 0.000 0.825 170 A HN 0.414 nan 8.150 nan 0.000 0.456 171 L N -1.136 120.108 121.223 0.035 0.000 1.994 171 L HA -0.235 4.103 4.340 -0.002 0.000 0.208 171 L C 2.682 179.556 176.870 0.007 0.000 1.071 171 L CA 2.076 56.939 54.840 0.038 0.000 0.745 171 L CB -0.564 41.498 42.059 0.006 0.000 0.892 171 L HN 0.389 nan 8.230 nan 0.000 0.431 172 K N -0.058 120.337 120.400 -0.010 0.000 2.103 172 K HA -0.192 4.126 4.320 -0.002 0.000 0.207 172 K C 1.989 178.577 176.600 -0.020 0.000 1.048 172 K CA 1.512 57.788 56.287 -0.018 0.000 0.930 172 K CB -0.092 32.395 32.500 -0.022 0.000 0.716 172 K HN 0.413 nan 8.250 nan 0.000 0.444 173 E N 0.529 120.718 120.200 -0.019 0.000 2.028 173 E HA -0.180 4.169 4.350 -0.002 0.000 0.191 173 E C 2.149 178.723 176.600 -0.043 0.000 0.988 173 E CA 1.074 57.458 56.400 -0.027 0.000 0.799 173 E CB -0.169 29.517 29.700 -0.023 0.000 0.755 173 E HN 0.309 nan 8.360 nan 0.000 0.447 174 A N 1.526 124.317 122.820 -0.048 0.000 1.908 174 A HA -0.267 4.052 4.320 -0.002 0.000 0.218 174 A C 2.025 179.566 177.584 -0.071 0.000 1.181 174 A CA 1.728 53.713 52.037 -0.087 0.000 0.627 174 A CB -0.517 18.435 19.000 -0.080 0.000 0.818 174 A HN 0.233 nan 8.150 nan 0.000 0.445 175 E N -0.756 119.423 120.200 -0.035 0.000 2.338 175 E HA -0.022 4.327 4.350 -0.002 0.000 0.197 175 E C 1.833 178.418 176.600 -0.024 0.000 1.007 175 E CA 0.748 57.135 56.400 -0.023 0.000 0.849 175 E CB -0.129 29.563 29.700 -0.013 0.000 0.774 175 E HN 0.616 nan 8.360 nan 0.000 0.506 176 A N 0.169 122.971 122.820 -0.031 0.000 1.973 176 A HA -0.010 4.308 4.320 -0.002 0.000 0.210 176 A C 1.987 179.552 177.584 -0.031 0.000 1.200 176 A CA 0.729 52.750 52.037 -0.027 0.000 0.707 176 A CB 0.049 19.034 19.000 -0.026 0.000 0.862 176 A HN 0.261 nan 8.150 nan 0.000 0.461 177 S N -0.902 114.769 115.700 -0.048 0.000 2.660 177 S HA 0.440 4.909 4.470 -0.002 0.000 0.227 177 S C 0.470 175.031 174.600 -0.065 0.000 0.948 177 S CA 0.048 58.215 58.200 -0.055 0.000 0.948 177 S CB -0.317 62.842 63.200 -0.069 0.000 0.779 177 S HN 0.339 nan 8.310 nan 0.000 0.487 178 L N -0.282 120.910 121.223 -0.052 0.000 3.573 178 L HA 0.431 4.769 4.340 -0.002 0.000 0.335 178 L C 1.821 178.698 176.870 0.011 0.000 1.321 178 L CA 0.197 55.013 54.840 -0.040 0.000 1.009 178 L CB -0.187 41.815 42.059 -0.094 0.000 1.417 178 L HN 0.274 nan 8.230 nan 0.000 0.619 179 A N 1.057 123.888 122.820 0.019 0.000 2.032 179 A HA -0.219 4.100 4.320 -0.002 0.000 0.221 179 A C 2.272 179.922 177.584 0.110 0.000 1.165 179 A CA 2.183 54.250 52.037 0.050 0.000 0.645 179 A CB -0.150 18.870 19.000 0.034 0.000 0.807 179 A HN 0.591 nan 8.150 nan 0.000 0.453 180 E N 0.513 120.781 120.200 0.113 0.000 2.046 180 E HA -0.219 4.130 4.350 -0.002 0.000 0.190 180 E C 1.720 178.476 176.600 0.260 0.000 0.982 180 E CA 1.656 58.172 56.400 0.194 0.000 0.800 180 E CB -0.786 28.985 29.700 0.118 0.000 0.756 180 E HN 0.532 nan 8.360 nan 0.000 0.449 181 E N 1.212 121.514 120.200 0.170 0.000 2.077 181 E HA -0.077 4.272 4.350 -0.002 0.000 0.193 181 E C 2.247 179.006 176.600 0.266 0.000 0.989 181 E CA 1.279 57.799 56.400 0.200 0.000 0.800 181 E CB -0.396 29.382 29.700 0.130 0.000 0.746 181 E HN 0.402 nan 8.360 nan 0.000 0.452 182 I N 0.181 120.866 120.570 0.191 0.000 2.226 182 I HA -0.286 3.883 4.170 -0.002 0.000 0.245 182 I C 2.314 178.535 176.117 0.175 0.000 1.100 182 I CA 1.075 62.474 61.300 0.164 0.000 1.374 182 I CB -0.390 37.659 38.000 0.081 0.000 1.057 182 I HN 0.192 nan 8.210 nan 0.000 0.413 183 A N 0.713 123.659 122.820 0.210 0.000 1.933 183 A HA -0.252 4.067 4.320 -0.002 0.000 0.218 183 A C 2.203 179.810 177.584 0.039 0.000 1.175 183 A CA 1.335 53.539 52.037 0.280 0.000 0.628 183 A CB -0.889 18.405 19.000 0.490 0.000 0.814 183 A HN 0.461 nan 8.150 nan 0.000 0.444 184 F N 0.825 120.561 119.950 -0.355 0.000 2.069 184 F HA -0.240 4.286 4.527 -0.002 0.000 0.298 184 F C 2.392 177.997 175.800 -0.325 0.000 1.113 184 F CA 2.200 59.687 58.000 -0.855 0.000 1.214 184 F CB -0.771 37.959 39.000 -0.450 0.000 0.978 184 F HN 0.395 nan 8.300 nan 0.000 0.474 185 H N 0.055 118.941 119.070 -0.305 0.000 2.352 185 H HA -0.088 4.467 4.556 -0.002 0.000 0.299 185 H C 2.369 177.695 175.328 -0.004 0.000 1.097 185 H CA 1.481 57.364 56.048 -0.275 0.000 1.311 185 H CB -0.885 28.781 29.762 -0.159 0.000 1.377 185 H HN 0.423 nan 8.280 nan 0.000 0.504 186 A N 0.858 123.809 122.820 0.219 0.000 1.972 186 A HA -0.173 4.146 4.320 -0.002 0.000 0.219 186 A C 2.273 180.189 177.584 0.552 0.000 1.169 186 A CA 1.142 53.408 52.037 0.382 0.000 0.635 186 A CB -0.900 18.281 19.000 0.301 0.000 0.810 186 A HN 0.334 nan 8.150 nan 0.000 0.446 187 F N 1.990 122.012 119.950 0.120 0.000 2.102 187 F HA -0.188 4.338 4.527 -0.002 0.000 0.298 187 F C 2.777 178.524 175.800 -0.089 0.000 1.105 187 F CA 2.398 60.287 58.000 -0.185 0.000 1.239 187 F CB -0.886 37.633 39.000 -0.802 0.000 0.991 187 F HN 0.352 nan 8.300 nan 0.000 0.474 188 T N -1.558 112.844 114.554 -0.253 0.000 2.720 188 T HA -0.253 4.096 4.350 -0.002 0.000 0.268 188 T C 1.846 176.514 174.700 -0.054 0.000 1.037 188 T CA 1.547 63.486 62.100 -0.268 0.000 1.144 188 T CB -0.576 68.157 68.868 -0.225 0.000 0.864 188 T HN 0.316 nan 8.240 nan 0.000 0.444 189 Q N -0.317 119.615 119.800 0.219 0.000 2.079 189 Q HA -0.042 4.297 4.340 -0.002 0.000 0.200 189 Q C 1.889 178.089 176.000 0.335 0.000 0.974 189 Q CA 1.539 57.642 55.803 0.499 0.000 0.840 189 Q CB -0.783 28.459 28.738 0.840 0.000 0.898 189 Q HN 0.841 nan 8.270 nan 0.000 0.430 190 W N 1.705 122.868 121.300 -0.229 0.000 2.335 190 W HA -0.182 4.476 4.660 -0.002 0.000 0.311 190 W C 1.796 178.001 176.519 -0.522 0.000 1.213 190 W CA 1.382 58.201 57.345 -0.877 0.000 1.274 190 W CB -0.600 28.642 29.460 -0.363 0.000 1.148 190 W HN 0.065 nan 8.180 nan 0.000 0.498 191 L N -0.543 120.276 121.223 -0.674 0.000 1.994 191 L HA -0.212 4.127 4.340 -0.002 0.000 0.208 191 L C 2.568 179.158 176.870 -0.466 0.000 1.071 191 L CA 1.877 56.251 54.840 -0.777 0.000 0.745 191 L CB -1.489 40.144 42.059 -0.710 0.000 0.892 191 L HN 0.031 nan 8.230 nan 0.000 0.431 192 F N 0.746 120.458 119.950 -0.395 0.000 2.043 192 F HA -0.325 4.200 4.527 -0.002 0.000 0.297 192 F C 2.232 177.812 175.800 -0.367 0.000 1.118 192 F CA 1.795 59.571 58.000 -0.374 0.000 1.202 192 F CB -0.532 38.196 39.000 -0.453 0.000 0.965 192 F HN -0.138 nan 8.300 nan 0.000 0.482 193 F N 0.273 120.151 119.950 -0.119 0.000 2.171 193 F HA -0.153 4.372 4.527 -0.002 0.000 0.300 193 F C 2.493 178.153 175.800 -0.234 0.000 1.090 193 F CA 1.192 59.111 58.000 -0.135 0.000 1.293 193 F CB -0.584 38.506 39.000 0.150 0.000 1.013 193 F HN -0.141 nan 8.300 nan 0.000 0.486 194 R N 0.303 120.666 120.500 -0.229 0.000 2.075 194 R HA -0.116 4.223 4.340 -0.002 0.000 0.232 194 R C 2.122 178.256 176.300 -0.277 0.000 1.126 194 R CA 1.119 57.049 56.100 -0.283 0.000 0.963 194 R CB -0.952 29.009 30.300 -0.565 0.000 0.858 194 R HN 0.405 nan 8.270 nan 0.000 0.435 195 Q N -0.799 118.785 119.800 -0.359 0.000 2.119 195 Q HA -0.154 4.185 4.340 -0.002 0.000 0.201 195 Q C 1.842 177.646 176.000 -0.326 0.000 0.972 195 Q CA 1.035 56.647 55.803 -0.319 0.000 0.847 195 Q CB -0.124 28.421 28.738 -0.321 0.000 0.903 195 Q HN 0.437 nan 8.270 nan 0.000 0.433 196 W N 0.620 121.554 121.300 -0.610 0.000 2.381 196 W HA -0.093 4.566 4.660 -0.003 0.000 0.301 196 W C 1.741 178.048 176.519 -0.354 0.000 1.205 196 W CA 1.693 58.677 57.345 -0.601 0.000 1.285 196 W CB -0.401 28.518 29.460 -0.903 0.000 1.133 196 W HN 0.184 nan 8.180 nan 0.000 0.521 197 G N 0.993 109.731 108.800 -0.103 0.000 2.476 197 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.218 197 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.218 197 G C 1.732 176.549 174.900 -0.138 0.000 1.164 197 G CA 2.218 47.283 45.100 -0.057 0.000 0.768 197 G HN 0.369 nan 8.290 nan 0.000 0.560 198 A N 0.440 123.166 122.820 -0.157 0.000 1.865 198 A HA -0.031 4.288 4.320 -0.002 0.000 0.217 198 A C 2.407 179.892 177.584 -0.165 0.000 1.191 198 A CA 1.882 53.840 52.037 -0.130 0.000 0.623 198 A CB -0.604 18.321 19.000 -0.125 0.000 0.826 198 A HN 0.490 nan 8.150 nan 0.000 0.444 199 L N -0.149 120.901 121.223 -0.289 0.000 2.079 199 L HA -0.161 4.177 4.340 -0.002 0.000 0.210 199 L C 2.321 179.043 176.870 -0.247 0.000 1.081 199 L CA 2.632 57.282 54.840 -0.317 0.000 0.752 199 L CB -0.486 41.223 42.059 -0.584 0.000 0.896 199 L HN 0.498 nan 8.230 nan 0.000 0.433 200 K N -0.520 119.663 120.400 -0.362 0.000 2.025 200 K HA -0.195 4.123 4.320 -0.002 0.000 0.207 200 K C 1.932 178.568 176.600 0.060 0.000 1.049 200 K CA 1.784 58.034 56.287 -0.062 0.000 0.933 200 K CB -0.119 32.331 32.500 -0.082 0.000 0.714 200 K HN 0.472 nan 8.250 nan 0.000 0.438 201 E N 0.295 120.497 120.200 0.003 0.000 2.085 201 E HA -0.249 4.099 4.350 -0.002 0.000 0.194 201 E C 1.962 178.570 176.600 0.012 0.000 0.994 201 E CA 1.406 57.821 56.400 0.025 0.000 0.801 201 E CB -0.039 29.667 29.700 0.010 0.000 0.743 201 E HN 0.324 nan 8.360 nan 0.000 0.453 202 E N 1.208 121.403 120.200 -0.008 0.000 2.049 202 E HA -0.230 4.119 4.350 -0.002 0.000 0.198 202 E C 1.918 178.511 176.600 -0.011 0.000 1.007 202 E CA 1.687 58.082 56.400 -0.008 0.000 0.809 202 E CB -0.287 29.408 29.700 -0.008 0.000 0.749 202 E HN 0.237 nan 8.360 nan 0.000 0.450 203 A N 0.563 123.382 122.820 -0.002 0.000 1.902 203 A HA -0.237 4.081 4.320 -0.002 0.000 0.217 203 A C 2.067 179.590 177.584 -0.102 0.000 1.181 203 A CA 1.869 53.862 52.037 -0.074 0.000 0.623 203 A CB -0.676 18.221 19.000 -0.173 0.000 0.818 203 A HN 0.423 nan 8.150 nan 0.000 0.443 204 E N -0.211 119.968 120.200 -0.035 0.000 2.077 204 E HA -0.112 4.236 4.350 -0.002 0.000 0.193 204 E C 2.269 178.835 176.600 -0.058 0.000 0.989 204 E CA 0.935 57.305 56.400 -0.050 0.000 0.800 204 E CB -0.307 29.422 29.700 0.047 0.000 0.746 204 E HN 0.627 nan 8.360 nan 0.000 0.452 205 A N 1.141 123.940 122.820 -0.035 0.000 1.972 205 A HA -0.108 4.211 4.320 -0.002 0.000 0.219 205 A C 2.072 179.623 177.584 -0.054 0.000 1.169 205 A CA 0.920 52.937 52.037 -0.033 0.000 0.635 205 A CB -0.400 18.589 19.000 -0.019 0.000 0.810 205 A HN 0.143 nan 8.150 nan 0.000 0.446 206 L N -1.096 120.083 121.223 -0.073 0.000 2.599 206 L HA 0.169 4.507 4.340 -0.002 0.000 0.230 206 L C 1.526 178.320 176.870 -0.127 0.000 1.141 206 L CA 0.472 55.258 54.840 -0.091 0.000 0.877 206 L CB -0.266 41.735 42.059 -0.096 0.000 1.009 206 L HN 0.580 nan 8.230 nan 0.000 0.447 207 G N 1.247 109.962 108.800 -0.141 0.000 2.182 207 G HA2 -0.273 3.685 3.960 -0.002 0.000 0.248 207 G HA3 -0.273 3.685 3.960 -0.002 0.000 0.248 207 G C 0.006 174.744 174.900 -0.271 0.000 1.042 207 G CA -0.124 44.868 45.100 -0.180 0.000 0.775 207 G HN 0.313 nan 8.290 nan 0.000 0.501 208 I N 0.713 121.100 120.570 -0.304 0.000 2.378 208 I HA 0.636 4.805 4.170 -0.002 0.000 0.291 208 I C 0.633 176.431 176.117 -0.531 0.000 0.992 208 I CA -0.706 60.347 61.300 -0.412 0.000 1.154 208 I CB 1.862 39.657 38.000 -0.341 0.000 1.315 208 I HN 0.275 nan 8.210 nan 0.000 0.448 209 A N 6.378 128.793 122.820 -0.676 0.000 2.295 209 A HA 0.722 5.041 4.320 -0.002 0.000 0.318 209 A C -1.010 176.468 177.584 -0.177 0.000 1.134 209 A CA -0.284 51.381 52.037 -0.620 0.000 0.827 209 A CB 0.523 19.105 19.000 -0.697 0.000 1.136 209 A HN 0.584 nan 8.150 nan 0.000 0.493 210 F N 0.716 120.928 119.950 0.436 0.000 2.421 210 F HA 0.486 5.012 4.527 -0.002 0.000 0.337 210 F C 0.197 176.258 175.800 0.435 0.000 1.105 210 F CA -0.153 58.125 58.000 0.463 0.000 1.049 210 F CB 1.635 40.988 39.000 0.587 0.000 1.139 210 F HN 0.309 nan 8.300 nan 0.000 0.479 211 I N 3.626 124.520 120.570 0.540 0.000 2.330 211 I HA 0.326 4.495 4.170 -0.002 0.000 0.286 211 I C 0.581 176.682 176.117 -0.028 0.000 1.025 211 I CA -0.303 61.171 61.300 0.290 0.000 1.197 211 I CB 0.789 38.955 38.000 0.276 0.000 1.358 211 I HN 0.651 nan 8.210 nan 0.000 0.467 212 G N 3.978 112.500 108.800 -0.462 0.000 2.543 212 G HA2 0.379 4.338 3.960 -0.002 0.000 0.290 212 G HA3 0.379 4.338 3.960 -0.002 0.000 0.290 212 G C -1.233 173.270 174.900 -0.662 0.000 1.310 212 G CA -0.002 44.192 45.100 -1.510 0.000 1.025 212 G HN 0.521 nan 8.290 nan 0.000 0.502 213 D N -1.455 118.564 120.400 -0.635 0.000 2.655 213 D HA 0.570 5.209 4.640 -0.002 0.000 0.229 213 D C -0.510 175.670 176.300 -0.199 0.000 1.229 213 D CA -0.438 53.411 54.000 -0.253 0.000 0.807 213 D CB 1.942 42.632 40.800 -0.183 0.000 1.514 213 D HN 0.596 nan 8.370 nan 0.000 0.444 214 M N 0.399 119.970 119.600 -0.048 0.000 2.373 214 M HA 0.508 4.987 4.480 -0.002 0.000 0.290 214 M C -3.120 173.254 176.300 0.122 0.000 1.143 214 M CA -1.474 53.810 55.300 -0.027 0.000 0.949 214 M CB 3.038 35.634 32.600 -0.008 0.000 1.756 214 M HN -0.075 nan 8.290 nan 0.000 0.494 215 P HA 0.162 nan 4.420 nan 0.000 0.276 215 P C 0.451 177.881 177.300 0.217 0.000 1.230 215 P CA -0.215 63.021 63.100 0.227 0.000 0.776 215 P CB 1.612 33.452 31.700 0.233 0.000 0.888 216 I N 2.546 123.218 120.570 0.169 0.000 2.264 216 I HA -0.152 4.017 4.170 -0.002 0.000 0.248 216 I C 0.376 176.634 176.117 0.234 0.000 1.111 216 I CA 1.146 62.530 61.300 0.139 0.000 1.382 216 I CB -0.007 37.781 38.000 -0.354 0.000 1.060 216 I HN 0.166 nan 8.210 nan 0.000 0.418 217 F N 0.485 120.659 119.950 0.374 0.000 2.422 217 F HA 0.355 4.881 4.527 -0.002 0.000 0.333 217 F C 0.486 176.362 175.800 0.126 0.000 1.095 217 F CA -1.209 56.925 58.000 0.224 0.000 1.038 217 F CB 1.169 40.269 39.000 0.167 0.000 1.156 217 F HN -0.210 nan 8.300 nan 0.000 0.483 218 V N 0.683 120.750 119.914 0.255 0.000 3.295 218 V HA 0.808 4.927 4.120 -0.002 0.000 0.308 218 V C 0.123 176.239 176.094 0.036 0.000 1.068 218 V CA -1.038 61.335 62.300 0.122 0.000 1.062 218 V CB 0.989 32.881 31.823 0.115 0.000 1.162 218 V HN 0.860 nan 8.190 nan 0.000 0.456 219 A N 0.270 123.087 122.820 -0.004 0.000 2.327 219 A HA 0.385 4.704 4.320 -0.002 0.000 0.283 219 A C 1.084 178.651 177.584 -0.029 0.000 1.127 219 A CA 0.184 52.218 52.037 -0.006 0.000 0.810 219 A CB 0.427 19.424 19.000 -0.006 0.000 1.066 219 A HN 1.092 nan 8.150 nan 0.000 0.492 220 E N 0.840 121.038 120.200 -0.003 0.000 2.058 220 E HA -0.224 4.125 4.350 -0.002 0.000 0.194 220 E C -0.168 176.561 176.600 0.215 0.000 0.997 220 E CA 1.504 57.920 56.400 0.026 0.000 0.801 220 E CB 0.042 29.744 29.700 0.003 0.000 0.746 220 E HN 0.726 nan 8.360 nan 0.000 0.450 221 D N 0.770 121.304 120.400 0.224 0.000 2.522 221 D HA 0.099 4.738 4.640 -0.002 0.000 0.218 221 D C -1.499 175.065 176.300 0.439 0.000 1.149 221 D CA -0.129 54.130 54.000 0.432 0.000 0.981 221 D CB 0.155 41.164 40.800 0.350 0.000 1.041 221 D HN 0.106 nan 8.370 nan 0.000 0.518 222 S N 0.638 116.392 115.700 0.090 0.000 2.550 222 S HA 0.639 5.108 4.470 -0.002 0.000 0.270 222 S C 1.112 175.160 174.600 -0.919 0.000 1.145 222 S CA -0.414 57.576 58.200 -0.351 0.000 0.852 222 S CB 1.312 64.448 63.200 -0.107 0.000 1.119 222 S HN 0.148 nan 8.310 nan 0.000 0.465 223 A N 1.405 123.548 122.820 -1.128 0.000 1.884 223 A HA -0.159 4.159 4.320 -0.002 0.000 0.219 223 A C 1.754 179.242 177.584 -0.161 0.000 1.197 223 A CA 2.397 54.073 52.037 -0.602 0.000 0.637 223 A CB -1.339 17.644 19.000 -0.028 0.000 0.827 223 A HN 0.911 nan 8.150 nan 0.000 0.450 224 E N -0.561 119.634 120.200 -0.008 0.000 2.204 224 E HA -0.043 4.306 4.350 -0.002 0.000 0.194 224 E C 1.818 178.428 176.600 0.017 0.000 0.989 224 E CA 0.977 57.482 56.400 0.175 0.000 0.824 224 E CB -0.341 29.626 29.700 0.445 0.000 0.756 224 E HN 0.392 nan 8.360 nan 0.000 0.477 225 V N -0.239 119.499 119.914 -0.294 0.000 2.488 225 V HA -0.138 3.980 4.120 -0.002 0.000 0.246 225 V C 1.770 177.460 176.094 -0.672 0.000 1.046 225 V CA 1.283 63.266 62.300 -0.528 0.000 1.053 225 V CB -0.406 31.054 31.823 -0.604 0.000 0.679 225 V HN 0.449 nan 8.190 nan 0.000 0.458 226 W N 1.630 122.179 121.300 -1.253 0.000 2.379 226 W HA -0.111 4.548 4.660 -0.002 0.000 0.307 226 W C 2.302 178.351 176.519 -0.785 0.000 1.200 226 W CA 1.713 58.106 57.345 -1.587 0.000 1.297 226 W CB -0.436 28.255 29.460 -1.282 0.000 1.140 226 W HN 0.149 nan 8.180 nan 0.000 0.507 227 A N -1.323 121.058 122.820 -0.732 0.000 2.119 227 A HA 0.004 4.323 4.320 -0.002 0.000 0.216 227 A C 0.483 177.420 177.584 -1.078 0.000 1.152 227 A CA 0.938 52.399 52.037 -0.961 0.000 0.708 227 A CB -0.577 17.947 19.000 -0.792 0.000 0.805 227 A HN 0.451 nan 8.150 nan 0.000 0.460 228 H N -1.052 117.728 119.070 -0.484 0.000 2.712 228 H HA 0.162 4.717 4.556 -0.002 0.000 0.226 228 H C -2.222 172.918 175.328 -0.312 0.000 1.422 228 H CA -1.093 54.567 56.048 -0.647 0.000 1.270 228 H CB 0.526 29.538 29.762 -1.249 0.000 1.891 228 H HN 0.341 nan 8.280 nan 0.000 0.518 229 P HA -0.145 nan 4.420 nan 0.000 0.228 229 P C 1.358 178.706 177.300 0.080 0.000 1.151 229 P CA 0.880 64.028 63.100 0.080 0.000 0.770 229 P CB 0.420 32.132 31.700 0.021 0.000 0.786 230 E N -0.848 119.291 120.200 -0.102 0.000 2.204 230 E HA -0.171 4.178 4.350 -0.002 0.000 0.194 230 E C 1.178 177.770 176.600 -0.014 0.000 0.989 230 E CA 0.910 57.258 56.400 -0.088 0.000 0.824 230 E CB -1.084 28.525 29.700 -0.153 0.000 0.756 230 E HN 0.302 nan 8.360 nan 0.000 0.477 231 W N 0.483 121.639 121.300 -0.240 0.000 3.180 231 W HA 0.272 4.931 4.660 -0.001 0.000 0.254 231 W C 0.029 176.018 176.519 -0.885 0.000 1.318 231 W CA -0.327 56.638 57.345 -0.633 0.000 1.608 231 W CB -0.594 28.261 29.460 -1.009 0.000 1.124 231 W HN -0.107 nan 8.180 nan 0.000 0.694 232 F N -1.314 118.677 119.950 0.068 0.000 2.599 232 F HA 0.295 4.821 4.527 -0.002 0.000 0.311 232 F C 0.569 176.338 175.800 -0.051 0.000 1.076 232 F CA -1.483 56.516 58.000 -0.001 0.000 0.937 232 F CB 0.610 39.612 39.000 0.003 0.000 1.282 232 F HN -0.259 nan 8.300 nan 0.000 0.460 233 H N 4.017 123.214 119.070 0.212 0.000 3.330 233 H HA 0.338 4.892 4.556 -0.002 0.000 0.260 233 H C -0.570 174.827 175.328 0.115 0.000 1.439 233 H CA 0.375 56.503 56.048 0.134 0.000 1.540 233 H CB -0.210 29.610 29.762 0.097 0.000 1.698 233 H HN 0.302 nan 8.280 nan 0.000 0.516 234 L N 2.043 123.374 121.223 0.180 0.000 2.323 234 L HA 0.246 4.585 4.340 -0.002 0.000 0.265 234 L C 0.467 177.399 176.870 0.103 0.000 1.012 234 L CA -1.273 53.652 54.840 0.141 0.000 0.820 234 L CB 1.846 44.011 42.059 0.176 0.000 1.334 234 L HN 0.443 nan 8.230 nan 0.000 0.427 235 D N -0.940 119.503 120.400 0.071 0.000 2.453 235 D HA 0.089 4.727 4.640 -0.002 0.000 0.282 235 D C 0.516 176.847 176.300 0.052 0.000 1.222 235 D CA -0.373 53.658 54.000 0.051 0.000 1.079 235 D CB 0.495 41.311 40.800 0.026 0.000 1.128 235 D HN 0.518 nan 8.370 nan 0.000 0.568 236 E N -1.181 119.042 120.200 0.037 0.000 2.274 236 E HA -0.088 4.261 4.350 -0.002 0.000 0.194 236 E C 0.953 177.576 176.600 0.039 0.000 0.996 236 E CA 0.673 57.097 56.400 0.040 0.000 0.840 236 E CB 0.052 29.770 29.700 0.029 0.000 0.772 236 E HN 0.368 nan 8.360 nan 0.000 0.491 237 E N -0.610 119.597 120.200 0.011 0.000 2.489 237 E HA 0.071 4.420 4.350 -0.002 0.000 0.193 237 E C 0.951 177.511 176.600 -0.066 0.000 1.057 237 E CA 0.515 56.901 56.400 -0.023 0.000 0.866 237 E CB 0.559 30.229 29.700 -0.051 0.000 0.916 237 E HN 0.321 nan 8.360 nan 0.000 0.500 238 G N 1.091 109.892 108.800 0.002 0.000 2.157 238 G HA2 -0.351 3.608 3.960 -0.002 0.000 0.248 238 G HA3 -0.351 3.608 3.960 -0.002 0.000 0.248 238 G C 0.103 174.938 174.900 -0.109 0.000 0.979 238 G CA -0.002 45.111 45.100 0.021 0.000 0.650 238 G HN 0.225 nan 8.290 nan 0.000 0.529 239 R N 0.718 121.160 120.500 -0.096 0.000 2.349 239 R HA 0.471 4.810 4.340 -0.002 0.000 0.299 239 R C -2.581 173.706 176.300 -0.022 0.000 1.027 239 R CA -1.920 54.120 56.100 -0.101 0.000 0.958 239 R CB 0.872 31.110 30.300 -0.104 0.000 1.047 239 R HN 0.063 nan 8.270 nan 0.000 0.468 240 P HA -0.049 nan 4.420 nan 0.000 0.264 240 P C 0.502 177.809 177.300 0.011 0.000 1.193 240 P CA 0.307 63.417 63.100 0.016 0.000 0.763 240 P CB 0.841 32.533 31.700 -0.013 0.000 0.810 241 T N -0.245 114.336 114.554 0.044 0.000 3.054 241 T HA 0.156 4.505 4.350 -0.002 0.000 0.259 241 T C 0.647 175.338 174.700 -0.015 0.000 1.092 241 T CA 0.362 62.476 62.100 0.024 0.000 1.121 241 T CB -0.344 68.560 68.868 0.060 0.000 0.912 241 T HN 0.299 nan 8.240 nan 0.000 0.489 242 V N -0.637 119.262 119.914 -0.025 0.000 3.012 242 V HA 0.900 5.019 4.120 -0.002 0.000 0.307 242 V C -0.624 175.420 176.094 -0.084 0.000 1.166 242 V CA -1.273 60.978 62.300 -0.081 0.000 0.974 242 V CB 1.862 33.602 31.823 -0.139 0.000 1.040 242 V HN 0.362 nan 8.190 nan 0.000 0.428 243 V N 0.279 120.127 119.914 -0.109 0.000 3.046 243 V HA 1.065 5.184 4.120 -0.002 0.000 0.316 243 V C 0.539 176.526 176.094 -0.179 0.000 1.104 243 V CA -0.287 61.938 62.300 -0.124 0.000 1.006 243 V CB 1.375 33.155 31.823 -0.071 0.000 1.058 243 V HN 1.998 nan 8.190 nan 0.000 0.440 244 A N 0.944 123.617 122.820 -0.245 0.000 2.313 244 A HA 0.965 5.283 4.320 -0.002 0.000 0.261 244 A C 0.718 178.098 177.584 -0.340 0.000 1.090 244 A CA 0.419 52.265 52.037 -0.318 0.000 0.807 244 A CB 0.284 18.969 19.000 -0.525 0.000 1.055 244 A HN 2.677 nan 8.150 nan 0.000 0.492 245 G N -2.067 106.319 108.800 -0.690 0.000 2.327 245 G HA2 0.577 4.536 3.960 -0.002 0.000 0.291 245 G HA3 0.577 4.536 3.960 -0.002 0.000 0.291 245 G C -0.941 173.392 174.900 -0.944 0.000 1.290 245 G CA 0.126 44.441 45.100 -1.308 0.000 0.857 245 G HN 2.114 nan 8.290 nan 0.000 0.520 246 V N -2.296 117.147 119.914 -0.784 0.000 2.914 246 V HA 0.947 5.066 4.120 -0.002 0.000 0.314 246 V C -2.535 173.034 176.094 -0.875 0.000 1.084 246 V CA -2.237 59.699 62.300 -0.607 0.000 0.963 246 V CB 2.261 33.928 31.823 -0.259 0.000 1.025 246 V HN 0.830 nan 8.190 nan 0.000 0.432 247 P HA 0.379 nan 4.420 nan 0.000 0.274 247 P C -2.875 174.065 177.300 -0.600 0.000 1.246 247 P CA -1.795 60.401 63.100 -1.507 0.000 0.795 247 P CB -0.094 30.305 31.700 -2.168 0.000 1.006 248 P HA 0.077 nan 4.420 nan 0.000 0.267 248 P C -0.444 176.778 177.300 -0.132 0.000 1.205 248 P CA 0.795 63.790 63.100 -0.176 0.000 0.765 248 P CB 0.127 31.762 31.700 -0.109 0.000 0.828 249 D N 1.522 121.887 120.400 -0.058 0.000 2.585 249 D HA 0.075 4.714 4.640 -0.002 0.000 0.254 249 D C 0.855 177.139 176.300 -0.027 0.000 1.067 249 D CA -0.846 53.141 54.000 -0.021 0.000 1.090 249 D CB -0.080 40.739 40.800 0.031 0.000 1.408 249 D HN 0.194 nan 8.370 nan 0.000 0.554 250 Y N -0.002 120.153 120.300 -0.242 0.000 2.132 250 Y HA -0.283 4.266 4.550 -0.002 0.000 0.280 250 Y C 1.322 177.031 175.900 -0.318 0.000 1.193 250 Y CA 1.818 59.706 58.100 -0.354 0.000 1.157 250 Y CB -0.357 37.750 38.460 -0.588 0.000 0.966 250 Y HN 0.333 nan 8.280 nan 0.000 0.511 251 F N -0.841 119.089 119.950 -0.033 0.000 2.044 251 F HA 0.063 4.589 4.527 -0.003 0.000 0.287 251 F C 1.808 177.552 175.800 -0.093 0.000 1.155 251 F CA 1.207 59.145 58.000 -0.104 0.000 1.152 251 F CB -1.455 37.538 39.000 -0.012 0.000 1.013 251 F HN -0.226 nan 8.300 nan 0.000 0.478 252 S N 0.629 116.437 115.700 0.180 0.000 2.488 252 S HA 0.007 4.476 4.470 -0.002 0.000 0.278 252 S C 0.987 175.593 174.600 0.011 0.000 1.259 252 S CA -0.337 57.908 58.200 0.075 0.000 1.061 252 S CB 0.328 63.571 63.200 0.073 0.000 0.910 252 S HN 0.428 nan 8.310 nan 0.000 0.491 253 E N 3.033 123.229 120.200 -0.007 0.000 2.427 253 E HA -0.029 4.319 4.350 -0.002 0.000 0.196 253 E C 1.193 177.782 176.600 -0.019 0.000 1.028 253 E CA 0.706 57.092 56.400 -0.024 0.000 0.864 253 E CB 0.214 29.899 29.700 -0.025 0.000 0.813 253 E HN 0.677 nan 8.360 nan 0.000 0.514 254 T N -1.131 113.416 114.554 -0.012 0.000 3.043 254 T HA 0.356 4.705 4.350 -0.002 0.000 0.272 254 T C 0.428 175.111 174.700 -0.029 0.000 0.990 254 T CA 0.653 62.747 62.100 -0.011 0.000 0.897 254 T CB 0.306 69.177 68.868 0.004 0.000 1.111 254 T HN 0.402 nan 8.240 nan 0.000 0.529 255 G N 1.485 110.256 108.800 -0.050 0.000 2.698 255 G HA2 -0.162 3.796 3.960 -0.002 0.000 0.233 255 G HA3 -0.162 3.796 3.960 -0.002 0.000 0.233 255 G C -0.964 173.907 174.900 -0.049 0.000 1.352 255 G CA -0.452 44.587 45.100 -0.101 0.000 0.879 255 G HN 0.659 nan 8.290 nan 0.000 0.567 256 Q N -0.803 118.936 119.800 -0.101 0.000 2.323 256 Q HA 0.597 4.936 4.340 -0.002 0.000 0.271 256 Q C -0.018 175.879 176.000 -0.172 0.000 1.048 256 Q CA -0.739 55.044 55.803 -0.033 0.000 0.792 256 Q CB 2.468 31.292 28.738 0.143 0.000 1.280 256 Q HN 0.621 nan 8.270 nan 0.000 0.441 257 R N 2.371 122.860 120.500 -0.018 0.000 2.272 257 R HA 0.199 4.537 4.340 -0.002 0.000 0.323 257 R C -0.271 176.122 176.300 0.155 0.000 1.002 257 R CA -0.179 55.906 56.100 -0.024 0.000 0.900 257 R CB 0.429 30.739 30.300 0.017 0.000 1.151 257 R HN 0.719 nan 8.270 nan 0.000 0.507 258 W N 2.861 124.168 121.300 0.011 0.000 2.476 258 W HA 0.173 4.832 4.660 -0.003 0.000 0.281 258 W C 1.528 178.042 176.519 -0.008 0.000 1.230 258 W CA 1.095 58.445 57.345 0.007 0.000 1.287 258 W CB -0.325 29.141 29.460 0.010 0.000 1.108 258 W HN 0.911 nan 8.180 nan 0.000 0.567 259 G N -0.130 108.770 108.800 0.168 0.000 2.253 259 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.251 259 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.251 259 G C 0.305 175.226 174.900 0.035 0.000 0.998 259 G CA 0.194 45.337 45.100 0.072 0.000 0.621 259 G HN 0.282 nan 8.290 nan 0.000 0.524 260 N N 3.016 121.760 118.700 0.074 0.000 2.407 260 N HA 0.411 5.150 4.740 -0.002 0.000 0.250 260 N C -1.916 173.518 175.510 -0.127 0.000 1.236 260 N CA -0.021 53.032 53.050 0.006 0.000 0.879 260 N CB 0.746 39.293 38.487 0.099 0.000 1.088 260 N HN 0.307 nan 8.380 nan 0.000 0.450 261 P HA 0.066 nan 4.420 nan 0.000 0.271 261 P C -0.678 176.493 177.300 -0.215 0.000 1.218 261 P CA 0.035 63.052 63.100 -0.139 0.000 0.780 261 P CB 0.785 32.372 31.700 -0.188 0.000 0.901 262 L N 2.979 124.117 121.223 -0.141 0.000 2.343 262 L HA 0.368 4.706 4.340 -0.002 0.000 0.275 262 L C 0.642 177.552 176.870 0.066 0.000 1.056 262 L CA -1.084 53.629 54.840 -0.212 0.000 0.804 262 L CB 0.414 42.358 42.059 -0.191 0.000 1.203 262 L HN 0.355 nan 8.230 nan 0.000 0.440 263 Y N 1.085 121.410 120.300 0.042 0.000 2.326 263 Y HA 0.197 4.746 4.550 -0.002 0.000 0.333 263 Y C 0.566 176.387 175.900 -0.133 0.000 1.240 263 Y CA -0.395 57.557 58.100 -0.246 0.000 1.365 263 Y CB 0.494 38.497 38.460 -0.762 0.000 1.289 263 Y HN 0.374 nan 8.280 nan 0.000 0.548 264 R N 2.384 122.835 120.500 -0.083 0.000 2.825 264 R HA 0.026 4.364 4.340 -0.002 0.000 0.261 264 R C -0.058 176.268 176.300 0.045 0.000 1.341 264 R CA -0.208 55.861 56.100 -0.053 0.000 1.353 264 R CB -0.095 30.081 30.300 -0.206 0.000 1.191 264 R HN 0.888 nan 8.270 nan 0.000 0.590 265 W N 1.336 122.798 121.300 0.269 0.000 2.331 265 W HA -0.277 4.382 4.660 -0.001 0.000 0.291 265 W C 2.161 178.757 176.519 0.129 0.000 1.214 265 W CA 1.483 58.971 57.345 0.240 0.000 1.228 265 W CB 0.143 29.806 29.460 0.338 0.000 1.135 265 W HN 0.604 nan 8.180 nan 0.000 0.537 266 E N 0.297 120.691 120.200 0.323 0.000 2.077 266 E HA -0.222 4.127 4.350 -0.002 0.000 0.193 266 E C 1.828 178.467 176.600 0.065 0.000 0.989 266 E CA 2.064 58.569 56.400 0.175 0.000 0.800 266 E CB -0.456 29.336 29.700 0.153 0.000 0.746 266 E HN 0.162 nan 8.360 nan 0.000 0.452 267 V N 1.594 121.536 119.914 0.046 0.000 2.379 267 V HA -0.218 3.901 4.120 -0.002 0.000 0.245 267 V C 2.538 178.593 176.094 -0.064 0.000 1.044 267 V CA 1.385 63.694 62.300 0.016 0.000 1.036 267 V CB -0.476 31.388 31.823 0.068 0.000 0.664 267 V HN 0.324 nan 8.190 nan 0.000 0.453 268 L N -0.115 121.022 121.223 -0.144 0.000 2.093 268 L HA -0.179 4.159 4.340 -0.002 0.000 0.208 268 L C 2.583 179.200 176.870 -0.422 0.000 1.085 268 L CA 1.877 56.553 54.840 -0.273 0.000 0.755 268 L CB -0.593 41.352 42.059 -0.190 0.000 0.904 268 L HN 0.423 nan 8.230 nan 0.000 0.435 269 E N 0.927 120.838 120.200 -0.482 0.000 2.051 269 E HA -0.271 4.077 4.350 -0.002 0.000 0.192 269 E C 2.017 178.327 176.600 -0.483 0.000 0.991 269 E CA 1.478 57.333 56.400 -0.907 0.000 0.799 269 E CB 0.044 29.483 29.700 -0.435 0.000 0.748 269 E HN 0.618 nan 8.360 nan 0.000 0.449 270 E N 0.285 120.348 120.200 -0.229 0.000 2.267 270 E HA -0.224 4.125 4.350 -0.002 0.000 0.197 270 E C 1.294 177.823 176.600 -0.119 0.000 0.998 270 E CA 1.187 57.511 56.400 -0.127 0.000 0.830 270 E CB -0.078 29.590 29.700 -0.053 0.000 0.751 270 E HN 0.226 nan 8.360 nan 0.000 0.491 271 E N -0.104 120.004 120.200 -0.153 0.000 2.451 271 E HA 0.155 4.503 4.350 -0.002 0.000 0.194 271 E C 0.282 176.808 176.600 -0.124 0.000 1.027 271 E CA 0.256 56.600 56.400 -0.093 0.000 0.914 271 E CB 0.276 29.958 29.700 -0.030 0.000 1.054 271 E HN 0.468 nan 8.360 nan 0.000 0.461 272 G N 0.943 109.619 108.800 -0.208 0.000 2.249 272 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.273 272 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.273 272 G C 0.289 175.197 174.900 0.013 0.000 1.036 272 G CA 0.258 45.282 45.100 -0.126 0.000 0.824 272 G HN 0.500 nan 8.290 nan 0.000 0.504 273 F N -1.334 118.614 119.950 -0.002 0.000 3.067 273 F HA -0.313 4.213 4.527 -0.002 0.000 0.279 273 F C 2.158 177.943 175.800 -0.026 0.000 0.945 273 F CA 1.297 59.306 58.000 0.014 0.000 0.948 273 F CB -2.233 36.806 39.000 0.065 0.000 0.898 273 F HN 0.737 nan 8.300 nan 0.000 0.746 274 S N 0.055 115.769 115.700 0.024 0.000 2.374 274 S HA -0.318 4.151 4.470 -0.002 0.000 0.227 274 S C 1.709 176.291 174.600 -0.029 0.000 1.037 274 S CA 1.415 59.608 58.200 -0.011 0.000 1.024 274 S CB -0.695 62.493 63.200 -0.020 0.000 0.861 274 S HN 0.521 nan 8.310 nan 0.000 0.456 275 F N 1.389 121.099 119.950 -0.399 0.000 2.069 275 F HA -0.036 4.490 4.527 -0.002 0.000 0.298 275 F C 2.031 177.662 175.800 -0.281 0.000 1.113 275 F CA 1.167 58.854 58.000 -0.521 0.000 1.214 275 F CB -1.013 37.267 39.000 -1.200 0.000 0.978 275 F HN 0.217 nan 8.300 nan 0.000 0.474 276 W N 0.344 121.435 121.300 -0.349 0.000 2.363 276 W HA -0.217 4.443 4.660 -0.001 0.000 0.296 276 W C 2.388 178.794 176.519 -0.189 0.000 1.212 276 W CA 0.938 58.061 57.345 -0.370 0.000 1.260 276 W CB -0.369 28.957 29.460 -0.223 0.000 1.131 276 W HN -0.003 nan 8.180 nan 0.000 0.530 277 I N 0.091 120.749 120.570 0.147 0.000 2.252 277 I HA -0.240 3.929 4.170 -0.002 0.000 0.245 277 I C 2.466 178.692 176.117 0.181 0.000 1.102 277 I CA 1.732 63.143 61.300 0.185 0.000 1.385 277 I CB -2.015 36.018 38.000 0.056 0.000 1.064 277 I HN -0.026 nan 8.210 nan 0.000 0.414 278 A N 0.610 123.480 122.820 0.084 0.000 1.902 278 A HA -0.220 4.099 4.320 -0.002 0.000 0.217 278 A C 2.551 180.348 177.584 0.355 0.000 1.181 278 A CA 1.565 53.706 52.037 0.172 0.000 0.623 278 A CB -0.652 18.444 19.000 0.160 0.000 0.818 278 A HN 0.322 nan 8.150 nan 0.000 0.443 279 R N -0.447 120.077 120.500 0.039 0.000 2.081 279 R HA -0.055 4.284 4.340 -0.002 0.000 0.235 279 R C 1.941 178.182 176.300 -0.099 0.000 1.131 279 R CA 1.526 57.443 56.100 -0.306 0.000 0.960 279 R CB -0.337 29.398 30.300 -0.942 0.000 0.856 279 R HN 0.542 nan 8.270 nan 0.000 0.436 280 L N -0.279 120.959 121.223 0.026 0.000 2.109 280 L HA -0.080 4.258 4.340 -0.002 0.000 0.207 280 L C 2.771 179.656 176.870 0.025 0.000 1.086 280 L CA 1.036 55.874 54.840 -0.002 0.000 0.760 280 L CB -0.398 41.614 42.059 -0.079 0.000 0.910 280 L HN 0.228 nan 8.230 nan 0.000 0.437 281 R N 0.861 121.535 120.500 0.291 0.000 2.081 281 R HA -0.238 4.101 4.340 -0.002 0.000 0.235 281 R C 2.326 178.745 176.300 0.198 0.000 1.131 281 R CA 1.719 58.033 56.100 0.357 0.000 0.960 281 R CB -0.028 30.487 30.300 0.358 0.000 0.856 281 R HN 0.006 nan 8.270 nan 0.000 0.436 282 K N 0.320 120.843 120.400 0.206 0.000 2.148 282 K HA 0.006 4.325 4.320 -0.002 0.000 0.204 282 K C 1.636 178.236 176.600 0.001 0.000 1.050 282 K CA 1.597 57.968 56.287 0.140 0.000 0.942 282 K CB -0.236 32.399 32.500 0.225 0.000 0.724 282 K HN 0.281 nan 8.250 nan 0.000 0.446 283 A N 0.479 123.290 122.820 -0.015 0.000 1.929 283 A HA 0.016 4.335 4.320 -0.002 0.000 0.216 283 A C 2.025 179.561 177.584 -0.079 0.000 1.176 283 A CA 1.105 53.126 52.037 -0.027 0.000 0.628 283 A CB -0.521 18.549 19.000 0.115 0.000 0.816 283 A HN 0.303 nan 8.150 nan 0.000 0.444 284 L N -0.356 120.844 121.223 -0.039 0.000 2.549 284 L HA -0.108 4.231 4.340 -0.002 0.000 0.229 284 L C 2.080 178.910 176.870 -0.068 0.000 1.158 284 L CA 0.727 55.539 54.840 -0.047 0.000 0.842 284 L CB -0.413 41.605 42.059 -0.068 0.000 0.952 284 L HN 0.499 nan 8.230 nan 0.000 0.452 285 E N -0.056 120.101 120.200 -0.071 0.000 2.285 285 E HA -0.078 4.270 4.350 -0.002 0.000 0.194 285 E C 1.989 178.523 176.600 -0.111 0.000 0.997 285 E CA 0.733 57.113 56.400 -0.033 0.000 0.845 285 E CB 0.250 29.972 29.700 0.037 0.000 0.782 285 E HN 0.536 nan 8.360 nan 0.000 0.491 286 L N -1.008 119.988 121.223 -0.377 0.000 2.467 286 L HA 0.213 4.551 4.340 -0.002 0.000 0.213 286 L C 0.428 176.955 176.870 -0.571 0.000 1.053 286 L CA 0.071 54.510 54.840 -0.669 0.000 0.847 286 L CB 0.261 41.310 42.059 -1.684 0.000 1.075 286 L HN -0.056 nan 8.230 nan 0.000 0.479 287 F N -2.151 117.784 119.950 -0.025 0.000 2.556 287 F HA 0.359 4.884 4.527 -0.003 0.000 0.327 287 F C 1.003 176.757 175.800 -0.077 0.000 1.059 287 F CA -0.860 57.167 58.000 0.044 0.000 0.953 287 F CB 1.116 40.158 39.000 0.071 0.000 1.227 287 F HN -0.190 nan 8.300 nan 0.000 0.478 288 H N 0.091 119.409 119.070 0.413 0.000 2.547 288 H HA 0.390 4.944 4.556 -0.003 0.000 0.272 288 H C -0.391 175.070 175.328 0.222 0.000 0.971 288 H CA 0.507 56.709 56.048 0.257 0.000 1.245 288 H CB 0.646 30.535 29.762 0.211 0.000 1.440 288 H HN 0.234 nan 8.280 nan 0.000 0.540 289 L N 0.810 122.246 121.223 0.355 0.000 2.455 289 L HA 0.464 4.803 4.340 -0.002 0.000 0.264 289 L C -1.448 175.522 176.870 0.168 0.000 0.968 289 L CA -0.975 54.004 54.840 0.232 0.000 0.827 289 L CB 2.663 44.868 42.059 0.244 0.000 1.317 289 L HN -0.168 nan 8.230 nan 0.000 0.407 290 V N 4.286 124.262 119.914 0.103 0.000 2.349 290 V HA 0.408 4.526 4.120 -0.002 0.000 0.284 290 V C 0.061 176.192 176.094 0.062 0.000 1.014 290 V CA -0.623 61.709 62.300 0.052 0.000 0.826 290 V CB 1.462 33.332 31.823 0.078 0.000 1.009 290 V HN 0.735 nan 8.190 nan 0.000 0.431 291 R N 5.152 125.674 120.500 0.036 0.000 2.490 291 R HA 0.568 4.907 4.340 -0.002 0.000 0.280 291 R C -1.065 175.315 176.300 0.133 0.000 1.077 291 R CA -0.264 55.890 56.100 0.090 0.000 1.065 291 R CB 0.718 31.070 30.300 0.088 0.000 1.003 291 R HN 0.676 nan 8.270 nan 0.000 0.470 292 I N 3.537 124.236 120.570 0.215 0.000 2.410 292 I HA 0.145 4.314 4.170 -0.002 0.000 0.286 292 I C -0.651 175.631 176.117 0.274 0.000 1.009 292 I CA -0.887 60.584 61.300 0.284 0.000 1.111 292 I CB 1.892 40.156 38.000 0.439 0.000 1.262 292 I HN 0.670 nan 8.210 nan 0.000 0.443 293 D N 4.108 124.652 120.400 0.240 0.000 2.443 293 D HA 0.033 4.672 4.640 -0.002 0.000 0.239 293 D C 0.413 176.860 176.300 0.245 0.000 1.136 293 D CA 1.097 55.225 54.000 0.214 0.000 0.879 293 D CB 0.263 41.168 40.800 0.175 0.000 1.195 293 D HN 0.524 nan 8.370 nan 0.000 0.443 294 H N 1.982 121.136 119.070 0.140 0.000 2.750 294 H HA -0.252 4.303 4.556 -0.002 0.000 0.327 294 H C 0.430 175.828 175.328 0.116 0.000 1.199 294 H CA 0.173 56.331 56.048 0.183 0.000 1.149 294 H CB -1.621 28.282 29.762 0.234 0.000 1.543 294 H HN 0.518 nan 8.280 nan 0.000 0.427 295 F N 1.774 121.714 119.950 -0.018 0.000 2.161 295 F HA -0.231 4.294 4.527 -0.003 0.000 0.300 295 F C 2.626 178.376 175.800 -0.084 0.000 1.089 295 F CA 2.116 60.122 58.000 0.011 0.000 1.282 295 F CB -0.257 38.818 39.000 0.125 0.000 1.010 295 F HN 0.563 nan 8.300 nan 0.000 0.485 296 R N 0.423 120.863 120.500 -0.101 0.000 2.185 296 R HA -0.157 4.182 4.340 -0.002 0.000 0.247 296 R C 2.225 178.379 176.300 -0.242 0.000 1.159 296 R CA 1.658 57.661 56.100 -0.162 0.000 0.988 296 R CB -1.684 28.554 30.300 -0.103 0.000 0.871 296 R HN 0.379 nan 8.270 nan 0.000 0.458 297 G N 0.022 108.585 108.800 -0.394 0.000 2.479 297 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.220 297 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.220 297 G C 1.063 175.892 174.900 -0.118 0.000 1.115 297 G CA 0.556 45.602 45.100 -0.090 0.000 0.757 297 G HN 0.417 nan 8.290 nan 0.000 0.560 298 F N 0.103 119.870 119.950 -0.307 0.000 2.407 298 F HA 0.092 4.618 4.527 -0.001 0.000 0.299 298 F C 2.598 178.173 175.800 -0.374 0.000 1.097 298 F CA 0.875 58.613 58.000 -0.437 0.000 1.422 298 F CB 0.304 38.950 39.000 -0.589 0.000 1.067 298 F HN 0.146 nan 8.300 nan 0.000 0.539 299 E N 0.932 121.057 120.200 -0.125 0.000 2.057 299 E HA 0.158 4.507 4.350 -0.002 0.000 0.190 299 E C 0.214 176.787 176.600 -0.046 0.000 0.969 299 E CA 0.941 57.277 56.400 -0.106 0.000 0.812 299 E CB 0.356 29.989 29.700 -0.111 0.000 0.777 299 E HN 0.180 nan 8.360 nan 0.000 0.455 300 A N -0.421 122.432 122.820 0.055 0.000 2.597 300 A HA 0.527 4.845 4.320 -0.002 0.000 0.292 300 A C -1.783 176.129 177.584 0.546 0.000 1.057 300 A CA -0.672 51.474 52.037 0.181 0.000 0.674 300 A CB 0.556 19.577 19.000 0.036 0.000 1.278 300 A HN 0.269 nan 8.150 nan 0.000 0.416 301 Y N -1.623 119.057 120.300 0.634 0.000 2.545 301 Y HA 0.750 5.299 4.550 -0.003 0.000 0.348 301 Y C -0.588 175.587 175.900 0.458 0.000 1.002 301 Y CA -1.599 56.920 58.100 0.698 0.000 1.039 301 Y CB 1.311 40.193 38.460 0.703 0.000 1.271 301 Y HN 0.821 nan 8.280 nan 0.000 0.467 302 W N 5.077 126.364 121.300 -0.021 0.000 2.416 302 W HA 0.292 4.951 4.660 -0.003 0.000 0.318 302 W C -0.836 175.573 176.519 -0.184 0.000 1.150 302 W CA -0.281 56.746 57.345 -0.529 0.000 1.392 302 W CB 1.084 30.026 29.460 -0.864 0.000 1.311 302 W HN 0.896 nan 8.180 nan 0.000 0.436 303 E N 6.571 126.485 120.200 -0.477 0.000 2.194 303 E HA 0.259 4.608 4.350 -0.002 0.000 0.284 303 E C -0.947 175.313 176.600 -0.566 0.000 1.035 303 E CA -0.307 55.896 56.400 -0.328 0.000 0.836 303 E CB 0.667 30.242 29.700 -0.209 0.000 1.070 303 E HN 0.473 nan 8.360 nan 0.000 0.401 304 I N 6.506 126.864 120.570 -0.353 0.000 2.378 304 I HA 0.290 4.459 4.170 -0.002 0.000 0.291 304 I C -2.222 173.786 176.117 -0.182 0.000 0.992 304 I CA -2.821 58.309 61.300 -0.284 0.000 1.154 304 I CB 1.794 39.705 38.000 -0.148 0.000 1.315 304 I HN 0.388 nan 8.210 nan 0.000 0.448 305 P HA -0.003 nan 4.420 nan 0.000 0.263 305 P C 0.510 177.764 177.300 -0.077 0.000 1.195 305 P CA 0.115 63.150 63.100 -0.109 0.000 0.762 305 P CB 0.969 32.612 31.700 -0.095 0.000 0.799 306 A N 3.768 126.550 122.820 -0.062 0.000 1.986 306 A HA -0.220 4.099 4.320 -0.002 0.000 0.220 306 A C 2.049 179.610 177.584 -0.038 0.000 1.171 306 A CA 2.335 54.344 52.037 -0.047 0.000 0.640 306 A CB -1.521 17.456 19.000 -0.038 0.000 0.811 306 A HN 0.590 nan 8.150 nan 0.000 0.451 307 S N -1.955 113.723 115.700 -0.037 0.000 2.515 307 S HA -0.029 4.440 4.470 -0.002 0.000 0.231 307 S C 0.830 175.414 174.600 -0.026 0.000 0.987 307 S CA 0.430 58.612 58.200 -0.029 0.000 0.936 307 S CB -1.363 61.821 63.200 -0.027 0.000 0.766 307 S HN 0.591 nan 8.310 nan 0.000 0.528 308 C N 4.220 123.502 119.300 -0.031 0.000 2.514 308 C HA 0.499 4.957 4.460 -0.002 0.000 0.392 308 C C -0.726 174.257 174.990 -0.012 0.000 1.294 308 C CA -1.891 57.114 59.018 -0.022 0.000 1.957 308 C CB 1.057 28.780 27.740 -0.029 0.000 2.541 308 C HN 0.382 nan 8.230 nan 0.000 0.569 309 P HA 0.041 nan 4.420 nan 0.000 0.227 309 P C 0.533 177.839 177.300 0.011 0.000 1.161 309 P CA 1.093 64.194 63.100 0.003 0.000 0.788 309 P CB 0.103 31.805 31.700 0.003 0.000 0.822 310 T N -3.858 110.703 114.554 0.013 0.000 2.644 310 T HA 0.700 5.048 4.350 -0.002 0.000 0.253 310 T C 0.923 175.641 174.700 0.030 0.000 0.910 310 T CA -0.072 62.040 62.100 0.020 0.000 1.066 310 T CB 0.871 69.751 68.868 0.021 0.000 1.484 310 T HN -0.131 nan 8.240 nan 0.000 0.560 311 A N -0.275 122.574 122.820 0.048 0.000 2.431 311 A HA 0.531 4.850 4.320 -0.002 0.000 0.239 311 A C 1.922 179.660 177.584 0.256 0.000 1.230 311 A CA -0.016 52.104 52.037 0.138 0.000 0.928 311 A CB -0.534 18.490 19.000 0.040 0.000 1.006 311 A HN 0.560 nan 8.150 nan 0.000 0.520 312 V N 0.663 120.655 119.914 0.131 0.000 2.392 312 V HA -0.262 3.856 4.120 -0.002 0.000 0.249 312 V C 2.067 178.267 176.094 0.177 0.000 1.059 312 V CA 2.334 64.717 62.300 0.139 0.000 1.051 312 V CB -0.701 31.161 31.823 0.064 0.000 0.658 312 V HN 0.659 nan 8.190 nan 0.000 0.455 313 E N 0.330 120.583 120.200 0.088 0.000 2.511 313 E HA 0.096 4.445 4.350 -0.002 0.000 0.196 313 E C 1.466 177.990 176.600 -0.126 0.000 1.066 313 E CA 0.300 56.701 56.400 0.002 0.000 0.871 313 E CB -0.137 29.543 29.700 -0.034 0.000 0.863 313 E HN 0.679 nan 8.360 nan 0.000 0.520 314 G N 1.908 110.597 108.800 -0.185 0.000 2.590 314 G HA2 0.180 4.138 3.960 -0.002 0.000 0.276 314 G HA3 0.180 4.138 3.960 -0.002 0.000 0.276 314 G C 0.013 174.071 174.900 -1.403 0.000 1.337 314 G CA -0.376 44.136 45.100 -0.980 0.000 1.030 314 G HN 0.237 nan 8.290 nan 0.000 0.534 315 R N -2.641 116.688 120.500 -1.953 0.000 2.664 315 R HA 0.268 4.607 4.340 -0.002 0.000 0.266 315 R C -1.896 173.868 176.300 -0.893 0.000 1.046 315 R CA -1.074 54.326 56.100 -1.166 0.000 0.885 315 R CB 0.697 30.701 30.300 -0.493 0.000 1.254 315 R HN 0.498 nan 8.270 nan 0.000 0.465 316 W N 1.552 122.723 121.300 -0.214 0.000 2.218 316 W HA 0.511 5.170 4.660 -0.001 0.000 0.326 316 W C -0.320 176.073 176.519 -0.209 0.000 1.276 316 W CA -0.288 57.026 57.345 -0.053 0.000 1.210 316 W CB 1.656 31.184 29.460 0.113 0.000 1.143 316 W HN 0.205 nan 8.180 nan 0.000 0.563 317 V N 3.631 123.511 119.914 -0.057 0.000 2.569 317 V HA 0.183 4.302 4.120 -0.002 0.000 0.301 317 V C -0.153 175.783 176.094 -0.263 0.000 1.044 317 V CA -1.493 60.636 62.300 -0.284 0.000 0.874 317 V CB 1.409 32.866 31.823 -0.610 0.000 1.002 317 V HN 0.298 nan 8.190 nan 0.000 0.424 318 K N 3.247 123.600 120.400 -0.079 0.000 2.382 318 K HA 0.631 4.949 4.320 -0.002 0.000 0.275 318 K C -0.025 176.573 176.600 -0.004 0.000 1.009 318 K CA 0.440 56.706 56.287 -0.035 0.000 0.970 318 K CB 1.026 33.516 32.500 -0.017 0.000 0.934 318 K HN 0.933 nan 8.250 nan 0.000 0.479 319 A N 4.907 127.697 122.820 -0.051 0.000 2.356 319 A HA 0.536 4.855 4.320 -0.002 0.000 0.323 319 A C -2.293 175.090 177.584 -0.335 0.000 1.119 319 A CA -1.633 50.231 52.037 -0.287 0.000 0.790 319 A CB 0.992 19.743 19.000 -0.415 0.000 1.273 319 A HN 0.721 nan 8.150 nan 0.000 0.452 320 P HA 0.065 nan 4.420 nan 0.000 0.238 320 P C 1.095 178.208 177.300 -0.311 0.000 1.714 320 P CA 0.539 63.522 63.100 -0.194 0.000 0.908 320 P CB -0.217 31.534 31.700 0.085 0.000 1.893 321 G N 2.077 110.697 108.800 -0.300 0.000 2.491 321 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.218 321 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.218 321 G C 1.363 176.159 174.900 -0.174 0.000 1.180 321 G CA 0.718 45.667 45.100 -0.251 0.000 0.774 321 G HN 0.243 nan 8.290 nan 0.000 0.562 322 E N 0.765 120.920 120.200 -0.074 0.000 2.049 322 E HA -0.094 4.255 4.350 -0.002 0.000 0.198 322 E C 2.535 179.151 176.600 0.027 0.000 1.007 322 E CA 1.380 57.823 56.400 0.072 0.000 0.809 322 E CB -0.200 29.579 29.700 0.132 0.000 0.749 322 E HN 0.462 nan 8.360 nan 0.000 0.450 323 K N 0.059 120.459 120.400 -0.001 0.000 2.009 323 K HA -0.169 4.150 4.320 -0.002 0.000 0.210 323 K C 2.158 178.623 176.600 -0.224 0.000 1.049 323 K CA 1.276 57.591 56.287 0.046 0.000 0.929 323 K CB -0.429 32.225 32.500 0.257 0.000 0.714 323 K HN 0.036 nan 8.250 nan 0.000 0.440 324 L N 0.821 121.602 121.223 -0.737 0.000 1.971 324 L HA -0.190 4.149 4.340 -0.002 0.000 0.215 324 L C 2.001 178.333 176.870 -0.897 0.000 1.072 324 L CA 1.816 55.837 54.840 -1.366 0.000 0.758 324 L CB -0.642 40.519 42.059 -1.497 0.000 0.889 324 L HN 0.064 nan 8.230 nan 0.000 0.433 325 F N -0.158 119.307 119.950 -0.808 0.000 2.234 325 F HA -0.089 4.436 4.527 -0.002 0.000 0.299 325 F C 2.462 178.041 175.800 -0.369 0.000 1.087 325 F CA 1.132 58.651 58.000 -0.803 0.000 1.340 325 F CB -1.048 37.012 39.000 -1.566 0.000 1.031 325 F HN 0.236 nan 8.300 nan 0.000 0.500 326 A N 0.066 122.889 122.820 0.004 0.000 1.902 326 A HA -0.216 4.103 4.320 -0.002 0.000 0.217 326 A C 2.192 179.823 177.584 0.079 0.000 1.181 326 A CA 1.795 53.953 52.037 0.202 0.000 0.623 326 A CB -0.617 18.503 19.000 0.200 0.000 0.818 326 A HN 0.256 nan 8.150 nan 0.000 0.443 327 R N 0.266 120.760 120.500 -0.010 0.000 2.081 327 R HA -0.012 4.326 4.340 -0.002 0.000 0.235 327 R C 1.761 178.051 176.300 -0.015 0.000 1.131 327 R CA 1.790 57.896 56.100 0.011 0.000 0.960 327 R CB -0.754 29.586 30.300 0.066 0.000 0.856 327 R HN 0.556 nan 8.270 nan 0.000 0.436 328 I N 0.379 120.900 120.570 -0.081 0.000 2.179 328 I HA -0.283 3.886 4.170 -0.002 0.000 0.242 328 I C 2.364 178.579 176.117 0.163 0.000 1.088 328 I CA 1.527 62.853 61.300 0.044 0.000 1.357 328 I CB -0.400 37.521 38.000 -0.132 0.000 1.051 328 I HN 0.289 nan 8.210 nan 0.000 0.409 329 Q N 1.773 121.649 119.800 0.126 0.000 2.112 329 Q HA -0.281 4.058 4.340 -0.002 0.000 0.206 329 Q C 1.899 177.969 176.000 0.117 0.000 0.987 329 Q CA 2.504 58.406 55.803 0.164 0.000 0.858 329 Q CB -0.296 28.562 28.738 0.201 0.000 0.905 329 Q HN 0.711 nan 8.270 nan 0.000 0.420 330 E N -1.123 119.118 120.200 0.069 0.000 2.112 330 E HA -0.051 4.298 4.350 -0.002 0.000 0.190 330 E C 1.907 178.481 176.600 -0.043 0.000 0.979 330 E CA 0.865 57.279 56.400 0.023 0.000 0.814 330 E CB -0.453 29.257 29.700 0.017 0.000 0.762 330 E HN 0.337 nan 8.360 nan 0.000 0.460 331 A N 0.784 123.538 122.820 -0.110 0.000 1.902 331 A HA -0.068 4.250 4.320 -0.002 0.000 0.217 331 A C 1.619 178.890 177.584 -0.523 0.000 1.181 331 A CA 1.240 53.058 52.037 -0.365 0.000 0.623 331 A CB -0.630 18.047 19.000 -0.538 0.000 0.818 331 A HN 0.373 nan 8.150 nan 0.000 0.443 332 F N -1.661 118.296 119.950 0.012 0.000 2.704 332 F HA 0.386 4.911 4.527 -0.003 0.000 0.304 332 F C 1.818 177.638 175.800 0.032 0.000 1.094 332 F CA 0.460 58.473 58.000 0.023 0.000 1.275 332 F CB 0.304 39.320 39.000 0.026 0.000 1.073 332 F HN 0.359 nan 8.300 nan 0.000 0.586 333 G N 1.648 110.542 108.800 0.156 0.000 2.168 333 G HA2 -0.310 3.648 3.960 -0.002 0.000 0.263 333 G HA3 -0.310 3.648 3.960 -0.002 0.000 0.263 333 G C 0.315 175.296 174.900 0.135 0.000 0.977 333 G CA 0.519 45.689 45.100 0.117 0.000 0.659 333 G HN 0.582 nan 8.290 nan 0.000 0.533 334 R N -1.757 118.853 120.500 0.182 0.000 2.780 334 R HA 0.650 4.989 4.340 -0.002 0.000 0.280 334 R C -1.497 174.897 176.300 0.158 0.000 1.016 334 R CA -1.165 55.024 56.100 0.149 0.000 0.854 334 R CB 0.472 30.846 30.300 0.122 0.000 1.293 334 R HN 0.347 nan 8.270 nan 0.000 0.483 335 I N 1.629 122.270 120.570 0.119 0.000 2.595 335 I HA 0.298 4.467 4.170 -0.002 0.000 0.275 335 I C -1.993 174.158 176.117 0.057 0.000 1.092 335 I CA -1.895 59.462 61.300 0.094 0.000 1.145 335 I CB 2.113 40.212 38.000 0.165 0.000 1.276 335 I HN 0.461 nan 8.210 nan 0.000 0.497 336 P HA 0.195 nan 4.420 nan 0.000 0.237 336 P C -0.187 177.132 177.300 0.032 0.000 1.723 336 P CA 0.177 63.294 63.100 0.028 0.000 0.882 336 P CB -0.007 31.701 31.700 0.012 0.000 1.810 337 I N 0.841 121.442 120.570 0.050 0.000 2.577 337 I HA 0.354 4.523 4.170 -0.002 0.000 0.305 337 I C 0.494 176.645 176.117 0.057 0.000 0.986 337 I CA -1.260 60.088 61.300 0.080 0.000 1.189 337 I CB 2.077 40.172 38.000 0.158 0.000 1.355 337 I HN 0.053 nan 8.210 nan 0.000 0.476 338 L N 4.352 125.614 121.223 0.065 0.000 2.342 338 L HA 0.585 4.924 4.340 -0.002 0.000 0.276 338 L C -0.151 176.725 176.870 0.009 0.000 0.997 338 L CA -0.629 54.224 54.840 0.023 0.000 0.838 338 L CB 1.503 43.595 42.059 0.055 0.000 1.224 338 L HN 0.734 nan 8.230 nan 0.000 0.416 339 A N 4.444 127.170 122.820 -0.156 0.000 2.347 339 A HA 0.191 4.510 4.320 -0.002 0.000 0.287 339 A C 0.139 177.663 177.584 -0.099 0.000 1.199 339 A CA -0.312 51.539 52.037 -0.310 0.000 0.851 339 A CB 0.250 18.578 19.000 -1.121 0.000 1.118 339 A HN 0.696 nan 8.150 nan 0.000 0.525 340 E N 3.384 123.636 120.200 0.087 0.000 1.932 340 E HA 0.060 4.409 4.350 -0.002 0.000 0.275 340 E C -0.916 175.778 176.600 0.157 0.000 1.159 340 E CA -0.239 56.230 56.400 0.115 0.000 0.905 340 E CB 0.371 30.160 29.700 0.148 0.000 1.059 340 E HN 0.629 nan 8.360 nan 0.000 0.400 341 D N 4.754 125.218 120.400 0.105 0.000 2.894 341 D HA 0.153 4.792 4.640 -0.002 0.000 0.273 341 D C 0.517 176.926 176.300 0.181 0.000 1.328 341 D CA -0.368 53.715 54.000 0.139 0.000 0.845 341 D CB -0.271 40.561 40.800 0.052 0.000 1.072 341 D HN 0.244 nan 8.370 nan 0.000 0.484 342 L N -0.036 121.311 121.223 0.207 0.000 2.488 342 L HA 0.632 4.970 4.340 -0.002 0.000 0.249 342 L C 1.436 178.452 176.870 0.244 0.000 1.151 342 L CA 0.014 55.015 54.840 0.268 0.000 0.806 342 L CB 0.284 42.472 42.059 0.215 0.000 1.261 342 L HN 0.385 nan 8.230 nan 0.000 0.484 343 G N -0.559 108.378 108.800 0.229 0.000 2.693 343 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.226 343 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.226 343 G C -0.606 174.409 174.900 0.191 0.000 1.354 343 G CA -0.596 44.623 45.100 0.198 0.000 0.873 343 G HN 0.477 nan 8.290 nan 0.000 0.562 344 V N 1.637 121.663 119.914 0.187 0.000 2.377 344 V HA 0.376 4.495 4.120 -0.002 0.000 0.254 344 V C 1.259 177.422 176.094 0.116 0.000 1.060 344 V CA 0.892 63.273 62.300 0.136 0.000 1.068 344 V CB -0.982 30.919 31.823 0.130 0.000 1.113 344 V HN 0.818 nan 8.190 nan 0.000 0.484 345 I N 2.493 123.109 120.570 0.076 0.000 2.676 345 I HA 0.871 5.040 4.170 -0.002 0.000 0.309 345 I C 0.486 176.597 176.117 -0.009 0.000 0.990 345 I CA -0.384 60.943 61.300 0.045 0.000 1.168 345 I CB 2.114 40.148 38.000 0.057 0.000 1.343 345 I HN 0.514 nan 8.210 nan 0.000 0.482 346 T N -0.003 114.526 114.554 -0.042 0.000 2.938 346 T HA 0.533 4.881 4.350 -0.002 0.000 0.285 346 T C -2.187 172.479 174.700 -0.057 0.000 1.028 346 T CA -1.927 60.129 62.100 -0.074 0.000 1.005 346 T CB 1.623 70.406 68.868 -0.143 0.000 1.157 346 T HN 0.413 nan 8.240 nan 0.000 0.550 347 P HA 0.018 nan 4.420 nan 0.000 0.220 347 P C 1.026 178.300 177.300 -0.043 0.000 1.148 347 P CA 0.832 63.904 63.100 -0.046 0.000 0.803 347 P CB 0.076 31.747 31.700 -0.047 0.000 0.782 348 E N -0.812 119.350 120.200 -0.063 0.000 2.072 348 E HA -0.103 4.246 4.350 -0.002 0.000 0.191 348 E C 1.981 178.560 176.600 -0.034 0.000 0.985 348 E CA 0.887 57.251 56.400 -0.061 0.000 0.801 348 E CB -1.156 28.484 29.700 -0.099 0.000 0.750 348 E HN 0.018 nan 8.360 nan 0.000 0.452 349 V N 1.374 121.271 119.914 -0.027 0.000 2.358 349 V HA -0.247 3.872 4.120 -0.002 0.000 0.246 349 V C 1.954 178.102 176.094 0.090 0.000 1.047 349 V CA 1.921 64.249 62.300 0.047 0.000 1.035 349 V CB -0.477 31.384 31.823 0.063 0.000 0.658 349 V HN 0.270 nan 8.190 nan 0.000 0.452 350 E N 0.494 120.714 120.200 0.032 0.000 2.110 350 E HA -0.184 4.165 4.350 -0.002 0.000 0.193 350 E C 2.359 178.964 176.600 0.009 0.000 0.988 350 E CA 1.249 57.657 56.400 0.014 0.000 0.804 350 E CB -0.341 29.354 29.700 -0.008 0.000 0.745 350 E HN 0.598 nan 8.360 nan 0.000 0.458 351 A N 1.625 124.446 122.820 0.003 0.000 1.883 351 A HA -0.200 4.119 4.320 -0.002 0.000 0.217 351 A C 2.222 179.816 177.584 0.017 0.000 1.186 351 A CA 1.318 53.352 52.037 -0.005 0.000 0.624 351 A CB -0.633 18.358 19.000 -0.015 0.000 0.822 351 A HN 0.236 nan 8.150 nan 0.000 0.444 352 L N -0.076 121.173 121.223 0.043 0.000 2.017 352 L HA -0.136 4.202 4.340 -0.002 0.000 0.208 352 L C 2.484 179.412 176.870 0.097 0.000 1.073 352 L CA 2.538 57.423 54.840 0.076 0.000 0.745 352 L CB -0.666 41.398 42.059 0.008 0.000 0.894 352 L HN 0.490 nan 8.230 nan 0.000 0.432 353 R N -0.506 120.046 120.500 0.087 0.000 2.080 353 R HA -0.191 4.147 4.340 -0.002 0.000 0.236 353 R C 1.919 178.173 176.300 -0.077 0.000 1.137 353 R CA 2.178 58.228 56.100 -0.083 0.000 0.943 353 R CB -0.520 29.660 30.300 -0.201 0.000 0.846 353 R HN 0.476 nan 8.270 nan 0.000 0.431 354 D N 0.015 120.385 120.400 -0.050 0.000 2.097 354 D HA -0.184 4.455 4.640 -0.002 0.000 0.197 354 D C 1.953 178.200 176.300 -0.088 0.000 0.984 354 D CA 1.019 54.976 54.000 -0.072 0.000 0.826 354 D CB -0.407 40.364 40.800 -0.047 0.000 0.973 354 D HN 0.294 nan 8.370 nan 0.000 0.460 355 R N -0.039 120.416 120.500 -0.075 0.000 2.185 355 R HA -0.165 4.174 4.340 -0.002 0.000 0.247 355 R C 1.087 177.151 176.300 -0.394 0.000 1.159 355 R CA 1.177 57.153 56.100 -0.207 0.000 0.988 355 R CB -0.232 29.958 30.300 -0.184 0.000 0.871 355 R HN 0.134 nan 8.270 nan 0.000 0.458 356 F N -0.638 119.219 119.950 -0.155 0.000 2.639 356 F HA 0.351 4.879 4.527 0.002 0.000 0.302 356 F C 1.357 177.081 175.800 -0.126 0.000 1.097 356 F CA 0.338 58.255 58.000 -0.138 0.000 1.294 356 F CB 1.136 40.020 39.000 -0.194 0.000 1.027 356 F HN 0.225 nan 8.300 nan 0.000 0.550 357 G N 1.226 109.999 108.800 -0.045 0.000 2.187 357 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.261 357 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.261 357 G C 0.252 175.102 174.900 -0.082 0.000 1.000 357 G CA -0.039 45.005 45.100 -0.092 0.000 0.718 357 G HN 0.314 nan 8.290 nan 0.000 0.519 358 L N 1.760 122.932 121.223 -0.085 0.000 2.367 358 L HA 0.345 4.683 4.340 -0.002 0.000 0.275 358 L C -1.249 175.529 176.870 -0.153 0.000 1.129 358 L CA -1.842 52.924 54.840 -0.124 0.000 0.839 358 L CB 0.563 42.490 42.059 -0.221 0.000 1.133 358 L HN 0.013 nan 8.230 nan 0.000 0.453 359 P HA 0.140 nan 4.420 nan 0.000 0.280 359 P C -0.190 177.039 177.300 -0.120 0.000 1.244 359 P CA -0.147 62.899 63.100 -0.089 0.000 0.784 359 P CB 1.451 33.114 31.700 -0.061 0.000 0.913 360 G N 2.482 111.224 108.800 -0.096 0.000 2.568 360 G HA2 0.642 4.601 3.960 -0.002 0.000 0.293 360 G HA3 0.642 4.601 3.960 -0.002 0.000 0.293 360 G C -0.697 174.185 174.900 -0.031 0.000 1.347 360 G CA -0.870 44.175 45.100 -0.092 0.000 1.039 360 G HN 0.431 nan 8.290 nan 0.000 0.523 361 M N -0.385 119.229 119.600 0.025 0.000 2.662 361 M HA 0.496 4.974 4.480 -0.002 0.000 0.310 361 M C -0.849 175.526 176.300 0.126 0.000 1.204 361 M CA -0.803 54.554 55.300 0.095 0.000 0.891 361 M CB 2.626 35.299 32.600 0.123 0.000 1.732 361 M HN 0.140 nan 8.290 nan 0.000 0.467 362 K N 1.807 122.268 120.400 0.101 0.000 2.507 362 K HA 0.591 4.909 4.320 -0.002 0.000 0.251 362 K C -1.737 174.843 176.600 -0.033 0.000 0.943 362 K CA -0.567 55.797 56.287 0.130 0.000 0.794 362 K CB 2.354 34.731 32.500 -0.204 0.000 1.188 362 K HN 0.459 nan 8.250 nan 0.000 0.428 363 V N 5.113 124.760 119.914 -0.444 0.000 2.350 363 V HA 0.218 4.337 4.120 -0.002 0.000 0.285 363 V C 1.566 177.297 176.094 -0.604 0.000 1.014 363 V CA -0.516 61.421 62.300 -0.605 0.000 0.831 363 V CB 1.247 32.473 31.823 -0.995 0.000 1.000 363 V HN 0.694 nan 8.190 nan 0.000 0.433 364 L N 2.708 123.723 121.223 -0.346 0.000 2.187 364 L HA -0.186 4.152 4.340 -0.002 0.000 0.213 364 L C 2.325 178.968 176.870 -0.380 0.000 1.100 364 L CA 1.502 56.193 54.840 -0.249 0.000 0.765 364 L CB -0.218 41.769 42.059 -0.120 0.000 0.904 364 L HN 0.719 nan 8.230 nan 0.000 0.437 365 Q N -0.656 118.668 119.800 -0.794 0.000 2.364 365 Q HA -0.116 4.222 4.340 -0.002 0.000 0.209 365 Q C 1.655 177.345 176.000 -0.516 0.000 0.977 365 Q CA 1.190 56.241 55.803 -1.253 0.000 0.885 365 Q CB 0.066 27.891 28.738 -1.522 0.000 0.941 365 Q HN 0.579 nan 8.270 nan 0.000 0.464 366 F N -1.792 117.955 119.950 -0.338 0.000 2.695 366 F HA 0.262 4.788 4.527 -0.003 0.000 0.303 366 F C 1.709 177.570 175.800 0.100 0.000 1.091 366 F CA -0.461 57.475 58.000 -0.106 0.000 1.300 366 F CB 0.473 39.278 39.000 -0.325 0.000 1.071 366 F HN 0.003 nan 8.300 nan 0.000 0.578 367 A N -0.512 122.358 122.820 0.083 0.000 2.238 367 A HA 0.105 4.424 4.320 -0.002 0.000 0.208 367 A C 0.804 178.129 177.584 -0.433 0.000 1.177 367 A CA 0.605 52.512 52.037 -0.216 0.000 0.804 367 A CB -0.749 17.866 19.000 -0.640 0.000 0.823 367 A HN 0.390 nan 8.150 nan 0.000 0.482 368 F N -0.209 119.937 119.950 0.328 0.000 2.683 368 F HA 0.145 4.671 4.527 -0.002 0.000 0.306 368 F C 1.000 177.180 175.800 0.633 0.000 1.102 368 F CA -0.401 57.893 58.000 0.489 0.000 1.244 368 F CB 0.569 39.773 39.000 0.340 0.000 1.029 368 F HN 0.287 nan 8.300 nan 0.000 0.545 369 D N -1.086 119.692 120.400 0.630 0.000 2.325 369 D HA 0.062 4.701 4.640 -0.002 0.000 0.225 369 D C 0.569 177.108 176.300 0.399 0.000 1.096 369 D CA 0.431 54.759 54.000 0.547 0.000 0.844 369 D CB 0.016 41.073 40.800 0.428 0.000 0.925 369 D HN 0.364 nan 8.370 nan 0.000 0.513 370 N N -0.909 118.042 118.700 0.418 0.000 3.528 370 N HA 0.468 5.207 4.740 -0.002 0.000 0.295 370 N C -0.209 175.379 175.510 0.129 0.000 1.444 370 N CA -0.006 53.167 53.050 0.205 0.000 0.717 370 N CB 0.869 39.442 38.487 0.143 0.000 3.262 370 N HN 0.001 nan 8.380 nan 0.000 0.480 371 G N -0.600 108.239 108.800 0.064 0.000 3.016 371 G HA2 0.334 4.293 3.960 -0.002 0.000 0.270 371 G HA3 0.334 4.293 3.960 -0.002 0.000 0.270 371 G C 0.345 175.352 174.900 0.177 0.000 1.352 371 G CA -0.354 44.733 45.100 -0.021 0.000 1.060 371 G HN 0.382 nan 8.290 nan 0.000 0.538 372 M N -0.184 119.557 119.600 0.235 0.000 2.530 372 M HA -0.043 4.436 4.480 -0.002 0.000 0.261 372 M C 1.736 178.235 176.300 0.331 0.000 1.067 372 M CA 1.039 56.594 55.300 0.425 0.000 1.071 372 M CB -0.989 31.830 32.600 0.365 0.000 1.405 372 M HN 0.608 nan 8.290 nan 0.000 0.478 373 E N -0.497 119.804 120.200 0.168 0.000 2.489 373 E HA 0.039 4.388 4.350 -0.002 0.000 0.193 373 E C 0.608 177.211 176.600 0.005 0.000 1.057 373 E CA -0.166 56.277 56.400 0.072 0.000 0.866 373 E CB -0.470 29.255 29.700 0.040 0.000 0.916 373 E HN 0.278 nan 8.360 nan 0.000 0.500 374 N N 2.953 121.675 118.700 0.036 0.000 2.414 374 N HA -0.033 4.706 4.740 -0.002 0.000 0.268 374 N C -1.492 173.945 175.510 -0.121 0.000 1.286 374 N CA -1.034 52.008 53.050 -0.012 0.000 0.896 374 N CB 0.904 39.432 38.487 0.068 0.000 1.093 374 N HN -0.034 nan 8.380 nan 0.000 0.480 375 P HA -0.111 nan 4.420 nan 0.000 0.231 375 P C 0.664 177.819 177.300 -0.241 0.000 1.158 375 P CA 1.079 64.003 63.100 -0.294 0.000 0.763 375 P CB -0.101 31.352 31.700 -0.410 0.000 0.805 376 F N -0.853 119.123 119.950 0.044 0.000 2.754 376 F HA 0.164 4.690 4.527 -0.002 0.000 0.297 376 F C 1.516 177.313 175.800 -0.005 0.000 1.122 376 F CA -0.498 57.562 58.000 0.101 0.000 1.400 376 F CB 0.051 39.068 39.000 0.029 0.000 1.117 376 F HN -0.270 nan 8.300 nan 0.000 0.587 377 L N 1.981 123.130 121.223 -0.123 0.000 2.416 377 L HA 0.057 4.395 4.340 -0.002 0.000 0.272 377 L C -1.337 175.219 176.870 -0.523 0.000 1.161 377 L CA -1.578 53.009 54.840 -0.422 0.000 0.845 377 L CB 0.441 42.273 42.059 -0.378 0.000 1.119 377 L HN -0.173 nan 8.230 nan 0.000 0.464 378 P HA -0.232 nan 4.420 nan 0.000 0.217 378 P C 1.266 178.280 177.300 -0.477 0.000 1.151 378 P CA 1.424 63.856 63.100 -1.114 0.000 0.849 378 P CB -0.117 31.213 31.700 -0.616 0.000 0.787 379 H N -2.200 116.903 119.070 0.055 0.000 2.545 379 H HA 0.096 4.650 4.556 -0.002 0.000 0.282 379 H C 0.802 176.162 175.328 0.053 0.000 1.020 379 H CA 0.848 56.985 56.048 0.148 0.000 1.243 379 H CB -0.907 29.002 29.762 0.244 0.000 1.377 379 H HN 0.146 nan 8.280 nan 0.000 0.581 380 N N 0.430 118.870 118.700 -0.433 0.000 2.280 380 N HA -0.037 4.702 4.740 -0.002 0.000 0.192 380 N C -0.387 175.145 175.510 0.036 0.000 1.109 380 N CA -0.076 52.837 53.050 -0.228 0.000 0.855 380 N CB 0.049 38.357 38.487 -0.298 0.000 0.974 380 N HN 0.193 nan 8.380 nan 0.000 0.482 381 Y N 2.606 122.858 120.300 -0.080 0.000 2.511 381 Y HA 0.134 4.682 4.550 -0.003 0.000 0.332 381 Y C -1.460 174.370 175.900 -0.118 0.000 1.177 381 Y CA -2.890 55.163 58.100 -0.078 0.000 1.422 381 Y CB -0.743 37.698 38.460 -0.031 0.000 1.271 381 Y HN 0.016 nan 8.280 nan 0.000 0.550 382 P HA -0.076 nan 4.420 nan 0.000 0.265 382 P C 0.531 177.655 177.300 -0.293 0.000 1.187 382 P CA 0.164 63.097 63.100 -0.279 0.000 0.766 382 P CB 0.896 32.240 31.700 -0.593 0.000 0.820 383 E N 2.126 122.198 120.200 -0.214 0.000 2.118 383 E HA -0.264 4.085 4.350 -0.002 0.000 0.195 383 E C 1.584 178.140 176.600 -0.074 0.000 0.992 383 E CA 1.354 57.699 56.400 -0.092 0.000 0.804 383 E CB -0.345 29.340 29.700 -0.025 0.000 0.741 383 E HN 0.661 nan 8.360 nan 0.000 0.458 384 H N -1.579 117.507 119.070 0.026 0.000 2.545 384 H HA 0.173 4.727 4.556 -0.003 0.000 0.282 384 H C 1.402 176.741 175.328 0.018 0.000 1.020 384 H CA 0.830 56.887 56.048 0.016 0.000 1.243 384 H CB -0.652 29.109 29.762 -0.000 0.000 1.377 384 H HN 0.216 nan 8.280 nan 0.000 0.581 385 G N 0.902 109.679 108.800 -0.038 0.000 2.296 385 G HA2 -0.463 3.496 3.960 -0.002 0.000 0.282 385 G HA3 -0.463 3.496 3.960 -0.002 0.000 0.282 385 G C 0.669 175.640 174.900 0.120 0.000 1.014 385 G CA 0.495 45.620 45.100 0.043 0.000 0.812 385 G HN 0.662 nan 8.290 nan 0.000 0.508 386 R N -0.334 120.375 120.500 0.348 0.000 4.496 386 R HA 0.534 4.873 4.340 -0.002 0.000 0.211 386 R C -0.048 176.303 176.300 0.086 0.000 1.738 386 R CA 0.111 56.330 56.100 0.199 0.000 1.528 386 R CB 0.106 30.481 30.300 0.124 0.000 1.414 386 R HN 0.334 nan 8.270 nan 0.000 0.812 387 V N 1.199 121.107 119.914 -0.010 0.000 3.147 387 V HA 0.473 4.591 4.120 -0.002 0.000 0.306 387 V C -1.355 174.653 176.094 -0.143 0.000 1.209 387 V CA -0.812 61.433 62.300 -0.092 0.000 1.023 387 V CB 2.745 34.461 31.823 -0.178 0.000 1.059 387 V HN 0.018 nan 8.190 nan 0.000 0.435 388 V N 4.828 124.654 119.914 -0.148 0.000 2.357 388 V HA 0.497 4.615 4.120 -0.002 0.000 0.284 388 V C -0.073 175.879 176.094 -0.235 0.000 1.018 388 V CA -0.597 61.567 62.300 -0.227 0.000 0.841 388 V CB 1.427 33.127 31.823 -0.204 0.000 0.991 388 V HN 0.702 nan 8.190 nan 0.000 0.437 389 V N 6.900 126.632 119.914 -0.304 0.000 2.481 389 V HA 0.626 4.745 4.120 -0.002 0.000 0.286 389 V C -1.113 174.802 176.094 -0.298 0.000 1.042 389 V CA -0.028 62.165 62.300 -0.178 0.000 0.928 389 V CB 1.300 33.111 31.823 -0.021 0.000 0.986 389 V HN 0.744 nan 8.190 nan 0.000 0.462 390 Y N 2.766 123.013 120.300 -0.089 0.000 2.570 390 Y HA 0.449 4.998 4.550 -0.002 0.000 0.345 390 Y C 1.373 177.240 175.900 -0.055 0.000 1.014 390 Y CA -0.144 57.926 58.100 -0.050 0.000 1.063 390 Y CB 2.289 40.676 38.460 -0.120 0.000 1.272 390 Y HN 0.699 nan 8.280 nan 0.000 0.477 391 T N -2.058 112.592 114.554 0.160 0.000 2.937 391 T HA 0.447 4.796 4.350 -0.002 0.000 0.260 391 T C 0.692 175.211 174.700 -0.302 0.000 1.051 391 T CA 0.667 62.690 62.100 -0.129 0.000 1.141 391 T CB -0.018 68.711 68.868 -0.231 0.000 0.879 391 T HN 0.873 nan 8.240 nan 0.000 0.459 392 G N 0.572 109.248 108.800 -0.206 0.000 2.632 392 G HA2 0.508 4.466 3.960 -0.002 0.000 0.292 392 G HA3 0.508 4.466 3.960 -0.002 0.000 0.292 392 G C -0.665 174.094 174.900 -0.234 0.000 1.465 392 G CA -0.277 44.610 45.100 -0.355 0.000 0.824 392 G HN 0.435 nan 8.290 nan 0.000 0.509 393 T N -2.318 112.024 114.554 -0.354 0.000 2.892 393 T HA 0.426 4.775 4.350 -0.002 0.000 0.280 393 T C 1.645 176.203 174.700 -0.236 0.000 1.004 393 T CA 0.298 62.217 62.100 -0.302 0.000 0.950 393 T CB 1.019 69.600 68.868 -0.478 0.000 1.309 393 T HN 0.880 nan 8.240 nan 0.000 0.592 394 H N -0.168 118.858 119.070 -0.074 0.000 2.456 394 H HA -0.026 4.529 4.556 -0.002 0.000 0.296 394 H C 0.692 175.949 175.328 -0.118 0.000 1.079 394 H CA 1.400 57.432 56.048 -0.027 0.000 1.322 394 H CB -0.552 29.293 29.762 0.139 0.000 1.388 394 H HN 0.560 nan 8.280 nan 0.000 0.538 395 D N 0.792 120.750 120.400 -0.737 0.000 2.347 395 D HA 0.015 4.653 4.640 -0.002 0.000 0.213 395 D C 0.010 176.114 176.300 -0.327 0.000 0.985 395 D CA 0.152 53.874 54.000 -0.463 0.000 0.879 395 D CB 0.013 40.542 40.800 -0.452 0.000 0.919 395 D HN 0.539 nan 8.370 nan 0.000 0.526 396 N N 0.609 119.110 118.700 -0.333 0.000 2.489 396 N HA 0.120 4.858 4.740 -0.002 0.000 0.284 396 N C -0.196 175.152 175.510 -0.270 0.000 1.158 396 N CA -0.696 52.178 53.050 -0.293 0.000 0.965 396 N CB 1.319 39.582 38.487 -0.374 0.000 1.195 396 N HN -0.186 nan 8.380 nan 0.000 0.506 397 D N -0.114 120.144 120.400 -0.236 0.000 2.363 397 D HA 0.027 4.666 4.640 -0.002 0.000 0.240 397 D C -0.028 176.178 176.300 -0.156 0.000 1.236 397 D CA -0.155 53.726 54.000 -0.198 0.000 0.927 397 D CB 0.562 41.283 40.800 -0.132 0.000 1.150 397 D HN 0.521 nan 8.370 nan 0.000 0.458 398 T N -1.134 113.329 114.554 -0.150 0.000 2.855 398 T HA 0.072 4.421 4.350 -0.002 0.000 0.314 398 T C 1.379 176.038 174.700 -0.069 0.000 1.077 398 T CA -0.153 61.852 62.100 -0.159 0.000 1.095 398 T CB 0.429 69.184 68.868 -0.187 0.000 0.987 398 T HN 0.346 nan 8.240 nan 0.000 0.546 399 T N 1.308 115.805 114.554 -0.095 0.000 2.746 399 T HA -0.096 4.253 4.350 -0.002 0.000 0.267 399 T C 1.817 176.598 174.700 0.136 0.000 1.039 399 T CA 1.298 63.397 62.100 -0.001 0.000 1.142 399 T CB -0.426 68.357 68.868 -0.143 0.000 0.866 399 T HN 0.522 nan 8.240 nan 0.000 0.444 400 L N 1.519 122.753 121.223 0.018 0.000 2.083 400 L HA 0.131 4.470 4.340 -0.002 0.000 0.209 400 L C 2.493 179.412 176.870 0.081 0.000 1.083 400 L CA 1.976 56.842 54.840 0.044 0.000 0.752 400 L CB -1.164 40.887 42.059 -0.013 0.000 0.899 400 L HN 0.267 nan 8.230 nan 0.000 0.433 401 G N -1.404 107.419 108.800 0.038 0.000 2.422 401 G HA2 -0.344 3.615 3.960 -0.002 0.000 0.218 401 G HA3 -0.344 3.615 3.960 -0.002 0.000 0.218 401 G C 1.357 176.281 174.900 0.040 0.000 1.140 401 G CA 0.614 45.722 45.100 0.014 0.000 0.775 401 G HN 0.664 nan 8.290 nan 0.000 0.545 402 W N 0.363 121.618 121.300 -0.076 0.000 2.381 402 W HA -0.039 4.621 4.660 -0.001 0.000 0.301 402 W C 2.127 178.638 176.519 -0.013 0.000 1.205 402 W CA 1.209 58.516 57.345 -0.064 0.000 1.285 402 W CB -0.460 28.950 29.460 -0.083 0.000 1.133 402 W HN 0.169 nan 8.180 nan 0.000 0.521 403 Y N 1.747 121.878 120.300 -0.282 0.000 2.165 403 Y HA -0.205 4.344 4.550 -0.002 0.000 0.286 403 Y C 2.493 178.133 175.900 -0.433 0.000 1.155 403 Y CA 2.616 60.365 58.100 -0.585 0.000 1.164 403 Y CB -0.733 37.586 38.460 -0.235 0.000 0.978 403 Y HN -0.086 nan 8.280 nan 0.000 0.513 404 R N -0.957 119.361 120.500 -0.304 0.000 2.120 404 R HA -0.119 4.220 4.340 -0.002 0.000 0.234 404 R C 2.008 178.114 176.300 -0.324 0.000 1.123 404 R CA 1.863 57.781 56.100 -0.304 0.000 0.975 404 R CB -0.513 29.720 30.300 -0.113 0.000 0.866 404 R HN 0.528 nan 8.270 nan 0.000 0.446 405 T N -2.745 111.621 114.554 -0.313 0.000 3.040 405 T HA 0.350 4.699 4.350 -0.002 0.000 0.250 405 T C 0.759 175.270 174.700 -0.315 0.000 1.058 405 T CA -0.005 61.946 62.100 -0.247 0.000 0.988 405 T CB 0.339 69.120 68.868 -0.144 0.000 0.993 405 T HN 0.153 nan 8.240 nan 0.000 0.519 406 A N 2.809 125.300 122.820 -0.549 0.000 2.507 406 A HA 0.481 4.799 4.320 -0.002 0.000 0.235 406 A C 1.088 178.497 177.584 -0.291 0.000 1.070 406 A CA 0.053 51.766 52.037 -0.541 0.000 0.768 406 A CB -0.310 18.095 19.000 -0.992 0.000 1.011 406 A HN 0.688 nan 8.150 nan 0.000 0.502 407 T N -0.271 114.212 114.554 -0.118 0.000 2.802 407 T HA 0.263 4.612 4.350 -0.002 0.000 0.305 407 T C -1.802 172.886 174.700 -0.020 0.000 1.053 407 T CA -0.536 61.551 62.100 -0.022 0.000 1.058 407 T CB 0.154 69.078 68.868 0.093 0.000 0.988 407 T HN 0.366 nan 8.240 nan 0.000 0.539 408 P HA -0.116 nan 4.420 nan 0.000 0.215 408 P C 1.366 178.720 177.300 0.089 0.000 1.153 408 P CA 1.394 64.508 63.100 0.024 0.000 0.853 408 P CB -0.147 31.577 31.700 0.040 0.000 0.788 409 H N 0.147 119.257 119.070 0.067 0.000 2.290 409 H HA -0.118 4.436 4.556 -0.002 0.000 0.298 409 H C 1.875 177.335 175.328 0.220 0.000 1.087 409 H CA 1.952 58.076 56.048 0.127 0.000 1.291 409 H CB -0.420 29.413 29.762 0.118 0.000 1.369 409 H HN 0.095 nan 8.280 nan 0.000 0.492 410 E N -0.028 120.306 120.200 0.223 0.000 2.058 410 E HA -0.199 4.149 4.350 -0.002 0.000 0.194 410 E C 2.473 179.138 176.600 0.108 0.000 0.997 410 E CA 1.295 57.848 56.400 0.256 0.000 0.801 410 E CB 0.002 29.858 29.700 0.260 0.000 0.746 410 E HN 0.496 nan 8.360 nan 0.000 0.450 411 R N 0.523 121.020 120.500 -0.006 0.000 2.083 411 R HA -0.174 4.165 4.340 -0.002 0.000 0.237 411 R C 2.190 178.559 176.300 0.116 0.000 1.137 411 R CA 1.702 57.815 56.100 0.021 0.000 0.951 411 R CB -0.360 29.869 30.300 -0.117 0.000 0.851 411 R HN 0.213 nan 8.270 nan 0.000 0.434 412 D N 0.230 120.679 120.400 0.083 0.000 2.097 412 D HA -0.192 4.447 4.640 -0.002 0.000 0.197 412 D C 1.673 178.076 176.300 0.172 0.000 0.984 412 D CA 0.819 54.879 54.000 0.100 0.000 0.826 412 D CB -0.092 40.752 40.800 0.073 0.000 0.973 412 D HN 0.074 nan 8.370 nan 0.000 0.460 413 F N 0.738 120.659 119.950 -0.049 0.000 2.216 413 F HA -0.043 4.483 4.527 -0.002 0.000 0.300 413 F C 1.872 177.792 175.800 0.200 0.000 1.085 413 F CA 0.733 58.764 58.000 0.051 0.000 1.326 413 F CB -0.830 38.140 39.000 -0.051 0.000 1.027 413 F HN 0.127 nan 8.300 nan 0.000 0.497 414 L N 0.852 122.070 121.223 -0.009 0.000 1.989 414 L HA -0.215 4.123 4.340 -0.002 0.000 0.211 414 L C 2.408 179.272 176.870 -0.011 0.000 1.071 414 L CA 2.036 56.658 54.840 -0.364 0.000 0.749 414 L CB -1.014 40.856 42.059 -0.315 0.000 0.890 414 L HN 0.035 nan 8.230 nan 0.000 0.431 415 K N -0.796 119.672 120.400 0.114 0.000 2.009 415 K HA -0.179 4.140 4.320 -0.002 0.000 0.210 415 K C 2.216 178.873 176.600 0.095 0.000 1.049 415 K CA 1.959 58.299 56.287 0.089 0.000 0.929 415 K CB -0.209 32.283 32.500 -0.014 0.000 0.714 415 K HN 0.331 nan 8.250 nan 0.000 0.440 416 R N -0.559 120.027 120.500 0.145 0.000 2.091 416 R HA -0.194 4.145 4.340 -0.002 0.000 0.238 416 R C 2.326 178.739 176.300 0.190 0.000 1.136 416 R CA 1.723 57.928 56.100 0.175 0.000 0.959 416 R CB -0.454 30.005 30.300 0.264 0.000 0.856 416 R HN 0.305 nan 8.270 nan 0.000 0.437 417 Y N 1.368 121.719 120.300 0.086 0.000 2.200 417 Y HA -0.134 4.415 4.550 -0.003 0.000 0.290 417 Y C 2.038 178.052 175.900 0.189 0.000 1.137 417 Y CA 1.352 59.507 58.100 0.091 0.000 1.163 417 Y CB -0.133 38.270 38.460 -0.094 0.000 0.988 417 Y HN -0.055 nan 8.280 nan 0.000 0.518 418 L N -0.581 120.790 121.223 0.247 0.000 2.042 418 L HA -0.271 4.068 4.340 -0.002 0.000 0.210 418 L C 2.748 179.709 176.870 0.151 0.000 1.076 418 L CA 1.160 56.116 54.840 0.194 0.000 0.749 418 L CB -0.976 41.192 42.059 0.182 0.000 0.893 418 L HN 0.342 nan 8.230 nan 0.000 0.432 419 A N -0.405 122.472 122.820 0.095 0.000 1.908 419 A HA -0.282 4.036 4.320 -0.002 0.000 0.218 419 A C 2.003 179.603 177.584 0.027 0.000 1.181 419 A CA 2.073 54.140 52.037 0.050 0.000 0.627 419 A CB -0.633 18.382 19.000 0.026 0.000 0.818 419 A HN 0.378 nan 8.150 nan 0.000 0.445 420 D N -1.887 118.507 120.400 -0.009 0.000 2.265 420 D HA -0.150 4.488 4.640 -0.002 0.000 0.208 420 D C 0.728 176.932 176.300 -0.160 0.000 0.977 420 D CA 0.907 54.836 54.000 -0.118 0.000 0.871 420 D CB -0.138 40.525 40.800 -0.229 0.000 0.925 420 D HN 0.743 nan 8.370 nan 0.000 0.485 421 W N 0.100 121.292 121.300 -0.179 0.000 3.223 421 W HA 0.324 4.982 4.660 -0.003 0.000 0.389 421 W C 1.416 177.902 176.519 -0.054 0.000 1.118 421 W CA 0.250 57.526 57.345 -0.115 0.000 1.902 421 W CB 0.222 29.627 29.460 -0.091 0.000 1.094 421 W HN -0.063 nan 8.180 nan 0.000 0.666 422 G N 1.203 110.065 108.800 0.104 0.000 2.179 422 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.257 422 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.257 422 G C -0.031 174.926 174.900 0.095 0.000 1.010 422 G CA 0.074 45.216 45.100 0.069 0.000 0.736 422 G HN 0.264 nan 8.290 nan 0.000 0.513 423 I N 0.589 121.236 120.570 0.129 0.000 2.378 423 I HA 0.605 4.774 4.170 -0.002 0.000 0.291 423 I C 0.306 176.488 176.117 0.109 0.000 0.992 423 I CA -0.559 60.814 61.300 0.123 0.000 1.154 423 I CB 2.151 40.236 38.000 0.141 0.000 1.315 423 I HN 0.101 nan 8.210 nan 0.000 0.448 424 T N 6.304 120.914 114.554 0.092 0.000 2.906 424 T HA 0.787 5.136 4.350 -0.002 0.000 0.295 424 T C -1.229 173.539 174.700 0.114 0.000 1.061 424 T CA -0.446 61.679 62.100 0.041 0.000 1.000 424 T CB 1.290 70.143 68.868 -0.024 0.000 1.103 424 T HN 0.406 nan 8.240 nan 0.000 0.486 425 F N 2.005 121.939 119.950 -0.028 0.000 2.631 425 F HA 0.747 5.272 4.527 -0.002 0.000 0.308 425 F C 0.263 176.043 175.800 -0.034 0.000 1.097 425 F CA -1.067 56.908 58.000 -0.041 0.000 0.952 425 F CB 1.284 40.238 39.000 -0.076 0.000 1.307 425 F HN 0.411 nan 8.300 nan 0.000 0.450 426 R N 0.305 120.894 120.500 0.148 0.000 2.107 426 R HA 0.222 4.560 4.340 -0.002 0.000 0.195 426 R C -0.352 176.069 176.300 0.203 0.000 1.214 426 R CA 0.115 56.253 56.100 0.063 0.000 1.129 426 R CB -0.188 30.130 30.300 0.030 0.000 1.045 426 R HN 0.731 nan 8.270 nan 0.000 0.489 427 E N 1.722 122.031 120.200 0.183 0.000 2.373 427 E HA -0.035 4.314 4.350 -0.002 0.000 0.267 427 E C 0.749 177.437 176.600 0.146 0.000 1.032 427 E CA 0.232 56.718 56.400 0.143 0.000 0.889 427 E CB 1.109 30.854 29.700 0.076 0.000 0.984 427 E HN 0.143 nan 8.360 nan 0.000 0.425 428 E N 2.885 123.157 120.200 0.121 0.000 2.058 428 E HA -0.281 4.067 4.350 -0.002 0.000 0.194 428 E C 1.347 177.902 176.600 -0.074 0.000 0.997 428 E CA 1.329 57.767 56.400 0.063 0.000 0.801 428 E CB -0.038 29.757 29.700 0.159 0.000 0.746 428 E HN 0.593 nan 8.360 nan 0.000 0.450 429 A N 0.531 123.346 122.820 -0.008 0.000 2.225 429 A HA -0.160 4.158 4.320 -0.002 0.000 0.215 429 A C 1.762 179.337 177.584 -0.015 0.000 1.164 429 A CA 1.113 53.146 52.037 -0.006 0.000 0.710 429 A CB -0.344 18.675 19.000 0.032 0.000 0.780 429 A HN 0.348 nan 8.150 nan 0.000 0.473 430 E N -0.549 119.612 120.200 -0.065 0.000 2.299 430 E HA -0.038 4.311 4.350 -0.002 0.000 0.193 430 E C 1.791 178.253 176.600 -0.230 0.000 0.998 430 E CA 0.611 56.980 56.400 -0.052 0.000 0.851 430 E CB -0.030 29.683 29.700 0.022 0.000 0.795 430 E HN 0.436 nan 8.360 nan 0.000 0.492 431 V N 1.617 121.187 119.914 -0.573 0.000 2.250 431 V HA -0.253 3.865 4.120 -0.002 0.000 0.250 431 V C -0.777 175.059 176.094 -0.430 0.000 1.060 431 V CA 2.191 63.998 62.300 -0.822 0.000 1.030 431 V CB -1.609 29.548 31.823 -1.110 0.000 0.643 431 V HN 0.224 nan 8.190 nan 0.000 0.445 432 P HA -0.188 nan 4.420 nan 0.000 0.216 432 P C 1.288 178.338 177.300 -0.416 0.000 1.154 432 P CA 1.811 64.718 63.100 -0.323 0.000 0.865 432 P CB -0.141 31.397 31.700 -0.270 0.000 0.789 433 W N -0.472 120.680 121.300 -0.246 0.000 2.418 433 W HA 0.030 4.689 4.660 -0.002 0.000 0.292 433 W C 2.626 179.020 176.519 -0.209 0.000 1.213 433 W CA 1.211 58.429 57.345 -0.212 0.000 1.283 433 W CB -1.079 28.301 29.460 -0.134 0.000 1.119 433 W HN -0.118 nan 8.180 nan 0.000 0.542 434 A N -0.031 122.773 122.820 -0.027 0.000 1.902 434 A HA -0.171 4.148 4.320 -0.002 0.000 0.217 434 A C 1.950 179.464 177.584 -0.116 0.000 1.181 434 A CA 1.471 53.482 52.037 -0.043 0.000 0.623 434 A CB -0.935 18.015 19.000 -0.083 0.000 0.818 434 A HN 0.289 nan 8.150 nan 0.000 0.443 435 L N -1.269 119.821 121.223 -0.222 0.000 2.109 435 L HA -0.131 4.207 4.340 -0.002 0.000 0.207 435 L C 2.833 179.509 176.870 -0.323 0.000 1.086 435 L CA 1.132 55.830 54.840 -0.237 0.000 0.760 435 L CB -0.404 41.494 42.059 -0.268 0.000 0.910 435 L HN 0.410 nan 8.230 nan 0.000 0.437 436 M N -0.872 118.404 119.600 -0.540 0.000 2.159 436 M HA -0.236 4.243 4.480 -0.002 0.000 0.263 436 M C 2.431 178.539 176.300 -0.320 0.000 1.063 436 M CA 1.575 56.347 55.300 -0.881 0.000 1.110 436 M CB -0.408 31.462 32.600 -1.217 0.000 1.374 436 M HN 0.177 nan 8.290 nan 0.000 0.411 437 R N 0.627 121.028 120.500 -0.166 0.000 2.066 437 R HA -0.169 4.170 4.340 -0.002 0.000 0.232 437 R C 2.151 178.430 176.300 -0.035 0.000 1.131 437 R CA 1.281 57.366 56.100 -0.025 0.000 0.955 437 R CB -0.299 30.026 30.300 0.042 0.000 0.851 437 R HN 0.245 nan 8.270 nan 0.000 0.432 438 L N 0.511 121.675 121.223 -0.098 0.000 2.046 438 L HA -0.017 4.321 4.340 -0.002 0.000 0.208 438 L C 2.088 178.847 176.870 -0.185 0.000 1.077 438 L CA 2.377 57.089 54.840 -0.212 0.000 0.747 438 L CB -1.088 40.829 42.059 -0.237 0.000 0.896 438 L HN 0.287 nan 8.230 nan 0.000 0.432 439 G N -0.565 108.206 108.800 -0.049 0.000 2.459 439 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.217 439 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.217 439 G C 1.537 176.492 174.900 0.092 0.000 1.183 439 G CA 1.125 46.281 45.100 0.093 0.000 0.776 439 G HN 0.423 nan 8.290 nan 0.000 0.552 440 M N 0.801 120.467 119.600 0.111 0.000 2.296 440 M HA 0.026 4.505 4.480 -0.002 0.000 0.265 440 M C 2.817 179.161 176.300 0.073 0.000 1.064 440 M CA 1.133 56.476 55.300 0.072 0.000 1.109 440 M CB -0.142 32.483 32.600 0.042 0.000 1.396 440 M HN 0.339 nan 8.290 nan 0.000 0.430 441 A N 0.213 123.073 122.820 0.067 0.000 2.208 441 A HA 0.036 4.354 4.320 -0.002 0.000 0.209 441 A C 1.382 179.093 177.584 0.212 0.000 1.161 441 A CA 0.534 52.664 52.037 0.155 0.000 0.782 441 A CB -0.403 18.734 19.000 0.229 0.000 0.816 441 A HN 0.503 nan 8.150 nan 0.000 0.477 442 S N -1.088 114.662 115.700 0.084 0.000 2.655 442 S HA 0.320 4.788 4.470 -0.002 0.000 0.265 442 S C 0.823 175.540 174.600 0.196 0.000 1.240 442 S CA -0.446 57.835 58.200 0.135 0.000 0.986 442 S CB 0.550 63.792 63.200 0.070 0.000 0.985 442 S HN 0.379 nan 8.310 nan 0.000 0.562 443 R N 0.177 120.817 120.500 0.234 0.000 2.280 443 R HA 0.128 4.467 4.340 -0.002 0.000 0.207 443 R C 0.776 177.174 176.300 0.164 0.000 1.043 443 R CA 0.554 56.769 56.100 0.190 0.000 1.006 443 R CB -0.675 29.733 30.300 0.180 0.000 0.885 443 R HN 0.770 nan 8.270 nan 0.000 0.467 444 A N 1.392 124.334 122.820 0.203 0.000 2.537 444 A HA -0.014 4.305 4.320 -0.002 0.000 0.260 444 A C 0.826 178.421 177.584 0.019 0.000 1.082 444 A CA 0.062 52.140 52.037 0.070 0.000 0.765 444 A CB 0.132 19.142 19.000 0.018 0.000 1.019 444 A HN 0.321 nan 8.150 nan 0.000 0.507 445 R N 1.000 121.500 120.500 -0.000 0.000 2.200 445 R HA -0.043 4.296 4.340 -0.002 0.000 0.234 445 R C 0.230 176.491 176.300 -0.065 0.000 1.127 445 R CA 0.814 56.908 56.100 -0.010 0.000 0.989 445 R CB -0.065 30.233 30.300 -0.003 0.000 0.869 445 R HN 0.588 nan 8.270 nan 0.000 0.459 446 L N -0.297 120.846 121.223 -0.134 0.000 2.436 446 L HA 0.560 4.899 4.340 -0.002 0.000 0.268 446 L C -1.681 175.010 176.870 -0.299 0.000 0.974 446 L CA -0.551 54.145 54.840 -0.240 0.000 0.826 446 L CB 2.001 43.836 42.059 -0.374 0.000 1.291 446 L HN -0.116 nan 8.230 nan 0.000 0.406 447 A N 4.793 127.416 122.820 -0.328 0.000 2.343 447 A HA 0.789 5.108 4.320 -0.002 0.000 0.316 447 A C -1.398 175.756 177.584 -0.717 0.000 1.104 447 A CA -0.454 51.269 52.037 -0.523 0.000 0.768 447 A CB 1.755 20.500 19.000 -0.426 0.000 1.213 447 A HN 0.418 nan 8.150 nan 0.000 0.456 448 V N 2.887 122.231 119.914 -0.951 0.000 2.588 448 V HA 0.492 4.611 4.120 -0.002 0.000 0.304 448 V C -1.302 174.474 176.094 -0.529 0.000 1.042 448 V CA -0.346 61.544 62.300 -0.683 0.000 0.877 448 V CB 1.431 32.925 31.823 -0.548 0.000 0.996 448 V HN 0.835 nan 8.190 nan 0.000 0.425 449 Y N 5.291 125.620 120.300 0.048 0.000 2.391 449 Y HA 0.500 5.049 4.550 -0.002 0.000 0.341 449 Y C -2.270 173.687 175.900 0.094 0.000 0.965 449 Y CA -2.793 55.328 58.100 0.034 0.000 1.067 449 Y CB 2.794 41.215 38.460 -0.065 0.000 1.199 449 Y HN 0.424 nan 8.280 nan 0.000 0.450 450 P HA 0.007 nan 4.420 nan 0.000 0.271 450 P C 0.638 177.994 177.300 0.092 0.000 1.216 450 P CA -0.065 63.133 63.100 0.163 0.000 0.776 450 P CB 2.034 33.776 31.700 0.070 0.000 0.881 451 V N 2.760 122.755 119.914 0.134 0.000 2.568 451 V HA -0.257 3.862 4.120 -0.002 0.000 0.253 451 V C 2.527 178.583 176.094 -0.064 0.000 1.072 451 V CA 1.952 64.317 62.300 0.109 0.000 1.084 451 V CB -1.325 30.627 31.823 0.214 0.000 0.676 451 V HN 0.526 nan 8.190 nan 0.000 0.469 452 Q N -0.192 119.442 119.800 -0.278 0.000 2.170 452 Q HA -0.192 4.146 4.340 -0.002 0.000 0.203 452 Q C 1.952 177.794 176.000 -0.264 0.000 0.976 452 Q CA 1.751 57.280 55.803 -0.456 0.000 0.858 452 Q CB -0.285 28.044 28.738 -0.682 0.000 0.907 452 Q HN 0.602 nan 8.270 nan 0.000 0.433 453 D N -0.742 119.524 120.400 -0.223 0.000 2.183 453 D HA -0.071 4.568 4.640 -0.002 0.000 0.203 453 D C 1.733 177.856 176.300 -0.296 0.000 0.969 453 D CA 0.647 54.492 54.000 -0.260 0.000 0.842 453 D CB 0.032 40.646 40.800 -0.310 0.000 0.957 453 D HN 0.068 nan 8.370 nan 0.000 0.484 454 V N 0.937 120.717 119.914 -0.224 0.000 2.594 454 V HA -0.161 3.958 4.120 -0.002 0.000 0.253 454 V C 2.146 178.264 176.094 0.041 0.000 1.069 454 V CA 1.121 63.332 62.300 -0.148 0.000 1.082 454 V CB -0.261 31.581 31.823 0.031 0.000 0.680 454 V HN 0.220 nan 8.190 nan 0.000 0.469 455 L N -0.117 121.071 121.223 -0.058 0.000 2.640 455 L HA 0.445 4.783 4.340 -0.002 0.000 0.230 455 L C 1.338 178.228 176.870 0.033 0.000 1.123 455 L CA 0.409 55.226 54.840 -0.039 0.000 0.900 455 L CB -0.369 41.644 42.059 -0.078 0.000 1.146 455 L HN 0.291 nan 8.230 nan 0.000 0.484 456 A N 0.912 123.732 122.820 0.000 0.000 2.704 456 A HA -0.213 4.105 4.320 -0.002 0.000 0.299 456 A C 0.413 177.977 177.584 -0.033 0.000 1.507 456 A CA 0.582 52.613 52.037 -0.009 0.000 0.776 456 A CB -2.308 16.747 19.000 0.090 0.000 1.027 456 A HN 0.376 nan 8.150 nan 0.000 0.475 457 L N -0.851 120.318 121.223 -0.091 0.000 2.453 457 L HA 0.501 4.840 4.340 -0.002 0.000 0.261 457 L C 1.562 178.371 176.870 -0.100 0.000 1.179 457 L CA 0.124 54.906 54.840 -0.097 0.000 0.813 457 L CB 0.519 42.469 42.059 -0.182 0.000 1.110 457 L HN 0.569 nan 8.230 nan 0.000 0.466 458 G N -0.254 108.505 108.800 -0.069 0.000 2.510 458 G HA2 0.153 4.111 3.960 -0.002 0.000 0.280 458 G HA3 0.153 4.111 3.960 -0.002 0.000 0.280 458 G C 0.767 175.618 174.900 -0.082 0.000 1.386 458 G CA -0.339 44.729 45.100 -0.054 0.000 1.047 458 G HN 0.630 nan 8.290 nan 0.000 0.527 459 S N 0.261 115.929 115.700 -0.053 0.000 2.440 459 S HA -0.128 4.341 4.470 -0.002 0.000 0.238 459 S C 2.163 176.736 174.600 -0.045 0.000 1.010 459 S CA 1.516 59.682 58.200 -0.056 0.000 0.972 459 S CB -0.152 63.034 63.200 -0.023 0.000 0.774 459 S HN 0.766 nan 8.310 nan 0.000 0.501 460 E N 1.482 121.667 120.200 -0.026 0.000 2.418 460 E HA 0.021 4.370 4.350 -0.002 0.000 0.197 460 E C 1.206 177.804 176.600 -0.004 0.000 1.026 460 E CA 0.884 57.289 56.400 0.009 0.000 0.862 460 E CB -0.211 29.511 29.700 0.035 0.000 0.799 460 E HN 0.462 nan 8.360 nan 0.000 0.518 461 A N 1.429 124.166 122.820 -0.137 0.000 2.379 461 A HA 0.134 4.452 4.320 -0.002 0.000 0.236 461 A C 1.138 178.464 177.584 -0.429 0.000 1.272 461 A CA -0.415 51.377 52.037 -0.408 0.000 0.886 461 A CB -0.467 18.095 19.000 -0.731 0.000 0.962 461 A HN 0.125 nan 8.150 nan 0.000 0.504 462 R N -0.022 120.356 120.500 -0.203 0.000 2.458 462 R HA 0.129 4.468 4.340 -0.002 0.000 0.303 462 R C 1.098 177.336 176.300 -0.103 0.000 1.013 462 R CA -0.081 55.915 56.100 -0.174 0.000 1.026 462 R CB 0.237 30.456 30.300 -0.135 0.000 0.948 462 R HN 0.305 nan 8.270 nan 0.000 0.417 463 M N 3.295 122.836 119.600 -0.097 0.000 2.077 463 M HA -0.062 4.417 4.480 -0.002 0.000 0.261 463 M C -0.113 176.007 176.300 -0.300 0.000 1.070 463 M CA 1.856 57.141 55.300 -0.024 0.000 1.125 463 M CB -0.303 32.364 32.600 0.111 0.000 1.339 463 M HN 0.658 nan 8.290 nan 0.000 0.409 464 N N -1.186 117.282 118.700 -0.386 0.000 2.264 464 N HA 0.200 4.939 4.740 -0.002 0.000 0.288 464 N C -2.158 173.189 175.510 -0.271 0.000 1.094 464 N CA -0.513 52.174 53.050 -0.605 0.000 0.817 464 N CB 1.006 38.851 38.487 -1.069 0.000 1.604 464 N HN 0.264 nan 8.380 nan 0.000 0.473 465 Y N 3.282 123.402 120.300 -0.300 0.000 2.686 465 Y HA 0.454 5.003 4.550 -0.002 0.000 0.331 465 Y C -2.275 173.549 175.900 -0.127 0.000 0.996 465 Y CA -2.562 55.436 58.100 -0.170 0.000 1.293 465 Y CB 1.346 39.732 38.460 -0.123 0.000 1.092 465 Y HN 0.470 nan 8.280 nan 0.000 0.524 466 P HA 0.035 nan 4.420 nan 0.000 0.261 466 P C 0.643 178.035 177.300 0.153 0.000 1.173 466 P CA 2.171 65.341 63.100 0.118 0.000 0.760 466 P CB 0.730 32.463 31.700 0.054 0.000 0.783 467 G N 2.511 111.353 108.800 0.070 0.000 2.284 467 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.230 467 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.230 467 G C 0.407 175.270 174.900 -0.062 0.000 1.021 467 G CA -0.235 44.878 45.100 0.023 0.000 0.619 467 G HN 0.694 nan 8.290 nan 0.000 0.510 468 R N 2.136 122.557 120.500 -0.132 0.000 2.340 468 R HA 0.441 4.780 4.340 -0.002 0.000 0.300 468 R C -1.261 174.994 176.300 -0.076 0.000 1.069 468 R CA -0.937 55.038 56.100 -0.208 0.000 0.984 468 R CB 0.797 30.878 30.300 -0.366 0.000 1.003 468 R HN 0.142 nan 8.270 nan 0.000 0.459 469 P HA 0.055 nan 4.420 nan 0.000 0.255 469 P C -1.075 176.225 177.300 -0.000 0.000 1.357 469 P CA 0.225 63.327 63.100 0.002 0.000 0.839 469 P CB 0.379 32.092 31.700 0.021 0.000 1.356 470 S N -3.491 112.198 115.700 -0.019 0.000 2.636 470 S HA 0.506 4.975 4.470 -0.002 0.000 0.266 470 S C 0.522 175.122 174.600 0.000 0.000 1.147 470 S CA 0.005 58.203 58.200 -0.004 0.000 0.815 470 S CB 0.681 63.886 63.200 0.009 0.000 1.119 470 S HN 0.138 nan 8.310 nan 0.000 0.470 471 G N 0.979 109.803 108.800 0.040 0.000 2.187 471 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.261 471 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.261 471 G C -0.177 174.743 174.900 0.034 0.000 1.000 471 G CA 0.423 45.558 45.100 0.060 0.000 0.718 471 G HN 0.874 nan 8.290 nan 0.000 0.519 472 N N -0.538 118.148 118.700 -0.024 0.000 2.495 472 N HA 0.396 5.135 4.740 -0.002 0.000 0.280 472 N C 0.816 176.275 175.510 -0.085 0.000 1.168 472 N CA 0.098 52.980 53.050 -0.281 0.000 0.978 472 N CB 0.269 38.384 38.487 -0.620 0.000 1.191 472 N HN 0.453 nan 8.380 nan 0.000 0.497 473 W N -1.256 120.164 121.300 0.199 0.000 4.233 473 W HA -0.268 4.391 4.660 -0.002 0.000 0.328 473 W C 0.824 177.579 176.519 0.394 0.000 1.212 473 W CA 0.402 57.897 57.345 0.250 0.000 0.752 473 W CB -2.035 27.512 29.460 0.145 0.000 2.277 473 W HN 0.656 nan 8.180 nan 0.000 1.465 474 A N -1.623 121.447 122.820 0.418 0.000 2.167 474 A HA 0.214 4.533 4.320 -0.002 0.000 0.208 474 A C 0.597 178.281 177.584 0.167 0.000 1.198 474 A CA 0.118 52.328 52.037 0.290 0.000 0.863 474 A CB -0.301 18.835 19.000 0.227 0.000 0.904 474 A HN 0.316 nan 8.150 nan 0.000 0.484 475 W N 2.255 123.604 121.300 0.081 0.000 2.391 475 W HA 0.272 4.930 4.660 -0.002 0.000 0.339 475 W C 0.209 176.748 176.519 0.032 0.000 1.252 475 W CA 0.784 58.154 57.345 0.040 0.000 1.304 475 W CB 0.207 29.686 29.460 0.033 0.000 1.179 475 W HN 0.180 nan 8.180 nan 0.000 0.567 476 R N 5.724 125.450 120.500 -1.290 0.000 2.698 476 R HA 0.423 4.761 4.340 -0.002 0.000 0.275 476 R C -0.825 174.635 176.300 -1.399 0.000 1.001 476 R CA -1.371 53.996 56.100 -1.221 0.000 0.896 476 R CB 1.562 31.521 30.300 -0.568 0.000 1.218 476 R HN 0.445 nan 8.270 nan 0.000 0.462 477 L N 2.711 123.265 121.223 -1.114 0.000 2.467 477 L HA 0.284 4.622 4.340 -0.002 0.000 0.270 477 L C 0.562 177.238 176.870 -0.322 0.000 1.205 477 L CA 0.124 54.645 54.840 -0.532 0.000 0.828 477 L CB 0.383 42.231 42.059 -0.352 0.000 1.101 477 L HN 0.380 nan 8.230 nan 0.000 0.479 478 R N 2.367 122.774 120.500 -0.154 0.000 2.573 478 R HA 0.400 4.739 4.340 -0.002 0.000 0.272 478 R C -2.397 173.847 176.300 -0.094 0.000 1.009 478 R CA -1.978 54.054 56.100 -0.114 0.000 1.059 478 R CB 0.200 30.470 30.300 -0.050 0.000 1.112 478 R HN 0.319 nan 8.270 nan 0.000 0.517 479 P HA -0.029 nan 4.420 nan 0.000 0.264 479 P C 0.465 177.743 177.300 -0.038 0.000 1.193 479 P CA 0.922 63.981 63.100 -0.068 0.000 0.763 479 P CB 0.490 32.149 31.700 -0.069 0.000 0.810 480 G N 2.583 111.366 108.800 -0.028 0.000 2.175 480 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.265 480 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.265 480 G C 1.069 175.984 174.900 0.024 0.000 0.979 480 G CA 0.666 45.767 45.100 0.000 0.000 0.663 480 G HN 0.589 nan 8.290 nan 0.000 0.533 481 E N -0.546 119.660 120.200 0.011 0.000 2.072 481 E HA 0.096 4.445 4.350 -0.002 0.000 0.191 481 E C 1.445 178.093 176.600 0.079 0.000 0.985 481 E CA 0.393 56.820 56.400 0.045 0.000 0.801 481 E CB 0.063 29.781 29.700 0.029 0.000 0.750 481 E HN 0.637 nan 8.360 nan 0.000 0.452 482 I N 1.742 122.316 120.570 0.007 0.000 2.395 482 I HA 0.130 4.299 4.170 -0.002 0.000 0.289 482 I C -0.678 175.515 176.117 0.127 0.000 1.023 482 I CA -0.340 60.951 61.300 -0.015 0.000 1.350 482 I CB 0.321 38.167 38.000 -0.257 0.000 1.409 482 I HN 0.064 nan 8.210 nan 0.000 0.507 483 K N 4.579 125.235 120.400 0.428 0.000 2.480 483 K HA 0.412 4.731 4.320 -0.002 0.000 0.258 483 K C 0.186 176.984 176.600 0.329 0.000 0.990 483 K CA -0.873 55.572 56.287 0.262 0.000 0.857 483 K CB 1.512 34.089 32.500 0.129 0.000 1.384 483 K HN 0.454 nan 8.250 nan 0.000 0.446 484 E N 0.942 121.280 120.200 0.230 0.000 2.169 484 E HA -0.320 4.029 4.350 -0.002 0.000 0.202 484 E C 1.522 178.200 176.600 0.130 0.000 1.016 484 E CA 1.969 58.492 56.400 0.205 0.000 0.817 484 E CB 0.053 29.813 29.700 0.100 0.000 0.736 484 E HN 0.731 nan 8.360 nan 0.000 0.462 485 E N 0.150 120.354 120.200 0.006 0.000 2.086 485 E HA -0.284 4.065 4.350 -0.002 0.000 0.200 485 E C 1.761 178.312 176.600 -0.082 0.000 1.012 485 E CA 1.809 58.136 56.400 -0.121 0.000 0.812 485 E CB -0.101 29.431 29.700 -0.280 0.000 0.743 485 E HN 0.506 nan 8.360 nan 0.000 0.453 486 H N -1.168 118.037 119.070 0.224 0.000 2.357 486 H HA 0.017 4.571 4.556 -0.002 0.000 0.301 486 H C 2.085 177.624 175.328 0.351 0.000 1.082 486 H CA 1.070 57.322 56.048 0.340 0.000 1.342 486 H CB -0.375 29.660 29.762 0.455 0.000 1.389 486 H HN 0.311 nan 8.280 nan 0.000 0.511 487 G N 0.704 109.749 108.800 0.409 0.000 2.421 487 G HA2 -0.260 3.698 3.960 -0.002 0.000 0.216 487 G HA3 -0.260 3.698 3.960 -0.002 0.000 0.216 487 G C 1.425 176.314 174.900 -0.019 0.000 1.171 487 G CA 0.892 45.932 45.100 -0.101 0.000 0.775 487 G HN 0.417 nan 8.290 nan 0.000 0.543 488 E N -0.240 119.970 120.200 0.017 0.000 2.085 488 E HA -0.146 4.202 4.350 -0.002 0.000 0.194 488 E C 2.525 179.129 176.600 0.006 0.000 0.994 488 E CA 0.832 57.229 56.400 -0.006 0.000 0.801 488 E CB -0.131 29.557 29.700 -0.019 0.000 0.743 488 E HN 0.355 nan 8.360 nan 0.000 0.453 489 R N 0.655 121.163 120.500 0.015 0.000 2.096 489 R HA -0.128 4.211 4.340 -0.002 0.000 0.235 489 R C 2.300 178.677 176.300 0.128 0.000 1.127 489 R CA 0.922 56.996 56.100 -0.042 0.000 0.968 489 R CB -0.107 30.026 30.300 -0.279 0.000 0.861 489 R HN 0.161 nan 8.270 nan 0.000 0.440 490 L N 0.349 121.734 121.223 0.270 0.000 2.027 490 L HA -0.195 4.143 4.340 -0.002 0.000 0.206 490 L C 2.426 179.335 176.870 0.065 0.000 1.074 490 L CA 0.686 55.660 54.840 0.223 0.000 0.745 490 L CB -0.493 41.696 42.059 0.216 0.000 0.898 490 L HN 0.257 nan 8.230 nan 0.000 0.433 491 L N -0.525 120.735 121.223 0.062 0.000 2.043 491 L HA -0.255 4.084 4.340 -0.002 0.000 0.212 491 L C 2.765 179.653 176.870 0.031 0.000 1.075 491 L CA 2.092 56.960 54.840 0.046 0.000 0.752 491 L CB -0.646 41.418 42.059 0.009 0.000 0.891 491 L HN 0.237 nan 8.230 nan 0.000 0.432 492 S N -0.871 114.842 115.700 0.022 0.000 2.353 492 S HA -0.242 4.227 4.470 -0.002 0.000 0.222 492 S C 2.127 176.741 174.600 0.022 0.000 1.035 492 S CA 1.861 60.068 58.200 0.012 0.000 1.025 492 S CB -0.600 62.595 63.200 -0.008 0.000 0.902 492 S HN 0.533 nan 8.310 nan 0.000 0.440 493 L N 0.732 121.979 121.223 0.040 0.000 2.083 493 L HA -0.062 4.277 4.340 -0.002 0.000 0.209 493 L C 2.678 179.545 176.870 -0.006 0.000 1.083 493 L CA 1.460 56.324 54.840 0.041 0.000 0.752 493 L CB -0.658 41.462 42.059 0.101 0.000 0.899 493 L HN 0.499 nan 8.230 nan 0.000 0.433 494 A N -0.514 122.278 122.820 -0.045 0.000 1.930 494 A HA -0.210 4.109 4.320 -0.002 0.000 0.217 494 A C 2.035 179.645 177.584 0.043 0.000 1.175 494 A CA 1.544 53.570 52.037 -0.018 0.000 0.627 494 A CB -0.405 18.629 19.000 0.057 0.000 0.815 494 A HN 0.545 nan 8.150 nan 0.000 0.443 495 E N -0.177 120.046 120.200 0.039 0.000 2.106 495 E HA -0.078 4.270 4.350 -0.002 0.000 0.192 495 E C 2.238 178.859 176.600 0.034 0.000 0.984 495 E CA 0.844 57.267 56.400 0.037 0.000 0.806 495 E CB -0.267 29.449 29.700 0.026 0.000 0.750 495 E HN 0.607 nan 8.360 nan 0.000 0.458 496 A N 1.239 124.078 122.820 0.032 0.000 2.019 496 A HA -0.133 4.186 4.320 -0.002 0.000 0.219 496 A C 2.289 179.901 177.584 0.046 0.000 1.164 496 A CA 1.819 53.877 52.037 0.035 0.000 0.644 496 A CB -0.562 18.459 19.000 0.035 0.000 0.805 496 A HN 0.350 nan 8.150 nan 0.000 0.449 497 T N -4.966 109.619 114.554 0.050 0.000 3.069 497 T HA 0.429 4.778 4.350 -0.002 0.000 0.252 497 T C 1.175 175.913 174.700 0.063 0.000 1.053 497 T CA 0.941 63.080 62.100 0.064 0.000 0.964 497 T CB 0.154 69.063 68.868 0.067 0.000 1.005 497 T HN 1.658 nan 8.240 nan 0.000 0.532 498 G N 2.156 110.990 108.800 0.056 0.000 2.182 498 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.248 498 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.248 498 G C 0.618 175.558 174.900 0.067 0.000 1.042 498 G CA 0.123 45.257 45.100 0.055 0.000 0.775 498 G HN 0.569 nan 8.290 nan 0.000 0.501 499 R N -0.755 119.796 120.500 0.084 0.000 2.393 499 R HA 0.365 4.704 4.340 -0.002 0.000 0.244 499 R C 1.433 177.814 176.300 0.134 0.000 0.920 499 R CA 0.575 56.746 56.100 0.119 0.000 1.076 499 R CB 0.584 30.982 30.300 0.163 0.000 1.119 499 R HN 0.636 nan 8.270 nan 0.000 0.524 500 V N 0.000 119.972 119.914 0.097 0.000 2.409 500 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 500 V CA 0.000 62.346 62.300 0.077 0.000 1.235 500 V CB 0.000 31.861 31.823 0.063 0.000 1.184 500 V HN 0.000 nan 8.190 nan 0.000 0.556