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 2hqs_1_D DATA FIRST_RESID 24 DATA SEQUENCE VRIVIDSGVD SGRPIGVVPF QWAGPGAAPE DIGGIVAADL RNSGKFNPLD DATA SEQUENCE RARLPQQPGS AQEVQPAAWS ALGIDAVVVG QVTPNPDGSY NVAYQLVDTG DATA SEQUENCE GAPGTVLAQN SYKVNKQWLR YAGHTASDEV FEKLTGIKGA FRTRIAYVVQ DATA SEQUENCE TNGGQFPYEL RVSDYDGYNQ FVVHRSPQPL MSPAWSPDGS KLAYVTFESG DATA SEQUENCE RSALVIQTLA NGAVRQVASF PRHNGAPAFS PDGSKLAFAL SKTGSLNLYV DATA SEQUENCE MDLASGQIRQ VTDGRSNNTE PTWFPDSQNL AFTSDQAGRP QVYKVNINGG DATA SEQUENCE APQRITWEGS QNQDADVSSD GKFMVMVSSN GGQQHIAKQD LATGGVQVLS DATA SEQUENCE STFLDETPSL APNGTMVIYS SSQGMGSVLN LVSTDGRFKA RLPATDGQVK DATA SEQUENCE FPAWSPYLXX XXXHH 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 24 V HA 0.000 nan 4.120 nan 0.000 0.244 24 V C 0.000 175.932 176.094 -0.269 0.000 1.182 24 V CA 0.000 62.154 62.300 -0.242 0.000 1.235 24 V CB 0.000 31.604 31.823 -0.365 0.000 1.184 25 R N 1.165 121.523 120.500 -0.238 0.000 2.774 25 R HA 0.677 5.018 4.340 0.001 0.000 0.272 25 R C -1.187 175.023 176.300 -0.150 0.000 1.000 25 R CA -0.785 55.177 56.100 -0.231 0.000 0.906 25 R CB 2.261 32.432 30.300 -0.214 0.000 1.227 25 R HN 0.910 nan 8.270 nan 0.000 0.468 26 I N 1.686 122.197 120.570 -0.099 0.000 2.416 26 I HA 0.176 4.347 4.170 0.001 0.000 0.288 26 I C -0.050 176.066 176.117 -0.001 0.000 1.051 26 I CA -0.417 60.867 61.300 -0.027 0.000 1.375 26 I CB 1.065 39.094 38.000 0.048 0.000 1.407 26 I HN 0.023 nan 8.210 nan 0.000 0.516 27 V N 7.912 127.820 119.914 -0.010 0.000 2.407 27 V HA 0.396 4.516 4.120 0.001 0.000 0.291 27 V C 0.110 176.194 176.094 -0.016 0.000 1.018 27 V CA -0.545 61.750 62.300 -0.009 0.000 0.842 27 V CB 1.682 33.485 31.823 -0.033 0.000 0.996 27 V HN 0.465 nan 8.190 nan 0.000 0.426 28 I N 3.860 124.430 120.570 -0.001 0.000 2.395 28 I HA 0.291 4.462 4.170 0.001 0.000 0.289 28 I C 0.662 176.714 176.117 -0.108 0.000 1.023 28 I CA -0.069 61.186 61.300 -0.075 0.000 1.350 28 I CB 1.212 39.219 38.000 0.012 0.000 1.409 28 I HN 0.608 nan 8.210 nan 0.000 0.507 29 D N 2.775 123.063 120.400 -0.187 0.000 2.431 29 D HA 0.065 4.706 4.640 0.001 0.000 0.235 29 D C 0.332 176.558 176.300 -0.124 0.000 0.980 29 D CA 0.844 54.767 54.000 -0.129 0.000 0.912 29 D CB 0.552 41.286 40.800 -0.111 0.000 1.056 29 D HN 0.623 nan 8.370 nan 0.000 0.494 30 S N -2.744 112.837 115.700 -0.199 0.000 2.587 30 S HA 0.524 4.995 4.470 0.001 0.000 0.269 30 S C 0.597 175.115 174.600 -0.137 0.000 1.154 30 S CA -0.115 58.012 58.200 -0.122 0.000 0.824 30 S CB 2.141 65.297 63.200 -0.074 0.000 1.118 30 S HN 0.255 nan 8.310 nan 0.000 0.462 31 G N -0.306 108.495 108.800 0.001 0.000 2.195 31 G HA2 -0.254 3.707 3.960 0.001 0.000 0.224 31 G HA3 -0.254 3.707 3.960 0.001 0.000 0.224 31 G C 0.690 175.717 174.900 0.212 0.000 0.990 31 G CA 0.156 45.319 45.100 0.106 0.000 0.639 31 G HN 1.330 nan 8.290 nan 0.000 0.514 32 V N 1.025 121.061 119.914 0.203 0.000 2.490 32 V HA -0.112 4.009 4.120 0.001 0.000 0.250 32 V C 2.383 178.572 176.094 0.159 0.000 1.061 32 V CA 2.612 65.057 62.300 0.241 0.000 1.064 32 V CB -0.312 31.639 31.823 0.213 0.000 0.670 32 V HN 0.453 nan 8.190 nan 0.000 0.461 33 D N -0.152 120.315 120.400 0.113 0.000 2.309 33 D HA -0.107 4.534 4.640 0.001 0.000 0.212 33 D C 2.194 178.536 176.300 0.069 0.000 0.968 33 D CA 1.010 55.060 54.000 0.083 0.000 0.882 33 D CB -0.017 40.820 40.800 0.061 0.000 0.918 33 D HN 0.363 nan 8.370 nan 0.000 0.503 34 S N -0.785 114.962 115.700 0.079 0.000 2.561 34 S HA 0.166 4.637 4.470 0.001 0.000 0.225 34 S C 1.009 175.622 174.600 0.022 0.000 0.977 34 S CA 0.273 58.503 58.200 0.050 0.000 0.926 34 S CB 0.176 63.412 63.200 0.060 0.000 0.769 34 S HN 0.348 nan 8.310 nan 0.000 0.533 35 G N 0.964 109.789 108.800 0.042 0.000 2.537 35 G HA2 0.376 4.337 3.960 0.001 0.000 0.273 35 G HA3 0.376 4.337 3.960 0.001 0.000 0.273 35 G C -0.330 174.543 174.900 -0.045 0.000 1.189 35 G CA -0.715 44.373 45.100 -0.021 0.000 0.881 35 G HN 0.327 nan 8.290 nan 0.000 0.535 36 R N 1.468 121.862 120.500 -0.177 0.000 2.421 36 R HA 0.168 4.509 4.340 0.001 0.000 0.305 36 R C -2.253 174.103 176.300 0.093 0.000 1.039 36 R CA -1.010 55.030 56.100 -0.100 0.000 1.003 36 R CB 0.297 30.434 30.300 -0.271 0.000 0.959 36 R HN 0.175 nan 8.270 nan 0.000 0.427 37 P HA 0.037 nan 4.420 nan 0.000 0.268 37 P C -0.746 176.676 177.300 0.204 0.000 1.204 37 P CA 0.281 63.476 63.100 0.158 0.000 0.768 37 P CB 0.592 32.368 31.700 0.127 0.000 0.842 38 I N 1.270 121.969 120.570 0.216 0.000 2.918 38 I HA 0.635 4.805 4.170 0.001 0.000 0.301 38 I C -0.642 175.553 176.117 0.131 0.000 1.312 38 I CA -0.879 60.522 61.300 0.168 0.000 1.007 38 I CB 2.208 40.320 38.000 0.186 0.000 1.281 38 I HN 0.400 nan 8.210 nan 0.000 0.440 39 G N 5.010 113.816 108.800 0.010 0.000 2.343 39 G HA2 0.606 4.567 3.960 0.001 0.000 0.319 39 G HA3 0.606 4.567 3.960 0.001 0.000 0.319 39 G C -1.510 173.310 174.900 -0.132 0.000 1.126 39 G CA -0.350 44.723 45.100 -0.044 0.000 0.889 39 G HN 0.387 nan 8.290 nan 0.000 0.457 40 V N 2.882 122.800 119.914 0.007 0.000 2.443 40 V HA 0.366 4.487 4.120 0.001 0.000 0.293 40 V C -0.099 176.060 176.094 0.108 0.000 1.021 40 V CA -0.734 61.580 62.300 0.023 0.000 0.848 40 V CB 1.499 33.334 31.823 0.020 0.000 0.998 40 V HN 0.571 nan 8.190 nan 0.000 0.424 41 V N 6.699 126.691 119.914 0.130 0.000 2.539 41 V HA 0.428 4.549 4.120 0.001 0.000 0.292 41 V C -2.148 174.106 176.094 0.267 0.000 1.045 41 V CA -2.175 60.241 62.300 0.193 0.000 0.945 41 V CB 1.861 33.777 31.823 0.154 0.000 0.993 41 V HN 0.703 nan 8.190 nan 0.000 0.464 42 P HA 0.063 nan 4.420 nan 0.000 0.264 42 P C -0.608 176.916 177.300 0.373 0.000 1.183 42 P CA 0.027 63.263 63.100 0.227 0.000 0.763 42 P CB 0.115 31.900 31.700 0.143 0.000 0.807 43 F N 1.217 121.199 119.950 0.052 0.000 2.459 43 F HA 0.184 4.712 4.527 0.001 0.000 0.346 43 F C 1.436 177.305 175.800 0.116 0.000 1.128 43 F CA -0.230 57.816 58.000 0.077 0.000 1.268 43 F CB -0.131 38.915 39.000 0.076 0.000 1.161 43 F HN 0.286 nan 8.300 nan 0.000 0.583 44 Q N 2.959 122.905 119.800 0.244 0.000 2.364 44 Q HA 0.048 4.389 4.340 0.001 0.000 0.267 44 Q C -0.966 175.229 176.000 0.325 0.000 0.999 44 Q CA 0.233 56.163 55.803 0.211 0.000 0.886 44 Q CB 0.489 29.288 28.738 0.103 0.000 1.243 44 Q HN 0.656 nan 8.270 nan 0.000 0.415 45 W N 4.252 125.607 121.300 0.091 0.000 2.411 45 W HA 0.621 5.282 4.660 0.001 0.000 0.317 45 W C -1.203 175.362 176.519 0.077 0.000 1.030 45 W CA -1.184 56.215 57.345 0.090 0.000 1.239 45 W CB 1.042 30.547 29.460 0.075 0.000 1.304 45 W HN 0.750 nan 8.180 nan 0.000 0.437 46 A N 5.211 127.785 122.820 -0.410 0.000 3.118 46 A HA 0.562 4.883 4.320 0.001 0.000 0.256 46 A C 0.181 177.124 177.584 -1.068 0.000 1.667 46 A CA 0.366 52.069 52.037 -0.556 0.000 1.338 46 A CB -0.781 18.062 19.000 -0.262 0.000 1.127 46 A HN 0.793 nan 8.150 nan 0.000 0.634 47 G N 0.350 108.247 108.800 -1.505 0.000 2.559 47 G HA2 0.641 4.602 3.960 0.001 0.000 0.291 47 G HA3 0.641 4.602 3.960 0.001 0.000 0.291 47 G C -3.403 171.190 174.900 -0.511 0.000 1.424 47 G CA -0.825 43.598 45.100 -1.127 0.000 0.786 47 G HN 0.148 nan 8.290 nan 0.000 0.485 48 P HA 0.514 nan 4.420 nan 0.000 0.278 48 P C 1.105 178.610 177.300 0.342 0.000 1.266 48 P CA 1.023 64.193 63.100 0.117 0.000 0.807 48 P CB 1.076 32.829 31.700 0.088 0.000 1.094 49 G N 0.726 109.668 108.800 0.237 0.000 2.627 49 G HA2 -0.186 3.775 3.960 0.001 0.000 0.312 49 G HA3 -0.186 3.775 3.960 0.001 0.000 0.312 49 G C 0.125 175.186 174.900 0.268 0.000 1.299 49 G CA 0.334 45.562 45.100 0.212 0.000 0.989 49 G HN 0.850 nan 8.290 nan 0.000 0.547 50 A N 0.142 123.040 122.820 0.130 0.000 2.409 50 A HA 0.779 5.099 4.320 0.001 0.000 0.262 50 A C 0.907 178.267 177.584 -0.374 0.000 1.113 50 A CA 1.087 53.096 52.037 -0.046 0.000 0.790 50 A CB 0.279 19.235 19.000 -0.074 0.000 1.046 50 A HN 2.433 nan 8.150 nan 0.000 0.496 51 A N 4.241 126.644 122.820 -0.695 0.000 2.483 51 A HA 0.468 4.789 4.320 0.001 0.000 0.238 51 A C -0.661 176.426 177.584 -0.827 0.000 1.070 51 A CA -0.636 50.609 52.037 -1.321 0.000 0.770 51 A CB -0.189 18.357 19.000 -0.756 0.000 1.008 51 A HN 0.717 nan 8.150 nan 0.000 0.497 52 P HA -0.021 nan 4.420 nan 0.000 0.221 52 P C 0.202 177.248 177.300 -0.423 0.000 1.150 52 P CA 1.336 64.089 63.100 -0.578 0.000 0.800 52 P CB 0.324 31.588 31.700 -0.727 0.000 0.787 53 E N -0.797 119.139 120.200 -0.441 0.000 2.412 53 E HA 0.294 4.645 4.350 0.001 0.000 0.279 53 E C -1.745 174.666 176.600 -0.316 0.000 0.984 53 E CA -0.748 55.458 56.400 -0.324 0.000 0.788 53 E CB 0.882 30.402 29.700 -0.300 0.000 1.277 53 E HN -0.337 nan 8.360 nan 0.000 0.455 54 D N 4.234 124.470 120.400 -0.274 0.000 2.524 54 D HA 0.168 4.809 4.640 0.001 0.000 0.222 54 D C 0.910 177.007 176.300 -0.338 0.000 1.142 54 D CA -0.233 53.615 54.000 -0.254 0.000 0.973 54 D CB 0.070 40.759 40.800 -0.185 0.000 1.025 54 D HN 0.409 nan 8.370 nan 0.000 0.519 55 I N 1.913 122.217 120.570 -0.443 0.000 2.226 55 I HA -0.135 4.036 4.170 0.001 0.000 0.245 55 I C 2.344 177.972 176.117 -0.814 0.000 1.100 55 I CA 1.021 61.929 61.300 -0.653 0.000 1.374 55 I CB -1.325 36.208 38.000 -0.779 0.000 1.057 55 I HN 0.402 nan 8.210 nan 0.000 0.413 56 G N 0.712 109.002 108.800 -0.850 0.000 2.442 56 G HA2 -0.188 3.773 3.960 0.001 0.000 0.219 56 G HA3 -0.188 3.773 3.960 0.001 0.000 0.219 56 G C 1.749 176.507 174.900 -0.238 0.000 1.141 56 G CA 0.877 45.708 45.100 -0.448 0.000 0.763 56 G HN 0.489 nan 8.290 nan 0.000 0.554 57 G N 0.863 109.534 108.800 -0.216 0.000 2.408 57 G HA2 -0.122 3.839 3.960 0.001 0.000 0.217 57 G HA3 -0.122 3.839 3.960 0.001 0.000 0.217 57 G C 1.744 176.536 174.900 -0.180 0.000 1.150 57 G CA 0.710 45.721 45.100 -0.149 0.000 0.776 57 G HN 0.455 nan 8.290 nan 0.000 0.542 58 I N 0.317 120.725 120.570 -0.270 0.000 2.252 58 I HA -0.130 4.040 4.170 0.001 0.000 0.245 58 I C 2.738 178.700 176.117 -0.258 0.000 1.102 58 I CA 0.417 61.545 61.300 -0.286 0.000 1.385 58 I CB -0.208 37.541 38.000 -0.419 0.000 1.064 58 I HN 0.016 nan 8.210 nan 0.000 0.414 59 V N 1.115 120.855 119.914 -0.289 0.000 2.295 59 V HA -0.296 3.825 4.120 0.001 0.000 0.246 59 V C 2.737 178.695 176.094 -0.227 0.000 1.049 59 V CA 2.035 64.170 62.300 -0.275 0.000 1.024 59 V CB -1.060 30.632 31.823 -0.218 0.000 0.648 59 V HN 0.488 nan 8.190 nan 0.000 0.447 60 A N 0.054 122.787 122.820 -0.145 0.000 1.877 60 A HA -0.134 4.186 4.320 0.001 0.000 0.216 60 A C 2.437 179.990 177.584 -0.053 0.000 1.186 60 A CA 2.225 54.217 52.037 -0.074 0.000 0.620 60 A CB -0.871 18.117 19.000 -0.020 0.000 0.822 60 A HN 0.574 nan 8.150 nan 0.000 0.443 61 A N -0.066 122.720 122.820 -0.056 0.000 1.902 61 A HA -0.189 4.132 4.320 0.001 0.000 0.217 61 A C 1.800 179.384 177.584 -0.001 0.000 1.181 61 A CA 1.948 53.988 52.037 0.004 0.000 0.623 61 A CB -0.648 18.359 19.000 0.012 0.000 0.818 61 A HN 0.466 nan 8.150 nan 0.000 0.443 62 D N 0.187 120.495 120.400 -0.154 0.000 2.092 62 D HA -0.144 4.497 4.640 0.001 0.000 0.193 62 D C 1.971 178.026 176.300 -0.410 0.000 0.994 62 D CA 1.272 55.000 54.000 -0.453 0.000 0.828 62 D CB -0.428 39.679 40.800 -1.154 0.000 0.963 62 D HN 0.445 nan 8.370 nan 0.000 0.450 63 L N 0.208 121.244 121.223 -0.311 0.000 2.083 63 L HA -0.120 4.221 4.340 0.001 0.000 0.209 63 L C 2.653 179.665 176.870 0.235 0.000 1.083 63 L CA 0.885 55.723 54.840 -0.003 0.000 0.752 63 L CB -0.313 41.621 42.059 -0.209 0.000 0.899 63 L HN -0.011 nan 8.230 nan 0.000 0.433 64 R N 0.420 121.013 120.500 0.155 0.000 2.073 64 R HA -0.156 4.185 4.340 0.001 0.000 0.234 64 R C 2.044 178.457 176.300 0.189 0.000 1.134 64 R CA 1.621 57.847 56.100 0.211 0.000 0.952 64 R CB -0.083 30.333 30.300 0.193 0.000 0.850 64 R HN 0.374 nan 8.270 nan 0.000 0.433 65 N N 0.284 119.102 118.700 0.197 0.000 2.364 65 N HA -0.137 4.604 4.740 0.001 0.000 0.183 65 N C 1.628 177.076 175.510 -0.102 0.000 1.022 65 N CA 1.560 54.736 53.050 0.211 0.000 0.883 65 N CB -0.178 38.561 38.487 0.419 0.000 0.965 65 N HN 0.337 nan 8.380 nan 0.000 0.438 66 S N -0.848 114.873 115.700 0.034 0.000 2.481 66 S HA 0.081 4.552 4.470 0.001 0.000 0.231 66 S C 1.657 176.086 174.600 -0.284 0.000 0.996 66 S CA 0.964 59.154 58.200 -0.017 0.000 0.942 66 S CB -0.198 63.214 63.200 0.353 0.000 0.768 66 S HN 0.422 nan 8.310 nan 0.000 0.520 67 G N 1.526 110.010 108.800 -0.528 0.000 2.212 67 G HA2 -0.274 3.686 3.960 0.001 0.000 0.266 67 G HA3 -0.274 3.686 3.960 0.001 0.000 0.266 67 G C 0.905 175.775 174.900 -0.050 0.000 0.978 67 G CA 0.588 45.443 45.100 -0.408 0.000 0.632 67 G HN 0.514 nan 8.290 nan 0.000 0.537 68 K N -0.814 119.604 120.400 0.030 0.000 2.367 68 K HA 0.387 4.708 4.320 0.001 0.000 0.194 68 K C 0.108 176.408 176.600 -0.500 0.000 1.027 68 K CA 0.381 56.566 56.287 -0.170 0.000 1.075 68 K CB 0.440 32.860 32.500 -0.133 0.000 0.845 68 K HN 0.416 nan 8.250 nan 0.000 0.529 69 F N 0.080 120.089 119.950 0.099 0.000 2.599 69 F HA 0.295 4.824 4.527 0.003 0.000 0.311 69 F C 0.106 175.967 175.800 0.101 0.000 1.076 69 F CA -1.327 56.728 58.000 0.093 0.000 0.937 69 F CB 1.370 40.433 39.000 0.105 0.000 1.282 69 F HN -0.238 nan 8.300 nan 0.000 0.460 70 N N 2.672 121.543 118.700 0.285 0.000 2.804 70 N HA 0.412 5.153 4.740 0.001 0.000 0.251 70 N C -3.148 172.483 175.510 0.201 0.000 1.250 70 N CA -2.365 50.810 53.050 0.208 0.000 0.820 70 N CB 0.900 39.477 38.487 0.150 0.000 1.156 70 N HN 0.048 nan 8.380 nan 0.000 0.512 71 P HA 0.062 nan 4.420 nan 0.000 0.271 71 P C -0.107 177.283 177.300 0.149 0.000 1.216 71 P CA -0.531 62.662 63.100 0.154 0.000 0.771 71 P CB 0.632 32.397 31.700 0.108 0.000 0.864 72 L N 3.467 124.795 121.223 0.176 0.000 2.490 72 L HA 0.060 4.401 4.340 0.001 0.000 0.274 72 L C 0.543 177.496 176.870 0.139 0.000 1.201 72 L CA 0.244 55.186 54.840 0.170 0.000 0.869 72 L CB -0.525 41.678 42.059 0.240 0.000 1.123 72 L HN 0.339 nan 8.230 nan 0.000 0.484 73 D N 3.661 124.124 120.400 0.104 0.000 2.531 73 D HA -0.117 4.524 4.640 0.001 0.000 0.239 73 D C 1.245 177.595 176.300 0.085 0.000 1.144 73 D CA 0.449 54.498 54.000 0.082 0.000 0.869 73 D CB 0.603 41.440 40.800 0.061 0.000 1.160 73 D HN 0.642 nan 8.370 nan 0.000 0.484 74 R N 3.323 123.870 120.500 0.079 0.000 2.139 74 R HA -0.201 4.140 4.340 0.001 0.000 0.243 74 R C 1.806 178.144 176.300 0.063 0.000 1.145 74 R CA 1.636 57.785 56.100 0.082 0.000 0.976 74 R CB -0.203 30.137 30.300 0.066 0.000 0.866 74 R HN 0.528 nan 8.270 nan 0.000 0.449 75 A N 0.533 123.381 122.820 0.046 0.000 2.125 75 A HA -0.105 4.215 4.320 0.001 0.000 0.219 75 A C 1.718 179.313 177.584 0.019 0.000 1.156 75 A CA 1.139 53.194 52.037 0.030 0.000 0.671 75 A CB -0.176 18.838 19.000 0.025 0.000 0.794 75 A HN 0.356 nan 8.150 nan 0.000 0.459 76 R N -0.844 119.669 120.500 0.022 0.000 2.397 76 R HA 0.317 4.658 4.340 0.001 0.000 0.241 76 R C -0.518 175.756 176.300 -0.043 0.000 0.914 76 R CA -0.356 55.741 56.100 -0.005 0.000 1.071 76 R CB 0.075 30.379 30.300 0.006 0.000 1.116 76 R HN 0.380 nan 8.270 nan 0.000 0.524 77 L N 3.409 124.623 121.223 -0.015 0.000 2.540 77 L HA 0.048 4.389 4.340 0.001 0.000 0.276 77 L C -0.987 175.754 176.870 -0.215 0.000 1.212 77 L CA -0.969 53.821 54.840 -0.085 0.000 0.893 77 L CB 0.214 42.335 42.059 0.103 0.000 1.138 77 L HN -0.091 nan 8.230 nan 0.000 0.491 78 P HA -0.095 nan 4.420 nan 0.000 0.225 78 P C -0.311 176.833 177.300 -0.259 0.000 1.156 78 P CA 0.949 63.806 63.100 -0.404 0.000 0.787 78 P CB 0.421 31.742 31.700 -0.631 0.000 0.802 79 Q N -2.285 117.397 119.800 -0.196 0.000 2.575 79 Q HA 0.424 4.765 4.340 0.001 0.000 0.290 79 Q C -1.073 175.024 176.000 0.162 0.000 0.963 79 Q CA -0.886 54.924 55.803 0.012 0.000 0.783 79 Q CB 0.794 29.566 28.738 0.056 0.000 1.467 79 Q HN -0.209 nan 8.270 nan 0.000 0.402 80 Q N 1.182 121.074 119.800 0.153 0.000 2.851 80 Q HA 0.323 4.664 4.340 0.001 0.000 0.331 80 Q C -2.293 173.800 176.000 0.154 0.000 0.979 80 Q CA -1.718 54.193 55.803 0.179 0.000 0.955 80 Q CB 1.228 30.045 28.738 0.132 0.000 1.298 80 Q HN 0.457 nan 8.270 nan 0.000 0.432 81 P HA 0.028 nan 4.420 nan 0.000 0.271 81 P C 0.457 177.793 177.300 0.061 0.000 1.216 81 P CA 0.184 63.352 63.100 0.113 0.000 0.771 81 P CB 1.230 33.006 31.700 0.128 0.000 0.864 82 G N 0.821 109.641 108.800 0.033 0.000 3.126 82 G HA2 0.248 4.209 3.960 0.001 0.000 0.224 82 G HA3 0.248 4.209 3.960 0.001 0.000 0.224 82 G C 0.173 175.045 174.900 -0.047 0.000 1.142 82 G CA 0.125 45.227 45.100 0.003 0.000 0.759 82 G HN 0.740 nan 8.290 nan 0.000 0.550 83 S N -2.446 113.227 115.700 -0.045 0.000 2.615 83 S HA 0.650 5.121 4.470 0.001 0.000 0.269 83 S C 0.957 175.521 174.600 -0.060 0.000 1.161 83 S CA 0.246 58.405 58.200 -0.068 0.000 0.817 83 S CB 1.209 64.380 63.200 -0.049 0.000 1.131 83 S HN 0.528 nan 8.310 nan 0.000 0.467 84 A N 0.868 123.644 122.820 -0.075 0.000 1.883 84 A HA -0.089 4.232 4.320 0.001 0.000 0.217 84 A C 2.060 179.624 177.584 -0.032 0.000 1.186 84 A CA 1.896 53.895 52.037 -0.064 0.000 0.624 84 A CB -1.311 17.645 19.000 -0.073 0.000 0.822 84 A HN 0.861 nan 8.150 nan 0.000 0.444 85 Q N -0.720 119.064 119.800 -0.026 0.000 2.234 85 Q HA -0.179 4.161 4.340 0.001 0.000 0.206 85 Q C 1.682 177.688 176.000 0.010 0.000 0.980 85 Q CA 1.460 57.258 55.803 -0.009 0.000 0.869 85 Q CB -0.110 28.620 28.738 -0.012 0.000 0.912 85 Q HN 0.757 nan 8.270 nan 0.000 0.436 86 E N -0.144 120.064 120.200 0.014 0.000 2.371 86 E HA -0.002 4.349 4.350 0.001 0.000 0.194 86 E C -0.082 176.563 176.600 0.075 0.000 1.012 86 E CA -0.124 56.300 56.400 0.039 0.000 0.860 86 E CB 0.497 30.220 29.700 0.037 0.000 0.811 86 E HN 0.051 nan 8.360 nan 0.000 0.502 87 V N 2.237 122.191 119.914 0.066 0.000 2.599 87 V HA -0.088 4.032 4.120 0.001 0.000 0.300 87 V C 0.367 176.551 176.094 0.150 0.000 1.034 87 V CA 0.645 63.019 62.300 0.122 0.000 1.115 87 V CB 0.909 32.744 31.823 0.020 0.000 0.934 87 V HN 0.176 nan 8.190 nan 0.000 0.485 88 Q N 6.851 126.798 119.800 0.244 0.000 2.509 88 Q HA 0.270 4.611 4.340 0.001 0.000 0.236 88 Q C -1.874 174.290 176.000 0.273 0.000 1.073 88 Q CA -1.803 54.111 55.803 0.186 0.000 0.867 88 Q CB 1.488 30.300 28.738 0.123 0.000 1.181 88 Q HN 0.506 nan 8.270 nan 0.000 0.526 89 P HA -0.205 nan 4.420 nan 0.000 0.216 89 P C 0.755 178.188 177.300 0.222 0.000 1.150 89 P CA 1.602 64.842 63.100 0.233 0.000 0.843 89 P CB 0.243 32.015 31.700 0.120 0.000 0.787 90 A N -0.127 122.772 122.820 0.132 0.000 2.024 90 A HA -0.119 4.201 4.320 0.001 0.000 0.220 90 A C 2.275 179.890 177.584 0.053 0.000 1.164 90 A CA 1.907 53.994 52.037 0.083 0.000 0.643 90 A CB -1.505 17.523 19.000 0.047 0.000 0.806 90 A HN 0.215 nan 8.150 nan 0.000 0.451 91 A N -1.608 121.225 122.820 0.022 0.000 2.015 91 A HA -0.064 4.257 4.320 0.001 0.000 0.219 91 A C 1.866 179.294 177.584 -0.259 0.000 1.163 91 A CA 1.268 53.204 52.037 -0.169 0.000 0.646 91 A CB -0.635 18.180 19.000 -0.308 0.000 0.806 91 A HN 0.762 nan 8.150 nan 0.000 0.448 92 W N 0.163 121.478 121.300 0.025 0.000 2.574 92 W HA 0.009 4.669 4.660 0.000 0.000 0.282 92 W C 2.794 179.331 176.519 0.030 0.000 1.197 92 W CA 0.945 58.308 57.345 0.030 0.000 1.376 92 W CB -0.431 29.049 29.460 0.033 0.000 1.091 92 W HN 0.359 nan 8.180 nan 0.000 0.569 93 S N 0.633 116.477 115.700 0.241 0.000 2.399 93 S HA -0.117 4.354 4.470 0.001 0.000 0.231 93 S C 1.915 176.569 174.600 0.091 0.000 1.022 93 S CA 1.094 59.381 58.200 0.145 0.000 0.983 93 S CB -0.956 62.311 63.200 0.112 0.000 0.803 93 S HN 0.136 nan 8.310 nan 0.000 0.480 94 A N 1.248 124.104 122.820 0.059 0.000 2.125 94 A HA 0.239 4.560 4.320 0.001 0.000 0.219 94 A C 1.930 179.526 177.584 0.020 0.000 1.156 94 A CA 0.972 53.022 52.037 0.022 0.000 0.671 94 A CB -0.586 18.407 19.000 -0.011 0.000 0.794 94 A HN 0.602 nan 8.150 nan 0.000 0.459 95 L N -1.895 119.352 121.223 0.040 0.000 2.808 95 L HA 0.326 4.666 4.340 0.001 0.000 0.246 95 L C 1.388 178.307 176.870 0.082 0.000 1.153 95 L CA 0.387 55.254 54.840 0.046 0.000 0.956 95 L CB 0.184 42.260 42.059 0.029 0.000 1.270 95 L HN 0.473 nan 8.230 nan 0.000 0.528 96 G N 1.203 110.056 108.800 0.089 0.000 2.136 96 G HA2 -0.267 3.694 3.960 0.001 0.000 0.242 96 G HA3 -0.267 3.694 3.960 0.001 0.000 0.242 96 G C 0.032 175.002 174.900 0.117 0.000 0.989 96 G CA -0.164 44.990 45.100 0.089 0.000 0.682 96 G HN 0.288 nan 8.290 nan 0.000 0.522 97 I N 1.352 122.021 120.570 0.166 0.000 2.339 97 I HA 0.350 4.520 4.170 0.001 0.000 0.290 97 I C 0.640 176.855 176.117 0.163 0.000 0.994 97 I CA -0.494 60.923 61.300 0.194 0.000 1.191 97 I CB 1.550 39.740 38.000 0.317 0.000 1.343 97 I HN 0.190 nan 8.210 nan 0.000 0.458 98 D N 4.851 125.317 120.400 0.109 0.000 2.395 98 D HA 0.303 4.944 4.640 0.001 0.000 0.213 98 D C -0.058 176.263 176.300 0.036 0.000 1.110 98 D CA -0.098 53.947 54.000 0.075 0.000 0.835 98 D CB 0.772 41.609 40.800 0.062 0.000 0.965 98 D HN 0.396 nan 8.370 nan 0.000 0.505 99 A N -0.343 122.484 122.820 0.011 0.000 2.574 99 A HA 0.643 4.964 4.320 0.001 0.000 0.297 99 A C -1.625 175.856 177.584 -0.172 0.000 1.062 99 A CA -0.685 51.319 52.037 -0.056 0.000 0.686 99 A CB 1.985 20.984 19.000 -0.002 0.000 1.285 99 A HN 0.035 nan 8.150 nan 0.000 0.403 100 V N 1.534 121.281 119.914 -0.279 0.000 2.686 100 V HA 0.490 4.611 4.120 0.001 0.000 0.306 100 V C -0.514 175.418 176.094 -0.271 0.000 1.065 100 V CA -0.644 61.375 62.300 -0.469 0.000 0.894 100 V CB 1.870 33.124 31.823 -0.949 0.000 1.004 100 V HN 0.765 nan 8.190 nan 0.000 0.424 101 V N 5.572 125.368 119.914 -0.196 0.000 2.383 101 V HA 0.596 4.717 4.120 0.001 0.000 0.275 101 V C 0.116 176.167 176.094 -0.072 0.000 1.036 101 V CA -0.310 61.953 62.300 -0.061 0.000 0.889 101 V CB 1.460 33.298 31.823 0.025 0.000 0.985 101 V HN 0.762 nan 8.190 nan 0.000 0.459 102 V N 2.332 122.164 119.914 -0.137 0.000 3.113 102 V HA 1.162 5.283 4.120 0.001 0.000 0.316 102 V C 0.152 175.851 176.094 -0.660 0.000 1.125 102 V CA -0.161 61.984 62.300 -0.259 0.000 1.026 102 V CB 1.762 33.473 31.823 -0.188 0.000 1.080 102 V HN 1.102 nan 8.190 nan 0.000 0.444 103 G N 0.734 108.924 108.800 -1.016 0.000 2.495 103 G HA2 0.635 4.596 3.960 0.001 0.000 0.294 103 G HA3 0.635 4.596 3.960 0.001 0.000 0.294 103 G C -2.215 172.264 174.900 -0.703 0.000 1.397 103 G CA -0.760 43.493 45.100 -1.412 0.000 0.790 103 G HN 0.889 nan 8.290 nan 0.000 0.486 104 Q N -1.253 118.386 119.800 -0.268 0.000 2.389 104 Q HA 0.684 5.025 4.340 0.001 0.000 0.277 104 Q C -0.920 175.259 176.000 0.297 0.000 1.082 104 Q CA -0.752 55.101 55.803 0.083 0.000 0.810 104 Q CB 3.052 31.804 28.738 0.023 0.000 1.374 104 Q HN 0.518 nan 8.270 nan 0.000 0.422 105 V N 1.364 121.507 119.914 0.382 0.000 2.487 105 V HA 0.835 4.956 4.120 0.001 0.000 0.298 105 V C -0.653 175.744 176.094 0.505 0.000 1.028 105 V CA -0.617 61.951 62.300 0.446 0.000 0.860 105 V CB 1.760 33.832 31.823 0.415 0.000 0.991 105 V HN 0.931 nan 8.190 nan 0.000 0.427 106 T N 3.226 118.038 114.554 0.430 0.000 2.893 106 T HA 0.685 5.036 4.350 0.001 0.000 0.293 106 T C -3.142 171.775 174.700 0.363 0.000 1.027 106 T CA -2.255 60.022 62.100 0.295 0.000 0.988 106 T CB 2.684 71.629 68.868 0.128 0.000 1.043 106 T HN 0.446 nan 8.240 nan 0.000 0.461 107 P HA 0.385 nan 4.420 nan 0.000 0.284 107 P C -0.949 176.336 177.300 -0.025 0.000 1.253 107 P CA -0.605 62.549 63.100 0.090 0.000 0.800 107 P CB 0.853 32.609 31.700 0.093 0.000 0.961 108 N N 3.207 121.844 118.700 -0.105 0.000 2.466 108 N HA 0.266 5.006 4.740 0.001 0.000 0.294 108 N C -1.633 173.831 175.510 -0.076 0.000 1.129 108 N CA -1.856 51.155 53.050 -0.065 0.000 0.931 108 N CB 0.487 38.949 38.487 -0.042 0.000 1.193 108 N HN 0.238 nan 8.380 nan 0.000 0.500 109 P HA -0.108 nan 4.420 nan 0.000 0.221 109 P C 0.455 177.735 177.300 -0.034 0.000 1.145 109 P CA 1.132 64.211 63.100 -0.035 0.000 0.795 109 P CB 0.156 31.843 31.700 -0.021 0.000 0.775 110 D N -1.591 118.787 120.400 -0.036 0.000 2.349 110 D HA 0.062 4.703 4.640 0.001 0.000 0.224 110 D C 1.437 177.714 176.300 -0.038 0.000 1.029 110 D CA 0.653 54.637 54.000 -0.026 0.000 0.879 110 D CB -0.877 39.916 40.800 -0.013 0.000 0.906 110 D HN 0.245 nan 8.370 nan 0.000 0.528 111 G N -0.080 108.670 108.800 -0.083 0.000 2.195 111 G HA2 -0.290 3.671 3.960 0.001 0.000 0.246 111 G HA3 -0.290 3.671 3.960 0.001 0.000 0.246 111 G C 0.491 175.257 174.900 -0.223 0.000 0.984 111 G CA 0.478 45.506 45.100 -0.119 0.000 0.633 111 G HN 0.827 nan 8.290 nan 0.000 0.525 112 S N -0.669 114.926 115.700 -0.175 0.000 2.661 112 S HA 0.795 5.266 4.470 0.001 0.000 0.265 112 S C -0.207 174.174 174.600 -0.365 0.000 1.225 112 S CA -0.361 57.762 58.200 -0.129 0.000 0.986 112 S CB 1.333 64.549 63.200 0.027 0.000 1.008 112 S HN 0.597 nan 8.310 nan 0.000 0.565 113 Y N -0.604 119.789 120.300 0.156 0.000 2.545 113 Y HA 0.454 5.005 4.550 0.002 0.000 0.348 113 Y C -0.322 175.685 175.900 0.179 0.000 1.002 113 Y CA -1.030 57.180 58.100 0.183 0.000 1.039 113 Y CB 1.797 40.375 38.460 0.197 0.000 1.271 113 Y HN 0.712 nan 8.280 nan 0.000 0.467 114 N N 0.681 119.584 118.700 0.338 0.000 2.421 114 N HA 0.613 5.354 4.740 0.001 0.000 0.285 114 N C -1.702 173.987 175.510 0.300 0.000 1.027 114 N CA -0.632 52.574 53.050 0.260 0.000 0.918 114 N CB 1.897 40.483 38.487 0.163 0.000 1.152 114 N HN 0.192 nan 8.380 nan 0.000 0.485 115 V N 1.369 121.465 119.914 0.302 0.000 2.407 115 V HA 0.753 4.874 4.120 0.001 0.000 0.291 115 V C -0.410 175.843 176.094 0.266 0.000 1.018 115 V CA -0.668 61.842 62.300 0.350 0.000 0.842 115 V CB 0.960 33.029 31.823 0.410 0.000 0.996 115 V HN 0.820 nan 8.190 nan 0.000 0.426 116 A N 5.243 128.188 122.820 0.210 0.000 2.365 116 A HA 0.967 5.288 4.320 0.001 0.000 0.318 116 A C -1.181 176.426 177.584 0.037 0.000 1.091 116 A CA -0.576 51.468 52.037 0.012 0.000 0.763 116 A CB 1.510 20.456 19.000 -0.090 0.000 1.248 116 A HN 1.118 nan 8.150 nan 0.000 0.442 117 Y N -0.247 120.002 120.300 -0.086 0.000 2.576 117 Y HA 0.816 5.367 4.550 0.001 0.000 0.346 117 Y C -0.838 174.967 175.900 -0.158 0.000 1.018 117 Y CA -1.156 56.840 58.100 -0.173 0.000 1.050 117 Y CB 1.488 40.001 38.460 0.088 0.000 1.280 117 Y HN 0.548 nan 8.280 nan 0.000 0.474 118 Q N 2.725 122.384 119.800 -0.235 0.000 2.347 118 Q HA 0.495 4.836 4.340 0.001 0.000 0.271 118 Q C -1.921 174.098 176.000 0.032 0.000 1.064 118 Q CA -0.775 54.893 55.803 -0.224 0.000 0.800 118 Q CB 2.867 31.478 28.738 -0.211 0.000 1.304 118 Q HN 0.814 nan 8.270 nan 0.000 0.438 119 L N 2.690 123.971 121.223 0.096 0.000 2.265 119 L HA 0.644 4.985 4.340 0.001 0.000 0.289 119 L C -1.458 175.405 176.870 -0.011 0.000 1.033 119 L CA -0.477 54.412 54.840 0.082 0.000 0.814 119 L CB 1.107 43.261 42.059 0.158 0.000 1.203 119 L HN 0.513 nan 8.230 nan 0.000 0.423 120 V N 4.773 124.648 119.914 -0.065 0.000 2.417 120 V HA 0.324 4.445 4.120 0.001 0.000 0.291 120 V C -0.124 175.925 176.094 -0.076 0.000 1.024 120 V CA -0.861 61.392 62.300 -0.079 0.000 0.861 120 V CB 1.562 33.317 31.823 -0.113 0.000 0.985 120 V HN 0.731 nan 8.190 nan 0.000 0.436 121 D N 3.429 123.805 120.400 -0.040 0.000 2.390 121 D HA 0.098 4.739 4.640 0.001 0.000 0.249 121 D C 0.421 176.712 176.300 -0.016 0.000 1.144 121 D CA 0.190 54.178 54.000 -0.020 0.000 0.880 121 D CB 1.658 42.456 40.800 -0.003 0.000 1.182 121 D HN 0.774 nan 8.370 nan 0.000 0.451 122 T N 0.749 115.303 114.554 -0.000 0.000 3.448 122 T HA 0.507 4.857 4.350 0.001 0.000 0.271 122 T C 0.528 175.267 174.700 0.065 0.000 1.002 122 T CA -0.377 61.749 62.100 0.044 0.000 0.995 122 T CB 0.662 69.573 68.868 0.072 0.000 1.153 122 T HN 0.334 nan 8.240 nan 0.000 0.510 123 G N 1.058 109.884 108.800 0.044 0.000 2.710 123 G HA2 0.529 4.490 3.960 0.001 0.000 0.198 123 G HA3 0.529 4.490 3.960 0.001 0.000 0.198 123 G C 1.180 176.100 174.900 0.034 0.000 1.797 123 G CA 0.170 45.297 45.100 0.044 0.000 0.759 123 G HN 0.327 nan 8.290 nan 0.000 0.808 124 G N 0.161 108.976 108.800 0.026 0.000 2.448 124 G HA2 0.355 4.316 3.960 0.001 0.000 0.218 124 G HA3 0.355 4.316 3.960 0.001 0.000 0.218 124 G C 0.779 175.689 174.900 0.017 0.000 1.135 124 G CA 1.566 46.678 45.100 0.020 0.000 0.784 124 G HN 1.197 nan 8.290 nan 0.000 0.543 125 A N 1.149 123.978 122.820 0.016 0.000 3.204 125 A HA 0.632 4.953 4.320 0.001 0.000 0.327 125 A C -2.647 174.944 177.584 0.012 0.000 0.998 125 A CA -1.209 50.835 52.037 0.012 0.000 0.891 125 A CB 0.870 19.874 19.000 0.007 0.000 1.061 125 A HN 0.109 nan 8.150 nan 0.000 0.478 126 P HA 0.196 nan 4.420 nan 0.000 0.263 126 P C 1.081 178.390 177.300 0.016 0.000 1.195 126 P CA 1.999 65.114 63.100 0.025 0.000 0.762 126 P CB 0.844 32.566 31.700 0.037 0.000 0.799 127 G N 2.286 111.090 108.800 0.008 0.000 2.195 127 G HA2 -0.223 3.738 3.960 0.001 0.000 0.246 127 G HA3 -0.223 3.738 3.960 0.001 0.000 0.246 127 G C 0.294 175.185 174.900 -0.015 0.000 0.984 127 G CA 0.296 45.395 45.100 -0.002 0.000 0.633 127 G HN 0.852 nan 8.290 nan 0.000 0.525 128 T N -0.721 113.825 114.554 -0.013 0.000 2.907 128 T HA 0.577 4.928 4.350 0.001 0.000 0.298 128 T C 0.369 175.054 174.700 -0.026 0.000 1.017 128 T CA -0.142 61.947 62.100 -0.018 0.000 1.118 128 T CB 2.268 71.130 68.868 -0.010 0.000 0.948 128 T HN 0.811 nan 8.240 nan 0.000 0.531 129 V N 5.397 125.290 119.914 -0.035 0.000 2.427 129 V HA 0.147 4.268 4.120 0.001 0.000 0.268 129 V C 1.329 177.406 176.094 -0.028 0.000 1.046 129 V CA -0.269 62.004 62.300 -0.044 0.000 0.970 129 V CB 0.259 32.041 31.823 -0.069 0.000 1.001 129 V HN 0.896 nan 8.190 nan 0.000 0.476 130 L N 3.959 125.176 121.223 -0.012 0.000 2.307 130 L HA 0.438 4.779 4.340 0.001 0.000 0.211 130 L C 0.931 177.816 176.870 0.024 0.000 1.099 130 L CA 0.932 55.777 54.840 0.009 0.000 0.816 130 L CB 0.009 42.081 42.059 0.022 0.000 0.952 130 L HN 0.771 nan 8.230 nan 0.000 0.455 131 A N 0.125 122.963 122.820 0.030 0.000 2.605 131 A HA 0.661 4.982 4.320 0.001 0.000 0.294 131 A C -1.545 175.987 177.584 -0.087 0.000 1.062 131 A CA -0.498 51.571 52.037 0.054 0.000 0.682 131 A CB 1.484 20.601 19.000 0.195 0.000 1.278 131 A HN 0.131 nan 8.150 nan 0.000 0.410 132 Q N 1.057 120.698 119.800 -0.265 0.000 2.578 132 Q HA 0.760 5.101 4.340 0.001 0.000 0.284 132 Q C -1.628 174.006 176.000 -0.610 0.000 0.960 132 Q CA -1.016 54.343 55.803 -0.738 0.000 0.809 132 Q CB 1.684 30.146 28.738 -0.461 0.000 1.462 132 Q HN 0.654 nan 8.270 nan 0.000 0.392 133 N N -0.332 117.870 118.700 -0.830 0.000 3.116 133 N HA 0.579 5.320 4.740 0.001 0.000 0.244 133 N C -2.066 173.103 175.510 -0.567 0.000 1.485 133 N CA -0.232 52.530 53.050 -0.479 0.000 0.884 133 N CB 2.600 40.950 38.487 -0.227 0.000 1.415 133 N HN 0.636 nan 8.380 nan 0.000 0.524 134 S N 0.194 115.541 115.700 -0.589 0.000 2.540 134 S HA 0.761 5.231 4.470 0.001 0.000 0.275 134 S C -1.986 172.295 174.600 -0.533 0.000 1.123 134 S CA -0.420 57.479 58.200 -0.502 0.000 0.907 134 S CB 0.326 63.404 63.200 -0.202 0.000 1.081 134 S HN 0.352 nan 8.310 nan 0.000 0.476 135 Y N 1.858 122.245 120.300 0.145 0.000 2.391 135 Y HA 0.511 5.061 4.550 0.001 0.000 0.341 135 Y C 0.016 176.013 175.900 0.161 0.000 0.965 135 Y CA -0.943 57.249 58.100 0.155 0.000 1.067 135 Y CB 1.417 39.992 38.460 0.192 0.000 1.199 135 Y HN 0.573 nan 8.280 nan 0.000 0.450 136 K N 3.840 124.406 120.400 0.277 0.000 2.253 136 K HA 0.681 5.001 4.320 0.001 0.000 0.277 136 K C -1.255 175.479 176.600 0.224 0.000 1.053 136 K CA -0.545 55.872 56.287 0.216 0.000 0.892 136 K CB 0.559 33.140 32.500 0.135 0.000 1.102 136 K HN 0.654 nan 8.250 nan 0.000 0.469 137 V N 0.771 120.847 119.914 0.269 0.000 3.007 137 V HA 0.495 4.616 4.120 0.001 0.000 0.311 137 V C -0.616 175.669 176.094 0.319 0.000 1.120 137 V CA -1.336 61.133 62.300 0.280 0.000 0.980 137 V CB 1.717 33.756 31.823 0.360 0.000 1.033 137 V HN 0.660 nan 8.190 nan 0.000 0.429 138 N N 1.521 120.408 118.700 0.312 0.000 2.399 138 N HA 0.210 4.950 4.740 0.001 0.000 0.250 138 N C 0.884 176.637 175.510 0.405 0.000 1.272 138 N CA -0.001 53.248 53.050 0.333 0.000 0.928 138 N CB 1.011 39.669 38.487 0.285 0.000 1.158 138 N HN 0.959 nan 8.380 nan 0.000 0.463 139 K N 0.650 121.283 120.400 0.388 0.000 2.160 139 K HA -0.174 4.147 4.320 0.001 0.000 0.206 139 K C 1.117 177.811 176.600 0.155 0.000 1.047 139 K CA 1.473 57.932 56.287 0.288 0.000 0.930 139 K CB 0.128 32.791 32.500 0.273 0.000 0.720 139 K HN 0.480 nan 8.250 nan 0.000 0.450 140 Q N -1.487 118.411 119.800 0.164 0.000 2.435 140 Q HA -0.121 4.220 4.340 0.001 0.000 0.207 140 Q C 0.237 176.102 176.000 -0.225 0.000 0.956 140 Q CA 0.768 56.569 55.803 -0.005 0.000 0.917 140 Q CB 0.211 28.931 28.738 -0.030 0.000 0.997 140 Q HN 0.462 nan 8.270 nan 0.000 0.497 141 W N -0.332 121.078 121.300 0.183 0.000 2.771 141 W HA 0.293 4.954 4.660 0.001 0.000 0.412 141 W C 1.029 177.640 176.519 0.153 0.000 0.965 141 W CA -0.419 57.033 57.345 0.179 0.000 2.045 141 W CB 0.224 29.729 29.460 0.076 0.000 1.176 141 W HN 0.016 nan 8.180 nan 0.000 0.634 142 L N 0.245 121.561 121.223 0.155 0.000 2.056 142 L HA -0.162 4.178 4.340 0.001 0.000 0.207 142 L C 2.566 179.395 176.870 -0.070 0.000 1.078 142 L CA 1.457 56.316 54.840 0.032 0.000 0.749 142 L CB -0.408 41.582 42.059 -0.114 0.000 0.901 142 L HN 0.002 nan 8.230 nan 0.000 0.433 143 R N -1.026 119.369 120.500 -0.175 0.000 2.091 143 R HA -0.238 4.103 4.340 0.001 0.000 0.238 143 R C 2.302 178.438 176.300 -0.273 0.000 1.136 143 R CA 1.903 57.783 56.100 -0.367 0.000 0.959 143 R CB -0.709 29.293 30.300 -0.496 0.000 0.856 143 R HN 0.308 nan 8.270 nan 0.000 0.437 144 Y N 1.478 121.773 120.300 -0.009 0.000 2.165 144 Y HA -0.290 4.261 4.550 0.002 0.000 0.286 144 Y C 2.349 178.274 175.900 0.041 0.000 1.155 144 Y CA 1.553 59.771 58.100 0.197 0.000 1.164 144 Y CB -0.304 38.463 38.460 0.512 0.000 0.978 144 Y HN 0.077 nan 8.280 nan 0.000 0.513 145 A N 0.213 123.106 122.820 0.122 0.000 1.908 145 A HA -0.130 4.190 4.320 0.001 0.000 0.218 145 A C 2.486 179.984 177.584 -0.142 0.000 1.181 145 A CA 1.789 53.803 52.037 -0.039 0.000 0.627 145 A CB -1.759 17.359 19.000 0.197 0.000 0.818 145 A HN 0.615 nan 8.150 nan 0.000 0.445 146 G N -1.080 107.604 108.800 -0.193 0.000 2.446 146 G HA2 -0.262 3.698 3.960 0.001 0.000 0.217 146 G HA3 -0.262 3.698 3.960 0.001 0.000 0.217 146 G C 1.371 176.108 174.900 -0.272 0.000 1.168 146 G CA 1.253 46.181 45.100 -0.288 0.000 0.771 146 G HN 0.786 nan 8.290 nan 0.000 0.551 147 H N -0.275 118.678 119.070 -0.196 0.000 2.457 147 H HA -0.003 4.553 4.556 0.001 0.000 0.294 147 H C 2.870 178.077 175.328 -0.202 0.000 1.064 147 H CA 1.236 57.190 56.048 -0.157 0.000 1.330 147 H CB 0.194 29.925 29.762 -0.052 0.000 1.395 147 H HN 0.307 nan 8.280 nan 0.000 0.541 148 T N 0.331 114.713 114.554 -0.287 0.000 2.737 148 T HA -0.143 4.208 4.350 0.001 0.000 0.265 148 T C 2.413 177.030 174.700 -0.139 0.000 1.038 148 T CA 0.954 62.836 62.100 -0.363 0.000 1.144 148 T CB -0.403 67.967 68.868 -0.830 0.000 0.866 148 T HN 0.472 nan 8.240 nan 0.000 0.434 149 A N 1.746 124.522 122.820 -0.074 0.000 1.883 149 A HA -0.147 4.174 4.320 0.001 0.000 0.217 149 A C 2.623 180.028 177.584 -0.299 0.000 1.186 149 A CA 2.162 54.105 52.037 -0.158 0.000 0.624 149 A CB -1.069 17.913 19.000 -0.029 0.000 0.822 149 A HN 0.448 nan 8.150 nan 0.000 0.444 150 S N 0.081 115.667 115.700 -0.189 0.000 2.370 150 S HA -0.174 4.297 4.470 0.001 0.000 0.226 150 S C 1.665 176.338 174.600 0.122 0.000 1.033 150 S CA 1.459 59.553 58.200 -0.177 0.000 1.011 150 S CB -0.481 62.453 63.200 -0.442 0.000 0.852 150 S HN 0.603 nan 8.310 nan 0.000 0.457 151 D N 1.114 121.637 120.400 0.204 0.000 2.117 151 D HA -0.086 4.555 4.640 0.001 0.000 0.197 151 D C 2.065 178.459 176.300 0.158 0.000 0.987 151 D CA 1.002 55.126 54.000 0.207 0.000 0.829 151 D CB -0.261 40.577 40.800 0.063 0.000 0.961 151 D HN 0.536 nan 8.370 nan 0.000 0.460 152 E N 0.106 120.349 120.200 0.072 0.000 2.072 152 E HA -0.092 4.259 4.350 0.001 0.000 0.191 152 E C 2.324 178.965 176.600 0.068 0.000 0.985 152 E CA 0.502 56.957 56.400 0.092 0.000 0.801 152 E CB 0.131 29.931 29.700 0.168 0.000 0.750 152 E HN 0.088 nan 8.360 nan 0.000 0.452 153 V N 1.244 121.124 119.914 -0.057 0.000 2.295 153 V HA -0.249 3.872 4.120 0.001 0.000 0.246 153 V C 2.042 178.161 176.094 0.042 0.000 1.049 153 V CA 1.791 64.054 62.300 -0.062 0.000 1.024 153 V CB -0.524 31.169 31.823 -0.217 0.000 0.648 153 V HN 0.224 nan 8.190 nan 0.000 0.447 154 F N 1.073 121.008 119.950 -0.025 0.000 2.095 154 F HA -0.245 4.283 4.527 0.002 0.000 0.298 154 F C 2.531 178.415 175.800 0.141 0.000 1.104 154 F CA 2.464 60.539 58.000 0.126 0.000 1.232 154 F CB -0.170 38.990 39.000 0.267 0.000 0.987 154 F HN 0.201 nan 8.300 nan 0.000 0.475 155 E N 0.027 120.373 120.200 0.243 0.000 2.106 155 E HA -0.270 4.081 4.350 0.001 0.000 0.192 155 E C 2.160 178.778 176.600 0.030 0.000 0.984 155 E CA 1.140 57.602 56.400 0.103 0.000 0.806 155 E CB -0.131 29.644 29.700 0.125 0.000 0.750 155 E HN 0.209 nan 8.360 nan 0.000 0.458 156 K N 0.607 121.042 120.400 0.059 0.000 2.057 156 K HA -0.105 4.216 4.320 0.001 0.000 0.207 156 K C 1.846 178.464 176.600 0.031 0.000 1.049 156 K CA 1.319 57.634 56.287 0.048 0.000 0.931 156 K CB -0.166 32.377 32.500 0.072 0.000 0.714 156 K HN 0.193 nan 8.250 nan 0.000 0.440 157 L N -0.354 120.896 121.223 0.045 0.000 2.416 157 L HA 0.060 4.401 4.340 0.001 0.000 0.216 157 L C 1.871 178.732 176.870 -0.014 0.000 1.098 157 L CA 1.219 56.103 54.840 0.074 0.000 0.840 157 L CB -0.172 42.028 42.059 0.235 0.000 0.981 157 L HN 0.378 nan 8.230 nan 0.000 0.462 158 T N -5.189 109.288 114.554 -0.129 0.000 2.971 158 T HA 0.220 4.571 4.350 0.001 0.000 0.252 158 T C 1.517 176.116 174.700 -0.168 0.000 1.022 158 T CA 0.566 62.519 62.100 -0.245 0.000 0.980 158 T CB 0.807 69.341 68.868 -0.556 0.000 1.044 158 T HN 0.310 nan 8.240 nan 0.000 0.501 159 G N 1.647 110.380 108.800 -0.111 0.000 2.168 159 G HA2 -0.214 3.747 3.960 0.001 0.000 0.263 159 G HA3 -0.214 3.747 3.960 0.001 0.000 0.263 159 G C -0.019 174.857 174.900 -0.040 0.000 0.977 159 G CA 0.423 45.489 45.100 -0.057 0.000 0.659 159 G HN 0.686 nan 8.290 nan 0.000 0.533 160 I N 0.213 120.744 120.570 -0.064 0.000 2.412 160 I HA 0.346 4.517 4.170 0.001 0.000 0.296 160 I C 0.665 176.891 176.117 0.181 0.000 0.987 160 I CA -0.994 60.335 61.300 0.048 0.000 1.180 160 I CB 1.734 39.777 38.000 0.071 0.000 1.340 160 I HN 0.037 nan 8.210 nan 0.000 0.455 161 K N 3.800 124.279 120.400 0.131 0.000 2.448 161 K HA 0.221 4.542 4.320 0.001 0.000 0.278 161 K C 0.305 176.975 176.600 0.116 0.000 1.009 161 K CA -0.076 56.248 56.287 0.062 0.000 0.995 161 K CB 0.646 33.044 32.500 -0.170 0.000 0.917 161 K HN 0.844 nan 8.250 nan 0.000 0.481 162 G N 1.701 110.507 108.800 0.011 0.000 2.503 162 G HA2 0.402 4.363 3.960 0.001 0.000 0.257 162 G HA3 0.402 4.363 3.960 0.001 0.000 0.257 162 G C -0.065 174.581 174.900 -0.423 0.000 1.214 162 G CA -0.240 44.593 45.100 -0.444 0.000 0.839 162 G HN 0.723 nan 8.290 nan 0.000 0.559 163 A N 0.972 123.276 122.820 -0.860 0.000 2.631 163 A HA 0.485 4.805 4.320 0.001 0.000 0.294 163 A C 0.801 178.012 177.584 -0.622 0.000 1.156 163 A CA -0.401 51.313 52.037 -0.538 0.000 0.963 163 A CB 0.024 18.659 19.000 -0.607 0.000 1.202 163 A HN 0.482 nan 8.150 nan 0.000 0.523 164 F N -0.004 119.719 119.950 -0.377 0.000 2.661 164 F HA 0.137 4.665 4.527 0.001 0.000 0.298 164 F C 1.977 177.597 175.800 -0.300 0.000 1.137 164 F CA 0.660 58.378 58.000 -0.470 0.000 1.454 164 F CB -0.051 38.775 39.000 -0.289 0.000 1.103 164 F HN 0.185 nan 8.300 nan 0.000 0.577 165 R N -0.013 120.488 120.500 0.001 0.000 2.388 165 R HA 0.100 4.441 4.340 0.001 0.000 0.247 165 R C 0.744 177.134 176.300 0.151 0.000 0.931 165 R CA 0.164 56.320 56.100 0.094 0.000 1.082 165 R CB -0.230 30.111 30.300 0.068 0.000 1.135 165 R HN 0.209 nan 8.270 nan 0.000 0.525 166 T N -1.659 112.966 114.554 0.119 0.000 2.824 166 T HA 0.432 4.783 4.350 0.001 0.000 0.277 166 T C 0.354 175.144 174.700 0.150 0.000 0.975 166 T CA -0.709 61.468 62.100 0.128 0.000 0.966 166 T CB 1.720 70.724 68.868 0.227 0.000 1.054 166 T HN 0.030 nan 8.240 nan 0.000 0.533 167 R N -0.246 120.256 120.500 0.005 0.000 2.892 167 R HA 0.759 5.100 4.340 0.001 0.000 0.265 167 R C -0.505 175.757 176.300 -0.064 0.000 1.025 167 R CA -1.041 55.077 56.100 0.030 0.000 0.982 167 R CB 1.646 32.021 30.300 0.125 0.000 1.185 167 R HN 0.834 nan 8.270 nan 0.000 0.484 168 I N -1.717 118.903 120.570 0.084 0.000 2.740 168 I HA 0.847 5.018 4.170 0.001 0.000 0.303 168 I C -0.774 175.591 176.117 0.413 0.000 1.044 168 I CA -1.075 60.326 61.300 0.167 0.000 1.064 168 I CB 2.332 40.283 38.000 -0.083 0.000 1.249 168 I HN 0.573 nan 8.210 nan 0.000 0.433 169 A N 4.287 127.374 122.820 0.446 0.000 2.337 169 A HA 0.951 5.271 4.320 0.001 0.000 0.331 169 A C -1.235 176.428 177.584 0.132 0.000 1.137 169 A CA -0.485 51.579 52.037 0.045 0.000 0.807 169 A CB 1.105 19.971 19.000 -0.223 0.000 1.250 169 A HN 0.951 nan 8.150 nan 0.000 0.468 170 Y N -2.070 118.210 120.300 -0.034 0.000 2.677 170 Y HA 0.621 5.172 4.550 0.002 0.000 0.334 170 Y C -1.290 174.615 175.900 0.008 0.000 1.196 170 Y CA -1.444 56.669 58.100 0.021 0.000 1.059 170 Y CB 0.709 39.171 38.460 0.004 0.000 1.315 170 Y HN 0.421 nan 8.280 nan 0.000 0.455 171 V N 2.475 122.550 119.914 0.268 0.000 2.435 171 V HA 0.624 4.745 4.120 0.001 0.000 0.290 171 V C -0.616 175.629 176.094 0.252 0.000 1.030 171 V CA -0.831 61.590 62.300 0.202 0.000 0.881 171 V CB 1.457 33.462 31.823 0.303 0.000 0.983 171 V HN 0.675 nan 8.190 nan 0.000 0.445 172 V N 4.860 124.879 119.914 0.176 0.000 2.459 172 V HA 0.451 4.572 4.120 0.001 0.000 0.295 172 V C -0.158 175.988 176.094 0.087 0.000 1.029 172 V CA -0.532 61.851 62.300 0.138 0.000 0.874 172 V CB 1.591 33.485 31.823 0.119 0.000 0.985 172 V HN 0.935 nan 8.190 nan 0.000 0.438 173 Q N 3.259 123.088 119.800 0.049 0.000 2.368 173 Q HA 0.466 4.807 4.340 0.001 0.000 0.263 173 Q C -0.075 175.863 176.000 -0.103 0.000 1.009 173 Q CA -0.522 55.240 55.803 -0.068 0.000 0.818 173 Q CB 1.552 30.274 28.738 -0.027 0.000 1.239 173 Q HN 0.944 nan 8.270 nan 0.000 0.464 174 T N 0.836 115.306 114.554 -0.141 0.000 2.899 174 T HA 0.245 4.596 4.350 0.001 0.000 0.284 174 T C 0.957 175.578 174.700 -0.132 0.000 1.004 174 T CA -0.729 61.309 62.100 -0.104 0.000 1.043 174 T CB 0.886 69.710 68.868 -0.074 0.000 1.013 174 T HN 0.530 nan 8.240 nan 0.000 0.518 175 N N 0.927 119.575 118.700 -0.087 0.000 2.244 175 N HA 0.096 4.837 4.740 0.001 0.000 0.183 175 N C 1.004 176.462 175.510 -0.086 0.000 1.016 175 N CA 1.245 54.247 53.050 -0.079 0.000 0.866 175 N CB -0.242 38.215 38.487 -0.051 0.000 0.980 175 N HN 0.905 nan 8.380 nan 0.000 0.430 176 G N -2.328 106.424 108.800 -0.080 0.000 2.976 176 G HA2 0.544 4.505 3.960 0.001 0.000 0.276 176 G HA3 0.544 4.505 3.960 0.001 0.000 0.276 176 G C -0.462 174.399 174.900 -0.065 0.000 1.207 176 G CA 0.067 45.124 45.100 -0.072 0.000 0.803 176 G HN 0.396 nan 8.290 nan 0.000 0.572 177 G N -1.568 107.207 108.800 -0.041 0.000 2.746 177 G HA2 -0.086 3.875 3.960 0.001 0.000 0.685 177 G HA3 -0.086 3.875 3.960 0.001 0.000 0.685 177 G C 0.490 175.367 174.900 -0.039 0.000 1.350 177 G CA 0.513 45.605 45.100 -0.014 0.000 0.837 177 G HN 0.758 nan 8.290 nan 0.000 0.564 178 Q N -0.881 118.911 119.800 -0.014 0.000 2.230 178 Q HA 0.196 4.537 4.340 0.001 0.000 0.202 178 Q C 0.546 176.285 176.000 -0.435 0.000 0.963 178 Q CA 1.294 56.979 55.803 -0.198 0.000 0.866 178 Q CB 0.232 28.875 28.738 -0.159 0.000 0.931 178 Q HN 0.451 nan 8.270 nan 0.000 0.452 179 F N -0.271 119.665 119.950 -0.023 0.000 2.531 179 F HA 0.298 4.826 4.527 0.001 0.000 0.333 179 F C -1.988 173.774 175.800 -0.063 0.000 1.292 179 F CA -2.056 55.935 58.000 -0.015 0.000 1.184 179 F CB 1.498 40.478 39.000 -0.033 0.000 1.426 179 F HN -0.067 nan 8.300 nan 0.000 0.559 180 P HA -0.093 nan 4.420 nan 0.000 0.226 180 P C -0.595 176.499 177.300 -0.343 0.000 1.153 180 P CA 1.202 64.135 63.100 -0.278 0.000 0.777 180 P CB 0.022 31.398 31.700 -0.541 0.000 0.794 181 Y N 0.165 120.498 120.300 0.056 0.000 2.331 181 Y HA 0.435 4.986 4.550 0.001 0.000 0.338 181 Y C 0.666 176.571 175.900 0.008 0.000 0.992 181 Y CA -0.736 57.391 58.100 0.045 0.000 1.121 181 Y CB 1.229 39.726 38.460 0.062 0.000 1.184 181 Y HN -0.202 nan 8.280 nan 0.000 0.469 182 E N 3.113 123.380 120.200 0.111 0.000 2.256 182 E HA 0.344 4.695 4.350 0.001 0.000 0.268 182 E C -1.639 174.923 176.600 -0.063 0.000 0.877 182 E CA -1.168 55.228 56.400 -0.006 0.000 0.757 182 E CB 2.677 32.355 29.700 -0.037 0.000 1.183 182 E HN 0.415 nan 8.360 nan 0.000 0.418 183 L N 3.598 124.724 121.223 -0.161 0.000 2.276 183 L HA 0.389 4.730 4.340 0.001 0.000 0.286 183 L C -0.725 175.918 176.870 -0.380 0.000 1.061 183 L CA 0.214 54.876 54.840 -0.297 0.000 0.807 183 L CB 0.318 42.097 42.059 -0.466 0.000 1.177 183 L HN 0.472 nan 8.230 nan 0.000 0.429 184 R N 3.510 123.671 120.500 -0.564 0.000 2.854 184 R HA 0.833 5.173 4.340 0.001 0.000 0.271 184 R C -1.530 174.193 176.300 -0.963 0.000 0.994 184 R CA -1.087 54.569 56.100 -0.740 0.000 0.945 184 R CB 2.341 32.208 30.300 -0.722 0.000 1.194 184 R HN 0.437 nan 8.270 nan 0.000 0.476 185 V N 0.974 120.328 119.914 -0.934 0.000 2.735 185 V HA 0.560 4.681 4.120 0.001 0.000 0.310 185 V C -0.493 175.361 176.094 -0.400 0.000 1.061 185 V CA -0.501 61.398 62.300 -0.668 0.000 0.913 185 V CB 2.071 33.455 31.823 -0.733 0.000 1.005 185 V HN 1.051 nan 8.190 nan 0.000 0.428 186 S N 1.513 117.209 115.700 -0.006 0.000 2.671 186 S HA 0.615 5.086 4.470 0.001 0.000 0.277 186 S C -1.236 173.459 174.600 0.158 0.000 1.165 186 S CA -1.021 57.252 58.200 0.122 0.000 0.822 186 S CB 1.876 65.170 63.200 0.157 0.000 1.150 186 S HN 0.532 nan 8.310 nan 0.000 0.479 187 D N 0.782 121.267 120.400 0.142 0.000 2.362 187 D HA 0.127 4.768 4.640 0.001 0.000 0.238 187 D C 1.153 177.451 176.300 -0.004 0.000 1.212 187 D CA 0.112 54.182 54.000 0.116 0.000 0.902 187 D CB -0.024 40.849 40.800 0.121 0.000 1.180 187 D HN 0.766 nan 8.370 nan 0.000 0.445 188 Y N 0.378 120.649 120.300 -0.048 0.000 2.315 188 Y HA -0.190 4.361 4.550 0.001 0.000 0.288 188 Y C 1.054 176.893 175.900 -0.101 0.000 1.154 188 Y CA 1.577 59.579 58.100 -0.163 0.000 1.229 188 Y CB -0.360 38.062 38.460 -0.063 0.000 0.980 188 Y HN 0.238 nan 8.280 nan 0.000 0.540 189 D N -1.139 118.638 120.400 -1.039 0.000 2.340 189 D HA 0.234 4.875 4.640 0.001 0.000 0.217 189 D C 1.788 177.916 176.300 -0.288 0.000 1.081 189 D CA 0.404 53.970 54.000 -0.724 0.000 0.842 189 D CB 0.074 40.477 40.800 -0.661 0.000 0.934 189 D HN 0.548 nan 8.370 nan 0.000 0.511 190 G N -0.740 107.923 108.800 -0.228 0.000 2.234 190 G HA2 -0.287 3.674 3.960 0.001 0.000 0.235 190 G HA3 -0.287 3.674 3.960 0.001 0.000 0.235 190 G C -0.032 174.753 174.900 -0.192 0.000 0.997 190 G CA -0.087 44.884 45.100 -0.214 0.000 0.623 190 G HN 0.347 nan 8.290 nan 0.000 0.514 191 Y N 0.800 121.045 120.300 -0.093 0.000 2.299 191 Y HA 0.452 5.003 4.550 0.001 0.000 0.335 191 Y C 1.518 177.384 175.900 -0.057 0.000 1.287 191 Y CA 0.381 58.438 58.100 -0.071 0.000 1.424 191 Y CB 0.336 38.699 38.460 -0.161 0.000 1.326 191 Y HN 0.226 nan 8.280 nan 0.000 0.567 192 N N 0.824 119.593 118.700 0.116 0.000 2.738 192 N HA -0.256 4.485 4.740 0.001 0.000 0.249 192 N C -0.548 175.089 175.510 0.212 0.000 1.047 192 N CA 0.648 53.739 53.050 0.068 0.000 0.707 192 N CB -0.854 37.537 38.487 -0.160 0.000 0.937 192 N HN 0.731 nan 8.380 nan 0.000 0.545 193 Q N 0.218 120.115 119.800 0.161 0.000 2.332 193 Q HA 0.396 4.737 4.340 0.001 0.000 0.263 193 Q C -0.266 175.872 176.000 0.230 0.000 0.979 193 Q CA -0.155 55.728 55.803 0.134 0.000 0.885 193 Q CB 0.436 29.219 28.738 0.076 0.000 1.218 193 Q HN 0.328 nan 8.270 nan 0.000 0.405 194 F N 0.303 120.259 119.950 0.010 0.000 2.645 194 F HA 0.642 5.169 4.527 0.001 0.000 0.310 194 F C -1.754 174.012 175.800 -0.056 0.000 1.102 194 F CA -1.306 56.689 58.000 -0.007 0.000 0.952 194 F CB 0.805 39.818 39.000 0.021 0.000 1.326 194 F HN 0.139 nan 8.300 nan 0.000 0.456 195 V N 2.854 122.826 119.914 0.096 0.000 2.407 195 V HA 0.234 4.355 4.120 0.001 0.000 0.278 195 V C 0.554 176.669 176.094 0.036 0.000 1.037 195 V CA -0.377 61.895 62.300 -0.047 0.000 0.900 195 V CB 1.020 32.827 31.823 -0.027 0.000 0.983 195 V HN 0.905 nan 8.190 nan 0.000 0.459 196 V N 3.412 123.261 119.914 -0.108 0.000 2.426 196 V HA 0.076 4.197 4.120 0.001 0.000 0.242 196 V C 0.455 176.581 176.094 0.053 0.000 1.036 196 V CA 1.214 63.500 62.300 -0.024 0.000 1.044 196 V CB -0.346 31.359 31.823 -0.196 0.000 0.688 196 V HN 0.983 nan 8.190 nan 0.000 0.462 197 H N -0.597 118.382 119.070 -0.152 0.000 3.085 197 H HA 0.592 5.149 4.556 0.001 0.000 0.356 197 H C -0.705 174.581 175.328 -0.070 0.000 1.178 197 H CA -0.860 55.130 56.048 -0.096 0.000 1.214 197 H CB 1.185 30.883 29.762 -0.108 0.000 1.881 197 H HN 0.098 nan 8.280 nan 0.000 0.538 198 R N 2.403 122.515 120.500 -0.648 0.000 2.589 198 R HA 0.675 5.016 4.340 0.001 0.000 0.293 198 R C -1.021 175.020 176.300 -0.432 0.000 0.963 198 R CA -0.927 54.929 56.100 -0.405 0.000 0.905 198 R CB 2.117 32.221 30.300 -0.326 0.000 1.144 198 R HN 0.519 nan 8.270 nan 0.000 0.459 199 S N 1.493 117.242 115.700 0.080 0.000 2.536 199 S HA 0.405 4.875 4.470 0.001 0.000 0.271 199 S C -2.280 172.534 174.600 0.358 0.000 1.134 199 S CA -1.580 56.779 58.200 0.264 0.000 0.897 199 S CB 1.727 65.048 63.200 0.202 0.000 1.094 199 S HN 0.435 nan 8.310 nan 0.000 0.473 200 P HA 0.105 nan 4.420 nan 0.000 0.236 200 P C -0.314 177.130 177.300 0.239 0.000 1.177 200 P CA 0.639 63.738 63.100 -0.001 0.000 0.773 200 P CB 0.229 31.783 31.700 -0.245 0.000 0.878 201 Q N -0.562 119.335 119.800 0.162 0.000 2.433 201 Q HA 0.464 4.805 4.340 0.001 0.000 0.279 201 Q C -2.736 172.868 176.000 -0.661 0.000 1.105 201 Q CA -2.823 52.918 55.803 -0.104 0.000 0.815 201 Q CB 0.857 29.611 28.738 0.027 0.000 1.403 201 Q HN -0.083 nan 8.270 nan 0.000 0.435 202 P HA 0.025 nan 4.420 nan 0.000 0.265 202 P C -0.656 176.501 177.300 -0.239 0.000 1.187 202 P CA 0.535 63.041 63.100 -0.990 0.000 0.766 202 P CB 0.386 31.741 31.700 -0.574 0.000 0.820 203 L N 3.541 124.681 121.223 -0.139 0.000 2.346 203 L HA 0.577 4.918 4.340 0.001 0.000 0.274 203 L C 0.243 177.032 176.870 -0.136 0.000 1.007 203 L CA -0.509 54.337 54.840 0.010 0.000 0.818 203 L CB 1.332 43.411 42.059 0.034 0.000 1.284 203 L HN 0.268 nan 8.230 nan 0.000 0.424 204 M N 1.074 120.521 119.600 -0.256 0.000 2.518 204 M HA 0.361 4.842 4.480 0.001 0.000 0.300 204 M C -0.035 175.865 176.300 -0.667 0.000 1.175 204 M CA -0.643 54.143 55.300 -0.856 0.000 0.890 204 M CB 2.210 34.584 32.600 -0.376 0.000 1.710 204 M HN 0.549 nan 8.290 nan 0.000 0.453 205 S N 0.643 115.737 115.700 -1.011 0.000 3.711 205 S HA -0.070 4.401 4.470 0.001 0.000 0.374 205 S C -2.431 172.139 174.600 -0.051 0.000 0.969 205 S CA -0.181 57.875 58.200 -0.240 0.000 1.198 205 S CB -1.845 61.317 63.200 -0.063 0.000 0.903 205 S HN 0.514 nan 8.310 nan 0.000 0.493 206 P HA 0.489 nan 4.420 nan 0.000 0.271 206 P C -0.456 176.869 177.300 0.043 0.000 1.216 206 P CA -0.027 63.065 63.100 -0.013 0.000 0.776 206 P CB 0.820 32.441 31.700 -0.133 0.000 0.881 207 A N 3.182 126.046 122.820 0.074 0.000 2.422 207 A HA 0.565 4.886 4.320 0.001 0.000 0.302 207 A C -1.486 176.260 177.584 0.270 0.000 1.041 207 A CA -0.670 51.504 52.037 0.229 0.000 0.708 207 A CB 0.811 19.992 19.000 0.300 0.000 1.257 207 A HN 0.439 nan 8.150 nan 0.000 0.414 208 W N 2.014 123.483 121.300 0.281 0.000 2.315 208 W HA 0.469 5.130 4.660 0.001 0.000 0.316 208 W C 1.016 177.464 176.519 -0.118 0.000 1.211 208 W CA 0.282 57.691 57.345 0.106 0.000 1.201 208 W CB 1.529 31.037 29.460 0.081 0.000 1.184 208 W HN 0.810 nan 8.180 nan 0.000 0.544 209 S N 3.213 118.674 115.700 -0.398 0.000 2.576 209 S HA 0.174 4.645 4.470 0.001 0.000 0.276 209 S C -1.468 173.014 174.600 -0.198 0.000 1.339 209 S CA -1.036 56.622 58.200 -0.903 0.000 1.039 209 S CB 1.231 63.811 63.200 -1.033 0.000 0.902 209 S HN 0.389 nan 8.310 nan 0.000 0.516 210 P HA -0.081 nan 4.420 nan 0.000 0.222 210 P C 0.578 177.861 177.300 -0.029 0.000 1.147 210 P CA 1.153 64.229 63.100 -0.040 0.000 0.790 210 P CB -0.243 31.438 31.700 -0.032 0.000 0.780 211 D N -1.148 119.225 120.400 -0.045 0.000 2.340 211 D HA 0.072 4.712 4.640 0.001 0.000 0.220 211 D C 1.443 177.760 176.300 0.028 0.000 1.039 211 D CA 0.463 54.458 54.000 -0.009 0.000 0.866 211 D CB -1.050 39.741 40.800 -0.015 0.000 0.913 211 D HN 0.207 nan 8.370 nan 0.000 0.523 212 G N 0.202 109.040 108.800 0.062 0.000 2.162 212 G HA2 -0.355 3.606 3.960 0.001 0.000 0.260 212 G HA3 -0.355 3.606 3.960 0.001 0.000 0.260 212 G C 1.050 176.125 174.900 0.292 0.000 0.976 212 G CA 0.929 46.131 45.100 0.169 0.000 0.655 212 G HN 0.730 nan 8.290 nan 0.000 0.533 213 S N -1.568 114.229 115.700 0.163 0.000 2.511 213 S HA 0.458 4.928 4.470 0.001 0.000 0.214 213 S C 0.720 175.386 174.600 0.109 0.000 0.997 213 S CA 0.823 59.103 58.200 0.135 0.000 0.908 213 S CB 0.677 63.913 63.200 0.060 0.000 0.803 213 S HN 0.538 nan 8.310 nan 0.000 0.504 214 K N 0.482 120.914 120.400 0.053 0.000 2.469 214 K HA 0.635 4.956 4.320 0.001 0.000 0.254 214 K C -1.661 174.903 176.600 -0.060 0.000 0.939 214 K CA -0.587 55.697 56.287 -0.005 0.000 0.812 214 K CB 2.240 34.715 32.500 -0.041 0.000 1.301 214 K HN 0.094 nan 8.250 nan 0.000 0.433 215 L N 1.890 123.098 121.223 -0.024 0.000 2.362 215 L HA 0.590 4.931 4.340 0.001 0.000 0.275 215 L C -0.424 176.577 176.870 0.217 0.000 0.998 215 L CA -0.974 53.852 54.840 -0.024 0.000 0.820 215 L CB 1.930 43.858 42.059 -0.219 0.000 1.270 215 L HN 0.726 nan 8.230 nan 0.000 0.415 216 A N 3.457 126.467 122.820 0.316 0.000 2.310 216 A HA 0.773 5.094 4.320 0.001 0.000 0.299 216 A C -1.117 176.525 177.584 0.096 0.000 1.147 216 A CA -0.140 51.952 52.037 0.091 0.000 0.818 216 A CB 0.546 19.503 19.000 -0.072 0.000 1.096 216 A HN 0.689 nan 8.150 nan 0.000 0.495 217 Y N -1.413 118.805 120.300 -0.136 0.000 2.725 217 Y HA 0.632 5.183 4.550 0.001 0.000 0.333 217 Y C -1.170 174.614 175.900 -0.194 0.000 1.242 217 Y CA -1.535 56.468 58.100 -0.161 0.000 1.059 217 Y CB 0.619 38.983 38.460 -0.159 0.000 1.306 217 Y HN 0.411 nan 8.280 nan 0.000 0.454 218 V N 1.539 121.441 119.914 -0.021 0.000 2.435 218 V HA 0.679 4.800 4.120 0.001 0.000 0.290 218 V C -0.289 175.805 176.094 0.000 0.000 1.030 218 V CA -0.228 61.983 62.300 -0.147 0.000 0.881 218 V CB 1.348 33.085 31.823 -0.142 0.000 0.983 218 V HN 0.915 nan 8.190 nan 0.000 0.445 219 T N 3.315 117.800 114.554 -0.115 0.000 2.876 219 T HA 0.574 4.925 4.350 0.001 0.000 0.289 219 T C -0.238 174.384 174.700 -0.131 0.000 1.014 219 T CA -0.276 61.836 62.100 0.020 0.000 0.986 219 T CB 0.875 69.814 68.868 0.119 0.000 1.021 219 T HN 0.356 nan 8.240 nan 0.000 0.458 220 F N 1.940 121.864 119.950 -0.043 0.000 2.660 220 F HA 0.223 4.751 4.527 0.001 0.000 0.302 220 F C 2.195 177.979 175.800 -0.027 0.000 1.103 220 F CA -0.316 57.656 58.000 -0.046 0.000 1.340 220 F CB 0.274 39.234 39.000 -0.068 0.000 1.048 220 F HN 0.783 nan 8.300 nan 0.000 0.551 221 E N -0.121 120.157 120.200 0.131 0.000 2.204 221 E HA -0.213 4.138 4.350 0.001 0.000 0.195 221 E C 1.868 178.511 176.600 0.072 0.000 0.990 221 E CA 1.567 58.037 56.400 0.117 0.000 0.821 221 E CB -0.474 29.330 29.700 0.174 0.000 0.750 221 E HN 0.385 nan 8.360 nan 0.000 0.477 222 S N -0.443 115.276 115.700 0.031 0.000 2.561 222 S HA 0.220 4.691 4.470 0.001 0.000 0.225 222 S C 1.632 176.242 174.600 0.017 0.000 0.977 222 S CA 0.417 58.620 58.200 0.005 0.000 0.926 222 S CB 0.182 63.356 63.200 -0.043 0.000 0.769 222 S HN 0.638 nan 8.310 nan 0.000 0.533 223 G N 0.586 109.418 108.800 0.054 0.000 2.179 223 G HA2 -0.186 3.775 3.960 0.001 0.000 0.220 223 G HA3 -0.186 3.775 3.960 0.001 0.000 0.220 223 G C 0.016 174.976 174.900 0.101 0.000 0.990 223 G CA 0.052 45.196 45.100 0.074 0.000 0.646 223 G HN 0.698 nan 8.290 nan 0.000 0.517 224 R N 0.370 120.901 120.500 0.051 0.000 2.734 224 R HA 0.565 4.906 4.340 0.001 0.000 0.271 224 R C 0.291 176.419 176.300 -0.286 0.000 1.021 224 R CA 0.265 56.362 56.100 -0.005 0.000 0.893 224 R CB 1.009 31.288 30.300 -0.035 0.000 1.244 224 R HN 0.692 nan 8.270 nan 0.000 0.464 225 S N 0.874 116.213 115.700 -0.602 0.000 2.560 225 S HA 0.531 5.002 4.470 0.001 0.000 0.284 225 S C -0.193 174.091 174.600 -0.525 0.000 1.327 225 S CA -0.260 57.374 58.200 -0.944 0.000 1.055 225 S CB 1.129 63.744 63.200 -0.975 0.000 0.868 225 S HN 0.682 nan 8.310 nan 0.000 0.506 226 A N 2.383 124.907 122.820 -0.493 0.000 2.422 226 A HA 0.681 5.002 4.320 0.001 0.000 0.302 226 A C -1.039 176.285 177.584 -0.433 0.000 1.041 226 A CA -0.840 50.955 52.037 -0.403 0.000 0.708 226 A CB 1.338 20.144 19.000 -0.324 0.000 1.257 226 A HN 0.972 nan 8.150 nan 0.000 0.414 227 L N 3.352 124.306 121.223 -0.448 0.000 2.282 227 L HA 0.761 5.102 4.340 0.001 0.000 0.288 227 L C -0.216 176.359 176.870 -0.491 0.000 1.033 227 L CA -0.189 54.363 54.840 -0.480 0.000 0.807 227 L CB 1.395 43.136 42.059 -0.531 0.000 1.209 227 L HN 0.985 nan 8.230 nan 0.000 0.423 228 V N 2.834 122.409 119.914 -0.565 0.000 3.102 228 V HA 0.672 4.792 4.120 0.001 0.000 0.312 228 V C -0.540 175.264 176.094 -0.483 0.000 1.135 228 V CA -0.818 61.160 62.300 -0.536 0.000 1.022 228 V CB 2.087 33.541 31.823 -0.616 0.000 1.056 228 V HN 0.632 nan 8.190 nan 0.000 0.436 229 I N 1.966 122.361 120.570 -0.291 0.000 2.418 229 I HA 0.527 4.698 4.170 0.001 0.000 0.287 229 I C -0.488 175.595 176.117 -0.057 0.000 1.008 229 I CA -0.280 60.959 61.300 -0.101 0.000 1.104 229 I CB 1.824 39.846 38.000 0.036 0.000 1.264 229 I HN 0.821 nan 8.210 nan 0.000 0.438 230 Q N 4.401 124.220 119.800 0.032 0.000 2.316 230 Q HA 0.422 4.763 4.340 0.001 0.000 0.264 230 Q C -1.038 175.007 176.000 0.076 0.000 0.987 230 Q CA -0.589 55.256 55.803 0.070 0.000 0.852 230 Q CB 1.849 30.698 28.738 0.185 0.000 1.287 230 Q HN 0.579 nan 8.270 nan 0.000 0.448 231 T N 5.209 119.798 114.554 0.058 0.000 2.761 231 T HA 0.188 4.539 4.350 0.001 0.000 0.296 231 T C 1.380 176.126 174.700 0.076 0.000 0.934 231 T CA -0.185 61.950 62.100 0.059 0.000 1.091 231 T CB 0.492 69.385 68.868 0.041 0.000 0.896 231 T HN 0.622 nan 8.240 nan 0.000 0.515 232 L N 2.431 123.716 121.223 0.104 0.000 2.093 232 L HA -0.062 4.278 4.340 0.001 0.000 0.208 232 L C 2.822 179.751 176.870 0.098 0.000 1.085 232 L CA 1.111 56.045 54.840 0.156 0.000 0.755 232 L CB -0.577 41.634 42.059 0.254 0.000 0.904 232 L HN 0.751 nan 8.230 nan 0.000 0.435 233 A N 1.006 123.863 122.820 0.062 0.000 2.015 233 A HA -0.169 4.152 4.320 0.001 0.000 0.219 233 A C 1.700 179.285 177.584 0.002 0.000 1.163 233 A CA 1.973 54.018 52.037 0.014 0.000 0.646 233 A CB -0.396 18.614 19.000 0.017 0.000 0.806 233 A HN 0.679 nan 8.150 nan 0.000 0.448 234 N N -3.655 115.057 118.700 0.019 0.000 2.118 234 N HA 0.240 4.981 4.740 0.001 0.000 0.226 234 N C 0.848 176.372 175.510 0.022 0.000 1.305 234 N CA 1.002 54.060 53.050 0.013 0.000 0.890 234 N CB -0.239 38.253 38.487 0.009 0.000 1.118 234 N HN 0.727 nan 8.380 nan 0.000 0.511 235 G N -0.052 108.772 108.800 0.039 0.000 2.184 235 G HA2 -0.210 3.751 3.960 0.001 0.000 0.264 235 G HA3 -0.210 3.751 3.960 0.001 0.000 0.264 235 G C 0.399 175.316 174.900 0.030 0.000 0.975 235 G CA 0.277 45.405 45.100 0.047 0.000 0.642 235 G HN 0.894 nan 8.290 nan 0.000 0.536 236 A N -0.458 122.374 122.820 0.020 0.000 2.540 236 A HA 0.539 4.860 4.320 0.001 0.000 0.239 236 A C 0.490 178.070 177.584 -0.006 0.000 1.061 236 A CA 0.925 52.965 52.037 0.005 0.000 0.758 236 A CB 0.661 19.664 19.000 0.005 0.000 0.991 236 A HN 1.244 nan 8.150 nan 0.000 0.502 237 V N 3.826 123.722 119.914 -0.031 0.000 2.540 237 V HA 0.534 4.655 4.120 0.001 0.000 0.302 237 V C 0.292 176.337 176.094 -0.083 0.000 1.035 237 V CA -0.651 61.608 62.300 -0.069 0.000 0.873 237 V CB 1.568 33.331 31.823 -0.100 0.000 0.992 237 V HN 0.976 nan 8.190 nan 0.000 0.428 238 R N 3.681 124.121 120.500 -0.100 0.000 2.387 238 R HA 0.442 4.783 4.340 0.001 0.000 0.314 238 R C -0.744 175.453 176.300 -0.171 0.000 0.958 238 R CA -0.665 55.371 56.100 -0.107 0.000 0.846 238 R CB 1.232 31.491 30.300 -0.068 0.000 1.147 238 R HN 0.671 nan 8.270 nan 0.000 0.447 239 Q N 3.189 122.882 119.800 -0.177 0.000 2.288 239 Q HA 0.101 4.442 4.340 0.001 0.000 0.258 239 Q C 0.478 176.331 176.000 -0.244 0.000 0.957 239 Q CA -0.099 55.565 55.803 -0.232 0.000 0.919 239 Q CB 2.002 30.611 28.738 -0.216 0.000 1.185 239 Q HN 0.538 nan 8.270 nan 0.000 0.408 240 V N 0.842 120.564 119.914 -0.320 0.000 2.627 240 V HA 0.289 4.409 4.120 0.001 0.000 0.239 240 V C 0.310 176.171 176.094 -0.388 0.000 1.077 240 V CA 1.211 63.296 62.300 -0.357 0.000 1.103 240 V CB 0.380 31.901 31.823 -0.502 0.000 0.802 240 V HN 0.807 nan 8.190 nan 0.000 0.482 241 A N -0.974 121.576 122.820 -0.450 0.000 2.513 241 A HA 0.700 5.021 4.320 0.001 0.000 0.296 241 A C -0.457 176.861 177.584 -0.443 0.000 1.052 241 A CA 0.100 51.873 52.037 -0.440 0.000 0.714 241 A CB 1.842 20.662 19.000 -0.300 0.000 1.279 241 A HN 0.039 nan 8.150 nan 0.000 0.397 242 S N 2.144 117.511 115.700 -0.554 0.000 2.512 242 S HA 0.514 4.985 4.470 0.001 0.000 0.161 242 S C -0.734 173.630 174.600 -0.392 0.000 1.383 242 S CA -0.351 57.611 58.200 -0.397 0.000 1.248 242 S CB -0.681 62.322 63.200 -0.329 0.000 1.488 242 S HN 0.489 nan 8.310 nan 0.000 0.382 243 F N 2.238 122.084 119.950 -0.172 0.000 2.435 243 F HA 0.402 4.930 4.527 0.001 0.000 0.316 243 F C -1.662 174.076 175.800 -0.104 0.000 1.220 243 F CA -1.804 56.119 58.000 -0.128 0.000 1.241 243 F CB -0.078 38.839 39.000 -0.138 0.000 1.234 243 F HN 0.218 nan 8.300 nan 0.000 0.569 244 P HA 0.087 nan 4.420 nan 0.000 0.267 244 P C -0.443 176.900 177.300 0.071 0.000 1.200 244 P CA 0.405 63.547 63.100 0.070 0.000 0.772 244 P CB 0.468 32.207 31.700 0.065 0.000 0.855 245 R N -1.218 119.319 120.500 0.062 0.000 4.067 245 R HA -0.238 4.103 4.340 0.001 0.000 0.316 245 R C 0.227 176.594 176.300 0.111 0.000 0.241 245 R CA 0.529 56.685 56.100 0.093 0.000 1.056 245 R CB -1.744 28.610 30.300 0.090 0.000 1.069 245 R HN 0.639 nan 8.270 nan 0.000 0.528 246 H N 2.077 121.161 119.070 0.022 0.000 2.467 246 H HA 0.417 4.974 4.556 0.001 0.000 0.331 246 H C -0.724 174.597 175.328 -0.012 0.000 1.120 246 H CA -0.276 55.775 56.048 0.004 0.000 1.270 246 H CB 0.762 30.555 29.762 0.052 0.000 1.466 246 H HN 0.292 nan 8.280 nan 0.000 0.504 247 N N 3.524 121.838 118.700 -0.642 0.000 2.531 247 N HA 0.437 5.178 4.740 0.001 0.000 0.268 247 N C -0.775 174.319 175.510 -0.694 0.000 1.023 247 N CA -0.302 52.464 53.050 -0.474 0.000 0.896 247 N CB 2.102 40.375 38.487 -0.357 0.000 1.233 247 N HN 0.813 nan 8.380 nan 0.000 0.512 248 G N -0.167 108.400 108.800 -0.387 0.000 2.561 248 G HA2 0.557 4.518 3.960 0.001 0.000 0.310 248 G HA3 0.557 4.518 3.960 0.001 0.000 0.310 248 G C -0.914 174.017 174.900 0.052 0.000 1.292 248 G CA 0.028 44.997 45.100 -0.218 0.000 0.811 248 G HN 0.563 nan 8.290 nan 0.000 0.482 249 A N -0.212 122.672 122.820 0.106 0.000 2.667 249 A HA -0.028 4.293 4.320 0.001 0.000 0.298 249 A C -1.798 175.865 177.584 0.133 0.000 1.483 249 A CA 1.017 53.139 52.037 0.141 0.000 0.738 249 A CB -1.861 17.242 19.000 0.172 0.000 1.067 249 A HN 0.749 nan 8.150 nan 0.000 0.451 250 P HA 0.552 nan 4.420 nan 0.000 0.277 250 P C -0.277 177.102 177.300 0.132 0.000 1.240 250 P CA 0.518 63.671 63.100 0.088 0.000 0.798 250 P CB 1.551 33.221 31.700 -0.051 0.000 0.979 251 A N 2.303 125.226 122.820 0.173 0.000 2.465 251 A HA 0.583 4.904 4.320 0.001 0.000 0.292 251 A C -1.118 176.746 177.584 0.468 0.000 1.041 251 A CA -0.527 51.714 52.037 0.340 0.000 0.718 251 A CB 0.467 19.678 19.000 0.352 0.000 1.266 251 A HN 0.296 nan 8.150 nan 0.000 0.403 252 F N 2.160 122.321 119.950 0.352 0.000 2.412 252 F HA 0.408 4.935 4.527 0.001 0.000 0.348 252 F C 1.579 177.272 175.800 -0.178 0.000 1.102 252 F CA 0.593 58.694 58.000 0.169 0.000 1.196 252 F CB 1.481 40.539 39.000 0.097 0.000 1.144 252 F HN 0.648 nan 8.300 nan 0.000 0.541 253 S N 3.136 118.510 115.700 -0.543 0.000 2.572 253 S HA 0.135 4.606 4.470 0.001 0.000 0.279 253 S C -1.958 172.363 174.600 -0.466 0.000 1.341 253 S CA -1.072 56.316 58.200 -1.353 0.000 1.043 253 S CB 0.988 63.285 63.200 -1.504 0.000 0.887 253 S HN 0.395 nan 8.310 nan 0.000 0.516 254 P HA -0.110 nan 4.420 nan 0.000 0.219 254 P C 0.761 178.000 177.300 -0.102 0.000 1.146 254 P CA 1.401 64.431 63.100 -0.117 0.000 0.808 254 P CB -0.162 31.510 31.700 -0.046 0.000 0.779 255 D N -1.990 118.320 120.400 -0.149 0.000 2.340 255 D HA 0.073 4.714 4.640 0.001 0.000 0.220 255 D C 1.485 177.742 176.300 -0.071 0.000 1.039 255 D CA 0.651 54.597 54.000 -0.090 0.000 0.866 255 D CB -0.945 39.806 40.800 -0.082 0.000 0.913 255 D HN 0.210 nan 8.370 nan 0.000 0.523 256 G N 0.146 108.899 108.800 -0.078 0.000 2.205 256 G HA2 -0.370 3.591 3.960 0.001 0.000 0.261 256 G HA3 -0.370 3.591 3.960 0.001 0.000 0.261 256 G C 1.189 176.114 174.900 0.041 0.000 0.980 256 G CA 0.905 46.003 45.100 -0.004 0.000 0.632 256 G HN 0.728 nan 8.290 nan 0.000 0.533 257 S N -1.012 114.677 115.700 -0.020 0.000 2.501 257 S HA 0.413 4.883 4.470 0.001 0.000 0.220 257 S C 0.787 175.409 174.600 0.035 0.000 0.997 257 S CA 1.097 59.303 58.200 0.011 0.000 0.919 257 S CB 0.468 63.661 63.200 -0.012 0.000 0.778 257 S HN 0.586 nan 8.310 nan 0.000 0.523 258 K N 0.198 120.598 120.400 0.001 0.000 2.426 258 K HA 0.624 4.945 4.320 0.001 0.000 0.251 258 K C -1.989 174.690 176.600 0.132 0.000 0.941 258 K CA -0.783 55.546 56.287 0.070 0.000 0.808 258 K CB 2.149 34.689 32.500 0.068 0.000 1.265 258 K HN 0.101 nan 8.250 nan 0.000 0.432 259 L N 1.934 123.272 121.223 0.191 0.000 2.325 259 L HA 0.576 4.917 4.340 0.001 0.000 0.281 259 L C -1.010 176.089 176.870 0.382 0.000 1.004 259 L CA -0.191 54.749 54.840 0.168 0.000 0.823 259 L CB 1.479 43.492 42.059 -0.076 0.000 1.236 259 L HN 0.816 nan 8.230 nan 0.000 0.415 260 A N 4.711 127.788 122.820 0.429 0.000 2.316 260 A HA 0.831 5.152 4.320 0.001 0.000 0.284 260 A C -0.844 176.843 177.584 0.173 0.000 1.115 260 A CA -0.194 51.907 52.037 0.106 0.000 0.812 260 A CB 0.231 19.127 19.000 -0.174 0.000 1.064 260 A HN 0.775 nan 8.150 nan 0.000 0.489 261 F N -1.665 118.280 119.950 -0.009 0.000 2.877 261 F HA 0.759 5.287 4.527 0.001 0.000 0.319 261 F C -0.370 175.447 175.800 0.029 0.000 1.174 261 F CA -0.836 57.155 58.000 -0.015 0.000 0.903 261 F CB 1.079 40.046 39.000 -0.055 0.000 1.357 261 F HN 0.784 nan 8.300 nan 0.000 0.472 262 A N 1.554 124.522 122.820 0.246 0.000 2.342 262 A HA 0.878 5.198 4.320 0.001 0.000 0.323 262 A C -1.555 176.160 177.584 0.218 0.000 1.125 262 A CA -0.782 51.368 52.037 0.188 0.000 0.785 262 A CB 1.211 20.307 19.000 0.160 0.000 1.221 262 A HN 0.778 nan 8.150 nan 0.000 0.463 263 L N 1.769 123.096 121.223 0.174 0.000 2.381 263 L HA 0.515 4.856 4.340 0.001 0.000 0.268 263 L C 0.821 177.750 176.870 0.099 0.000 0.997 263 L CA -0.519 54.332 54.840 0.018 0.000 0.818 263 L CB 2.584 44.390 42.059 -0.421 0.000 1.310 263 L HN 0.840 nan 8.230 nan 0.000 0.416 264 S N -0.859 114.895 115.700 0.090 0.000 2.602 264 S HA 0.024 4.495 4.470 0.001 0.000 0.240 264 S C 1.169 175.798 174.600 0.048 0.000 0.992 264 S CA -0.553 57.700 58.200 0.089 0.000 0.971 264 S CB -0.080 63.190 63.200 0.116 0.000 0.855 264 S HN 0.759 nan 8.310 nan 0.000 0.481 265 K N 1.800 122.199 120.400 -0.001 0.000 2.218 265 K HA -0.173 4.148 4.320 0.001 0.000 0.205 265 K C 1.790 178.386 176.600 -0.007 0.000 1.046 265 K CA 1.997 58.275 56.287 -0.016 0.000 0.933 265 K CB -1.382 31.060 32.500 -0.097 0.000 0.728 265 K HN 0.508 nan 8.250 nan 0.000 0.454 266 T N -3.504 111.053 114.554 0.006 0.000 3.035 266 T HA 0.186 4.537 4.350 0.001 0.000 0.268 266 T C 1.542 176.249 174.700 0.011 0.000 1.109 266 T CA 0.676 62.781 62.100 0.010 0.000 1.119 266 T CB 0.120 69.001 68.868 0.021 0.000 0.900 266 T HN 0.556 nan 8.240 nan 0.000 0.503 267 G N 0.499 109.311 108.800 0.019 0.000 2.229 267 G HA2 -0.031 3.930 3.960 0.001 0.000 0.189 267 G HA3 -0.031 3.930 3.960 0.001 0.000 0.189 267 G C 0.173 175.085 174.900 0.019 0.000 1.000 267 G CA 0.126 45.237 45.100 0.018 0.000 0.663 267 G HN 1.453 nan 8.290 nan 0.000 0.493 268 S N -0.778 114.936 115.700 0.023 0.000 2.596 268 S HA 0.758 5.229 4.470 0.001 0.000 0.270 268 S C -0.498 174.127 174.600 0.041 0.000 1.155 268 S CA -0.945 57.269 58.200 0.023 0.000 0.827 268 S CB 1.754 64.957 63.200 0.004 0.000 1.130 268 S HN 0.765 nan 8.310 nan 0.000 0.467 269 L N 2.412 123.662 121.223 0.046 0.000 2.455 269 L HA 0.404 4.745 4.340 0.001 0.000 0.272 269 L C 0.250 177.140 176.870 0.034 0.000 1.174 269 L CA 0.062 54.945 54.840 0.071 0.000 0.869 269 L CB 0.019 42.126 42.059 0.079 0.000 1.130 269 L HN 0.618 nan 8.230 nan 0.000 0.474 270 N N 3.105 121.844 118.700 0.064 0.000 2.357 270 N HA 0.547 5.288 4.740 0.001 0.000 0.284 270 N C -1.073 174.380 175.510 -0.095 0.000 1.236 270 N CA -0.657 52.351 53.050 -0.070 0.000 0.774 270 N CB 2.399 40.799 38.487 -0.145 0.000 1.534 270 N HN 0.319 nan 8.380 nan 0.000 0.478 271 L N 1.634 122.631 121.223 -0.376 0.000 2.334 271 L HA 0.457 4.798 4.340 0.001 0.000 0.277 271 L C -0.912 175.574 176.870 -0.640 0.000 1.075 271 L CA -0.394 54.199 54.840 -0.413 0.000 0.804 271 L CB 0.334 42.045 42.059 -0.581 0.000 1.174 271 L HN 0.438 nan 8.230 nan 0.000 0.438 272 Y N 0.796 120.742 120.300 -0.590 0.000 2.581 272 Y HA 0.624 5.174 4.550 0.001 0.000 0.345 272 Y C -0.221 175.192 175.900 -0.812 0.000 1.036 272 Y CA -1.113 56.579 58.100 -0.679 0.000 1.042 272 Y CB 2.232 40.211 38.460 -0.802 0.000 1.289 272 Y HN 0.238 nan 8.280 nan 0.000 0.471 273 V N 0.185 119.906 119.914 -0.322 0.000 2.709 273 V HA 0.637 4.758 4.120 0.001 0.000 0.308 273 V C -0.727 175.404 176.094 0.062 0.000 1.062 273 V CA -1.060 61.163 62.300 -0.127 0.000 0.901 273 V CB 1.838 33.686 31.823 0.041 0.000 1.003 273 V HN 0.871 nan 8.190 nan 0.000 0.425 274 M N 3.262 123.011 119.600 0.248 0.000 2.238 274 M HA 0.514 4.994 4.480 0.001 0.000 0.350 274 M C -0.566 175.838 176.300 0.174 0.000 1.138 274 M CA -0.336 55.121 55.300 0.263 0.000 1.040 274 M CB 1.256 34.061 32.600 0.341 0.000 1.639 274 M HN 1.018 nan 8.290 nan 0.000 0.451 275 D N 4.125 124.600 120.400 0.126 0.000 2.338 275 D HA 0.130 4.771 4.640 0.001 0.000 0.255 275 D C 0.759 177.110 176.300 0.086 0.000 1.237 275 D CA 0.048 54.105 54.000 0.095 0.000 0.883 275 D CB 0.524 41.367 40.800 0.072 0.000 1.087 275 D HN 0.719 nan 8.370 nan 0.000 0.485 276 L N 3.574 124.850 121.223 0.088 0.000 2.201 276 L HA -0.086 4.255 4.340 0.001 0.000 0.212 276 L C 2.357 179.265 176.870 0.062 0.000 1.105 276 L CA 0.973 55.863 54.840 0.084 0.000 0.775 276 L CB -0.354 41.777 42.059 0.119 0.000 0.913 276 L HN 0.558 nan 8.230 nan 0.000 0.440 277 A N 0.042 122.894 122.820 0.054 0.000 1.902 277 A HA -0.201 4.120 4.320 0.001 0.000 0.217 277 A C 2.490 180.094 177.584 0.034 0.000 1.181 277 A CA 2.136 54.197 52.037 0.039 0.000 0.623 277 A CB -0.481 18.539 19.000 0.033 0.000 0.818 277 A HN 0.497 nan 8.150 nan 0.000 0.443 278 S N -3.130 112.593 115.700 0.038 0.000 2.497 278 S HA 0.406 4.876 4.470 0.001 0.000 0.218 278 S C 1.512 176.133 174.600 0.035 0.000 1.023 278 S CA 1.165 59.385 58.200 0.033 0.000 0.913 278 S CB 0.152 63.372 63.200 0.035 0.000 0.800 278 S HN 1.936 nan 8.310 nan 0.000 0.505 279 G N 1.107 109.934 108.800 0.045 0.000 2.176 279 G HA2 -0.313 3.648 3.960 0.001 0.000 0.253 279 G HA3 -0.313 3.648 3.960 0.001 0.000 0.253 279 G C -0.090 174.852 174.900 0.070 0.000 0.979 279 G CA 0.287 45.415 45.100 0.046 0.000 0.641 279 G HN 0.783 nan 8.290 nan 0.000 0.530 280 Q N 0.315 120.159 119.800 0.072 0.000 2.311 280 Q HA 0.492 4.833 4.340 0.001 0.000 0.272 280 Q C 0.047 176.116 176.000 0.114 0.000 1.012 280 Q CA -0.007 55.844 55.803 0.081 0.000 0.891 280 Q CB 0.224 28.999 28.738 0.062 0.000 1.201 280 Q HN 0.498 nan 8.270 nan 0.000 0.391 281 I N 4.561 125.211 120.570 0.133 0.000 2.378 281 I HA 0.407 4.578 4.170 0.001 0.000 0.291 281 I C -0.153 176.036 176.117 0.121 0.000 0.992 281 I CA -0.797 60.607 61.300 0.173 0.000 1.154 281 I CB 1.375 39.524 38.000 0.248 0.000 1.315 281 I HN 0.474 nan 8.210 nan 0.000 0.448 282 R N 4.813 125.363 120.500 0.083 0.000 2.562 282 R HA 0.357 4.698 4.340 0.001 0.000 0.298 282 R C -0.668 175.595 176.300 -0.062 0.000 0.961 282 R CA -0.831 55.278 56.100 0.016 0.000 0.881 282 R CB 1.965 32.257 30.300 -0.014 0.000 1.159 282 R HN 0.610 nan 8.270 nan 0.000 0.450 283 Q N 1.700 121.403 119.800 -0.162 0.000 2.288 283 Q HA 0.173 4.514 4.340 0.001 0.000 0.258 283 Q C 0.022 175.752 176.000 -0.451 0.000 0.957 283 Q CA -0.151 55.318 55.803 -0.558 0.000 0.919 283 Q CB 1.182 29.622 28.738 -0.498 0.000 1.185 283 Q HN 0.407 nan 8.270 nan 0.000 0.408 284 V N 2.432 122.008 119.914 -0.562 0.000 2.788 284 V HA 0.054 4.175 4.120 0.001 0.000 0.241 284 V C 0.714 176.576 176.094 -0.387 0.000 1.083 284 V CA 1.353 63.412 62.300 -0.400 0.000 1.103 284 V CB 0.876 32.459 31.823 -0.400 0.000 0.800 284 V HN 0.962 nan 8.190 nan 0.000 0.476 285 T N -1.267 112.999 114.554 -0.480 0.000 2.912 285 T HA 0.543 4.894 4.350 0.001 0.000 0.288 285 T C -0.470 174.030 174.700 -0.333 0.000 1.030 285 T CA -0.195 61.685 62.100 -0.365 0.000 1.020 285 T CB 2.066 70.701 68.868 -0.388 0.000 1.056 285 T HN 0.336 nan 8.240 nan 0.000 0.480 286 D N -0.201 120.071 120.400 -0.215 0.000 2.692 286 D HA 0.219 4.860 4.640 0.001 0.000 0.290 286 D C 0.738 176.975 176.300 -0.105 0.000 1.455 286 D CA -0.450 53.452 54.000 -0.164 0.000 0.796 286 D CB -0.259 40.457 40.800 -0.141 0.000 1.131 286 D HN 0.826 nan 8.370 nan 0.000 0.467 287 G N 0.349 109.088 108.800 -0.101 0.000 2.572 287 G HA2 0.203 4.164 3.960 0.001 0.000 0.261 287 G HA3 0.203 4.164 3.960 0.001 0.000 0.261 287 G C 0.710 175.579 174.900 -0.052 0.000 1.197 287 G CA -0.718 44.341 45.100 -0.069 0.000 0.870 287 G HN 0.074 nan 8.290 nan 0.000 0.548 288 R N -0.310 120.167 120.500 -0.038 0.000 2.236 288 R HA 0.029 4.370 4.340 0.001 0.000 0.208 288 R C 1.790 178.074 176.300 -0.027 0.000 1.036 288 R CA 0.696 56.780 56.100 -0.027 0.000 1.001 288 R CB -0.055 30.233 30.300 -0.020 0.000 0.896 288 R HN 0.605 nan 8.270 nan 0.000 0.464 289 S N 0.687 116.363 115.700 -0.039 0.000 2.608 289 S HA 0.110 4.581 4.470 0.001 0.000 0.261 289 S C 0.091 174.671 174.600 -0.035 0.000 1.314 289 S CA -0.778 57.396 58.200 -0.044 0.000 0.992 289 S CB 0.725 63.880 63.200 -0.075 0.000 0.935 289 S HN 0.070 nan 8.310 nan 0.000 0.564 290 N N 2.275 120.959 118.700 -0.027 0.000 2.426 290 N HA 0.318 5.059 4.740 0.001 0.000 0.275 290 N C -1.126 174.389 175.510 0.009 0.000 1.019 290 N CA -0.326 52.721 53.050 -0.005 0.000 0.941 290 N CB 0.592 39.082 38.487 0.004 0.000 1.123 290 N HN 0.581 nan 8.380 nan 0.000 0.486 291 N N 0.933 119.651 118.700 0.030 0.000 2.461 291 N HA 0.331 5.072 4.740 0.001 0.000 0.284 291 N C -0.639 174.912 175.510 0.068 0.000 1.049 291 N CA -0.223 52.885 53.050 0.097 0.000 0.889 291 N CB 2.536 41.008 38.487 -0.024 0.000 1.365 291 N HN 0.457 nan 8.380 nan 0.000 0.499 292 T N -0.409 114.241 114.554 0.161 0.000 2.648 292 T HA 0.219 4.570 4.350 0.001 0.000 0.304 292 T C -1.252 173.543 174.700 0.158 0.000 1.312 292 T CA -0.231 61.942 62.100 0.121 0.000 1.023 292 T CB 0.481 69.421 68.868 0.121 0.000 1.612 292 T HN 0.596 nan 8.240 nan 0.000 0.487 293 E N 0.994 121.275 120.200 0.135 0.000 2.252 293 E HA -0.113 4.237 4.350 0.001 0.000 0.218 293 E C -2.544 174.130 176.600 0.123 0.000 1.253 293 E CA 0.236 56.716 56.400 0.134 0.000 0.705 293 E CB -0.985 28.791 29.700 0.127 0.000 1.172 293 E HN 0.377 nan 8.360 nan 0.000 0.369 294 P HA 0.061 nan 4.420 nan 0.000 0.275 294 P C -0.249 177.035 177.300 -0.026 0.000 1.228 294 P CA 0.175 63.269 63.100 -0.009 0.000 0.786 294 P CB 1.748 33.345 31.700 -0.172 0.000 0.927 295 T N 1.926 116.438 114.554 -0.069 0.000 2.933 295 T HA 0.476 4.827 4.350 0.001 0.000 0.305 295 T C -1.639 173.013 174.700 -0.080 0.000 1.092 295 T CA -0.546 61.538 62.100 -0.025 0.000 1.008 295 T CB 0.409 69.279 68.868 0.003 0.000 1.102 295 T HN 0.207 nan 8.240 nan 0.000 0.469 296 W N 3.532 124.854 121.300 0.037 0.000 2.316 296 W HA 0.627 5.287 4.660 0.001 0.000 0.321 296 W C -0.025 176.475 176.519 -0.033 0.000 1.203 296 W CA -0.805 56.586 57.345 0.076 0.000 1.214 296 W CB 0.492 30.014 29.460 0.104 0.000 1.169 296 W HN 0.520 nan 8.180 nan 0.000 0.561 297 F N 3.040 123.172 119.950 0.304 0.000 2.403 297 F HA 0.166 4.693 4.527 0.001 0.000 0.320 297 F C -0.883 175.037 175.800 0.199 0.000 1.176 297 F CA -1.863 56.252 58.000 0.193 0.000 1.206 297 F CB -0.054 39.033 39.000 0.145 0.000 1.235 297 F HN 0.213 nan 8.300 nan 0.000 0.565 298 P HA -0.138 nan 4.420 nan 0.000 0.225 298 P C 0.469 177.862 177.300 0.156 0.000 1.148 298 P CA 1.174 64.374 63.100 0.168 0.000 0.779 298 P CB -0.093 31.680 31.700 0.122 0.000 0.780 299 D N -2.296 118.230 120.400 0.209 0.000 2.349 299 D HA 0.003 4.644 4.640 0.001 0.000 0.224 299 D C 0.349 176.731 176.300 0.136 0.000 1.029 299 D CA 0.132 54.220 54.000 0.147 0.000 0.879 299 D CB -0.855 40.025 40.800 0.133 0.000 0.906 299 D HN -0.152 nan 8.370 nan 0.000 0.528 300 S N -0.909 114.894 115.700 0.171 0.000 3.521 300 S HA -0.259 4.212 4.470 0.001 0.000 0.328 300 S C 0.894 175.650 174.600 0.260 0.000 1.165 300 S CA 1.185 59.398 58.200 0.021 0.000 0.941 300 S CB -1.615 61.464 63.200 -0.201 0.000 0.951 300 S HN 0.638 nan 8.310 nan 0.000 0.539 301 Q N -0.841 119.208 119.800 0.415 0.000 2.313 301 Q HA 0.207 4.548 4.340 0.001 0.000 0.263 301 Q C 0.053 176.233 176.000 0.300 0.000 0.820 301 Q CA -0.127 55.882 55.803 0.343 0.000 0.974 301 Q CB 0.482 29.320 28.738 0.166 0.000 1.156 301 Q HN 0.466 nan 8.270 nan 0.000 0.517 302 N N 0.933 119.817 118.700 0.306 0.000 2.361 302 N HA 0.468 5.209 4.740 0.001 0.000 0.302 302 N C -1.174 174.512 175.510 0.295 0.000 1.074 302 N CA -0.159 52.988 53.050 0.160 0.000 0.850 302 N CB 1.980 40.401 38.487 -0.110 0.000 1.228 302 N HN -0.001 nan 8.380 nan 0.000 0.491 303 L N 1.261 122.562 121.223 0.130 0.000 2.346 303 L HA 0.643 4.984 4.340 0.001 0.000 0.276 303 L C 0.178 177.282 176.870 0.390 0.000 1.006 303 L CA -0.904 53.977 54.840 0.068 0.000 0.817 303 L CB 1.829 43.718 42.059 -0.284 0.000 1.272 303 L HN 0.453 nan 8.230 nan 0.000 0.421 304 A N 2.912 125.948 122.820 0.359 0.000 2.304 304 A HA 0.903 5.224 4.320 0.001 0.000 0.301 304 A C -0.865 176.886 177.584 0.278 0.000 1.132 304 A CA -0.220 51.997 52.037 0.301 0.000 0.819 304 A CB 0.736 19.798 19.000 0.103 0.000 1.094 304 A HN 0.626 nan 8.150 nan 0.000 0.492 305 F N -1.654 118.316 119.950 0.034 0.000 2.773 305 F HA 0.643 5.171 4.527 0.002 0.000 0.314 305 F C -0.605 175.215 175.800 0.034 0.000 1.160 305 F CA -0.803 57.198 58.000 0.001 0.000 0.920 305 F CB 0.834 39.806 39.000 -0.047 0.000 1.323 305 F HN 0.343 nan 8.300 nan 0.000 0.457 306 T N 1.793 116.418 114.554 0.118 0.000 2.771 306 T HA 0.552 4.903 4.350 0.001 0.000 0.291 306 T C -0.629 174.081 174.700 0.016 0.000 0.954 306 T CA -0.346 61.758 62.100 0.006 0.000 1.045 306 T CB 1.053 69.953 68.868 0.055 0.000 0.917 306 T HN 0.782 nan 8.240 nan 0.000 0.484 307 S N 1.333 116.934 115.700 -0.166 0.000 2.542 307 S HA 0.442 4.913 4.470 0.001 0.000 0.293 307 S C -0.302 174.196 174.600 -0.170 0.000 1.089 307 S CA -0.889 57.170 58.200 -0.234 0.000 0.961 307 S CB 1.151 63.924 63.200 -0.713 0.000 1.062 307 S HN 0.778 nan 8.310 nan 0.000 0.483 308 D N 2.099 122.426 120.400 -0.120 0.000 2.463 308 D HA 0.082 4.722 4.640 0.001 0.000 0.224 308 D C 1.103 177.355 176.300 -0.079 0.000 1.174 308 D CA -0.128 53.830 54.000 -0.069 0.000 0.829 308 D CB -0.034 40.745 40.800 -0.035 0.000 0.993 308 D HN 0.590 nan 8.370 nan 0.000 0.497 309 Q N 0.316 120.018 119.800 -0.163 0.000 2.181 309 Q HA -0.152 4.188 4.340 0.001 0.000 0.205 309 Q C 1.478 177.470 176.000 -0.015 0.000 0.980 309 Q CA 1.640 57.373 55.803 -0.117 0.000 0.862 309 Q CB -0.007 28.598 28.738 -0.222 0.000 0.905 309 Q HN 0.407 nan 8.270 nan 0.000 0.429 310 A N -1.089 121.752 122.820 0.035 0.000 2.275 310 A HA 0.426 4.747 4.320 0.001 0.000 0.212 310 A C 1.006 178.609 177.584 0.033 0.000 1.201 310 A CA 0.893 52.969 52.037 0.065 0.000 0.843 310 A CB 0.264 19.320 19.000 0.094 0.000 0.873 310 A HN 0.581 nan 8.150 nan 0.000 0.492 311 G N -0.372 108.436 108.800 0.013 0.000 2.145 311 G HA2 -0.107 3.853 3.960 0.001 0.000 0.203 311 G HA3 -0.107 3.853 3.960 0.001 0.000 0.203 311 G C -0.159 174.740 174.900 -0.000 0.000 1.096 311 G CA -0.438 44.666 45.100 0.007 0.000 1.282 311 G HN 0.441 nan 8.290 nan 0.000 0.474 312 R N 2.061 122.561 120.500 0.000 0.000 2.623 312 R HA 0.374 4.715 4.340 0.001 0.000 0.271 312 R C -2.230 174.064 176.300 -0.009 0.000 1.043 312 R CA -0.802 55.294 56.100 -0.006 0.000 1.083 312 R CB 0.137 30.433 30.300 -0.007 0.000 0.974 312 R HN 0.219 nan 8.270 nan 0.000 0.436 313 P HA -0.140 nan 4.420 nan 0.000 0.263 313 P C -0.737 176.552 177.300 -0.018 0.000 1.168 313 P CA 0.809 63.900 63.100 -0.015 0.000 0.759 313 P CB 0.602 32.293 31.700 -0.016 0.000 0.782 314 Q N 0.880 120.682 119.800 0.003 0.000 2.544 314 Q HA 0.479 4.820 4.340 0.001 0.000 0.291 314 Q C -1.014 174.970 176.000 -0.028 0.000 1.068 314 Q CA -0.985 54.789 55.803 -0.048 0.000 0.785 314 Q CB 1.878 30.542 28.738 -0.123 0.000 1.481 314 Q HN 0.072 nan 8.270 nan 0.000 0.430 315 V N 1.661 121.485 119.914 -0.150 0.000 2.439 315 V HA 0.371 4.491 4.120 0.001 0.000 0.282 315 V C -0.900 175.005 176.094 -0.314 0.000 1.039 315 V CA -0.300 61.897 62.300 -0.172 0.000 0.913 315 V CB 0.328 32.069 31.823 -0.137 0.000 0.983 315 V HN 0.549 nan 8.190 nan 0.000 0.460 316 Y N 2.819 122.725 120.300 -0.656 0.000 2.621 316 Y HA 0.653 5.204 4.550 0.002 0.000 0.334 316 Y C 0.178 175.786 175.900 -0.486 0.000 1.074 316 Y CA -1.144 56.542 58.100 -0.690 0.000 1.149 316 Y CB 1.783 39.609 38.460 -1.056 0.000 1.302 316 Y HN 0.477 nan 8.280 nan 0.000 0.501 317 K N 0.989 121.393 120.400 0.006 0.000 2.422 317 K HA 0.793 5.114 4.320 0.001 0.000 0.251 317 K C -2.238 174.537 176.600 0.291 0.000 0.933 317 K CA -0.743 55.663 56.287 0.199 0.000 0.798 317 K CB 2.352 34.902 32.500 0.083 0.000 1.238 317 K HN 0.530 nan 8.250 nan 0.000 0.428 318 V N 2.891 122.978 119.914 0.288 0.000 2.932 318 V HA 0.338 4.458 4.120 0.001 0.000 0.307 318 V C -1.523 174.589 176.094 0.030 0.000 1.147 318 V CA -0.901 61.491 62.300 0.153 0.000 0.951 318 V CB 2.185 34.087 31.823 0.132 0.000 1.031 318 V HN 0.980 nan 8.190 nan 0.000 0.426 319 N N 3.359 122.059 118.700 -0.000 0.000 2.472 319 N HA 0.355 5.096 4.740 0.001 0.000 0.277 319 N C 1.340 176.834 175.510 -0.026 0.000 1.081 319 N CA -0.119 52.927 53.050 -0.007 0.000 0.973 319 N CB 1.241 39.725 38.487 -0.005 0.000 1.105 319 N HN 0.739 nan 8.380 nan 0.000 0.470 320 I N 0.487 121.052 120.570 -0.008 0.000 2.916 320 I HA -0.080 4.091 4.170 0.001 0.000 0.267 320 I C 0.530 176.634 176.117 -0.022 0.000 1.263 320 I CA 0.910 62.191 61.300 -0.032 0.000 1.471 320 I CB -0.173 37.851 38.000 0.040 0.000 1.089 320 I HN 0.486 nan 8.210 nan 0.000 0.468 321 N N 1.565 120.264 118.700 -0.001 0.000 2.392 321 N HA 0.226 4.967 4.740 0.001 0.000 0.177 321 N C 0.810 176.310 175.510 -0.017 0.000 1.066 321 N CA 1.021 54.070 53.050 -0.001 0.000 0.895 321 N CB 0.953 39.450 38.487 0.015 0.000 0.988 321 N HN 0.619 nan 8.380 nan 0.000 0.457 322 G N -1.263 107.522 108.800 -0.025 0.000 2.350 322 G HA2 0.412 4.373 3.960 0.001 0.000 0.304 322 G HA3 0.412 4.373 3.960 0.001 0.000 0.304 322 G C -0.819 174.070 174.900 -0.020 0.000 1.421 322 G CA -0.159 44.924 45.100 -0.029 0.000 0.934 322 G HN 0.391 nan 8.290 nan 0.000 0.632 323 G N -1.428 107.362 108.800 -0.017 0.000 2.697 323 G HA2 0.545 4.506 3.960 0.001 0.000 0.686 323 G HA3 0.545 4.506 3.960 0.001 0.000 0.686 323 G C 0.189 175.093 174.900 0.007 0.000 1.179 323 G CA 0.663 45.761 45.100 -0.002 0.000 0.765 323 G HN 2.461 nan 8.290 nan 0.000 0.649 324 A N 2.656 125.490 122.820 0.025 0.000 2.440 324 A HA 0.745 5.066 4.320 0.001 0.000 0.251 324 A C -1.108 176.533 177.584 0.095 0.000 1.089 324 A CA -0.438 51.627 52.037 0.048 0.000 0.779 324 A CB -0.225 18.807 19.000 0.053 0.000 1.022 324 A HN 0.741 nan 8.150 nan 0.000 0.492 325 P HA 0.211 nan 4.420 nan 0.000 0.268 325 P C -0.695 176.767 177.300 0.270 0.000 1.208 325 P CA 0.091 63.357 63.100 0.277 0.000 0.777 325 P CB 0.380 32.346 31.700 0.444 0.000 0.875 326 Q N 0.452 120.383 119.800 0.217 0.000 2.356 326 Q HA 0.479 4.820 4.340 0.001 0.000 0.270 326 Q C -0.556 175.293 176.000 -0.252 0.000 1.058 326 Q CA -1.227 54.623 55.803 0.078 0.000 0.802 326 Q CB 2.024 30.803 28.738 0.069 0.000 1.303 326 Q HN 0.236 nan 8.270 nan 0.000 0.444 327 R N 2.551 122.634 120.500 -0.695 0.000 2.537 327 R HA 0.146 4.487 4.340 0.001 0.000 0.280 327 R C 0.499 176.320 176.300 -0.798 0.000 1.058 327 R CA 0.326 55.556 56.100 -1.449 0.000 1.057 327 R CB 0.365 29.605 30.300 -1.766 0.000 0.973 327 R HN 0.950 nan 8.270 nan 0.000 0.438 328 I N -0.481 119.659 120.570 -0.717 0.000 4.327 328 I HA 0.208 4.379 4.170 0.001 0.000 0.331 328 I C -0.129 175.776 176.117 -0.354 0.000 1.348 328 I CA -0.567 60.537 61.300 -0.327 0.000 1.152 328 I CB 0.965 38.915 38.000 -0.083 0.000 1.151 328 I HN 0.415 nan 8.210 nan 0.000 0.410 329 T N -2.492 111.716 114.554 -0.577 0.000 2.781 329 T HA 0.363 4.714 4.350 0.001 0.000 0.305 329 T C -0.570 173.823 174.700 -0.512 0.000 1.001 329 T CA -0.441 61.439 62.100 -0.367 0.000 0.950 329 T CB 0.307 69.034 68.868 -0.236 0.000 0.955 329 T HN 0.441 nan 8.240 nan 0.000 0.471 330 W N 1.284 122.540 121.300 -0.074 0.000 3.008 330 W HA 0.310 4.971 4.660 0.001 0.000 0.355 330 W C 0.584 177.080 176.519 -0.037 0.000 1.095 330 W CA -0.716 56.591 57.345 -0.063 0.000 1.738 330 W CB 0.569 29.992 29.460 -0.060 0.000 1.091 330 W HN 0.551 nan 8.180 nan 0.000 0.574 331 E N 0.739 121.019 120.200 0.133 0.000 2.151 331 E HA 0.526 4.876 4.350 0.001 0.000 0.275 331 E C 0.343 176.965 176.600 0.038 0.000 0.936 331 E CA -0.374 56.076 56.400 0.084 0.000 0.777 331 E CB 1.348 31.091 29.700 0.072 0.000 1.108 331 E HN 0.022 nan 8.360 nan 0.000 0.401 332 G N 1.422 110.243 108.800 0.036 0.000 2.675 332 G HA2 -0.240 3.721 3.960 0.001 0.000 0.686 332 G HA3 -0.240 3.721 3.960 0.001 0.000 0.686 332 G C 0.546 175.451 174.900 0.008 0.000 1.215 332 G CA -0.221 44.890 45.100 0.018 0.000 0.777 332 G HN 0.564 nan 8.290 nan 0.000 0.638 333 S N -0.484 115.220 115.700 0.006 0.000 2.453 333 S HA 0.198 4.669 4.470 0.001 0.000 0.231 333 S C 0.817 175.410 174.600 -0.012 0.000 1.005 333 S CA 1.887 60.088 58.200 0.002 0.000 0.949 333 S CB 0.306 63.509 63.200 0.005 0.000 0.774 333 S HN 1.295 nan 8.310 nan 0.000 0.510 334 Q N 0.253 120.041 119.800 -0.020 0.000 2.364 334 Q HA 0.419 4.760 4.340 0.001 0.000 0.257 334 Q C -2.221 173.758 176.000 -0.035 0.000 0.956 334 Q CA -0.535 55.251 55.803 -0.028 0.000 0.924 334 Q CB 1.113 29.836 28.738 -0.026 0.000 1.413 334 Q HN 0.328 nan 8.270 nan 0.000 0.418 335 N N 3.220 121.893 118.700 -0.044 0.000 2.264 335 N HA 0.415 5.156 4.740 0.001 0.000 0.288 335 N C -1.604 173.881 175.510 -0.041 0.000 1.094 335 N CA -0.377 52.647 53.050 -0.045 0.000 0.817 335 N CB 2.386 40.836 38.487 -0.061 0.000 1.604 335 N HN 0.737 nan 8.380 nan 0.000 0.473 336 Q N -0.521 119.263 119.800 -0.028 0.000 2.738 336 Q HA 0.304 4.644 4.340 0.001 0.000 0.301 336 Q C -1.605 174.397 176.000 0.004 0.000 0.901 336 Q CA -0.567 55.228 55.803 -0.013 0.000 0.756 336 Q CB 1.372 30.107 28.738 -0.005 0.000 1.463 336 Q HN 0.347 nan 8.270 nan 0.000 0.432 337 D N -0.698 119.719 120.400 0.028 0.000 2.760 337 D HA -0.151 4.490 4.640 0.001 0.000 0.244 337 D C -1.004 175.325 176.300 0.049 0.000 1.123 337 D CA 1.223 55.255 54.000 0.054 0.000 0.719 337 D CB -0.960 39.873 40.800 0.056 0.000 1.045 337 D HN 0.885 nan 8.370 nan 0.000 0.426 338 A N 1.082 123.922 122.820 0.033 0.000 2.287 338 A HA 0.580 4.901 4.320 0.001 0.000 0.273 338 A C 0.068 177.662 177.584 0.017 0.000 1.091 338 A CA -0.149 51.895 52.037 0.012 0.000 0.817 338 A CB 0.957 19.945 19.000 -0.020 0.000 1.069 338 A HN 0.347 nan 8.150 nan 0.000 0.492 339 D N -0.096 120.298 120.400 -0.010 0.000 2.686 339 D HA 0.447 5.088 4.640 0.001 0.000 0.249 339 D C -1.135 175.085 176.300 -0.134 0.000 1.260 339 D CA -0.125 53.861 54.000 -0.025 0.000 0.910 339 D CB 1.580 42.401 40.800 0.037 0.000 1.323 339 D HN 0.252 nan 8.370 nan 0.000 0.561 340 V N 3.149 122.932 119.914 -0.217 0.000 2.546 340 V HA 0.338 4.459 4.120 0.001 0.000 0.284 340 V C 0.834 176.702 176.094 -0.376 0.000 1.050 340 V CA -0.621 61.450 62.300 -0.381 0.000 0.981 340 V CB 1.304 32.748 31.823 -0.631 0.000 0.990 340 V HN 0.756 nan 8.190 nan 0.000 0.474 341 S N 3.216 118.563 115.700 -0.588 0.000 2.576 341 S HA 0.030 4.500 4.470 0.001 0.000 0.272 341 S C 1.498 175.904 174.600 -0.324 0.000 1.352 341 S CA 0.112 57.935 58.200 -0.628 0.000 1.021 341 S CB 0.917 63.366 63.200 -1.252 0.000 0.887 341 S HN 1.101 nan 8.310 nan 0.000 0.542 342 S N 0.510 116.075 115.700 -0.226 0.000 2.419 342 S HA -0.169 4.301 4.470 0.001 0.000 0.233 342 S C 1.089 175.660 174.600 -0.049 0.000 1.016 342 S CA 1.025 59.159 58.200 -0.110 0.000 0.974 342 S CB -0.820 62.321 63.200 -0.098 0.000 0.786 342 S HN 0.929 nan 8.310 nan 0.000 0.492 343 D N 0.189 120.557 120.400 -0.052 0.000 2.350 343 D HA 0.251 4.892 4.640 0.001 0.000 0.213 343 D C 1.469 177.784 176.300 0.025 0.000 1.031 343 D CA 0.602 54.609 54.000 0.012 0.000 0.861 343 D CB -0.757 40.073 40.800 0.050 0.000 0.926 343 D HN 0.586 nan 8.370 nan 0.000 0.520 344 G N 0.746 109.523 108.800 -0.038 0.000 2.162 344 G HA2 -0.349 3.612 3.960 0.001 0.000 0.260 344 G HA3 -0.349 3.612 3.960 0.001 0.000 0.260 344 G C 1.193 176.133 174.900 0.067 0.000 0.976 344 G CA 0.522 45.638 45.100 0.027 0.000 0.655 344 G HN 0.334 nan 8.290 nan 0.000 0.533 345 K N -0.794 119.641 120.400 0.058 0.000 2.228 345 K HA 0.254 4.575 4.320 0.001 0.000 0.202 345 K C 0.931 177.696 176.600 0.275 0.000 1.051 345 K CA 1.464 57.862 56.287 0.186 0.000 0.960 345 K CB -0.041 32.613 32.500 0.257 0.000 0.743 345 K HN 0.909 nan 8.250 nan 0.000 0.458 346 F N -0.818 119.145 119.950 0.021 0.000 2.779 346 F HA 0.525 5.054 4.527 0.003 0.000 0.316 346 F C -1.093 174.689 175.800 -0.029 0.000 1.164 346 F CA -1.779 56.225 58.000 0.007 0.000 0.924 346 F CB 0.865 39.867 39.000 0.004 0.000 1.348 346 F HN -0.190 nan 8.300 nan 0.000 0.467 347 M N 2.220 121.872 119.600 0.086 0.000 2.593 347 M HA 0.858 5.339 4.480 0.001 0.000 0.290 347 M C -1.559 174.826 176.300 0.142 0.000 1.244 347 M CA -1.089 54.180 55.300 -0.051 0.000 0.857 347 M CB 2.383 34.931 32.600 -0.088 0.000 1.738 347 M HN 0.902 nan 8.290 nan 0.000 0.461 348 V N 0.605 120.568 119.914 0.082 0.000 2.975 348 V HA 0.910 5.031 4.120 0.001 0.000 0.318 348 V C -0.339 175.780 176.094 0.041 0.000 1.077 348 V CA -0.668 61.690 62.300 0.098 0.000 1.000 348 V CB 1.720 33.615 31.823 0.121 0.000 1.066 348 V HN 1.206 nan 8.190 nan 0.000 0.452 349 M N 1.198 120.813 119.600 0.025 0.000 3.012 349 M HA 0.731 5.212 4.480 0.001 0.000 0.272 349 M C -2.050 174.245 176.300 -0.009 0.000 1.187 349 M CA -0.822 54.483 55.300 0.009 0.000 0.813 349 M CB 1.855 34.454 32.600 -0.000 0.000 1.626 349 M HN 0.364 nan 8.290 nan 0.000 0.507 350 V N 1.952 121.858 119.914 -0.013 0.000 2.347 350 V HA 0.534 4.655 4.120 0.001 0.000 0.280 350 V C -0.411 175.665 176.094 -0.031 0.000 1.021 350 V CA -0.291 61.991 62.300 -0.030 0.000 0.847 350 V CB 1.338 33.143 31.823 -0.030 0.000 0.990 350 V HN 0.818 nan 8.190 nan 0.000 0.444 351 S N 3.306 118.989 115.700 -0.028 0.000 2.449 351 S HA 0.568 5.039 4.470 0.001 0.000 0.310 351 S C -0.108 174.468 174.600 -0.041 0.000 1.096 351 S CA -0.517 57.670 58.200 -0.022 0.000 1.095 351 S CB 1.498 64.699 63.200 0.002 0.000 1.007 351 S HN 0.717 nan 8.310 nan 0.000 0.474 352 S N 4.025 119.698 115.700 -0.044 0.000 2.478 352 S HA 0.591 5.062 4.470 0.001 0.000 0.312 352 S C -0.545 174.035 174.600 -0.034 0.000 1.094 352 S CA -0.937 57.226 58.200 -0.062 0.000 1.081 352 S CB 0.602 63.764 63.200 -0.065 0.000 1.007 352 S HN 0.676 nan 8.310 nan 0.000 0.475 353 N N 0.962 119.643 118.700 -0.031 0.000 2.367 353 N HA 0.512 5.252 4.740 0.001 0.000 0.278 353 N C 0.510 176.020 175.510 0.000 0.000 1.117 353 N CA 0.065 53.112 53.050 -0.004 0.000 0.867 353 N CB 2.067 40.564 38.487 0.017 0.000 1.649 353 N HN 0.780 nan 8.380 nan 0.000 0.479 354 G N 1.725 110.530 108.800 0.009 0.000 2.602 354 G HA2 -0.304 3.656 3.960 0.001 0.000 0.310 354 G HA3 -0.304 3.656 3.960 0.001 0.000 0.310 354 G C 0.461 175.364 174.900 0.006 0.000 1.183 354 G CA 0.547 45.655 45.100 0.014 0.000 0.979 354 G HN 0.907 nan 8.290 nan 0.000 0.545 355 G N -0.132 108.675 108.800 0.011 0.000 4.250 355 G HA2 0.571 4.531 3.960 0.001 0.000 0.295 355 G HA3 0.571 4.531 3.960 0.001 0.000 0.295 355 G C 0.168 175.067 174.900 -0.001 0.000 1.081 355 G CA 0.716 45.821 45.100 0.009 0.000 0.854 355 G HN 0.706 nan 8.290 nan 0.000 0.524 356 Q N 0.052 119.824 119.800 -0.046 0.000 2.416 356 Q HA 0.586 4.927 4.340 0.001 0.000 0.279 356 Q C -0.829 175.000 176.000 -0.284 0.000 1.101 356 Q CA -0.898 54.814 55.803 -0.152 0.000 0.830 356 Q CB 2.090 30.745 28.738 -0.139 0.000 1.402 356 Q HN 0.452 nan 8.270 nan 0.000 0.445 357 Q N 0.550 120.061 119.800 -0.481 0.000 2.305 357 Q HA 0.608 4.949 4.340 0.001 0.000 0.271 357 Q C -1.520 174.149 176.000 -0.552 0.000 1.046 357 Q CA -0.669 54.894 55.803 -0.400 0.000 0.798 357 Q CB 2.016 30.613 28.738 -0.235 0.000 1.286 357 Q HN 0.705 nan 8.270 nan 0.000 0.435 358 H N 0.724 119.758 119.070 -0.060 0.000 2.946 358 H HA 0.469 5.027 4.556 0.002 0.000 0.365 358 H C -0.594 174.655 175.328 -0.132 0.000 1.197 358 H CA -1.133 54.863 56.048 -0.087 0.000 1.131 358 H CB 1.607 31.338 29.762 -0.052 0.000 1.849 358 H HN 0.500 nan 8.280 nan 0.000 0.555 359 I N 1.712 122.232 120.570 -0.084 0.000 2.496 359 I HA 0.404 4.575 4.170 0.001 0.000 0.285 359 I C 0.442 176.520 176.117 -0.066 0.000 1.080 359 I CA 0.107 61.309 61.300 -0.163 0.000 1.404 359 I CB 0.218 37.974 38.000 -0.407 0.000 1.403 359 I HN 0.624 nan 8.210 nan 0.000 0.539 360 A N 6.849 129.653 122.820 -0.027 0.000 2.454 360 A HA 0.698 5.019 4.320 0.001 0.000 0.302 360 A C -0.496 177.103 177.584 0.024 0.000 1.079 360 A CA -0.801 51.236 52.037 0.001 0.000 0.731 360 A CB 1.881 20.888 19.000 0.012 0.000 1.299 360 A HN 0.679 nan 8.150 nan 0.000 0.413 361 K N 0.883 121.302 120.400 0.032 0.000 2.221 361 K HA 0.546 4.867 4.320 0.001 0.000 0.258 361 K C -0.858 175.783 176.600 0.069 0.000 0.944 361 K CA -0.328 56.003 56.287 0.074 0.000 0.823 361 K CB 1.387 33.898 32.500 0.018 0.000 1.113 361 K HN 0.768 nan 8.250 nan 0.000 0.431 362 Q N 3.252 123.123 119.800 0.118 0.000 2.321 362 Q HA 0.127 4.468 4.340 0.001 0.000 0.270 362 Q C -1.441 174.650 176.000 0.151 0.000 1.032 362 Q CA -0.809 55.054 55.803 0.100 0.000 0.784 362 Q CB 1.577 30.360 28.738 0.076 0.000 1.264 362 Q HN 0.651 nan 8.270 nan 0.000 0.448 363 D N 4.317 124.786 120.400 0.114 0.000 2.371 363 D HA 0.050 4.691 4.640 0.001 0.000 0.256 363 D C 0.649 177.031 176.300 0.135 0.000 1.193 363 D CA 0.184 54.265 54.000 0.135 0.000 0.881 363 D CB 1.060 41.904 40.800 0.075 0.000 1.143 363 D HN 0.736 nan 8.370 nan 0.000 0.473 364 L N 3.331 124.653 121.223 0.164 0.000 2.478 364 L HA -0.020 4.320 4.340 0.001 0.000 0.223 364 L C 2.206 179.154 176.870 0.130 0.000 1.140 364 L CA 0.464 55.399 54.840 0.158 0.000 0.842 364 L CB -0.025 42.156 42.059 0.203 0.000 0.953 364 L HN 0.441 nan 8.230 nan 0.000 0.452 365 A N -0.245 122.641 122.820 0.111 0.000 1.956 365 A HA -0.070 4.251 4.320 0.001 0.000 0.212 365 A C 2.285 179.908 177.584 0.065 0.000 1.188 365 A CA 1.459 53.545 52.037 0.082 0.000 0.675 365 A CB -0.370 18.674 19.000 0.074 0.000 0.845 365 A HN 0.396 nan 8.150 nan 0.000 0.455 366 T N -5.411 109.181 114.554 0.064 0.000 3.015 366 T HA 0.410 4.761 4.350 0.001 0.000 0.250 366 T C 1.475 176.207 174.700 0.054 0.000 1.057 366 T CA 1.185 63.313 62.100 0.047 0.000 1.066 366 T CB 0.302 69.192 68.868 0.036 0.000 0.959 366 T HN 1.644 nan 8.240 nan 0.000 0.488 367 G N 1.282 110.125 108.800 0.072 0.000 2.162 367 G HA2 -0.098 3.863 3.960 0.001 0.000 0.260 367 G HA3 -0.098 3.863 3.960 0.001 0.000 0.260 367 G C 0.481 175.419 174.900 0.063 0.000 0.976 367 G CA -0.109 45.039 45.100 0.081 0.000 0.655 367 G HN 1.066 nan 8.290 nan 0.000 0.533 368 G N -0.463 108.366 108.800 0.048 0.000 2.313 368 G HA2 0.525 4.486 3.960 0.001 0.000 0.250 368 G HA3 0.525 4.486 3.960 0.001 0.000 0.250 368 G C 0.069 174.988 174.900 0.032 0.000 1.281 368 G CA 0.525 45.644 45.100 0.032 0.000 0.917 368 G HN 1.010 nan 8.290 nan 0.000 0.501 369 V N 2.975 122.905 119.914 0.027 0.000 2.513 369 V HA 0.502 4.623 4.120 0.001 0.000 0.299 369 V C 0.070 176.170 176.094 0.010 0.000 1.035 369 V CA -0.659 61.655 62.300 0.024 0.000 0.889 369 V CB 1.711 33.551 31.823 0.029 0.000 0.988 369 V HN 0.843 nan 8.190 nan 0.000 0.440 370 Q N 3.006 122.808 119.800 0.003 0.000 2.274 370 Q HA 0.539 4.880 4.340 0.001 0.000 0.268 370 Q C -1.622 174.375 176.000 -0.005 0.000 1.015 370 Q CA -0.516 55.283 55.803 -0.007 0.000 0.775 370 Q CB 2.273 30.996 28.738 -0.025 0.000 1.256 370 Q HN 0.584 nan 8.270 nan 0.000 0.442 371 V N 6.100 126.012 119.914 -0.004 0.000 2.555 371 V HA 0.050 4.171 4.120 0.001 0.000 0.286 371 V C 1.006 177.083 176.094 -0.029 0.000 1.044 371 V CA 0.387 62.682 62.300 -0.007 0.000 1.026 371 V CB 0.946 32.771 31.823 0.003 0.000 0.981 371 V HN 0.898 nan 8.190 nan 0.000 0.480 372 L N 3.256 124.456 121.223 -0.039 0.000 2.388 372 L HA 0.172 4.513 4.340 0.001 0.000 0.209 372 L C 1.134 177.973 176.870 -0.052 0.000 1.061 372 L CA 0.467 55.285 54.840 -0.036 0.000 0.834 372 L CB 0.341 42.386 42.059 -0.024 0.000 1.029 372 L HN 0.792 nan 8.230 nan 0.000 0.473 373 S N -1.492 114.147 115.700 -0.102 0.000 2.648 373 S HA 0.455 4.926 4.470 0.001 0.000 0.305 373 S C 0.314 174.742 174.600 -0.288 0.000 1.094 373 S CA -0.016 58.122 58.200 -0.104 0.000 0.983 373 S CB 1.932 65.061 63.200 -0.118 0.000 1.101 373 S HN 0.132 nan 8.310 nan 0.000 0.514 374 S N -0.862 114.702 115.700 -0.227 0.000 2.900 374 S HA 0.237 4.708 4.470 0.001 0.000 0.253 374 S C 0.619 175.200 174.600 -0.032 0.000 1.029 374 S CA -0.015 57.940 58.200 -0.408 0.000 1.096 374 S CB -0.805 62.267 63.200 -0.213 0.000 1.067 374 S HN 1.025 nan 8.310 nan 0.000 0.610 375 T N 0.404 115.053 114.554 0.158 0.000 2.726 375 T HA 0.533 4.884 4.350 0.001 0.000 0.294 375 T C -0.407 174.543 174.700 0.416 0.000 1.013 375 T CA -0.457 61.812 62.100 0.281 0.000 0.996 375 T CB 0.167 69.212 68.868 0.294 0.000 1.016 375 T HN 0.226 nan 8.240 nan 0.000 0.529 376 F N 1.524 121.577 119.950 0.172 0.000 2.410 376 F HA 0.521 5.049 4.527 0.001 0.000 0.349 376 F C 0.214 176.061 175.800 0.078 0.000 1.117 376 F CA -1.777 56.290 58.000 0.113 0.000 1.104 376 F CB 0.239 39.278 39.000 0.066 0.000 1.122 376 F HN 0.617 nan 8.300 nan 0.000 0.483 377 L N 4.675 125.515 121.223 -0.638 0.000 3.533 377 L HA -0.262 4.078 4.340 0.001 0.000 0.477 377 L C -0.968 175.771 176.870 -0.218 0.000 1.306 377 L CA 0.309 54.783 54.840 -0.610 0.000 0.850 377 L CB -1.572 39.959 42.059 -0.879 0.000 1.654 377 L HN 0.585 nan 8.230 nan 0.000 0.863 378 D N 2.182 122.533 120.400 -0.081 0.000 2.424 378 D HA 0.484 5.125 4.640 0.001 0.000 0.244 378 D C 0.696 177.003 176.300 0.012 0.000 1.134 378 D CA 0.644 54.689 54.000 0.074 0.000 0.881 378 D CB 0.676 41.496 40.800 0.035 0.000 1.191 378 D HN 0.684 nan 8.370 nan 0.000 0.445 379 E N -1.881 118.379 120.200 0.101 0.000 2.437 379 E HA 0.384 4.735 4.350 0.001 0.000 0.280 379 E C -0.884 175.783 176.600 0.111 0.000 1.044 379 E CA -1.148 55.278 56.400 0.044 0.000 0.826 379 E CB 0.807 30.489 29.700 -0.031 0.000 1.358 379 E HN 0.207 nan 8.360 nan 0.000 0.459 380 T N -1.709 112.900 114.554 0.092 0.000 3.626 380 T HA -0.128 4.223 4.350 0.001 0.000 0.393 380 T C -2.126 172.697 174.700 0.205 0.000 0.765 380 T CA 0.447 62.636 62.100 0.148 0.000 2.006 380 T CB -2.063 66.893 68.868 0.146 0.000 1.739 380 T HN 0.475 nan 8.240 nan 0.000 0.720 381 P HA 0.519 nan 4.420 nan 0.000 0.275 381 P C -0.298 177.136 177.300 0.223 0.000 1.227 381 P CA -0.155 63.078 63.100 0.222 0.000 0.781 381 P CB 1.639 33.411 31.700 0.120 0.000 0.906 382 S N 2.782 118.650 115.700 0.281 0.000 2.614 382 S HA 0.452 4.923 4.470 0.001 0.000 0.288 382 S C -0.669 174.113 174.600 0.304 0.000 1.137 382 S CA -0.752 57.621 58.200 0.287 0.000 0.992 382 S CB 0.226 63.640 63.200 0.358 0.000 1.026 382 S HN 0.246 nan 8.310 nan 0.000 0.486 383 L N 4.090 125.404 121.223 0.152 0.000 2.349 383 L HA 0.530 4.871 4.340 0.001 0.000 0.275 383 L C 1.035 177.762 176.870 -0.239 0.000 1.115 383 L CA -0.519 54.320 54.840 -0.003 0.000 0.820 383 L CB 0.898 42.911 42.059 -0.077 0.000 1.135 383 L HN 0.839 nan 8.230 nan 0.000 0.445 384 A N 6.090 128.453 122.820 -0.761 0.000 2.507 384 A HA 0.167 4.488 4.320 0.001 0.000 0.235 384 A C -1.320 175.747 177.584 -0.860 0.000 1.070 384 A CA -0.784 50.295 52.037 -1.597 0.000 0.768 384 A CB -0.301 17.536 19.000 -1.938 0.000 1.011 384 A HN 0.683 nan 8.150 nan 0.000 0.502 385 P HA -0.146 nan 4.420 nan 0.000 0.225 385 P C 0.578 177.490 177.300 -0.646 0.000 1.148 385 P CA 1.456 64.045 63.100 -0.852 0.000 0.779 385 P CB -0.303 30.569 31.700 -1.380 0.000 0.780 386 N N -1.218 117.208 118.700 -0.456 0.000 2.336 386 N HA 0.080 4.821 4.740 0.001 0.000 0.189 386 N C 1.168 176.636 175.510 -0.071 0.000 1.113 386 N CA 0.452 53.441 53.050 -0.102 0.000 0.858 386 N CB -0.419 38.070 38.487 0.005 0.000 0.970 386 N HN 0.002 nan 8.380 nan 0.000 0.471 387 G N 1.101 109.817 108.800 -0.141 0.000 2.155 387 G HA2 -0.363 3.598 3.960 0.001 0.000 0.257 387 G HA3 -0.363 3.598 3.960 0.001 0.000 0.257 387 G C 0.812 175.776 174.900 0.107 0.000 0.983 387 G CA 1.023 46.161 45.100 0.064 0.000 0.676 387 G HN 0.602 nan 8.290 nan 0.000 0.528 388 T N -3.905 110.615 114.554 -0.057 0.000 3.040 388 T HA 0.651 5.002 4.350 0.001 0.000 0.250 388 T C 0.521 175.193 174.700 -0.046 0.000 1.058 388 T CA 1.139 63.217 62.100 -0.036 0.000 0.988 388 T CB 0.447 69.305 68.868 -0.018 0.000 0.993 388 T HN 0.665 nan 8.240 nan 0.000 0.519 389 M N 1.705 121.239 119.600 -0.109 0.000 2.433 389 M HA 0.623 5.104 4.480 0.001 0.000 0.290 389 M C -2.216 174.113 176.300 0.049 0.000 1.173 389 M CA -1.151 54.138 55.300 -0.018 0.000 0.905 389 M CB 2.449 35.000 32.600 -0.081 0.000 1.692 389 M HN -0.083 nan 8.290 nan 0.000 0.462 390 V N 5.288 125.358 119.914 0.260 0.000 2.495 390 V HA 0.582 4.703 4.120 0.001 0.000 0.298 390 V C -0.504 175.908 176.094 0.530 0.000 1.031 390 V CA -0.768 61.746 62.300 0.356 0.000 0.871 390 V CB 1.631 33.629 31.823 0.292 0.000 0.988 390 V HN 0.898 nan 8.190 nan 0.000 0.432 391 I N 6.014 126.934 120.570 0.583 0.000 2.392 391 I HA 0.701 4.872 4.170 0.001 0.000 0.295 391 I C -0.765 175.588 176.117 0.394 0.000 0.985 391 I CA -0.268 61.273 61.300 0.402 0.000 1.221 391 I CB 1.172 39.307 38.000 0.225 0.000 1.366 391 I HN 0.839 nan 8.210 nan 0.000 0.467 392 Y N 3.651 124.030 120.300 0.132 0.000 2.764 392 Y HA 0.654 5.205 4.550 0.001 0.000 0.331 392 Y C -1.328 174.599 175.900 0.044 0.000 1.280 392 Y CA -1.141 57.017 58.100 0.095 0.000 1.065 392 Y CB 0.968 39.485 38.460 0.095 0.000 1.319 392 Y HN 0.371 nan 8.280 nan 0.000 0.453 393 S N 0.809 116.572 115.700 0.106 0.000 2.536 393 S HA 0.874 5.345 4.470 0.001 0.000 0.298 393 S C -0.957 173.676 174.600 0.055 0.000 1.083 393 S CA 0.160 58.331 58.200 -0.049 0.000 0.995 393 S CB 1.080 64.241 63.200 -0.065 0.000 1.058 393 S HN 1.370 nan 8.310 nan 0.000 0.488 394 S N 2.099 117.786 115.700 -0.022 0.000 2.720 394 S HA 0.742 5.213 4.470 0.001 0.000 0.287 394 S C -1.136 173.471 174.600 0.011 0.000 1.168 394 S CA -0.742 57.484 58.200 0.043 0.000 0.832 394 S CB 1.344 64.628 63.200 0.141 0.000 1.166 394 S HN 0.546 nan 8.310 nan 0.000 0.493 395 S N 0.775 116.508 115.700 0.054 0.000 2.437 395 S HA 0.561 5.032 4.470 0.001 0.000 0.305 395 S C -0.956 173.764 174.600 0.199 0.000 1.109 395 S CA -0.554 57.716 58.200 0.118 0.000 1.099 395 S CB 0.999 64.291 63.200 0.153 0.000 1.004 395 S HN 0.647 nan 8.310 nan 0.000 0.475 396 Q N 2.005 121.869 119.800 0.107 0.000 2.310 396 Q HA 0.534 4.875 4.340 0.001 0.000 0.270 396 Q C 0.645 176.673 176.000 0.047 0.000 1.025 396 Q CA 0.006 55.854 55.803 0.074 0.000 0.772 396 Q CB 1.176 29.931 28.738 0.028 0.000 1.253 396 Q HN 0.940 nan 8.270 nan 0.000 0.450 397 G N 3.227 112.046 108.800 0.032 0.000 2.622 397 G HA2 -0.322 3.639 3.960 0.001 0.000 0.307 397 G HA3 -0.322 3.639 3.960 0.001 0.000 0.307 397 G C 0.482 175.403 174.900 0.035 0.000 1.226 397 G CA 0.522 45.629 45.100 0.012 0.000 0.997 397 G HN 0.597 nan 8.290 nan 0.000 0.551 398 M N 2.477 122.091 119.600 0.023 0.000 2.428 398 M HA 0.309 4.790 4.480 0.001 0.000 0.239 398 M C 1.170 177.488 176.300 0.029 0.000 1.121 398 M CA 1.107 56.424 55.300 0.028 0.000 1.019 398 M CB -0.257 32.350 32.600 0.012 0.000 1.485 398 M HN 0.919 nan 8.290 nan 0.000 0.484 399 G N -0.574 108.242 108.800 0.026 0.000 2.642 399 G HA2 0.515 4.476 3.960 0.001 0.000 0.293 399 G HA3 0.515 4.476 3.960 0.001 0.000 0.293 399 G C -1.072 173.834 174.900 0.010 0.000 1.341 399 G CA -0.379 44.728 45.100 0.013 0.000 0.916 399 G HN 0.086 nan 8.290 nan 0.000 0.474 400 S N -0.811 114.884 115.700 -0.007 0.000 2.565 400 S HA 0.534 5.004 4.470 0.001 0.000 0.276 400 S C 0.528 175.104 174.600 -0.040 0.000 1.326 400 S CA -0.295 57.888 58.200 -0.028 0.000 1.045 400 S CB 1.136 64.306 63.200 -0.050 0.000 0.918 400 S HN 1.269 nan 8.310 nan 0.000 0.505 401 V N 1.381 121.259 119.914 -0.059 0.000 3.158 401 V HA 0.679 4.800 4.120 0.001 0.000 0.311 401 V C -0.956 175.055 176.094 -0.140 0.000 1.181 401 V CA -1.184 61.061 62.300 -0.091 0.000 1.054 401 V CB 1.328 33.102 31.823 -0.081 0.000 1.085 401 V HN 0.703 nan 8.190 nan 0.000 0.446 402 L N 2.024 123.138 121.223 -0.181 0.000 2.322 402 L HA 0.635 4.976 4.340 0.001 0.000 0.279 402 L C -0.219 176.475 176.870 -0.294 0.000 1.036 402 L CA -0.443 54.254 54.840 -0.238 0.000 0.807 402 L CB 1.507 43.419 42.059 -0.246 0.000 1.226 402 L HN 0.781 nan 8.230 nan 0.000 0.433 403 N N 3.093 121.511 118.700 -0.472 0.000 2.321 403 N HA 0.671 5.411 4.740 0.001 0.000 0.290 403 N C -1.373 173.928 175.510 -0.348 0.000 1.212 403 N CA -0.623 52.107 53.050 -0.533 0.000 0.767 403 N CB 3.034 40.915 38.487 -1.010 0.000 1.494 403 N HN 0.314 nan 8.380 nan 0.000 0.479 404 L N 1.020 122.215 121.223 -0.047 0.000 2.365 404 L HA 0.659 4.999 4.340 0.001 0.000 0.273 404 L C -0.699 176.376 176.870 0.342 0.000 1.000 404 L CA -0.879 54.102 54.840 0.235 0.000 0.819 404 L CB 2.286 44.544 42.059 0.330 0.000 1.284 404 L HN 0.164 nan 8.230 nan 0.000 0.418 405 V N 1.821 122.004 119.914 0.448 0.000 2.808 405 V HA 0.523 4.644 4.120 0.001 0.000 0.308 405 V C -0.127 176.168 176.094 0.335 0.000 1.099 405 V CA -0.400 62.125 62.300 0.376 0.000 0.920 405 V CB 2.640 34.653 31.823 0.316 0.000 1.014 405 V HN 0.893 nan 8.190 nan 0.000 0.425 406 S N 3.186 119.086 115.700 0.334 0.000 2.593 406 S HA 0.131 4.601 4.470 0.001 0.000 0.269 406 S C 1.290 175.961 174.600 0.118 0.000 1.334 406 S CA 0.311 58.638 58.200 0.211 0.000 1.015 406 S CB 1.169 64.487 63.200 0.197 0.000 0.912 406 S HN 1.262 nan 8.310 nan 0.000 0.541 407 T N -2.086 112.500 114.554 0.052 0.000 3.072 407 T HA -0.068 4.283 4.350 0.001 0.000 0.266 407 T C 0.839 175.499 174.700 -0.068 0.000 1.127 407 T CA 0.943 63.031 62.100 -0.019 0.000 1.107 407 T CB -0.680 68.134 68.868 -0.090 0.000 0.910 407 T HN 0.809 nan 8.240 nan 0.000 0.513 408 D N 0.632 121.014 120.400 -0.029 0.000 2.339 408 D HA 0.240 4.881 4.640 0.001 0.000 0.217 408 D C 1.709 178.014 176.300 0.007 0.000 1.050 408 D CA 0.453 54.435 54.000 -0.029 0.000 0.856 408 D CB -0.735 40.049 40.800 -0.027 0.000 0.922 408 D HN 0.495 nan 8.370 nan 0.000 0.518 409 G N 0.745 109.570 108.800 0.041 0.000 2.184 409 G HA2 -0.413 3.548 3.960 0.001 0.000 0.264 409 G HA3 -0.413 3.548 3.960 0.001 0.000 0.264 409 G C 1.333 176.276 174.900 0.071 0.000 0.975 409 G CA 0.398 45.528 45.100 0.050 0.000 0.642 409 G HN 0.431 nan 8.290 nan 0.000 0.536 410 R N -1.128 119.429 120.500 0.096 0.000 2.127 410 R HA 0.237 4.578 4.340 0.001 0.000 0.217 410 R C 0.947 177.344 176.300 0.162 0.000 1.074 410 R CA 0.773 56.937 56.100 0.107 0.000 0.991 410 R CB 0.134 30.494 30.300 0.100 0.000 0.895 410 R HN 0.442 nan 8.270 nan 0.000 0.450 411 F N 1.892 121.877 119.950 0.058 0.000 2.415 411 F HA 0.342 4.869 4.527 0.000 0.000 0.348 411 F C -0.743 175.114 175.800 0.095 0.000 1.119 411 F CA -0.579 57.469 58.000 0.079 0.000 1.069 411 F CB 0.934 39.993 39.000 0.098 0.000 1.124 411 F HN -0.367 nan 8.300 nan 0.000 0.472 412 K N 5.440 125.539 120.400 -0.502 0.000 2.443 412 K HA 0.846 5.167 4.320 0.001 0.000 0.252 412 K C -1.323 174.974 176.600 -0.506 0.000 0.933 412 K CA -0.934 55.171 56.287 -0.304 0.000 0.792 412 K CB 2.098 34.529 32.500 -0.116 0.000 1.185 412 K HN 0.713 nan 8.250 nan 0.000 0.425 413 A N 2.670 125.339 122.820 -0.252 0.000 2.567 413 A HA 0.792 5.113 4.320 0.001 0.000 0.289 413 A C -1.350 176.193 177.584 -0.069 0.000 1.177 413 A CA -0.859 51.078 52.037 -0.167 0.000 0.694 413 A CB 1.526 20.491 19.000 -0.059 0.000 1.292 413 A HN 0.699 nan 8.150 nan 0.000 0.425 414 R N -1.198 119.264 120.500 -0.064 0.000 2.836 414 R HA 0.653 4.994 4.340 0.001 0.000 0.269 414 R C -1.787 174.457 176.300 -0.094 0.000 1.010 414 R CA -0.744 55.299 56.100 -0.094 0.000 0.930 414 R CB 1.696 31.939 30.300 -0.095 0.000 1.218 414 R HN 0.419 nan 8.270 nan 0.000 0.473 415 L N 2.735 123.873 121.223 -0.142 0.000 2.581 415 L HA 0.344 4.684 4.340 0.001 0.000 0.241 415 L C -2.203 174.554 176.870 -0.189 0.000 1.265 415 L CA -1.482 53.253 54.840 -0.176 0.000 0.954 415 L CB 1.009 42.923 42.059 -0.242 0.000 1.269 415 L HN 0.279 nan 8.230 nan 0.000 0.475 416 P HA 0.163 nan 4.420 nan 0.000 0.268 416 P C -0.457 176.760 177.300 -0.138 0.000 1.205 416 P CA 0.011 63.036 63.100 -0.125 0.000 0.771 416 P CB 1.420 33.063 31.700 -0.093 0.000 0.858 417 A N 2.373 125.120 122.820 -0.121 0.000 2.320 417 A HA 0.518 4.839 4.320 0.001 0.000 0.334 417 A C 1.463 179.001 177.584 -0.076 0.000 1.147 417 A CA -0.118 51.855 52.037 -0.106 0.000 0.820 417 A CB 0.410 19.354 19.000 -0.094 0.000 1.218 417 A HN 0.582 nan 8.150 nan 0.000 0.482 418 T N -1.279 113.235 114.554 -0.067 0.000 2.857 418 T HA 0.051 4.402 4.350 0.001 0.000 0.266 418 T C 0.084 174.759 174.700 -0.042 0.000 1.048 418 T CA 1.374 63.442 62.100 -0.053 0.000 1.139 418 T CB -0.189 68.650 68.868 -0.049 0.000 0.874 418 T HN 0.553 nan 8.240 nan 0.000 0.455 419 D N 0.363 120.740 120.400 -0.039 0.000 2.896 419 D HA 0.558 5.199 4.640 0.001 0.000 0.241 419 D C 0.190 176.473 176.300 -0.028 0.000 1.188 419 D CA 0.404 54.385 54.000 -0.032 0.000 0.879 419 D CB 1.726 42.509 40.800 -0.027 0.000 1.553 419 D HN 0.605 nan 8.370 nan 0.000 0.515 420 G N 1.628 110.410 108.800 -0.030 0.000 2.663 420 G HA2 -0.144 3.817 3.960 0.001 0.000 0.686 420 G HA3 -0.144 3.817 3.960 0.001 0.000 0.686 420 G C -0.671 174.215 174.900 -0.022 0.000 1.246 420 G CA -0.957 44.127 45.100 -0.027 0.000 0.795 420 G HN 0.439 nan 8.290 nan 0.000 0.627 421 Q N -1.125 118.666 119.800 -0.015 0.000 2.340 421 Q HA 0.507 4.848 4.340 0.001 0.000 0.249 421 Q C 0.587 176.594 176.000 0.013 0.000 0.957 421 Q CA -0.024 55.775 55.803 -0.007 0.000 0.882 421 Q CB 1.959 30.699 28.738 0.003 0.000 1.235 421 Q HN 1.512 nan 8.270 nan 0.000 0.439 422 V N -0.750 119.161 119.914 -0.006 0.000 2.531 422 V HA 0.780 4.901 4.120 0.001 0.000 0.301 422 V C -0.814 175.280 176.094 0.000 0.000 1.034 422 V CA -0.712 61.594 62.300 0.010 0.000 0.865 422 V CB 1.469 33.239 31.823 -0.088 0.000 0.995 422 V HN 0.906 nan 8.190 nan 0.000 0.424 423 K N 2.745 123.189 120.400 0.072 0.000 2.428 423 K HA 0.714 5.034 4.320 0.001 0.000 0.279 423 K C -0.634 176.065 176.600 0.165 0.000 1.041 423 K CA -0.972 55.316 56.287 0.002 0.000 0.887 423 K CB 0.785 33.197 32.500 -0.147 0.000 1.535 423 K HN 0.602 nan 8.250 nan 0.000 0.417 424 F N 0.161 120.177 119.950 0.109 0.000 3.004 424 F HA -0.139 4.389 4.527 0.002 0.000 0.264 424 F C -2.048 173.841 175.800 0.148 0.000 0.979 424 F CA 0.386 58.460 58.000 0.124 0.000 0.896 424 F CB -1.815 37.251 39.000 0.111 0.000 0.813 424 F HN 0.404 nan 8.300 nan 0.000 0.804 425 P HA 0.487 nan 4.420 nan 0.000 0.275 425 P C -0.496 176.983 177.300 0.299 0.000 1.228 425 P CA 0.093 63.350 63.100 0.262 0.000 0.786 425 P CB 1.782 33.574 31.700 0.152 0.000 0.927 426 A N 3.216 126.239 122.820 0.338 0.000 2.408 426 A HA 0.426 4.747 4.320 0.001 0.000 0.295 426 A C -1.353 176.570 177.584 0.566 0.000 1.040 426 A CA -0.626 51.678 52.037 0.445 0.000 0.707 426 A CB 0.997 20.256 19.000 0.432 0.000 1.235 426 A HN 0.513 nan 8.150 nan 0.000 0.418 427 W N 3.623 125.101 121.300 0.296 0.000 2.316 427 W HA 0.431 5.092 4.660 0.001 0.000 0.311 427 W C 0.742 177.129 176.519 -0.220 0.000 1.217 427 W CA 0.031 57.429 57.345 0.090 0.000 1.199 427 W CB 1.793 31.259 29.460 0.011 0.000 1.202 427 W HN 0.906 nan 8.180 nan 0.000 0.528 428 S N 6.956 122.450 115.700 -0.343 0.000 2.589 428 S HA 0.353 4.824 4.470 0.001 0.000 0.265 428 S C -2.045 172.283 174.600 -0.454 0.000 1.342 428 S CA -1.016 56.455 58.200 -1.215 0.000 1.005 428 S CB 1.093 63.361 63.200 -1.554 0.000 0.909 428 S HN 0.337 nan 8.310 nan 0.000 0.555 429 P HA 0.116 nan 4.420 nan 0.000 0.274 429 P C -0.454 176.714 177.300 -0.220 0.000 1.260 429 P CA -0.342 62.597 63.100 -0.267 0.000 0.793 429 P CB 0.059 31.682 31.700 -0.129 0.000 1.048 430 Y N -0.135 120.093 120.300 -0.119 0.000 2.757 430 Y HA 0.219 4.770 4.550 0.001 0.000 0.344 430 Y C 1.150 177.013 175.900 -0.061 0.000 1.263 430 Y CA 1.348 59.391 58.100 -0.096 0.000 1.493 430 Y CB -0.436 37.974 38.460 -0.083 0.000 1.342 430 Y HN 0.242 nan 8.280 nan 0.000 0.627 438 H N 0.000 118.743 119.070 -0.545 0.000 2.539 438 H HA 0.000 4.557 4.556 0.001 0.000 0.296 438 H CA 0.000 55.851 56.048 -0.329 0.000 1.023 438 H CB 0.000 29.628 29.762 -0.224 0.000 1.292 438 H HN 0.000 nan 8.280 nan 0.000 0.496