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 2gse_1_C DATA FIRST_RESID 15 DATA SEQUENCE DRLLIKGGKI VNDDQSFYAD IYMEDGLIKQ IGENLIVPGG VKTIEAHSRM DATA SEQUENCE VIPGGIDVHT RFQMPDQGMT SADDFFQGTK AALAGGTTMI IDHVVPEPGT DATA SEQUENCE SLLAAFDQWR EWADSKSCCD YSLHVDISEW HKGIQEEMEA LVKDHGVNSF DATA SEQUENCE LVYMAFKDRF QLTDCQIYEV LSVIRDIGAI AQVHAENGDI IAEEQQRILD DATA SEQUENCE LGITGPEGHV LSRPEEVEAE AVNRAITIAN QTNCPLYITK VMSKSSAEVI DATA SEQUENCE AQARKKGTVV YGEPITASLG TDGSHYWSKN WAKAAAFVTS PPLSPDPTTP DATA SEQUENCE DFLNSLLSCG DLQVTGSAHC TFNTAQKAVG KDNFTLIPEG TNGTEERMSV DATA SEQUENCE IWDKAVVTGK MDENQFVAVT STNAAKVFNL YPRKGRIAVG SDADLVIWDP DATA SEQUENCE DSVKTISAKT HNSSLEYNIF EGMECRGSPL VVISQGKIVL EDGTLHVTEG DATA SEQUENCE SGRYIPRKPF PDFVYKRIKA RSRLA 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 15 D HA 0.000 nan 4.640 nan 0.000 0.175 15 D C 0.000 176.271 176.300 -0.049 0.000 2.045 15 D CA 0.000 53.984 54.000 -0.026 0.000 0.868 15 D CB 0.000 40.790 40.800 -0.016 0.000 0.688 16 R N 0.537 121.020 120.500 -0.028 0.000 2.577 16 R HA 0.808 5.148 4.340 0.000 0.000 0.269 16 R C -0.817 175.460 176.300 -0.037 0.000 1.084 16 R CA -0.693 55.380 56.100 -0.046 0.000 1.163 16 R CB 0.654 31.001 30.300 0.079 0.000 1.100 16 R HN 0.363 nan 8.270 nan 0.000 0.547 17 L N 1.320 122.503 121.223 -0.067 0.000 2.703 17 L HA 0.373 4.713 4.340 0.000 0.000 0.257 17 L C -2.226 174.677 176.870 0.055 0.000 0.923 17 L CA -0.538 54.294 54.840 -0.014 0.000 0.936 17 L CB 1.991 44.020 42.059 -0.051 0.000 1.482 17 L HN 0.495 nan 8.230 nan 0.000 0.432 18 L N 5.248 126.543 121.223 0.119 0.000 2.406 18 L HA 0.713 5.053 4.340 0.000 0.000 0.272 18 L C -1.393 175.517 176.870 0.065 0.000 0.980 18 L CA -0.100 54.838 54.840 0.163 0.000 0.831 18 L CB 1.591 43.756 42.059 0.177 0.000 1.253 18 L HN 0.523 nan 8.230 nan 0.000 0.406 19 I N 4.819 125.417 120.570 0.045 0.000 2.354 19 I HA 0.414 4.584 4.170 0.000 0.000 0.292 19 I C -0.205 175.915 176.117 0.004 0.000 0.989 19 I CA -0.651 60.653 61.300 0.006 0.000 1.188 19 I CB 1.309 39.304 38.000 -0.007 0.000 1.342 19 I HN 0.532 nan 8.210 nan 0.000 0.457 20 K N 3.672 124.058 120.400 -0.024 0.000 2.207 20 K HA 0.543 4.863 4.320 0.000 0.000 0.255 20 K C 0.545 177.119 176.600 -0.043 0.000 0.941 20 K CA -0.485 55.788 56.287 -0.024 0.000 0.825 20 K CB 1.881 34.363 32.500 -0.030 0.000 1.119 20 K HN 0.876 nan 8.250 nan 0.000 0.430 21 G N 1.417 110.214 108.800 -0.004 0.000 2.176 21 G HA2 -0.232 3.728 3.960 0.000 0.000 0.252 21 G HA3 -0.232 3.728 3.960 0.000 0.000 0.252 21 G C 0.296 175.229 174.900 0.056 0.000 1.024 21 G CA 0.076 45.184 45.100 0.013 0.000 0.755 21 G HN 0.821 nan 8.290 nan 0.000 0.507 22 G N -0.952 107.880 108.800 0.055 0.000 2.488 22 G HA2 0.601 4.561 3.960 0.000 0.000 0.318 22 G HA3 0.601 4.561 3.960 0.000 0.000 0.318 22 G C -0.200 174.753 174.900 0.089 0.000 1.188 22 G CA -0.308 44.829 45.100 0.063 0.000 0.944 22 G HN 0.461 nan 8.290 nan 0.000 0.495 23 K N 1.042 121.436 120.400 -0.010 0.000 2.334 23 K HA 0.360 4.680 4.320 0.000 0.000 0.265 23 K C -0.137 176.272 176.600 -0.318 0.000 1.039 23 K CA -0.523 55.575 56.287 -0.315 0.000 0.920 23 K CB 0.433 32.695 32.500 -0.396 0.000 1.160 23 K HN 0.346 nan 8.250 nan 0.000 0.451 24 I N 4.514 124.787 120.570 -0.494 0.000 2.587 24 I HA 0.002 4.172 4.170 0.000 0.000 0.284 24 I C -0.282 175.638 176.117 -0.328 0.000 1.134 24 I CA -0.376 60.631 61.300 -0.488 0.000 1.410 24 I CB 1.010 38.507 38.000 -0.839 0.000 1.392 24 I HN 0.244 nan 8.210 nan 0.000 0.545 25 V N 7.296 127.125 119.914 -0.142 0.000 2.313 25 V HA 0.297 4.417 4.120 0.000 0.000 0.278 25 V C 0.172 176.279 176.094 0.022 0.000 1.017 25 V CA -0.732 61.552 62.300 -0.026 0.000 0.823 25 V CB 0.727 32.557 31.823 0.013 0.000 1.010 25 V HN 0.656 nan 8.190 nan 0.000 0.443 26 N N 2.974 121.721 118.700 0.079 0.000 2.491 26 N HA 0.220 4.960 4.740 0.000 0.000 0.279 26 N C 1.055 176.616 175.510 0.085 0.000 1.236 26 N CA -0.460 52.647 53.050 0.096 0.000 0.982 26 N CB 1.063 39.641 38.487 0.151 0.000 1.194 26 N HN 0.741 nan 8.380 nan 0.000 0.582 27 D N -0.746 119.697 120.400 0.071 0.000 2.312 27 D HA -0.146 4.494 4.640 0.000 0.000 0.211 27 D C 0.437 176.768 176.300 0.051 0.000 0.964 27 D CA 0.931 54.959 54.000 0.046 0.000 0.877 27 D CB 0.045 40.850 40.800 0.008 0.000 0.924 27 D HN 0.617 nan 8.370 nan 0.000 0.515 28 D N -0.225 120.216 120.400 0.068 0.000 2.388 28 D HA -0.036 4.604 4.640 0.000 0.000 0.208 28 D C 0.750 177.088 176.300 0.064 0.000 1.035 28 D CA 0.250 54.285 54.000 0.058 0.000 0.875 28 D CB 0.291 41.125 40.800 0.057 0.000 0.984 28 D HN 0.545 nan 8.370 nan 0.000 0.508 29 Q N -1.394 118.464 119.800 0.096 0.000 2.776 29 Q HA 0.502 4.843 4.340 0.000 0.000 0.289 29 Q C -1.834 174.276 176.000 0.183 0.000 0.912 29 Q CA -0.931 54.941 55.803 0.114 0.000 0.789 29 Q CB 0.878 29.669 28.738 0.088 0.000 1.498 29 Q HN -0.134 nan 8.270 nan 0.000 0.408 30 S N 0.922 116.723 115.700 0.170 0.000 2.513 30 S HA 0.951 5.421 4.470 0.000 0.000 0.299 30 S C -1.307 173.414 174.600 0.202 0.000 1.087 30 S CA -0.600 57.673 58.200 0.122 0.000 1.012 30 S CB 0.740 63.940 63.200 0.000 0.000 1.044 30 S HN 0.594 nan 8.310 nan 0.000 0.485 31 F N -0.782 119.057 119.950 -0.185 0.000 2.688 31 F HA 0.572 5.099 4.527 -0.000 0.000 0.308 31 F C -2.083 173.584 175.800 -0.223 0.000 1.117 31 F CA -1.605 56.287 58.000 -0.180 0.000 0.976 31 F CB 0.321 39.297 39.000 -0.040 0.000 1.291 31 F HN 0.417 nan 8.300 nan 0.000 0.439 32 Y N 2.205 122.561 120.300 0.094 0.000 2.393 32 Y HA 0.706 5.256 4.550 -0.000 0.000 0.338 32 Y C 0.487 176.409 175.900 0.036 0.000 1.029 32 Y CA 0.211 58.312 58.100 0.001 0.000 1.239 32 Y CB 0.895 39.381 38.460 0.043 0.000 1.170 32 Y HN 1.039 nan 8.280 nan 0.000 0.515 33 A N 2.265 125.124 122.820 0.064 0.000 2.601 33 A HA 0.561 4.881 4.320 0.000 0.000 0.291 33 A C -1.607 175.993 177.584 0.027 0.000 1.075 33 A CA -1.125 50.960 52.037 0.080 0.000 0.671 33 A CB 1.159 20.237 19.000 0.130 0.000 1.277 33 A HN 0.509 nan 8.150 nan 0.000 0.417 34 D N 0.422 120.853 120.400 0.051 0.000 2.283 34 D HA 0.579 5.219 4.640 0.000 0.000 0.248 34 D C -0.452 175.878 176.300 0.050 0.000 1.072 34 D CA 0.384 54.408 54.000 0.041 0.000 0.929 34 D CB 1.190 42.018 40.800 0.047 0.000 1.182 34 D HN 0.423 nan 8.370 nan 0.000 0.433 35 I N 1.687 122.286 120.570 0.048 0.000 2.389 35 I HA 0.195 4.365 4.170 0.000 0.000 0.288 35 I C -1.013 175.174 176.117 0.117 0.000 0.999 35 I CA -1.043 60.292 61.300 0.058 0.000 1.129 35 I CB 1.254 39.257 38.000 0.006 0.000 1.288 35 I HN 0.213 nan 8.210 nan 0.000 0.444 36 Y N 7.561 127.862 120.300 0.001 0.000 2.335 36 Y HA 0.698 5.248 4.550 -0.000 0.000 0.338 36 Y C -0.892 175.009 175.900 0.000 0.000 0.977 36 Y CA -0.883 57.218 58.100 0.001 0.000 1.114 36 Y CB 1.470 39.933 38.460 0.004 0.000 1.182 36 Y HN 0.506 nan 8.280 nan 0.000 0.463 37 M N 4.951 124.159 119.600 -0.653 0.000 2.528 37 M HA 0.492 4.973 4.480 0.000 0.000 0.321 37 M C -1.137 174.732 176.300 -0.719 0.000 1.153 37 M CA -0.478 54.512 55.300 -0.516 0.000 0.951 37 M CB 2.354 34.802 32.600 -0.254 0.000 1.705 37 M HN 0.705 nan 8.290 nan 0.000 0.451 38 E N 0.470 120.424 120.200 -0.410 0.000 2.380 38 E HA 0.155 4.505 4.350 0.000 0.000 0.281 38 E C -1.449 175.070 176.600 -0.135 0.000 0.999 38 E CA -0.416 55.822 56.400 -0.269 0.000 0.800 38 E CB 1.371 30.932 29.700 -0.232 0.000 1.228 38 E HN 0.787 nan 8.360 nan 0.000 0.436 39 D N 2.156 122.505 120.400 -0.084 0.000 2.792 39 D HA -0.225 4.415 4.640 0.000 0.000 0.231 39 D C 0.691 176.961 176.300 -0.050 0.000 1.160 39 D CA 1.736 55.706 54.000 -0.050 0.000 0.697 39 D CB -1.436 39.343 40.800 -0.034 0.000 1.070 39 D HN 0.968 nan 8.370 nan 0.000 0.426 40 G N -1.214 107.549 108.800 -0.062 0.000 2.155 40 G HA2 -0.302 3.658 3.960 0.000 0.000 0.257 40 G HA3 -0.302 3.658 3.960 0.000 0.000 0.257 40 G C 0.198 175.064 174.900 -0.057 0.000 0.983 40 G CA 0.653 45.723 45.100 -0.051 0.000 0.676 40 G HN 0.508 nan 8.290 nan 0.000 0.528 41 L N -0.369 120.810 121.223 -0.073 0.000 2.388 41 L HA 0.628 4.968 4.340 0.000 0.000 0.264 41 L C 0.400 177.220 176.870 -0.083 0.000 0.998 41 L CA -1.333 53.467 54.840 -0.066 0.000 0.817 41 L CB 2.105 44.133 42.059 -0.051 0.000 1.338 41 L HN -0.019 nan 8.230 nan 0.000 0.414 42 I N 2.981 123.513 120.570 -0.062 0.000 2.363 42 I HA 0.101 4.271 4.170 0.000 0.000 0.292 42 I C 0.858 176.960 176.117 -0.026 0.000 1.075 42 I CA -0.105 61.163 61.300 -0.054 0.000 1.333 42 I CB 0.668 38.650 38.000 -0.029 0.000 1.415 42 I HN 0.590 nan 8.210 nan 0.000 0.502 43 K N 4.490 124.876 120.400 -0.023 0.000 2.242 43 K HA 0.221 4.541 4.320 0.000 0.000 0.200 43 K C 0.275 176.943 176.600 0.112 0.000 1.050 43 K CA 0.741 57.055 56.287 0.045 0.000 0.981 43 K CB 0.306 32.847 32.500 0.068 0.000 0.795 43 K HN 0.573 nan 8.250 nan 0.000 0.477 44 Q N -0.020 119.874 119.800 0.156 0.000 2.315 44 Q HA 0.506 4.846 4.340 0.000 0.000 0.273 44 Q C -1.307 174.773 176.000 0.134 0.000 1.053 44 Q CA -0.310 55.588 55.803 0.158 0.000 0.817 44 Q CB 2.739 31.601 28.738 0.207 0.000 1.326 44 Q HN 0.002 nan 8.270 nan 0.000 0.423 45 I N 1.655 122.293 120.570 0.114 0.000 2.512 45 I HA 0.815 4.985 4.170 0.000 0.000 0.287 45 I C 0.163 176.362 176.117 0.136 0.000 1.069 45 I CA -0.554 60.823 61.300 0.129 0.000 1.056 45 I CB 1.958 40.056 38.000 0.163 0.000 1.229 45 I HN 0.820 nan 8.210 nan 0.000 0.429 46 G N 4.892 113.770 108.800 0.130 0.000 2.368 46 G HA2 0.146 4.106 3.960 0.000 0.000 0.269 46 G HA3 0.146 4.106 3.960 0.000 0.000 0.269 46 G C -1.981 172.974 174.900 0.092 0.000 1.291 46 G CA -0.667 44.506 45.100 0.122 0.000 0.903 46 G HN 0.524 nan 8.290 nan 0.000 0.483 47 E N -0.045 120.198 120.200 0.073 0.000 2.212 47 E HA 0.546 4.896 4.350 0.000 0.000 0.268 47 E C -0.380 176.236 176.600 0.028 0.000 0.902 47 E CA -0.571 55.860 56.400 0.052 0.000 0.779 47 E CB 0.997 30.732 29.700 0.057 0.000 1.172 47 E HN 0.580 nan 8.360 nan 0.000 0.409 48 N N 1.863 120.571 118.700 0.013 0.000 2.708 48 N HA -0.202 4.538 4.740 0.000 0.000 0.255 48 N C -0.879 174.620 175.510 -0.019 0.000 1.046 48 N CA 0.090 53.137 53.050 -0.004 0.000 0.715 48 N CB -1.108 37.378 38.487 -0.002 0.000 0.895 48 N HN 0.390 nan 8.380 nan 0.000 0.545 49 L N 0.217 121.422 121.223 -0.029 0.000 2.467 49 L HA 0.149 4.489 4.340 0.000 0.000 0.270 49 L C 0.967 177.769 176.870 -0.113 0.000 1.205 49 L CA -0.286 54.519 54.840 -0.059 0.000 0.828 49 L CB 0.269 42.293 42.059 -0.059 0.000 1.101 49 L HN 0.187 nan 8.230 nan 0.000 0.479 50 I N 3.018 123.513 120.570 -0.125 0.000 2.270 50 I HA 0.047 4.217 4.170 0.000 0.000 0.300 50 I C -0.041 175.911 176.117 -0.275 0.000 1.186 50 I CA 0.462 61.677 61.300 -0.143 0.000 1.431 50 I CB -0.299 37.649 38.000 -0.087 0.000 1.485 50 I HN 0.125 nan 8.210 nan 0.000 0.650 51 V N 6.296 126.025 119.914 -0.309 0.000 2.547 51 V HA 0.490 4.610 4.120 0.000 0.000 0.299 51 V C -1.460 174.500 176.094 -0.224 0.000 1.040 51 V CA -1.655 60.372 62.300 -0.454 0.000 0.913 51 V CB 0.978 32.550 31.823 -0.418 0.000 0.992 51 V HN 0.439 nan 8.190 nan 0.000 0.449 52 P HA 0.073 nan 4.420 nan 0.000 0.273 52 P C 1.119 178.393 177.300 -0.043 0.000 1.248 52 P CA 0.439 63.501 63.100 -0.064 0.000 0.817 52 P CB 0.288 31.983 31.700 -0.008 0.000 0.995 53 G N -0.690 108.098 108.800 -0.020 0.000 2.395 53 G HA2 0.022 3.982 3.960 0.000 0.000 0.214 53 G HA3 0.022 3.982 3.960 0.000 0.000 0.214 53 G C 1.017 175.916 174.900 -0.002 0.000 1.177 53 G CA 0.608 45.700 45.100 -0.013 0.000 0.794 53 G HN 0.681 nan 8.290 nan 0.000 0.532 54 G N 0.228 109.033 108.800 0.008 0.000 3.959 54 G HA2 0.439 4.399 3.960 0.000 0.000 0.298 54 G HA3 0.439 4.399 3.960 0.000 0.000 0.298 54 G C -0.446 174.470 174.900 0.028 0.000 1.211 54 G CA -0.215 44.894 45.100 0.015 0.000 1.001 54 G HN 0.210 nan 8.290 nan 0.000 0.561 55 V N 0.764 120.701 119.914 0.039 0.000 2.546 55 V HA 0.224 4.344 4.120 0.000 0.000 0.284 55 V C 0.643 176.772 176.094 0.058 0.000 1.050 55 V CA -1.086 61.258 62.300 0.073 0.000 0.981 55 V CB 1.473 33.380 31.823 0.139 0.000 0.990 55 V HN 0.382 nan 8.190 nan 0.000 0.474 56 K N 3.733 124.164 120.400 0.051 0.000 2.511 56 K HA 0.065 4.385 4.320 0.000 0.000 0.280 56 K C -0.233 176.393 176.600 0.044 0.000 1.008 56 K CA 0.911 57.218 56.287 0.034 0.000 1.050 56 K CB 0.020 32.533 32.500 0.020 0.000 0.889 56 K HN 0.837 nan 8.250 nan 0.000 0.484 57 T N 5.455 120.026 114.554 0.029 0.000 2.921 57 T HA 0.481 4.831 4.350 0.000 0.000 0.297 57 T C -0.519 174.185 174.700 0.007 0.000 1.013 57 T CA -0.621 61.495 62.100 0.026 0.000 0.990 57 T CB 0.538 69.418 68.868 0.021 0.000 1.023 57 T HN 0.476 nan 8.240 nan 0.000 0.447 58 I N 2.685 123.251 120.570 -0.005 0.000 2.378 58 I HA 0.323 4.493 4.170 0.000 0.000 0.291 58 I C 0.074 176.140 176.117 -0.085 0.000 0.992 58 I CA -0.981 60.300 61.300 -0.031 0.000 1.154 58 I CB 1.545 39.532 38.000 -0.022 0.000 1.315 58 I HN 0.410 nan 8.210 nan 0.000 0.448 59 E N 4.999 125.105 120.200 -0.156 0.000 2.223 59 E HA 0.213 4.563 4.350 0.000 0.000 0.282 59 E C 0.453 176.713 176.600 -0.565 0.000 1.046 59 E CA -0.134 56.042 56.400 -0.373 0.000 0.857 59 E CB 1.781 31.201 29.700 -0.467 0.000 1.055 59 E HN 0.745 nan 8.360 nan 0.000 0.409 60 A N 2.919 125.512 122.820 -0.378 0.000 2.081 60 A HA -0.020 4.300 4.320 0.000 0.000 0.214 60 A C 0.175 177.685 177.584 -0.123 0.000 1.158 60 A CA 0.326 52.243 52.037 -0.200 0.000 0.724 60 A CB -0.537 18.423 19.000 -0.067 0.000 0.826 60 A HN 0.918 nan 8.150 nan 0.000 0.463 61 H N -1.031 118.056 119.070 0.029 0.000 2.756 61 H HA -0.157 4.399 4.556 -0.000 0.000 0.315 61 H C 0.970 176.324 175.328 0.043 0.000 1.210 61 H CA 0.256 56.318 56.048 0.023 0.000 1.150 61 H CB -2.151 27.618 29.762 0.012 0.000 1.463 61 H HN 0.449 nan 8.280 nan 0.000 0.427 62 S N -2.705 113.077 115.700 0.138 0.000 2.981 62 S HA -0.293 4.177 4.470 0.000 0.000 0.274 62 S C 1.215 175.947 174.600 0.220 0.000 1.297 62 S CA 1.386 59.707 58.200 0.202 0.000 1.266 62 S CB -0.440 62.842 63.200 0.136 0.000 1.542 62 S HN 0.598 nan 8.310 nan 0.000 0.674 63 R N 0.802 121.387 120.500 0.142 0.000 2.861 63 R HA 0.327 4.667 4.340 0.000 0.000 0.268 63 R C 0.718 177.063 176.300 0.074 0.000 1.027 63 R CA 0.634 56.794 56.100 0.100 0.000 1.163 63 R CB 0.091 30.434 30.300 0.071 0.000 1.060 63 R HN 0.436 nan 8.270 nan 0.000 0.483 64 M N 1.199 120.838 119.600 0.065 0.000 2.219 64 M HA 0.145 4.625 4.480 0.000 0.000 0.353 64 M C -0.713 175.607 176.300 0.034 0.000 1.304 64 M CA 0.137 55.460 55.300 0.037 0.000 1.115 64 M CB 0.867 33.507 32.600 0.066 0.000 1.664 64 M HN 0.081 nan 8.290 nan 0.000 0.459 65 V N 5.973 125.874 119.914 -0.022 0.000 2.378 65 V HA 0.544 4.664 4.120 0.000 0.000 0.288 65 V C -0.270 175.800 176.094 -0.040 0.000 1.016 65 V CA -0.697 61.589 62.300 -0.023 0.000 0.840 65 V CB 1.084 32.874 31.823 -0.054 0.000 0.994 65 V HN 0.784 nan 8.190 nan 0.000 0.431 66 I N 2.839 123.402 120.570 -0.012 0.000 2.740 66 I HA 0.776 4.946 4.170 0.000 0.000 0.303 66 I C -2.760 173.344 176.117 -0.021 0.000 1.044 66 I CA -2.984 58.301 61.300 -0.025 0.000 1.064 66 I CB 2.290 40.261 38.000 -0.047 0.000 1.249 66 I HN 0.308 nan 8.210 nan 0.000 0.433 67 P HA 0.100 nan 4.420 nan 0.000 0.266 67 P C 0.091 177.372 177.300 -0.032 0.000 1.193 67 P CA 0.130 63.216 63.100 -0.024 0.000 0.770 67 P CB 0.360 32.048 31.700 -0.020 0.000 0.836 68 G N 1.947 110.737 108.800 -0.016 0.000 2.544 68 G HA2 0.404 4.364 3.960 0.000 0.000 0.242 68 G HA3 0.404 4.364 3.960 0.000 0.000 0.242 68 G C 0.386 175.269 174.900 -0.029 0.000 1.247 68 G CA -0.208 44.887 45.100 -0.007 0.000 0.840 68 G HN 0.605 nan 8.290 nan 0.000 0.578 69 G N -0.483 108.298 108.800 -0.032 0.000 2.491 69 G HA2 0.406 4.366 3.960 0.000 0.000 0.242 69 G HA3 0.406 4.366 3.960 0.000 0.000 0.242 69 G C -0.072 174.821 174.900 -0.011 0.000 1.266 69 G CA -0.525 44.544 45.100 -0.052 0.000 0.844 69 G HN 0.631 nan 8.290 nan 0.000 0.571 70 I N 1.810 122.374 120.570 -0.010 0.000 2.330 70 I HA 0.109 4.279 4.170 0.000 0.000 0.286 70 I C -0.459 175.685 176.117 0.044 0.000 1.025 70 I CA -0.698 60.614 61.300 0.020 0.000 1.197 70 I CB 1.541 39.555 38.000 0.023 0.000 1.358 70 I HN 0.304 nan 8.210 nan 0.000 0.467 71 D N 6.407 126.845 120.400 0.063 0.000 2.352 71 D HA 0.069 4.709 4.640 0.000 0.000 0.245 71 D C 1.049 177.410 176.300 0.101 0.000 1.224 71 D CA -0.217 53.839 54.000 0.093 0.000 0.879 71 D CB 1.515 42.376 40.800 0.103 0.000 1.057 71 D HN 0.403 nan 8.370 nan 0.000 0.491 72 V N 2.032 122.040 119.914 0.157 0.000 3.573 72 V HA 0.136 4.256 4.120 0.000 0.000 0.270 72 V C 0.537 176.798 176.094 0.278 0.000 1.221 72 V CA 0.445 62.846 62.300 0.167 0.000 1.163 72 V CB -1.053 30.966 31.823 0.326 0.000 0.847 72 V HN 0.636 nan 8.190 nan 0.000 0.468 73 H N 0.844 120.012 119.070 0.164 0.000 3.162 73 H HA 0.529 5.085 4.556 -0.000 0.000 0.309 73 H C -0.561 174.826 175.328 0.098 0.000 1.156 73 H CA 0.151 56.335 56.048 0.226 0.000 1.586 73 H CB 0.927 30.850 29.762 0.268 0.000 1.740 73 H HN 0.485 nan 8.280 nan 0.000 0.525 74 T N 1.800 116.501 114.554 0.245 0.000 2.908 74 T HA 0.506 4.856 4.350 0.000 0.000 0.290 74 T C 0.175 174.864 174.700 -0.017 0.000 1.034 74 T CA -1.189 60.802 62.100 -0.182 0.000 1.010 74 T CB 2.209 70.513 68.868 -0.940 0.000 1.068 74 T HN 0.635 nan 8.240 nan 0.000 0.481 75 R N 1.244 121.638 120.500 -0.178 0.000 2.782 75 R HA 0.267 4.607 4.340 0.000 0.000 0.293 75 R C -1.063 175.206 176.300 -0.052 0.000 1.333 75 R CA -0.544 55.582 56.100 0.043 0.000 1.479 75 R CB 0.104 30.508 30.300 0.174 0.000 1.306 75 R HN 0.461 nan 8.270 nan 0.000 0.654 76 F N 1.675 121.538 119.950 -0.146 0.000 2.529 76 F HA 0.040 4.567 4.527 0.000 0.000 0.365 76 F C 1.411 176.958 175.800 -0.422 0.000 1.102 76 F CA -0.181 57.553 58.000 -0.443 0.000 1.271 76 F CB 0.398 38.818 39.000 -0.967 0.000 1.120 76 F HN 0.310 nan 8.300 nan 0.000 0.579 77 Q N 0.401 120.092 119.800 -0.181 0.000 2.461 77 Q HA -0.283 4.057 4.340 0.000 0.000 0.273 77 Q C -0.033 175.834 176.000 -0.221 0.000 1.163 77 Q CA 0.386 56.007 55.803 -0.304 0.000 0.929 77 Q CB -1.363 27.044 28.738 -0.551 0.000 1.334 77 Q HN 0.726 nan 8.270 nan 0.000 0.499 78 M N 1.872 121.468 119.600 -0.005 0.000 2.268 78 M HA 0.156 4.636 4.480 0.000 0.000 0.349 78 M C -2.145 174.268 176.300 0.188 0.000 1.485 78 M CA -1.444 53.983 55.300 0.212 0.000 1.094 78 M CB 0.613 33.395 32.600 0.304 0.000 1.843 78 M HN -0.172 nan 8.290 nan 0.000 0.460 79 P HA 0.206 nan 4.420 nan 0.000 0.271 79 P C -1.533 175.916 177.300 0.248 0.000 1.216 79 P CA 0.102 63.325 63.100 0.204 0.000 0.776 79 P CB 0.599 32.432 31.700 0.222 0.000 0.881 80 D N 1.825 122.339 120.400 0.191 0.000 2.484 80 D HA 0.070 4.710 4.640 0.000 0.000 0.206 80 D C -0.553 175.759 176.300 0.020 0.000 1.322 80 D CA -0.202 53.864 54.000 0.110 0.000 0.913 80 D CB 0.316 41.196 40.800 0.134 0.000 1.559 80 D HN 0.414 nan 8.370 nan 0.000 0.565 81 Q N 2.136 121.931 119.800 -0.007 0.000 2.506 81 Q HA -0.183 4.157 4.340 0.000 0.000 0.268 81 Q C 0.957 176.955 176.000 -0.003 0.000 1.002 81 Q CA 1.040 56.824 55.803 -0.032 0.000 1.052 81 Q CB -1.583 27.111 28.738 -0.074 0.000 1.383 81 Q HN 1.132 nan 8.270 nan 0.000 0.537 82 G N -0.906 107.911 108.800 0.028 0.000 2.234 82 G HA2 -0.355 3.606 3.960 0.000 0.000 0.260 82 G HA3 -0.355 3.606 3.960 0.000 0.000 0.260 82 G C 0.264 175.194 174.900 0.050 0.000 0.987 82 G CA 0.753 45.876 45.100 0.038 0.000 0.625 82 G HN 0.307 nan 8.290 nan 0.000 0.532 83 M N 0.135 119.773 119.600 0.063 0.000 2.369 83 M HA 0.638 5.118 4.480 0.000 0.000 0.291 83 M C 0.066 176.469 176.300 0.172 0.000 1.178 83 M CA 0.016 55.383 55.300 0.111 0.000 0.996 83 M CB 1.747 34.417 32.600 0.116 0.000 1.472 83 M HN 0.051 nan 8.290 nan 0.000 0.496 84 T N 0.233 114.909 114.554 0.202 0.000 3.071 84 T HA 0.181 4.531 4.350 0.000 0.000 0.311 84 T C -0.774 173.939 174.700 0.021 0.000 1.042 84 T CA -0.628 61.539 62.100 0.111 0.000 1.028 84 T CB 1.616 70.459 68.868 -0.042 0.000 1.068 84 T HN 0.751 nan 8.240 nan 0.000 0.451 85 S N 2.192 117.762 115.700 -0.216 0.000 2.599 85 S HA 0.127 4.597 4.470 0.000 0.000 0.303 85 S C 1.692 176.069 174.600 -0.371 0.000 1.267 85 S CA 0.248 58.021 58.200 -0.711 0.000 1.055 85 S CB 0.186 63.026 63.200 -0.599 0.000 0.790 85 S HN 0.875 nan 8.310 nan 0.000 0.500 86 A N 4.312 126.927 122.820 -0.343 0.000 1.972 86 A HA 0.042 4.362 4.320 0.000 0.000 0.219 86 A C 0.747 178.244 177.584 -0.146 0.000 1.169 86 A CA 1.045 52.985 52.037 -0.163 0.000 0.635 86 A CB -0.263 18.677 19.000 -0.100 0.000 0.810 86 A HN 0.867 nan 8.150 nan 0.000 0.446 87 D N 0.658 120.967 120.400 -0.151 0.000 2.233 87 D HA 0.400 5.040 4.640 0.000 0.000 0.240 87 D C -0.865 175.311 176.300 -0.206 0.000 1.074 87 D CA -0.219 53.691 54.000 -0.149 0.000 0.838 87 D CB 1.450 42.229 40.800 -0.035 0.000 1.124 87 D HN 0.503 nan 8.370 nan 0.000 0.475 88 D N -0.013 120.215 120.400 -0.287 0.000 2.621 88 D HA 0.163 4.803 4.640 0.000 0.000 0.255 88 D C 0.833 176.880 176.300 -0.422 0.000 1.122 88 D CA -0.744 53.081 54.000 -0.291 0.000 1.096 88 D CB 0.109 40.803 40.800 -0.177 0.000 1.282 88 D HN 0.066 nan 8.370 nan 0.000 0.619 89 F N -0.829 119.011 119.950 -0.184 0.000 2.202 89 F HA -0.050 4.477 4.527 -0.000 0.000 0.301 89 F C 1.963 177.625 175.800 -0.229 0.000 1.082 89 F CA 0.989 58.876 58.000 -0.189 0.000 1.313 89 F CB -0.388 38.561 39.000 -0.084 0.000 1.024 89 F HN 0.322 nan 8.300 nan 0.000 0.495 90 F N 0.859 120.730 119.950 -0.131 0.000 2.074 90 F HA -0.174 4.353 4.527 0.000 0.000 0.293 90 F C 2.577 178.225 175.800 -0.254 0.000 1.116 90 F CA 1.747 59.655 58.000 -0.154 0.000 1.212 90 F CB -0.926 38.007 39.000 -0.112 0.000 0.998 90 F HN -0.116 nan 8.300 nan 0.000 0.471 91 Q N 0.487 120.035 119.800 -0.420 0.000 2.119 91 Q HA 0.024 4.364 4.340 0.000 0.000 0.201 91 Q C 2.298 177.897 176.000 -0.669 0.000 0.972 91 Q CA 1.856 57.327 55.803 -0.553 0.000 0.847 91 Q CB -1.023 27.556 28.738 -0.264 0.000 0.903 91 Q HN 0.503 nan 8.270 nan 0.000 0.433 92 G N -0.930 107.297 108.800 -0.954 0.000 2.404 92 G HA2 -0.242 3.719 3.960 0.000 0.000 0.215 92 G HA3 -0.242 3.719 3.960 0.000 0.000 0.215 92 G C 1.475 175.711 174.900 -1.106 0.000 1.174 92 G CA 1.386 45.539 45.100 -1.579 0.000 0.780 92 G HN 0.552 nan 8.290 nan 0.000 0.537 93 T N -0.584 113.465 114.554 -0.842 0.000 2.951 93 T HA 0.004 4.354 4.350 0.000 0.000 0.268 93 T C 2.118 176.639 174.700 -0.298 0.000 1.073 93 T CA 1.586 63.476 62.100 -0.350 0.000 1.134 93 T CB -0.084 68.697 68.868 -0.145 0.000 0.884 93 T HN 0.447 nan 8.240 nan 0.000 0.479 94 K N 1.883 122.008 120.400 -0.459 0.000 2.026 94 K HA 0.068 4.388 4.320 0.000 0.000 0.208 94 K C 2.596 179.014 176.600 -0.302 0.000 1.048 94 K CA 1.236 57.264 56.287 -0.433 0.000 0.929 94 K CB -0.746 31.309 32.500 -0.742 0.000 0.713 94 K HN 0.325 nan 8.250 nan 0.000 0.439 95 A N 1.306 123.923 122.820 -0.338 0.000 1.865 95 A HA -0.121 4.199 4.320 0.000 0.000 0.217 95 A C 2.461 179.964 177.584 -0.135 0.000 1.191 95 A CA 2.088 53.987 52.037 -0.230 0.000 0.623 95 A CB -1.198 17.630 19.000 -0.287 0.000 0.826 95 A HN 0.550 nan 8.150 nan 0.000 0.444 96 A N -0.256 122.481 122.820 -0.138 0.000 1.859 96 A HA -0.172 4.148 4.320 0.000 0.000 0.217 96 A C 2.199 179.779 177.584 -0.006 0.000 1.198 96 A CA 1.799 53.822 52.037 -0.024 0.000 0.629 96 A CB -0.840 18.181 19.000 0.034 0.000 0.830 96 A HN 0.497 nan 8.150 nan 0.000 0.446 97 L N -0.839 120.361 121.223 -0.038 0.000 2.127 97 L HA -0.213 4.127 4.340 0.000 0.000 0.211 97 L C 3.036 179.900 176.870 -0.011 0.000 1.089 97 L CA 0.933 55.763 54.840 -0.016 0.000 0.757 97 L CB -0.464 41.572 42.059 -0.038 0.000 0.899 97 L HN 0.471 nan 8.230 nan 0.000 0.434 98 A N -0.019 122.778 122.820 -0.039 0.000 1.978 98 A HA -0.137 4.183 4.320 0.000 0.000 0.220 98 A C 2.281 179.874 177.584 0.014 0.000 1.170 98 A CA 1.759 53.779 52.037 -0.028 0.000 0.636 98 A CB -0.941 18.029 19.000 -0.049 0.000 0.810 98 A HN 0.459 nan 8.150 nan 0.000 0.448 99 G N -2.430 106.398 108.800 0.047 0.000 2.777 99 G HA2 0.374 4.334 3.960 0.000 0.000 0.211 99 G HA3 0.374 4.334 3.960 0.000 0.000 0.211 99 G C 1.019 176.034 174.900 0.191 0.000 1.149 99 G CA 0.576 45.743 45.100 0.111 0.000 0.785 99 G HN 1.657 nan 8.290 nan 0.000 0.536 100 G N -1.210 107.677 108.800 0.144 0.000 2.159 100 G HA2 -0.185 3.775 3.960 0.000 0.000 0.170 100 G HA3 -0.185 3.775 3.960 0.000 0.000 0.170 100 G C 0.114 175.073 174.900 0.098 0.000 1.007 100 G CA 0.082 45.285 45.100 0.171 0.000 0.672 100 G HN 0.452 nan 8.290 nan 0.000 0.507 101 T N 1.588 116.186 114.554 0.074 0.000 2.733 101 T HA 0.508 4.858 4.350 0.000 0.000 0.294 101 T C 1.393 176.121 174.700 0.048 0.000 0.956 101 T CA 0.535 62.668 62.100 0.055 0.000 0.987 101 T CB 1.286 70.195 68.868 0.069 0.000 0.920 101 T HN 0.595 nan 8.240 nan 0.000 0.470 102 T N 0.742 115.319 114.554 0.039 0.000 3.069 102 T HA 0.426 4.777 4.350 0.000 0.000 0.252 102 T C 0.314 175.043 174.700 0.048 0.000 1.053 102 T CA -0.300 61.822 62.100 0.038 0.000 0.964 102 T CB 0.114 68.997 68.868 0.025 0.000 1.005 102 T HN 0.498 nan 8.240 nan 0.000 0.532 103 M N 1.752 121.384 119.600 0.053 0.000 2.371 103 M HA 0.608 5.088 4.480 0.000 0.000 0.287 103 M C -2.182 174.170 176.300 0.085 0.000 1.149 103 M CA -1.375 53.964 55.300 0.065 0.000 0.929 103 M CB 2.312 34.925 32.600 0.022 0.000 1.683 103 M HN 0.270 nan 8.290 nan 0.000 0.470 104 I N 2.429 123.082 120.570 0.138 0.000 2.646 104 I HA 0.699 4.869 4.170 0.000 0.000 0.299 104 I C -1.519 174.659 176.117 0.102 0.000 1.036 104 I CA -0.576 60.812 61.300 0.148 0.000 1.074 104 I CB 1.958 40.123 38.000 0.274 0.000 1.258 104 I HN 0.614 nan 8.210 nan 0.000 0.430 105 I N 3.535 124.095 120.570 -0.017 0.000 2.439 105 I HA 0.467 4.637 4.170 0.000 0.000 0.285 105 I C -0.874 175.151 176.117 -0.152 0.000 1.021 105 I CA -0.291 60.880 61.300 -0.215 0.000 1.091 105 I CB 1.531 39.164 38.000 -0.611 0.000 1.242 105 I HN 0.710 nan 8.210 nan 0.000 0.439 106 D N 3.468 123.857 120.400 -0.019 0.000 2.487 106 D HA 0.403 5.043 4.640 0.000 0.000 0.262 106 D C -0.695 175.585 176.300 -0.035 0.000 1.130 106 D CA -0.295 53.782 54.000 0.129 0.000 1.038 106 D CB 1.231 42.328 40.800 0.494 0.000 1.142 106 D HN 0.414 nan 8.370 nan 0.000 0.575 107 H N 0.214 119.365 119.070 0.135 0.000 2.587 107 H HA 0.326 4.882 4.556 -0.000 0.000 0.325 107 H C -0.903 174.215 175.328 -0.349 0.000 1.012 107 H CA -0.629 55.401 56.048 -0.030 0.000 1.213 107 H CB 1.278 31.048 29.762 0.013 0.000 1.431 107 H HN 0.064 nan 8.280 nan 0.000 0.492 108 V N 5.240 124.810 119.914 -0.574 0.000 2.427 108 V HA 0.021 4.141 4.120 0.000 0.000 0.268 108 V C 0.388 175.983 176.094 -0.832 0.000 1.046 108 V CA -0.340 61.164 62.300 -1.326 0.000 0.970 108 V CB 0.866 32.280 31.823 -0.683 0.000 1.001 108 V HN 0.422 nan 8.190 nan 0.000 0.476 109 V N 8.525 127.816 119.914 -1.039 0.000 2.293 109 V HA 0.331 4.451 4.120 0.000 0.000 0.275 109 V C -2.027 174.001 176.094 -0.110 0.000 1.021 109 V CA -1.678 60.436 62.300 -0.311 0.000 0.815 109 V CB 1.210 33.044 31.823 0.017 0.000 1.025 109 V HN 0.736 nan 8.190 nan 0.000 0.448 110 P HA 0.319 nan 4.420 nan 0.000 0.278 110 P C -0.392 176.994 177.300 0.143 0.000 1.238 110 P CA -0.359 62.794 63.100 0.088 0.000 0.794 110 P CB 1.191 32.926 31.700 0.060 0.000 0.955 111 E N 3.300 123.622 120.200 0.204 0.000 2.366 111 E HA 0.266 4.616 4.350 0.000 0.000 0.266 111 E C -2.223 174.497 176.600 0.200 0.000 1.051 111 E CA -2.424 54.113 56.400 0.228 0.000 0.884 111 E CB -0.473 29.345 29.700 0.197 0.000 1.006 111 E HN 0.278 nan 8.360 nan 0.000 0.417 112 P HA 0.147 nan 4.420 nan 0.000 0.267 112 P C 0.109 177.495 177.300 0.143 0.000 1.209 112 P CA 0.872 64.089 63.100 0.196 0.000 0.763 112 P CB 0.704 32.523 31.700 0.199 0.000 0.816 113 G N 1.624 110.507 108.800 0.139 0.000 2.184 113 G HA2 -0.160 3.800 3.960 0.000 0.000 0.206 113 G HA3 -0.160 3.800 3.960 0.000 0.000 0.206 113 G C 0.203 175.161 174.900 0.097 0.000 0.995 113 G CA 0.163 45.327 45.100 0.107 0.000 0.651 113 G HN 0.817 nan 8.290 nan 0.000 0.511 114 T N -0.928 113.692 114.554 0.111 0.000 2.940 114 T HA 0.737 5.087 4.350 0.000 0.000 0.288 114 T C 0.427 175.186 174.700 0.099 0.000 1.033 114 T CA 0.571 62.729 62.100 0.097 0.000 1.033 114 T CB 1.877 70.808 68.868 0.105 0.000 1.079 114 T HN 1.530 nan 8.240 nan 0.000 0.496 115 S N 2.402 118.150 115.700 0.081 0.000 2.565 115 S HA 0.273 4.743 4.470 0.000 0.000 0.274 115 S C 1.477 176.118 174.600 0.068 0.000 1.309 115 S CA -0.956 57.288 58.200 0.072 0.000 1.043 115 S CB 0.065 63.296 63.200 0.052 0.000 0.939 115 S HN 0.706 nan 8.310 nan 0.000 0.504 116 L N 2.445 123.706 121.223 0.062 0.000 2.081 116 L HA -0.166 4.174 4.340 0.000 0.000 0.212 116 L C 2.292 179.193 176.870 0.052 0.000 1.080 116 L CA 1.375 56.252 54.840 0.061 0.000 0.754 116 L CB -0.740 41.360 42.059 0.068 0.000 0.893 116 L HN 0.720 nan 8.230 nan 0.000 0.433 117 L N -0.572 120.661 121.223 0.016 0.000 2.093 117 L HA -0.144 4.196 4.340 0.000 0.000 0.208 117 L C 2.843 179.723 176.870 0.018 0.000 1.085 117 L CA 1.100 55.922 54.840 -0.030 0.000 0.755 117 L CB -0.611 41.407 42.059 -0.069 0.000 0.904 117 L HN 0.206 nan 8.230 nan 0.000 0.435 118 A N -0.128 122.709 122.820 0.028 0.000 1.898 118 A HA -0.113 4.207 4.320 0.000 0.000 0.216 118 A C 2.536 180.144 177.584 0.039 0.000 1.181 118 A CA 1.508 53.558 52.037 0.021 0.000 0.620 118 A CB -0.716 18.299 19.000 0.026 0.000 0.819 118 A HN 0.367 nan 8.150 nan 0.000 0.442 119 A N -0.840 122.036 122.820 0.093 0.000 1.865 119 A HA -0.130 4.190 4.320 0.000 0.000 0.217 119 A C 2.057 179.741 177.584 0.167 0.000 1.191 119 A CA 1.756 53.894 52.037 0.168 0.000 0.623 119 A CB -0.895 18.175 19.000 0.117 0.000 0.826 119 A HN 0.688 nan 8.150 nan 0.000 0.444 120 F N 1.104 121.024 119.950 -0.050 0.000 2.120 120 F HA -0.241 4.286 4.527 -0.000 0.000 0.300 120 F C 1.801 177.538 175.800 -0.105 0.000 1.095 120 F CA 2.303 60.247 58.000 -0.094 0.000 1.249 120 F CB -0.200 38.693 39.000 -0.178 0.000 0.995 120 F HN 0.253 nan 8.300 nan 0.000 0.480 121 D N -0.456 119.909 120.400 -0.058 0.000 2.144 121 D HA -0.172 4.468 4.640 0.000 0.000 0.200 121 D C 2.131 178.262 176.300 -0.281 0.000 0.978 121 D CA 1.163 55.058 54.000 -0.175 0.000 0.833 121 D CB -0.380 40.368 40.800 -0.087 0.000 0.961 121 D HN 0.352 nan 8.370 nan 0.000 0.470 122 Q N -0.503 119.128 119.800 -0.282 0.000 2.119 122 Q HA -0.105 4.235 4.340 0.000 0.000 0.201 122 Q C 2.010 177.438 176.000 -0.954 0.000 0.972 122 Q CA 1.236 56.680 55.803 -0.598 0.000 0.847 122 Q CB -0.406 28.022 28.738 -0.518 0.000 0.903 122 Q HN 0.392 nan 8.270 nan 0.000 0.433 123 W N 0.473 121.357 121.300 -0.693 0.000 2.388 123 W HA -0.078 4.582 4.660 0.000 0.000 0.294 123 W C 1.879 178.140 176.519 -0.430 0.000 1.212 123 W CA 0.982 58.089 57.345 -0.397 0.000 1.271 123 W CB 0.043 29.432 29.460 -0.118 0.000 1.126 123 W HN 0.216 nan 8.180 nan 0.000 0.535 124 R N 0.487 120.782 120.500 -0.341 0.000 2.096 124 R HA -0.188 4.152 4.340 0.000 0.000 0.235 124 R C 1.829 177.952 176.300 -0.296 0.000 1.127 124 R CA 1.609 57.490 56.100 -0.365 0.000 0.968 124 R CB -0.910 29.083 30.300 -0.512 0.000 0.861 124 R HN 0.351 nan 8.270 nan 0.000 0.440 125 E N -0.091 119.897 120.200 -0.353 0.000 2.038 125 E HA -0.203 4.147 4.350 0.000 0.000 0.195 125 E C 1.705 178.201 176.600 -0.174 0.000 1.000 125 E CA 1.291 57.522 56.400 -0.283 0.000 0.803 125 E CB -0.111 29.358 29.700 -0.385 0.000 0.750 125 E HN 0.261 nan 8.360 nan 0.000 0.448 126 W N 0.158 121.293 121.300 -0.274 0.000 2.321 126 W HA -0.142 4.518 4.660 -0.000 0.000 0.306 126 W C 2.388 178.639 176.519 -0.446 0.000 1.217 126 W CA 1.364 58.524 57.345 -0.308 0.000 1.257 126 W CB -1.153 28.110 29.460 -0.327 0.000 1.145 126 W HN 0.304 nan 8.180 nan 0.000 0.509 127 A N -0.649 121.848 122.820 -0.539 0.000 1.984 127 A HA -0.063 4.257 4.320 0.000 0.000 0.214 127 A C 1.740 179.005 177.584 -0.531 0.000 1.173 127 A CA 1.190 52.639 52.037 -0.980 0.000 0.673 127 A CB -0.502 17.437 19.000 -1.769 0.000 0.830 127 A HN 0.039 nan 8.150 nan 0.000 0.453 128 D N 0.539 120.785 120.400 -0.257 0.000 2.219 128 D HA -0.103 4.537 4.640 0.000 0.000 0.205 128 D C 2.282 178.555 176.300 -0.045 0.000 0.970 128 D CA 1.684 55.650 54.000 -0.056 0.000 0.851 128 D CB -0.019 40.771 40.800 -0.017 0.000 0.943 128 D HN 0.573 nan 8.370 nan 0.000 0.488 129 S N 0.156 115.819 115.700 -0.061 0.000 2.388 129 S HA 0.030 4.500 4.470 0.000 0.000 0.223 129 S C 1.816 176.404 174.600 -0.020 0.000 1.034 129 S CA 0.379 58.561 58.200 -0.030 0.000 0.963 129 S CB 0.131 63.320 63.200 -0.017 0.000 0.827 129 S HN 0.100 nan 8.310 nan 0.000 0.481 130 K N 1.171 121.565 120.400 -0.010 0.000 2.287 130 K HA 0.280 4.600 4.320 0.000 0.000 0.199 130 K C 0.794 177.473 176.600 0.132 0.000 1.061 130 K CA 0.173 56.505 56.287 0.074 0.000 0.976 130 K CB 0.053 32.634 32.500 0.135 0.000 0.898 130 K HN 0.246 nan 8.250 nan 0.000 0.492 131 S N 0.585 116.301 115.700 0.026 0.000 2.575 131 S HA -0.082 4.388 4.470 0.000 0.000 0.295 131 S C 1.084 175.737 174.600 0.088 0.000 1.267 131 S CA -0.455 57.772 58.200 0.045 0.000 1.074 131 S CB 0.252 63.362 63.200 -0.151 0.000 0.829 131 S HN 0.320 nan 8.310 nan 0.000 0.497 132 C N 4.409 123.756 119.300 0.080 0.000 2.514 132 C HA 0.220 4.680 4.460 0.000 0.000 0.271 132 C C 1.300 176.331 174.990 0.068 0.000 1.399 132 C CA -0.383 58.680 59.018 0.074 0.000 1.765 132 C CB -2.110 25.623 27.740 -0.011 0.000 1.893 132 C HN 0.951 nan 8.230 nan 0.000 0.531 133 C N -1.060 118.292 119.300 0.088 0.000 2.971 133 C HA 0.598 5.058 4.460 0.000 0.000 0.310 133 C C -0.854 174.244 174.990 0.180 0.000 1.285 133 C CA -1.152 57.929 59.018 0.106 0.000 1.593 133 C CB 0.327 28.117 27.740 0.084 0.000 2.076 133 C HN 0.294 nan 8.230 nan 0.000 0.472 134 D N 1.509 121.998 120.400 0.148 0.000 2.548 134 D HA 0.347 4.987 4.640 0.000 0.000 0.231 134 D C -0.373 176.064 176.300 0.228 0.000 1.142 134 D CA 1.358 55.451 54.000 0.156 0.000 0.866 134 D CB 0.126 40.951 40.800 0.042 0.000 1.190 134 D HN 0.841 nan 8.370 nan 0.000 0.469 135 Y N -1.633 118.677 120.300 0.017 0.000 2.670 135 Y HA 0.630 5.180 4.550 -0.000 0.000 0.334 135 Y C -1.090 174.775 175.900 -0.059 0.000 1.185 135 Y CA -1.049 57.072 58.100 0.035 0.000 1.053 135 Y CB 1.061 39.614 38.460 0.154 0.000 1.298 135 Y HN 0.249 nan 8.280 nan 0.000 0.459 136 S N 0.600 116.188 115.700 -0.187 0.000 2.671 136 S HA 0.849 5.319 4.470 0.000 0.000 0.277 136 S C -2.087 172.483 174.600 -0.050 0.000 1.165 136 S CA -0.843 57.133 58.200 -0.374 0.000 0.822 136 S CB 1.283 64.188 63.200 -0.492 0.000 1.150 136 S HN 0.744 nan 8.310 nan 0.000 0.479 137 L N 2.173 123.406 121.223 0.017 0.000 2.408 137 L HA 0.546 4.886 4.340 0.000 0.000 0.268 137 L C -0.887 175.822 176.870 -0.268 0.000 0.986 137 L CA -0.731 54.080 54.840 -0.048 0.000 0.820 137 L CB 1.903 44.050 42.059 0.146 0.000 1.303 137 L HN 0.743 nan 8.230 nan 0.000 0.411 138 H N 1.018 119.877 119.070 -0.351 0.000 2.511 138 H HA 0.481 5.037 4.556 -0.000 0.000 0.346 138 H C -0.682 174.436 175.328 -0.350 0.000 1.128 138 H CA -0.574 55.184 56.048 -0.483 0.000 1.342 138 H CB 1.685 30.970 29.762 -0.794 0.000 1.470 138 H HN 0.186 nan 8.280 nan 0.000 0.546 139 V N 3.228 122.996 119.914 -0.243 0.000 2.384 139 V HA 0.119 4.239 4.120 0.000 0.000 0.287 139 V C -0.424 175.671 176.094 0.002 0.000 1.020 139 V CA -0.854 61.367 62.300 -0.132 0.000 0.850 139 V CB 1.376 33.145 31.823 -0.089 0.000 0.987 139 V HN 0.776 nan 8.190 nan 0.000 0.436 140 D N 3.812 124.221 120.400 0.014 0.000 2.210 140 D HA 0.532 5.173 4.640 0.000 0.000 0.249 140 D C -0.362 175.985 176.300 0.078 0.000 1.062 140 D CA -0.030 54.007 54.000 0.063 0.000 0.891 140 D CB 1.877 42.712 40.800 0.058 0.000 1.186 140 D HN 0.342 nan 8.370 nan 0.000 0.432 141 I N 1.547 122.191 120.570 0.123 0.000 2.307 141 I HA 0.048 4.218 4.170 0.000 0.000 0.289 141 I C 1.196 177.375 176.117 0.104 0.000 1.021 141 I CA 0.005 61.381 61.300 0.126 0.000 1.224 141 I CB 1.185 39.284 38.000 0.164 0.000 1.376 141 I HN 0.315 nan 8.210 nan 0.000 0.470 142 S N 3.937 119.648 115.700 0.018 0.000 2.528 142 S HA 0.145 4.615 4.470 0.000 0.000 0.219 142 S C 0.316 175.054 174.600 0.230 0.000 0.985 142 S CA -0.169 58.030 58.200 -0.001 0.000 0.914 142 S CB -0.361 62.826 63.200 -0.023 0.000 0.776 142 S HN 0.726 nan 8.310 nan 0.000 0.526 143 E N -0.635 119.685 120.200 0.201 0.000 2.372 143 E HA 0.332 4.682 4.350 0.000 0.000 0.279 143 E C -1.847 174.890 176.600 0.229 0.000 0.946 143 E CA -1.065 55.473 56.400 0.230 0.000 0.769 143 E CB 0.761 30.591 29.700 0.217 0.000 1.230 143 E HN 0.363 nan 8.360 nan 0.000 0.442 144 W N 4.220 125.533 121.300 0.020 0.000 2.475 144 W HA 0.396 5.056 4.660 0.001 0.000 0.317 144 W C -1.441 175.079 176.519 0.001 0.000 1.046 144 W CA -0.316 56.997 57.345 -0.054 0.000 1.215 144 W CB 1.445 30.910 29.460 0.007 0.000 1.335 144 W HN 0.968 nan 8.180 nan 0.000 0.471 145 H N 1.604 120.240 119.070 -0.722 0.000 2.948 145 H HA 0.463 5.019 4.556 0.000 0.000 0.315 145 H C -1.513 173.310 175.328 -0.841 0.000 1.360 145 H CA -1.136 54.533 56.048 -0.632 0.000 1.125 145 H CB 0.600 30.203 29.762 -0.265 0.000 1.844 145 H HN 0.114 nan 8.280 nan 0.000 0.529 146 K N -0.014 120.228 120.400 -0.264 0.000 2.382 146 K HA 0.407 4.727 4.320 0.000 0.000 0.275 146 K C 1.133 177.732 176.600 -0.002 0.000 1.009 146 K CA 1.288 57.452 56.287 -0.206 0.000 0.970 146 K CB 0.429 32.870 32.500 -0.098 0.000 0.934 146 K HN 1.003 nan 8.250 nan 0.000 0.479 147 G N 1.762 110.511 108.800 -0.086 0.000 2.313 147 G HA2 -0.242 3.718 3.960 0.000 0.000 0.215 147 G HA3 -0.242 3.718 3.960 0.000 0.000 0.215 147 G C 0.931 175.787 174.900 -0.073 0.000 1.023 147 G CA 0.032 45.138 45.100 0.010 0.000 0.626 147 G HN 0.460 nan 8.290 nan 0.000 0.503 148 I N 1.795 122.152 120.570 -0.354 0.000 2.252 148 I HA -0.151 4.019 4.170 0.000 0.000 0.245 148 I C 2.739 178.747 176.117 -0.182 0.000 1.102 148 I CA 2.440 63.525 61.300 -0.358 0.000 1.385 148 I CB -1.125 36.543 38.000 -0.553 0.000 1.064 148 I HN 0.612 nan 8.210 nan 0.000 0.414 149 Q N 1.271 120.953 119.800 -0.197 0.000 2.045 149 Q HA -0.294 4.046 4.340 0.000 0.000 0.206 149 Q C 2.200 178.165 176.000 -0.059 0.000 0.991 149 Q CA 2.472 58.239 55.803 -0.059 0.000 0.851 149 Q CB -0.254 28.472 28.738 -0.020 0.000 0.911 149 Q HN 0.503 nan 8.270 nan 0.000 0.418 150 E N -0.195 119.974 120.200 -0.051 0.000 2.118 150 E HA -0.242 4.108 4.350 0.000 0.000 0.195 150 E C 1.823 178.413 176.600 -0.018 0.000 0.992 150 E CA 1.414 57.799 56.400 -0.026 0.000 0.804 150 E CB 0.015 29.704 29.700 -0.017 0.000 0.741 150 E HN 0.500 nan 8.360 nan 0.000 0.458 151 E N -0.179 120.006 120.200 -0.025 0.000 2.110 151 E HA -0.187 4.163 4.350 0.000 0.000 0.193 151 E C 2.171 178.771 176.600 0.001 0.000 0.988 151 E CA 1.160 57.557 56.400 -0.005 0.000 0.804 151 E CB -0.080 29.619 29.700 -0.002 0.000 0.745 151 E HN 0.441 nan 8.360 nan 0.000 0.458 152 M N 0.354 119.918 119.600 -0.060 0.000 2.156 152 M HA -0.130 4.350 4.480 0.000 0.000 0.264 152 M C 1.989 178.268 176.300 -0.035 0.000 1.067 152 M CA 1.365 56.577 55.300 -0.146 0.000 1.131 152 M CB -0.230 32.075 32.600 -0.492 0.000 1.368 152 M HN 0.017 nan 8.290 nan 0.000 0.416 153 E N 0.692 120.866 120.200 -0.043 0.000 2.110 153 E HA -0.140 4.210 4.350 0.000 0.000 0.193 153 E C 2.089 178.699 176.600 0.016 0.000 0.988 153 E CA 1.240 57.634 56.400 -0.010 0.000 0.804 153 E CB -0.143 29.550 29.700 -0.012 0.000 0.745 153 E HN 0.497 nan 8.360 nan 0.000 0.458 154 A N 0.986 123.823 122.820 0.028 0.000 1.897 154 A HA -0.106 4.214 4.320 0.000 0.000 0.215 154 A C 2.158 179.804 177.584 0.103 0.000 1.181 154 A CA 0.834 52.902 52.037 0.052 0.000 0.620 154 A CB -0.512 18.531 19.000 0.073 0.000 0.821 154 A HN 0.120 nan 8.150 nan 0.000 0.443 155 L N -0.435 120.849 121.223 0.102 0.000 2.083 155 L HA -0.153 4.187 4.340 0.000 0.000 0.209 155 L C 2.476 179.357 176.870 0.019 0.000 1.083 155 L CA 0.945 55.808 54.840 0.038 0.000 0.752 155 L CB -0.460 41.564 42.059 -0.059 0.000 0.899 155 L HN 0.251 nan 8.230 nan 0.000 0.433 156 V N -0.257 119.705 119.914 0.080 0.000 2.323 156 V HA -0.240 3.880 4.120 0.000 0.000 0.244 156 V C 2.404 178.494 176.094 -0.008 0.000 1.041 156 V CA 1.667 63.992 62.300 0.041 0.000 1.025 156 V CB -0.451 31.406 31.823 0.057 0.000 0.656 156 V HN 0.385 nan 8.190 nan 0.000 0.451 157 K N -0.045 120.346 120.400 -0.014 0.000 2.026 157 K HA -0.139 4.181 4.320 0.000 0.000 0.208 157 K C 1.653 178.200 176.600 -0.089 0.000 1.048 157 K CA 1.764 58.030 56.287 -0.036 0.000 0.929 157 K CB -0.117 32.364 32.500 -0.031 0.000 0.713 157 K HN 0.447 nan 8.250 nan 0.000 0.439 158 D N -1.479 118.816 120.400 -0.176 0.000 2.454 158 D HA 0.033 4.673 4.640 0.000 0.000 0.219 158 D C 0.813 176.775 176.300 -0.564 0.000 1.081 158 D CA 0.599 54.363 54.000 -0.393 0.000 0.867 158 D CB 0.542 41.006 40.800 -0.560 0.000 1.054 158 D HN 0.279 nan 8.370 nan 0.000 0.500 159 H N -0.244 118.776 119.070 -0.084 0.000 2.567 159 H HA 0.302 4.858 4.556 -0.000 0.000 0.267 159 H C 0.966 176.313 175.328 0.032 0.000 1.148 159 H CA 0.234 56.227 56.048 -0.093 0.000 1.031 159 H CB 0.947 30.454 29.762 -0.424 0.000 1.691 159 H HN 0.053 nan 8.280 nan 0.000 0.588 160 G N 1.771 110.633 108.800 0.105 0.000 2.305 160 G HA2 -0.284 3.676 3.960 0.000 0.000 0.287 160 G HA3 -0.284 3.676 3.960 0.000 0.000 0.287 160 G C 0.141 175.093 174.900 0.087 0.000 1.036 160 G CA 0.515 45.687 45.100 0.120 0.000 0.887 160 G HN 0.236 nan 8.290 nan 0.000 0.505 161 V N 0.855 120.757 119.914 -0.021 0.000 2.481 161 V HA 0.568 4.688 4.120 0.000 0.000 0.286 161 V C 0.663 176.673 176.094 -0.140 0.000 1.042 161 V CA -0.020 62.201 62.300 -0.133 0.000 0.928 161 V CB 1.812 33.451 31.823 -0.307 0.000 0.986 161 V HN 0.645 nan 8.190 nan 0.000 0.462 162 N N 1.449 120.046 118.700 -0.170 0.000 2.387 162 N HA 0.130 4.870 4.740 0.000 0.000 0.259 162 N C -0.575 174.916 175.510 -0.032 0.000 1.369 162 N CA 0.024 53.031 53.050 -0.072 0.000 0.867 162 N CB 0.990 39.463 38.487 -0.023 0.000 1.341 162 N HN 0.618 nan 8.380 nan 0.000 0.495 163 S N -1.011 114.529 115.700 -0.267 0.000 2.542 163 S HA 0.742 5.212 4.470 0.000 0.000 0.276 163 S C -1.522 172.782 174.600 -0.493 0.000 1.148 163 S CA -0.826 57.306 58.200 -0.112 0.000 0.886 163 S CB 0.674 63.979 63.200 0.175 0.000 1.109 163 S HN 0.037 nan 8.310 nan 0.000 0.458 164 F N 0.741 120.688 119.950 -0.006 0.000 2.601 164 F HA 0.697 5.224 4.527 -0.000 0.000 0.309 164 F C -0.676 175.088 175.800 -0.060 0.000 1.089 164 F CA -0.851 57.133 58.000 -0.028 0.000 0.940 164 F CB 1.935 40.923 39.000 -0.019 0.000 1.273 164 F HN 0.703 nan 8.300 nan 0.000 0.450 165 L N 3.763 125.042 121.223 0.094 0.000 2.329 165 L HA 0.878 5.219 4.340 0.000 0.000 0.279 165 L C -0.984 175.852 176.870 -0.055 0.000 1.014 165 L CA -0.831 53.984 54.840 -0.041 0.000 0.814 165 L CB 1.559 43.534 42.059 -0.140 0.000 1.257 165 L HN 0.530 nan 8.230 nan 0.000 0.424 166 V N 0.837 120.698 119.914 -0.089 0.000 2.864 166 V HA 0.565 4.685 4.120 0.000 0.000 0.314 166 V C -1.225 174.829 176.094 -0.067 0.000 1.073 166 V CA -0.781 61.510 62.300 -0.015 0.000 0.956 166 V CB 1.632 33.461 31.823 0.010 0.000 1.023 166 V HN 0.572 nan 8.190 nan 0.000 0.435 167 Y N 2.612 122.996 120.300 0.141 0.000 2.360 167 Y HA 0.612 5.162 4.550 0.000 0.000 0.337 167 Y C 1.056 177.075 175.900 0.199 0.000 1.039 167 Y CA -0.801 57.437 58.100 0.231 0.000 1.109 167 Y CB 2.147 40.801 38.460 0.323 0.000 1.201 167 Y HN 0.608 nan 8.280 nan 0.000 0.458 168 M N 1.608 121.401 119.600 0.321 0.000 2.382 168 M HA 0.320 4.800 4.480 0.000 0.000 0.247 168 M C 0.604 177.014 176.300 0.184 0.000 1.104 168 M CA 0.139 55.566 55.300 0.212 0.000 1.030 168 M CB 0.531 33.216 32.600 0.141 0.000 1.424 168 M HN 0.661 nan 8.290 nan 0.000 0.486 169 A N -0.419 122.532 122.820 0.218 0.000 2.352 169 A HA 0.738 5.058 4.320 0.000 0.000 0.299 169 A C -0.385 177.190 177.584 -0.014 0.000 1.160 169 A CA -0.515 51.483 52.037 -0.065 0.000 0.933 169 A CB 0.228 19.011 19.000 -0.361 0.000 1.387 169 A HN 0.426 nan 8.150 nan 0.000 0.487 170 F N -1.483 118.507 119.950 0.066 0.000 2.975 170 F HA -0.143 4.384 4.527 0.000 0.000 0.319 170 F C 0.588 176.369 175.800 -0.031 0.000 0.976 170 F CA 0.903 58.885 58.000 -0.031 0.000 1.072 170 F CB -1.872 37.051 39.000 -0.129 0.000 1.165 170 F HN 0.714 nan 8.300 nan 0.000 0.758 171 K N 1.473 121.921 120.400 0.081 0.000 2.561 171 K HA -0.033 4.287 4.320 0.000 0.000 0.280 171 K C 1.042 177.665 176.600 0.038 0.000 0.975 171 K CA 1.230 57.554 56.287 0.062 0.000 1.024 171 K CB 0.249 32.769 32.500 0.033 0.000 0.883 171 K HN 0.444 nan 8.250 nan 0.000 0.496 172 D N 1.288 121.710 120.400 0.037 0.000 2.978 172 D HA -0.205 4.435 4.640 0.000 0.000 0.205 172 D C 0.632 176.910 176.300 -0.036 0.000 1.093 172 D CA 1.289 55.294 54.000 0.010 0.000 1.006 172 D CB -0.364 40.434 40.800 -0.003 0.000 1.116 172 D HN 0.691 nan 8.370 nan 0.000 0.419 173 R N -1.712 118.744 120.500 -0.075 0.000 3.007 173 R HA 0.223 4.563 4.340 0.000 0.000 0.162 173 R C 1.253 177.473 176.300 -0.133 0.000 1.083 173 R CA 0.251 56.186 56.100 -0.276 0.000 1.093 173 R CB 0.076 30.002 30.300 -0.623 0.000 1.305 173 R HN 0.037 nan 8.270 nan 0.000 0.511 174 F N 1.068 121.018 119.950 -0.000 0.000 2.789 174 F HA 0.303 4.830 4.527 0.000 0.000 0.320 174 F C 0.710 176.589 175.800 0.131 0.000 1.079 174 F CA -0.507 57.475 58.000 -0.030 0.000 1.205 174 F CB -0.192 38.567 39.000 -0.402 0.000 1.046 174 F HN -0.048 nan 8.300 nan 0.000 0.586 175 Q N 2.140 122.135 119.800 0.326 0.000 2.247 175 Q HA 0.116 4.456 4.340 0.000 0.000 0.288 175 Q C -0.928 175.208 176.000 0.225 0.000 1.079 175 Q CA 0.039 56.005 55.803 0.272 0.000 0.932 175 Q CB 0.452 29.298 28.738 0.180 0.000 1.133 175 Q HN 0.016 nan 8.270 nan 0.000 0.377 176 L N 3.606 124.957 121.223 0.213 0.000 2.360 176 L HA 0.370 4.710 4.340 0.000 0.000 0.271 176 L C 0.654 177.593 176.870 0.114 0.000 1.057 176 L CA -0.027 54.908 54.840 0.158 0.000 0.803 176 L CB 1.445 43.576 42.059 0.120 0.000 1.207 176 L HN 0.836 nan 8.230 nan 0.000 0.445 177 T N -2.565 112.048 114.554 0.098 0.000 2.788 177 T HA 0.178 4.528 4.350 0.000 0.000 0.280 177 T C 0.729 175.460 174.700 0.051 0.000 0.984 177 T CA -0.617 61.527 62.100 0.074 0.000 0.972 177 T CB 0.628 69.540 68.868 0.075 0.000 1.039 177 T HN 0.490 nan 8.240 nan 0.000 0.530 178 D N 0.067 120.492 120.400 0.042 0.000 2.117 178 D HA -0.098 4.542 4.640 0.000 0.000 0.197 178 D C 2.302 178.626 176.300 0.040 0.000 0.987 178 D CA 1.575 55.596 54.000 0.034 0.000 0.829 178 D CB -0.727 40.086 40.800 0.022 0.000 0.961 178 D HN 0.818 nan 8.370 nan 0.000 0.460 179 C N 0.129 119.448 119.300 0.032 0.000 2.450 179 C HA 0.072 4.532 4.460 0.000 0.000 0.279 179 C C 2.438 177.467 174.990 0.065 0.000 1.335 179 C CA -0.100 58.947 59.018 0.048 0.000 1.749 179 C CB -1.052 26.698 27.740 0.016 0.000 1.963 179 C HN 0.210 nan 8.230 nan 0.000 0.501 180 Q N 1.032 120.853 119.800 0.035 0.000 2.077 180 Q HA -0.151 4.189 4.340 0.000 0.000 0.206 180 Q C 2.265 178.063 176.000 -0.338 0.000 0.989 180 Q CA 2.080 57.825 55.803 -0.097 0.000 0.853 180 Q CB -0.263 28.503 28.738 0.047 0.000 0.907 180 Q HN 0.790 nan 8.270 nan 0.000 0.418 181 I N -0.517 119.964 120.570 -0.149 0.000 2.179 181 I HA -0.302 3.868 4.170 0.000 0.000 0.242 181 I C 2.246 178.278 176.117 -0.141 0.000 1.088 181 I CA 1.194 62.402 61.300 -0.153 0.000 1.357 181 I CB -0.334 37.643 38.000 -0.038 0.000 1.051 181 I HN 0.220 nan 8.210 nan 0.000 0.409 182 Y N 1.861 122.070 120.300 -0.152 0.000 2.151 182 Y HA -0.323 4.227 4.550 -0.000 0.000 0.284 182 Y C 2.393 178.206 175.900 -0.144 0.000 1.166 182 Y CA 1.965 59.998 58.100 -0.111 0.000 1.163 182 Y CB -0.167 38.259 38.460 -0.056 0.000 0.974 182 Y HN 0.219 nan 8.280 nan 0.000 0.511 183 E N -0.881 119.281 120.200 -0.064 0.000 2.072 183 E HA -0.150 4.200 4.350 0.000 0.000 0.190 183 E C 2.240 178.600 176.600 -0.399 0.000 0.982 183 E CA 1.438 57.770 56.400 -0.113 0.000 0.803 183 E CB -0.217 29.545 29.700 0.104 0.000 0.755 183 E HN 0.348 nan 8.360 nan 0.000 0.453 184 V N 1.417 120.829 119.914 -0.837 0.000 2.287 184 V HA -0.256 3.864 4.120 0.000 0.000 0.248 184 V C 2.276 178.144 176.094 -0.375 0.000 1.053 184 V CA 1.342 63.154 62.300 -0.813 0.000 1.027 184 V CB -0.459 30.899 31.823 -0.775 0.000 0.646 184 V HN 0.182 nan 8.190 nan 0.000 0.447 185 L N 0.336 121.377 121.223 -0.303 0.000 2.083 185 L HA -0.128 4.212 4.340 0.000 0.000 0.209 185 L C 2.623 179.378 176.870 -0.191 0.000 1.083 185 L CA 1.890 56.608 54.840 -0.203 0.000 0.752 185 L CB -1.123 40.826 42.059 -0.184 0.000 0.899 185 L HN 0.290 nan 8.230 nan 0.000 0.433 186 S N -1.146 114.400 115.700 -0.256 0.000 2.368 186 S HA -0.146 4.324 4.470 0.000 0.000 0.225 186 S C 2.084 176.633 174.600 -0.086 0.000 1.030 186 S CA 1.337 59.420 58.200 -0.194 0.000 0.999 186 S CB -0.341 62.721 63.200 -0.229 0.000 0.844 186 S HN 0.238 nan 8.310 nan 0.000 0.459 187 V N 2.183 122.050 119.914 -0.078 0.000 2.307 187 V HA -0.129 3.991 4.120 0.000 0.000 0.245 187 V C 2.093 178.142 176.094 -0.074 0.000 1.045 187 V CA 1.390 63.667 62.300 -0.038 0.000 1.024 187 V CB -0.683 31.152 31.823 0.019 0.000 0.651 187 V HN 0.443 nan 8.190 nan 0.000 0.449 188 I N -0.130 120.375 120.570 -0.109 0.000 2.194 188 I HA -0.302 3.868 4.170 0.000 0.000 0.246 188 I C 2.772 178.901 176.117 0.019 0.000 1.093 188 I CA 1.900 63.161 61.300 -0.066 0.000 1.355 188 I CB -0.465 37.522 38.000 -0.022 0.000 1.046 188 I HN 0.268 nan 8.210 nan 0.000 0.413 189 R N 0.947 121.478 120.500 0.052 0.000 2.075 189 R HA -0.182 4.158 4.340 0.000 0.000 0.232 189 R C 1.784 178.189 176.300 0.176 0.000 1.126 189 R CA 1.870 58.074 56.100 0.172 0.000 0.963 189 R CB -0.176 30.183 30.300 0.099 0.000 0.858 189 R HN 0.306 nan 8.270 nan 0.000 0.435 190 D N 0.933 121.387 120.400 0.091 0.000 2.144 190 D HA -0.155 4.485 4.640 0.000 0.000 0.199 190 D C 1.781 178.147 176.300 0.110 0.000 0.984 190 D CA 1.537 55.605 54.000 0.113 0.000 0.834 190 D CB -0.141 40.697 40.800 0.063 0.000 0.955 190 D HN 0.536 nan 8.370 nan 0.000 0.465 191 I N -3.159 117.395 120.570 -0.025 0.000 3.684 191 I HA 0.262 4.432 4.170 0.000 0.000 0.304 191 I C 1.002 176.791 176.117 -0.548 0.000 1.278 191 I CA 0.610 61.829 61.300 -0.135 0.000 1.272 191 I CB -0.082 37.858 38.000 -0.100 0.000 1.029 191 I HN -0.000 nan 8.210 nan 0.000 0.458 192 G N 1.947 110.294 108.800 -0.756 0.000 2.225 192 G HA2 -0.155 3.805 3.960 0.000 0.000 0.264 192 G HA3 -0.155 3.805 3.960 0.000 0.000 0.264 192 G C 0.181 174.529 174.900 -0.922 0.000 1.060 192 G CA 0.193 44.265 45.100 -1.715 0.000 0.833 192 G HN 0.952 nan 8.290 nan 0.000 0.498 193 A N -0.996 121.669 122.820 -0.260 0.000 2.261 193 A HA 0.895 5.215 4.320 0.000 0.000 0.323 193 A C 0.102 177.807 177.584 0.202 0.000 1.107 193 A CA -0.764 51.293 52.037 0.034 0.000 0.883 193 A CB 0.850 20.021 19.000 0.285 0.000 1.251 193 A HN 0.717 nan 8.150 nan 0.000 0.502 194 I N 0.938 121.625 120.570 0.195 0.000 2.325 194 I HA 0.387 4.557 4.170 0.000 0.000 0.291 194 I C 0.803 177.021 176.117 0.168 0.000 1.019 194 I CA 0.484 61.888 61.300 0.174 0.000 1.302 194 I CB 1.439 39.495 38.000 0.094 0.000 1.401 194 I HN 0.582 nan 8.210 nan 0.000 0.485 195 A N 7.336 130.241 122.820 0.141 0.000 2.539 195 A HA 0.333 4.653 4.320 0.000 0.000 0.306 195 A C 0.134 177.786 177.584 0.113 0.000 1.392 195 A CA -0.396 51.704 52.037 0.105 0.000 1.060 195 A CB -0.387 18.643 19.000 0.050 0.000 1.134 195 A HN 0.727 nan 8.150 nan 0.000 0.542 196 Q N 0.764 120.609 119.800 0.074 0.000 2.260 196 Q HA 0.590 4.930 4.340 0.000 0.000 0.242 196 Q C -0.777 175.249 176.000 0.043 0.000 0.932 196 Q CA -0.345 55.501 55.803 0.072 0.000 0.891 196 Q CB 1.922 30.592 28.738 -0.113 0.000 1.222 196 Q HN 0.502 nan 8.270 nan 0.000 0.453 197 V N 0.991 120.947 119.914 0.071 0.000 2.971 197 V HA 0.156 4.276 4.120 0.000 0.000 0.309 197 V C -0.870 175.239 176.094 0.024 0.000 1.130 197 V CA -0.874 61.437 62.300 0.019 0.000 0.964 197 V CB 2.021 33.866 31.823 0.037 0.000 1.029 197 V HN 0.748 nan 8.190 nan 0.000 0.427 198 H N 3.737 122.741 119.070 -0.111 0.000 2.685 198 H HA 0.662 5.219 4.556 0.000 0.000 0.286 198 H C -0.382 174.979 175.328 0.055 0.000 1.102 198 H CA -0.176 55.861 56.048 -0.019 0.000 1.254 198 H CB 1.244 30.976 29.762 -0.051 0.000 1.397 198 H HN 0.778 nan 8.280 nan 0.000 0.473 199 A N 5.805 128.579 122.820 -0.076 0.000 2.412 199 A HA 0.438 4.758 4.320 0.000 0.000 0.334 199 A C -0.361 177.212 177.584 -0.019 0.000 1.419 199 A CA -0.577 51.467 52.037 0.011 0.000 0.930 199 A CB 0.308 19.305 19.000 -0.005 0.000 1.149 199 A HN 0.822 nan 8.150 nan 0.000 0.515 200 E N 1.039 121.278 120.200 0.066 0.000 2.393 200 E HA 0.213 4.563 4.350 0.000 0.000 0.273 200 E C -0.968 175.651 176.600 0.032 0.000 0.918 200 E CA -1.067 55.349 56.400 0.027 0.000 0.773 200 E CB 1.540 31.253 29.700 0.020 0.000 1.275 200 E HN 0.524 nan 8.360 nan 0.000 0.451 201 N N 1.148 119.851 118.700 0.005 0.000 2.448 201 N HA 0.050 4.790 4.740 0.000 0.000 0.250 201 N C 0.655 176.160 175.510 -0.008 0.000 1.136 201 N CA 0.089 53.143 53.050 0.007 0.000 0.953 201 N CB 0.909 39.396 38.487 0.001 0.000 1.251 201 N HN 0.762 nan 8.380 nan 0.000 0.502 202 G N 2.439 111.238 108.800 -0.002 0.000 2.498 202 G HA2 -0.224 3.736 3.960 0.000 0.000 0.219 202 G HA3 -0.224 3.736 3.960 0.000 0.000 0.219 202 G C 0.985 175.880 174.900 -0.008 0.000 1.119 202 G CA 0.403 45.489 45.100 -0.024 0.000 0.766 202 G HN 0.481 nan 8.290 nan 0.000 0.552 203 D N 0.088 120.492 120.400 0.006 0.000 2.183 203 D HA 0.056 4.696 4.640 0.000 0.000 0.205 203 D C 2.513 178.814 176.300 0.001 0.000 0.962 203 D CA 0.168 54.172 54.000 0.008 0.000 0.849 203 D CB 0.030 40.839 40.800 0.015 0.000 0.978 203 D HN 0.345 nan 8.370 nan 0.000 0.488 204 I N 0.375 120.943 120.570 -0.003 0.000 2.286 204 I HA -0.153 4.017 4.170 0.000 0.000 0.245 204 I C 2.150 178.261 176.117 -0.010 0.000 1.104 204 I CA 0.571 61.867 61.300 -0.006 0.000 1.397 204 I CB -0.056 37.938 38.000 -0.009 0.000 1.072 204 I HN -0.046 nan 8.210 nan 0.000 0.417 205 I N 0.981 121.539 120.570 -0.020 0.000 2.194 205 I HA -0.350 3.820 4.170 0.000 0.000 0.246 205 I C 2.774 178.887 176.117 -0.007 0.000 1.093 205 I CA 1.546 62.830 61.300 -0.027 0.000 1.355 205 I CB -0.429 37.537 38.000 -0.057 0.000 1.046 205 I HN 0.218 nan 8.210 nan 0.000 0.413 206 A N 0.175 122.991 122.820 -0.007 0.000 1.898 206 A HA -0.183 4.137 4.320 0.000 0.000 0.216 206 A C 2.230 179.817 177.584 0.005 0.000 1.181 206 A CA 1.425 53.462 52.037 -0.000 0.000 0.620 206 A CB -0.400 18.599 19.000 -0.000 0.000 0.819 206 A HN 0.336 nan 8.150 nan 0.000 0.442 207 E N 0.019 120.222 120.200 0.005 0.000 2.110 207 E HA -0.149 4.201 4.350 0.000 0.000 0.193 207 E C 1.888 178.497 176.600 0.016 0.000 0.988 207 E CA 1.038 57.443 56.400 0.008 0.000 0.804 207 E CB -0.235 29.469 29.700 0.006 0.000 0.745 207 E HN 0.595 nan 8.360 nan 0.000 0.458 208 E N 0.835 121.047 120.200 0.019 0.000 2.076 208 E HA -0.086 4.264 4.350 0.000 0.000 0.190 208 E C 2.132 178.776 176.600 0.073 0.000 0.979 208 E CA 0.432 56.850 56.400 0.030 0.000 0.807 208 E CB -0.115 29.590 29.700 0.009 0.000 0.761 208 E HN 0.363 nan 8.360 nan 0.000 0.454 209 Q N 0.394 120.248 119.800 0.090 0.000 2.014 209 Q HA -0.187 4.153 4.340 0.000 0.000 0.207 209 Q C 2.110 178.159 176.000 0.081 0.000 0.993 209 Q CA 1.305 57.198 55.803 0.150 0.000 0.850 209 Q CB -0.061 28.715 28.738 0.062 0.000 0.916 209 Q HN 0.131 nan 8.270 nan 0.000 0.417 210 Q N -0.119 119.695 119.800 0.023 0.000 2.488 210 Q HA -0.080 4.260 4.340 0.000 0.000 0.211 210 Q C 1.660 177.675 176.000 0.025 0.000 0.967 210 Q CA 0.788 56.594 55.803 0.004 0.000 0.926 210 Q CB 0.072 28.805 28.738 -0.009 0.000 0.992 210 Q HN 0.268 nan 8.270 nan 0.000 0.506 211 R N -0.383 120.143 120.500 0.043 0.000 2.105 211 R HA 0.025 4.365 4.340 0.000 0.000 0.214 211 R C 1.914 178.252 176.300 0.064 0.000 1.091 211 R CA 0.220 56.345 56.100 0.042 0.000 1.007 211 R CB 0.229 30.549 30.300 0.033 0.000 0.912 211 R HN 0.105 nan 8.270 nan 0.000 0.450 212 I N 1.636 122.268 120.570 0.102 0.000 2.226 212 I HA -0.257 3.913 4.170 0.000 0.000 0.245 212 I C 2.323 178.541 176.117 0.169 0.000 1.100 212 I CA 1.220 62.602 61.300 0.137 0.000 1.374 212 I CB -0.963 37.144 38.000 0.179 0.000 1.057 212 I HN 0.263 nan 8.210 nan 0.000 0.413 213 L N 0.375 121.697 121.223 0.166 0.000 2.017 213 L HA -0.245 4.095 4.340 0.000 0.000 0.208 213 L C 2.187 179.092 176.870 0.058 0.000 1.073 213 L CA 1.444 56.342 54.840 0.096 0.000 0.745 213 L CB -0.786 41.267 42.059 -0.011 0.000 0.894 213 L HN 0.196 nan 8.230 nan 0.000 0.432 214 D N 0.040 120.464 120.400 0.041 0.000 2.228 214 D HA -0.170 4.470 4.640 0.000 0.000 0.203 214 D C 1.912 178.233 176.300 0.035 0.000 0.988 214 D CA 1.127 55.145 54.000 0.029 0.000 0.864 214 D CB -0.082 40.731 40.800 0.022 0.000 0.928 214 D HN 0.156 nan 8.370 nan 0.000 0.469 215 L N -0.647 120.605 121.223 0.049 0.000 2.599 215 L HA 0.198 4.538 4.340 0.000 0.000 0.230 215 L C 1.673 178.574 176.870 0.052 0.000 1.141 215 L CA 0.627 55.495 54.840 0.047 0.000 0.877 215 L CB -0.356 41.734 42.059 0.050 0.000 1.009 215 L HN 0.169 nan 8.230 nan 0.000 0.447 216 G N -0.055 108.780 108.800 0.059 0.000 2.143 216 G HA2 -0.302 3.658 3.960 0.000 0.000 0.248 216 G HA3 -0.302 3.658 3.960 0.000 0.000 0.248 216 G C 0.416 175.365 174.900 0.082 0.000 0.991 216 G CA 0.210 45.347 45.100 0.061 0.000 0.689 216 G HN 0.316 nan 8.290 nan 0.000 0.522 217 I N 2.321 122.954 120.570 0.105 0.000 2.256 217 I HA 0.265 4.435 4.170 0.000 0.000 0.294 217 I C 1.699 177.956 176.117 0.232 0.000 1.127 217 I CA 0.405 61.776 61.300 0.119 0.000 1.247 217 I CB 0.848 38.888 38.000 0.066 0.000 1.460 217 I HN 0.236 nan 8.210 nan 0.000 0.511 218 T N 0.422 115.107 114.554 0.218 0.000 3.044 218 T HA 0.169 4.519 4.350 0.000 0.000 0.250 218 T C 1.030 175.957 174.700 0.378 0.000 1.081 218 T CA -0.138 62.141 62.100 0.299 0.000 1.040 218 T CB 0.142 69.103 68.868 0.156 0.000 0.962 218 T HN 0.497 nan 8.240 nan 0.000 0.506 219 G N 2.180 111.122 108.800 0.236 0.000 2.634 219 G HA2 0.422 4.382 3.960 0.000 0.000 0.255 219 G HA3 0.422 4.382 3.960 0.000 0.000 0.255 219 G C -1.642 173.265 174.900 0.011 0.000 1.205 219 G CA -1.370 43.843 45.100 0.188 0.000 0.884 219 G HN 0.024 nan 8.290 nan 0.000 0.549 220 P HA -0.110 nan 4.420 nan 0.000 0.219 220 P C 1.855 178.868 177.300 -0.478 0.000 1.146 220 P CA 1.278 64.232 63.100 -0.243 0.000 0.808 220 P CB 0.188 31.686 31.700 -0.337 0.000 0.779 221 E N 0.177 120.024 120.200 -0.588 0.000 2.209 221 E HA -0.172 4.178 4.350 0.000 0.000 0.196 221 E C 2.084 178.160 176.600 -0.874 0.000 0.993 221 E CA 1.944 57.746 56.400 -0.995 0.000 0.819 221 E CB -1.748 27.154 29.700 -1.331 0.000 0.745 221 E HN 0.219 nan 8.360 nan 0.000 0.477 222 G N 0.530 108.826 108.800 -0.841 0.000 2.450 222 G HA2 -0.345 3.615 3.960 0.000 0.000 0.220 222 G HA3 -0.345 3.615 3.960 0.000 0.000 0.220 222 G C 1.467 175.372 174.900 -1.659 0.000 1.130 222 G CA 1.131 45.477 45.100 -1.256 0.000 0.760 222 G HN 0.499 nan 8.290 nan 0.000 0.557 223 H N -0.074 118.105 119.070 -1.486 0.000 2.293 223 H HA -0.016 4.540 4.556 0.000 0.000 0.300 223 H C 2.516 177.478 175.328 -0.610 0.000 1.082 223 H CA 1.833 57.426 56.048 -0.758 0.000 1.308 223 H CB -0.402 29.099 29.762 -0.436 0.000 1.375 223 H HN 0.086 nan 8.280 nan 0.000 0.495 224 V N 0.229 119.623 119.914 -0.867 0.000 2.453 224 V HA -0.121 3.999 4.120 0.000 0.000 0.247 224 V C 2.300 178.134 176.094 -0.435 0.000 1.048 224 V CA 1.619 63.485 62.300 -0.723 0.000 1.049 224 V CB -0.467 30.845 31.823 -0.852 0.000 0.672 224 V HN 0.491 nan 8.190 nan 0.000 0.457 225 L N 0.726 121.693 121.223 -0.426 0.000 2.362 225 L HA -0.071 4.269 4.340 0.000 0.000 0.219 225 L C 2.384 179.144 176.870 -0.184 0.000 1.134 225 L CA 1.600 56.309 54.840 -0.219 0.000 0.807 225 L CB -0.446 41.507 42.059 -0.177 0.000 0.927 225 L HN 0.603 nan 8.230 nan 0.000 0.447 226 S N -1.112 114.441 115.700 -0.246 0.000 2.511 226 S HA 0.090 4.560 4.470 0.000 0.000 0.214 226 S C 1.124 175.640 174.600 -0.139 0.000 0.997 226 S CA -0.486 57.637 58.200 -0.127 0.000 0.908 226 S CB 0.202 63.393 63.200 -0.015 0.000 0.803 226 S HN 0.366 nan 8.310 nan 0.000 0.504 227 R N 2.548 122.913 120.500 -0.225 0.000 3.194 227 R HA 0.376 4.716 4.340 0.000 0.000 0.306 227 R C -2.893 173.325 176.300 -0.136 0.000 1.347 227 R CA -1.688 54.302 56.100 -0.184 0.000 1.540 227 R CB 0.397 30.541 30.300 -0.259 0.000 1.352 227 R HN 0.393 nan 8.270 nan 0.000 0.621 228 P HA -0.036 nan 4.420 nan 0.000 0.272 228 P C 0.410 177.684 177.300 -0.042 0.000 1.230 228 P CA -0.066 63.000 63.100 -0.057 0.000 0.788 228 P CB 0.797 32.473 31.700 -0.040 0.000 0.949 229 E N 0.845 121.029 120.200 -0.026 0.000 2.267 229 E HA -0.249 4.101 4.350 0.000 0.000 0.197 229 E C 0.912 177.496 176.600 -0.026 0.000 0.998 229 E CA 1.273 57.660 56.400 -0.022 0.000 0.830 229 E CB -0.460 29.231 29.700 -0.015 0.000 0.751 229 E HN 0.356 nan 8.360 nan 0.000 0.491 230 E N 0.789 120.973 120.200 -0.028 0.000 2.160 230 E HA -0.127 4.223 4.350 0.000 0.000 0.195 230 E C 1.986 178.572 176.600 -0.023 0.000 0.991 230 E CA 0.998 57.382 56.400 -0.026 0.000 0.810 230 E CB -0.065 29.620 29.700 -0.025 0.000 0.742 230 E HN 0.146 nan 8.360 nan 0.000 0.466 231 V N 0.491 120.389 119.914 -0.027 0.000 2.488 231 V HA -0.186 3.934 4.120 0.000 0.000 0.246 231 V C 2.258 178.339 176.094 -0.022 0.000 1.046 231 V CA 1.672 63.957 62.300 -0.025 0.000 1.053 231 V CB -0.141 31.662 31.823 -0.035 0.000 0.679 231 V HN 0.305 nan 8.190 nan 0.000 0.458 232 E N 0.405 120.589 120.200 -0.027 0.000 2.017 232 E HA -0.222 4.128 4.350 0.000 0.000 0.193 232 E C 2.239 178.827 176.600 -0.020 0.000 0.997 232 E CA 1.477 57.860 56.400 -0.027 0.000 0.804 232 E CB -0.233 29.450 29.700 -0.029 0.000 0.757 232 E HN 0.530 nan 8.360 nan 0.000 0.448 233 A N 1.545 124.354 122.820 -0.018 0.000 1.940 233 A HA -0.231 4.089 4.320 0.000 0.000 0.219 233 A C 2.118 179.695 177.584 -0.012 0.000 1.176 233 A CA 1.703 53.731 52.037 -0.015 0.000 0.631 233 A CB -0.600 18.388 19.000 -0.019 0.000 0.814 233 A HN 0.377 nan 8.150 nan 0.000 0.446 234 E N 0.559 120.752 120.200 -0.011 0.000 2.017 234 E HA -0.171 4.179 4.350 0.000 0.000 0.193 234 E C 2.277 178.876 176.600 -0.001 0.000 0.997 234 E CA 1.497 57.893 56.400 -0.007 0.000 0.804 234 E CB -0.537 29.159 29.700 -0.006 0.000 0.757 234 E HN 0.433 nan 8.360 nan 0.000 0.448 235 A N 0.937 123.758 122.820 0.002 0.000 1.917 235 A HA -0.188 4.132 4.320 0.000 0.000 0.219 235 A C 2.648 180.238 177.584 0.009 0.000 1.182 235 A CA 2.126 54.171 52.037 0.013 0.000 0.633 235 A CB -0.902 18.110 19.000 0.021 0.000 0.819 235 A HN 0.222 nan 8.150 nan 0.000 0.448 236 V N 0.969 120.882 119.914 -0.001 0.000 2.295 236 V HA -0.276 3.844 4.120 0.000 0.000 0.246 236 V C 2.480 178.571 176.094 -0.006 0.000 1.049 236 V CA 2.123 64.420 62.300 -0.005 0.000 1.024 236 V CB -1.014 30.803 31.823 -0.011 0.000 0.648 236 V HN 0.780 nan 8.190 nan 0.000 0.447 237 N N 0.344 119.040 118.700 -0.006 0.000 2.104 237 N HA -0.252 4.488 4.740 0.000 0.000 0.190 237 N C 2.149 177.658 175.510 -0.003 0.000 1.024 237 N CA 1.816 54.861 53.050 -0.007 0.000 0.853 237 N CB -0.019 38.463 38.487 -0.008 0.000 1.008 237 N HN 0.437 nan 8.380 nan 0.000 0.424 238 R N 0.472 120.973 120.500 0.003 0.000 2.075 238 R HA -0.035 4.305 4.340 0.000 0.000 0.232 238 R C 2.279 178.587 176.300 0.013 0.000 1.126 238 R CA 1.367 57.473 56.100 0.010 0.000 0.963 238 R CB -0.284 30.024 30.300 0.014 0.000 0.858 238 R HN 0.232 nan 8.270 nan 0.000 0.435 239 A N 1.134 123.961 122.820 0.012 0.000 1.883 239 A HA -0.166 4.154 4.320 0.000 0.000 0.217 239 A C 2.172 179.757 177.584 0.002 0.000 1.186 239 A CA 1.592 53.636 52.037 0.011 0.000 0.624 239 A CB -0.618 18.390 19.000 0.015 0.000 0.822 239 A HN 0.382 nan 8.150 nan 0.000 0.444 240 I N -0.241 120.325 120.570 -0.007 0.000 2.208 240 I HA -0.273 3.897 4.170 0.000 0.000 0.245 240 I C 2.600 178.708 176.117 -0.014 0.000 1.097 240 I CA 1.829 63.117 61.300 -0.020 0.000 1.363 240 I CB -0.617 37.365 38.000 -0.029 0.000 1.051 240 I HN 0.301 nan 8.210 nan 0.000 0.413 241 T N 1.138 115.690 114.554 -0.003 0.000 2.684 241 T HA -0.159 4.191 4.350 0.000 0.000 0.267 241 T C 1.878 176.593 174.700 0.026 0.000 1.036 241 T CA 1.541 63.645 62.100 0.007 0.000 1.148 241 T CB -0.301 68.573 68.868 0.011 0.000 0.863 241 T HN 0.275 nan 8.240 nan 0.000 0.436 242 I N 1.315 121.907 120.570 0.036 0.000 2.252 242 I HA -0.120 4.050 4.170 0.000 0.000 0.245 242 I C 2.947 179.078 176.117 0.025 0.000 1.102 242 I CA 1.000 62.343 61.300 0.071 0.000 1.385 242 I CB -0.511 37.532 38.000 0.073 0.000 1.064 242 I HN 0.186 nan 8.210 nan 0.000 0.414 243 A N 0.819 123.633 122.820 -0.009 0.000 1.933 243 A HA -0.194 4.126 4.320 0.000 0.000 0.218 243 A C 2.090 179.647 177.584 -0.044 0.000 1.175 243 A CA 1.768 53.782 52.037 -0.039 0.000 0.628 243 A CB -0.542 18.435 19.000 -0.037 0.000 0.814 243 A HN 0.388 nan 8.150 nan 0.000 0.444 244 N N -0.650 118.033 118.700 -0.028 0.000 2.250 244 N HA -0.075 4.665 4.740 0.000 0.000 0.181 244 N C 1.709 177.212 175.510 -0.011 0.000 1.017 244 N CA 0.947 53.979 53.050 -0.030 0.000 0.866 244 N CB -0.222 38.249 38.487 -0.026 0.000 0.985 244 N HN 0.357 nan 8.380 nan 0.000 0.429 245 Q N -0.266 119.546 119.800 0.020 0.000 2.297 245 Q HA 0.071 4.411 4.340 0.000 0.000 0.204 245 Q C 1.136 177.164 176.000 0.046 0.000 0.962 245 Q CA 0.845 56.685 55.803 0.062 0.000 0.879 245 Q CB -0.269 28.547 28.738 0.130 0.000 0.947 245 Q HN 0.253 nan 8.270 nan 0.000 0.462 246 T N 0.391 114.923 114.554 -0.037 0.000 3.040 246 T HA 0.016 4.366 4.350 0.000 0.000 0.250 246 T C 0.324 174.962 174.700 -0.104 0.000 1.058 246 T CA 0.072 62.076 62.100 -0.160 0.000 0.988 246 T CB -0.010 68.662 68.868 -0.326 0.000 0.993 246 T HN 0.301 nan 8.240 nan 0.000 0.519 247 N N 1.039 119.699 118.700 -0.067 0.000 2.727 247 N HA -0.169 4.571 4.740 0.000 0.000 0.249 247 N C -0.743 174.720 175.510 -0.078 0.000 1.048 247 N CA 0.343 53.355 53.050 -0.064 0.000 0.714 247 N CB -1.903 36.560 38.487 -0.040 0.000 0.959 247 N HN 0.456 nan 8.380 nan 0.000 0.544 248 C N 1.336 120.584 119.300 -0.086 0.000 2.379 248 C HA 0.678 5.138 4.460 0.000 0.000 0.323 248 C C -2.248 172.690 174.990 -0.086 0.000 1.262 248 C CA -1.753 57.220 59.018 -0.075 0.000 1.581 248 C CB 0.888 28.590 27.740 -0.064 0.000 2.221 248 C HN 0.409 nan 8.230 nan 0.000 0.497 249 P HA 0.291 nan 4.420 nan 0.000 0.271 249 P C -0.968 176.355 177.300 0.039 0.000 1.220 249 P CA -0.029 63.030 63.100 -0.069 0.000 0.768 249 P CB 0.860 32.493 31.700 -0.112 0.000 0.848 250 L N 4.929 126.184 121.223 0.053 0.000 2.333 250 L HA 0.674 5.014 4.340 0.000 0.000 0.269 250 L C -1.457 175.540 176.870 0.212 0.000 1.010 250 L CA -1.073 53.825 54.840 0.095 0.000 0.818 250 L CB 1.765 43.837 42.059 0.021 0.000 1.306 250 L HN 0.297 nan 8.230 nan 0.000 0.430 251 Y N 4.630 124.975 120.300 0.075 0.000 2.361 251 Y HA 0.584 5.134 4.550 0.001 0.000 0.328 251 Y C -1.354 174.586 175.900 0.067 0.000 1.044 251 Y CA -1.135 57.035 58.100 0.117 0.000 1.085 251 Y CB 1.254 39.792 38.460 0.130 0.000 1.194 251 Y HN 0.415 nan 8.280 nan 0.000 0.438 252 I N 6.482 127.044 120.570 -0.012 0.000 2.297 252 I HA 0.172 4.342 4.170 0.000 0.000 0.291 252 I C 0.507 176.639 176.117 0.025 0.000 1.033 252 I CA -0.349 60.962 61.300 0.019 0.000 1.253 252 I CB 0.857 38.838 38.000 -0.031 0.000 1.396 252 I HN 0.736 nan 8.210 nan 0.000 0.476 253 T N 3.113 117.789 114.554 0.203 0.000 2.898 253 T HA 0.236 4.586 4.350 0.000 0.000 0.301 253 T C 0.437 175.221 174.700 0.141 0.000 1.049 253 T CA -0.579 61.686 62.100 0.275 0.000 1.095 253 T CB 0.542 69.587 68.868 0.294 0.000 0.976 253 T HN 0.601 nan 8.240 nan 0.000 0.539 254 K N 0.156 120.663 120.400 0.179 0.000 3.653 254 K HA -0.099 4.221 4.320 0.000 0.000 0.275 254 K C -0.550 176.079 176.600 0.048 0.000 0.962 254 K CA 0.008 56.352 56.287 0.095 0.000 0.773 254 K CB -1.983 30.558 32.500 0.068 0.000 1.463 254 K HN 0.528 nan 8.250 nan 0.000 0.450 255 V N 2.874 122.820 119.914 0.053 0.000 2.415 255 V HA 0.012 4.132 4.120 0.000 0.000 0.267 255 V C 1.246 177.380 176.094 0.066 0.000 1.042 255 V CA 0.186 62.510 62.300 0.041 0.000 1.000 255 V CB 1.037 32.881 31.823 0.034 0.000 1.015 255 V HN 0.419 nan 8.190 nan 0.000 0.478 256 M N 2.947 122.584 119.600 0.062 0.000 2.449 256 M HA 0.193 4.673 4.480 0.000 0.000 0.262 256 M C 0.798 177.151 176.300 0.088 0.000 1.152 256 M CA 0.422 55.773 55.300 0.086 0.000 1.104 256 M CB 0.208 32.862 32.600 0.089 0.000 1.416 256 M HN 0.712 nan 8.290 nan 0.000 0.519 257 S N -0.663 115.075 115.700 0.063 0.000 2.634 257 S HA 0.520 4.990 4.470 0.000 0.000 0.296 257 S C 0.592 175.211 174.600 0.031 0.000 1.104 257 S CA -0.742 57.483 58.200 0.041 0.000 0.920 257 S CB 2.631 65.837 63.200 0.010 0.000 1.111 257 S HN 0.088 nan 8.310 nan 0.000 0.493 258 K N 1.028 121.397 120.400 -0.053 0.000 2.057 258 K HA -0.026 4.294 4.320 0.000 0.000 0.207 258 K C 2.266 178.769 176.600 -0.162 0.000 1.049 258 K CA 1.555 57.704 56.287 -0.229 0.000 0.931 258 K CB -0.493 31.624 32.500 -0.639 0.000 0.714 258 K HN 0.510 nan 8.250 nan 0.000 0.440 259 S N 0.633 116.262 115.700 -0.119 0.000 2.365 259 S HA -0.192 4.278 4.470 0.000 0.000 0.225 259 S C 2.108 176.694 174.600 -0.023 0.000 1.039 259 S CA 1.996 60.153 58.200 -0.073 0.000 1.033 259 S CB -0.274 62.893 63.200 -0.055 0.000 0.887 259 S HN 0.528 nan 8.310 nan 0.000 0.447 260 S N 1.315 117.012 115.700 -0.004 0.000 2.425 260 S HA 0.246 4.716 4.470 0.000 0.000 0.225 260 S C 2.036 176.654 174.600 0.030 0.000 1.024 260 S CA 0.690 58.895 58.200 0.007 0.000 0.951 260 S CB -0.451 62.751 63.200 0.002 0.000 0.796 260 S HN 0.481 nan 8.310 nan 0.000 0.498 261 A N 2.138 125.000 122.820 0.070 0.000 1.908 261 A HA -0.126 4.194 4.320 0.000 0.000 0.218 261 A C 2.172 179.836 177.584 0.133 0.000 1.181 261 A CA 1.978 54.086 52.037 0.118 0.000 0.627 261 A CB -0.931 18.202 19.000 0.222 0.000 0.818 261 A HN 0.608 nan 8.150 nan 0.000 0.445 262 E N 0.020 120.313 120.200 0.155 0.000 2.106 262 E HA -0.102 4.248 4.350 0.000 0.000 0.192 262 E C 1.737 178.369 176.600 0.052 0.000 0.984 262 E CA 1.501 57.980 56.400 0.132 0.000 0.806 262 E CB -0.490 29.269 29.700 0.098 0.000 0.750 262 E HN 0.234 nan 8.360 nan 0.000 0.458 263 V N 0.751 120.680 119.914 0.025 0.000 2.332 263 V HA -0.273 3.847 4.120 0.000 0.000 0.248 263 V C 2.405 178.494 176.094 -0.008 0.000 1.055 263 V CA 1.968 64.269 62.300 0.002 0.000 1.038 263 V CB -0.471 31.349 31.823 -0.005 0.000 0.651 263 V HN 0.313 nan 8.190 nan 0.000 0.450 264 I N 0.271 120.837 120.570 -0.007 0.000 2.142 264 I HA -0.232 3.938 4.170 0.000 0.000 0.240 264 I C 2.691 178.784 176.117 -0.040 0.000 1.078 264 I CA 1.509 62.789 61.300 -0.034 0.000 1.343 264 I CB -0.666 37.311 38.000 -0.038 0.000 1.046 264 I HN 0.268 nan 8.210 nan 0.000 0.405 265 A N 0.222 123.034 122.820 -0.013 0.000 1.892 265 A HA -0.276 4.044 4.320 0.000 0.000 0.218 265 A C 2.277 179.846 177.584 -0.026 0.000 1.188 265 A CA 1.707 53.733 52.037 -0.018 0.000 0.631 265 A CB -0.599 18.409 19.000 0.013 0.000 0.822 265 A HN 0.429 nan 8.150 nan 0.000 0.447 266 Q N -0.762 119.030 119.800 -0.013 0.000 2.119 266 Q HA -0.068 4.272 4.340 0.000 0.000 0.201 266 Q C 2.420 178.399 176.000 -0.035 0.000 0.972 266 Q CA 1.550 57.342 55.803 -0.018 0.000 0.847 266 Q CB -0.780 27.953 28.738 -0.009 0.000 0.903 266 Q HN 0.678 nan 8.270 nan 0.000 0.433 267 A N 1.223 124.017 122.820 -0.044 0.000 1.972 267 A HA -0.176 4.144 4.320 0.000 0.000 0.219 267 A C 2.163 179.698 177.584 -0.082 0.000 1.169 267 A CA 1.166 53.168 52.037 -0.059 0.000 0.635 267 A CB -0.365 18.596 19.000 -0.064 0.000 0.810 267 A HN 0.236 nan 8.150 nan 0.000 0.446 268 R N -0.009 120.435 120.500 -0.094 0.000 2.092 268 R HA -0.130 4.210 4.340 0.000 0.000 0.231 268 R C 2.240 178.483 176.300 -0.094 0.000 1.119 268 R CA 1.593 57.622 56.100 -0.119 0.000 0.970 268 R CB -0.299 29.925 30.300 -0.126 0.000 0.864 268 R HN 0.759 nan 8.270 nan 0.000 0.440 269 K N 1.137 121.496 120.400 -0.069 0.000 2.365 269 K HA -0.070 4.250 4.320 0.000 0.000 0.199 269 K C 1.100 177.668 176.600 -0.053 0.000 1.045 269 K CA 1.208 57.461 56.287 -0.056 0.000 0.962 269 K CB 0.172 32.647 32.500 -0.042 0.000 0.759 269 K HN 0.029 nan 8.250 nan 0.000 0.469 270 K N 0.021 120.388 120.400 -0.055 0.000 2.404 270 K HA 0.092 4.412 4.320 0.000 0.000 0.194 270 K C 0.564 177.127 176.600 -0.061 0.000 1.023 270 K CA 0.535 56.792 56.287 -0.050 0.000 1.094 270 K CB 0.696 33.170 32.500 -0.043 0.000 0.841 270 K HN 0.511 nan 8.250 nan 0.000 0.523 271 G N 1.288 110.040 108.800 -0.080 0.000 2.184 271 G HA2 -0.209 3.751 3.960 0.000 0.000 0.206 271 G HA3 -0.209 3.751 3.960 0.000 0.000 0.206 271 G C 0.190 175.020 174.900 -0.117 0.000 0.995 271 G CA -0.274 44.770 45.100 -0.093 0.000 0.651 271 G HN 0.232 nan 8.290 nan 0.000 0.511 272 T N 1.551 116.033 114.554 -0.120 0.000 2.871 272 T HA 0.344 4.694 4.350 0.000 0.000 0.296 272 T C 0.881 175.454 174.700 -0.211 0.000 0.998 272 T CA 0.250 62.266 62.100 -0.140 0.000 1.162 272 T CB 1.845 70.642 68.868 -0.119 0.000 0.947 272 T HN 0.462 nan 8.240 nan 0.000 0.536 273 V N 5.697 125.478 119.914 -0.223 0.000 2.287 273 V HA 0.267 4.387 4.120 0.000 0.000 0.246 273 V C 0.243 176.126 176.094 -0.351 0.000 1.165 273 V CA -0.063 62.046 62.300 -0.319 0.000 1.088 273 V CB 0.015 31.692 31.823 -0.243 0.000 1.242 273 V HN 0.650 nan 8.190 nan 0.000 0.497 274 V N 6.459 126.068 119.914 -0.510 0.000 2.733 274 V HA 0.622 4.742 4.120 0.000 0.000 0.306 274 V C -1.572 174.147 176.094 -0.626 0.000 1.084 274 V CA -0.536 61.530 62.300 -0.391 0.000 0.905 274 V CB 2.366 34.065 31.823 -0.207 0.000 1.010 274 V HN 0.653 nan 8.190 nan 0.000 0.424 275 Y N 3.820 124.053 120.300 -0.112 0.000 2.393 275 Y HA 0.800 5.350 4.550 -0.000 0.000 0.341 275 Y C 0.756 176.464 175.900 -0.320 0.000 0.988 275 Y CA -0.346 57.644 58.100 -0.184 0.000 1.078 275 Y CB 2.358 40.722 38.460 -0.160 0.000 1.203 275 Y HN 0.769 nan 8.280 nan 0.000 0.453 276 G N 1.290 110.010 108.800 -0.134 0.000 2.388 276 G HA2 0.471 4.431 3.960 0.000 0.000 0.330 276 G HA3 0.471 4.431 3.960 0.000 0.000 0.330 276 G C -1.263 173.524 174.900 -0.188 0.000 1.142 276 G CA -0.680 44.320 45.100 -0.167 0.000 0.908 276 G HN 0.605 nan 8.290 nan 0.000 0.473 277 E N 3.107 123.200 120.200 -0.178 0.000 2.489 277 E HA 0.295 4.645 4.350 0.000 0.000 0.232 277 E C -2.436 174.193 176.600 0.049 0.000 0.990 277 E CA -1.999 54.375 56.400 -0.044 0.000 0.768 277 E CB 1.971 31.693 29.700 0.036 0.000 1.270 277 E HN 0.251 nan 8.360 nan 0.000 0.423 278 P HA 0.170 nan 4.420 nan 0.000 0.274 278 P C -0.088 177.273 177.300 0.101 0.000 1.246 278 P CA -0.067 63.081 63.100 0.080 0.000 0.795 278 P CB 0.828 32.573 31.700 0.076 0.000 1.006 279 I N -3.673 116.963 120.570 0.109 0.000 3.002 279 I HA 0.436 4.606 4.170 0.000 0.000 0.310 279 I C 1.088 177.290 176.117 0.141 0.000 1.087 279 I CA -0.887 60.482 61.300 0.115 0.000 1.017 279 I CB 1.194 39.245 38.000 0.084 0.000 1.226 279 I HN 0.103 nan 8.210 nan 0.000 0.443 280 T N 1.789 116.439 114.554 0.160 0.000 2.680 280 T HA -0.282 4.068 4.350 0.000 0.000 0.268 280 T C 1.862 176.771 174.700 0.348 0.000 1.033 280 T CA 2.309 64.526 62.100 0.195 0.000 1.152 280 T CB -0.562 68.446 68.868 0.233 0.000 0.859 280 T HN 0.786 nan 8.240 nan 0.000 0.452 281 A N 1.887 124.929 122.820 0.370 0.000 1.908 281 A HA -0.143 4.177 4.320 0.000 0.000 0.218 281 A C 2.634 180.388 177.584 0.284 0.000 1.181 281 A CA 2.423 54.656 52.037 0.327 0.000 0.627 281 A CB -0.887 18.173 19.000 0.101 0.000 0.818 281 A HN 0.665 nan 8.150 nan 0.000 0.445 282 S N -0.589 115.237 115.700 0.210 0.000 2.425 282 S HA 0.094 4.564 4.470 0.000 0.000 0.225 282 S C 1.704 176.411 174.600 0.179 0.000 1.024 282 S CA 1.020 59.330 58.200 0.184 0.000 0.951 282 S CB -0.508 62.780 63.200 0.147 0.000 0.796 282 S HN 0.392 nan 8.310 nan 0.000 0.498 283 L N 0.871 122.193 121.223 0.165 0.000 2.478 283 L HA 0.248 4.588 4.340 0.000 0.000 0.223 283 L C 2.350 179.299 176.870 0.131 0.000 1.140 283 L CA 0.886 55.806 54.840 0.132 0.000 0.842 283 L CB -0.257 41.864 42.059 0.103 0.000 0.953 283 L HN 0.584 nan 8.230 nan 0.000 0.452 284 G N -2.367 106.546 108.800 0.189 0.000 2.692 284 G HA2 0.139 4.099 3.960 0.000 0.000 0.201 284 G HA3 0.139 4.099 3.960 0.000 0.000 0.201 284 G C 0.432 175.522 174.900 0.317 0.000 1.063 284 G CA 0.628 45.828 45.100 0.167 0.000 0.790 284 G HN 0.180 nan 8.290 nan 0.000 0.599 285 T N -0.298 114.490 114.554 0.391 0.000 2.612 285 T HA 0.522 4.872 4.350 0.000 0.000 0.296 285 T C -1.989 172.896 174.700 0.308 0.000 1.148 285 T CA 0.308 62.634 62.100 0.377 0.000 1.077 285 T CB 1.717 70.873 68.868 0.481 0.000 1.591 285 T HN 0.290 nan 8.240 nan 0.000 0.479 286 D N -1.652 118.939 120.400 0.318 0.000 2.664 286 D HA 0.524 5.164 4.640 0.000 0.000 0.292 286 D C 0.411 176.815 176.300 0.174 0.000 1.214 286 D CA -0.320 53.809 54.000 0.215 0.000 0.932 286 D CB 0.564 41.436 40.800 0.120 0.000 1.420 286 D HN 0.751 nan 8.370 nan 0.000 0.471 287 G N -1.192 107.694 108.800 0.144 0.000 3.523 287 G HA2 0.158 4.118 3.960 0.000 0.000 0.270 287 G HA3 0.158 4.118 3.960 0.000 0.000 0.270 287 G C 0.971 175.994 174.900 0.205 0.000 1.134 287 G CA 0.323 45.507 45.100 0.139 0.000 0.825 287 G HN 0.504 nan 8.290 nan 0.000 0.534 288 S N 0.079 115.758 115.700 -0.034 0.000 2.419 288 S HA -0.175 4.295 4.470 0.000 0.000 0.233 288 S C 1.771 176.277 174.600 -0.157 0.000 1.016 288 S CA 0.856 58.998 58.200 -0.095 0.000 0.974 288 S CB -0.543 62.471 63.200 -0.311 0.000 0.786 288 S HN 0.498 nan 8.310 nan 0.000 0.492 289 H N -0.397 118.464 119.070 -0.349 0.000 2.559 289 H HA 0.090 4.646 4.556 -0.000 0.000 0.273 289 H C 1.049 176.002 175.328 -0.625 0.000 1.000 289 H CA 0.855 56.507 56.048 -0.661 0.000 1.195 289 H CB -0.370 28.512 29.762 -1.468 0.000 1.368 289 H HN 0.536 nan 8.280 nan 0.000 0.592 290 Y N -0.840 119.316 120.300 -0.241 0.000 2.352 290 Y HA -0.162 4.388 4.550 -0.000 0.000 0.292 290 Y C 1.937 177.597 175.900 -0.400 0.000 1.136 290 Y CA 0.515 58.381 58.100 -0.391 0.000 1.227 290 Y CB -0.141 37.943 38.460 -0.628 0.000 0.991 290 Y HN 0.296 nan 8.280 nan 0.000 0.545 291 W N -0.317 120.963 121.300 -0.034 0.000 3.353 291 W HA 0.219 4.879 4.660 0.000 0.000 0.304 291 W C 0.956 177.445 176.519 -0.050 0.000 1.273 291 W CA 0.005 57.327 57.345 -0.039 0.000 1.773 291 W CB -0.184 29.249 29.460 -0.044 0.000 1.095 291 W HN -0.157 nan 8.180 nan 0.000 0.676 292 S N 1.569 117.321 115.700 0.086 0.000 2.558 292 S HA -0.055 4.415 4.470 0.000 0.000 0.291 292 S C 1.468 176.106 174.600 0.064 0.000 1.306 292 S CA 0.311 58.542 58.200 0.052 0.000 1.056 292 S CB 0.929 64.123 63.200 -0.010 0.000 0.836 292 S HN 0.108 nan 8.310 nan 0.000 0.504 293 K N 2.476 122.925 120.400 0.082 0.000 2.366 293 K HA -0.008 4.312 4.320 0.000 0.000 0.198 293 K C 0.414 177.080 176.600 0.110 0.000 1.044 293 K CA 0.164 56.509 56.287 0.096 0.000 0.973 293 K CB -0.352 32.200 32.500 0.086 0.000 0.767 293 K HN 0.521 nan 8.250 nan 0.000 0.475 294 N N 1.026 119.783 118.700 0.096 0.000 2.448 294 N HA -0.066 4.674 4.740 0.000 0.000 0.250 294 N C 0.485 176.050 175.510 0.093 0.000 1.136 294 N CA -0.167 52.951 53.050 0.114 0.000 0.953 294 N CB -0.050 38.503 38.487 0.110 0.000 1.251 294 N HN 0.151 nan 8.380 nan 0.000 0.502 295 W N 4.561 125.851 121.300 -0.017 0.000 2.304 295 W HA -0.291 4.370 4.660 0.001 0.000 0.315 295 W C 1.805 178.267 176.519 -0.095 0.000 1.233 295 W CA 2.319 59.643 57.345 -0.035 0.000 1.261 295 W CB -0.198 29.254 29.460 -0.013 0.000 1.150 295 W HN 0.638 nan 8.180 nan 0.000 0.494 296 A N -0.008 122.969 122.820 0.261 0.000 2.032 296 A HA -0.263 4.057 4.320 0.000 0.000 0.221 296 A C 1.964 179.133 177.584 -0.692 0.000 1.165 296 A CA 2.151 54.153 52.037 -0.058 0.000 0.645 296 A CB -0.848 18.177 19.000 0.042 0.000 0.807 296 A HN 0.487 nan 8.150 nan 0.000 0.453 297 K N -0.732 119.319 120.400 -0.581 0.000 2.067 297 K HA 0.147 4.467 4.320 0.000 0.000 0.203 297 K C 2.207 178.665 176.600 -0.237 0.000 1.048 297 K CA 0.900 56.898 56.287 -0.481 0.000 0.954 297 K CB -0.311 32.107 32.500 -0.137 0.000 0.737 297 K HN 0.291 nan 8.250 nan 0.000 0.444 298 A N 1.303 123.948 122.820 -0.292 0.000 1.908 298 A HA -0.146 4.174 4.320 0.000 0.000 0.218 298 A C 2.320 179.706 177.584 -0.330 0.000 1.181 298 A CA 2.019 53.869 52.037 -0.313 0.000 0.627 298 A CB -0.884 17.928 19.000 -0.314 0.000 0.818 298 A HN 0.488 nan 8.150 nan 0.000 0.445 299 A N -0.332 122.097 122.820 -0.653 0.000 1.969 299 A HA 0.212 4.532 4.320 0.000 0.000 0.218 299 A C 2.415 179.818 177.584 -0.301 0.000 1.169 299 A CA 1.776 53.411 52.037 -0.669 0.000 0.635 299 A CB -0.866 17.366 19.000 -1.280 0.000 0.810 299 A HN 1.103 nan 8.150 nan 0.000 0.445 300 A N -1.411 121.260 122.820 -0.249 0.000 2.024 300 A HA -0.010 4.310 4.320 0.000 0.000 0.220 300 A C 1.664 179.138 177.584 -0.184 0.000 1.164 300 A CA 1.316 53.249 52.037 -0.172 0.000 0.643 300 A CB -0.647 18.234 19.000 -0.197 0.000 0.806 300 A HN 0.476 nan 8.150 nan 0.000 0.451 301 F N -0.716 119.079 119.950 -0.257 0.000 2.789 301 F HA 0.146 4.673 4.527 -0.000 0.000 0.300 301 F C 0.721 176.524 175.800 0.005 0.000 1.132 301 F CA -0.045 57.798 58.000 -0.260 0.000 1.404 301 F CB 0.221 38.837 39.000 -0.640 0.000 1.114 301 F HN -0.153 nan 8.300 nan 0.000 0.584 302 V N 1.018 121.034 119.914 0.170 0.000 2.381 302 V HA 0.189 4.309 4.120 0.000 0.000 0.257 302 V C 0.406 176.485 176.094 -0.026 0.000 1.057 302 V CA 0.329 62.659 62.300 0.049 0.000 1.013 302 V CB 0.046 31.740 31.823 -0.215 0.000 1.069 302 V HN 0.178 nan 8.190 nan 0.000 0.484 303 T N 3.575 118.212 114.554 0.138 0.000 2.843 303 T HA 0.564 4.914 4.350 0.000 0.000 0.302 303 T C -0.787 174.161 174.700 0.413 0.000 1.232 303 T CA -0.366 61.858 62.100 0.208 0.000 1.009 303 T CB 2.020 70.986 68.868 0.165 0.000 1.254 303 T HN 0.475 nan 8.240 nan 0.000 0.504 304 S N 3.512 119.453 115.700 0.403 0.000 2.561 304 S HA 0.614 5.084 4.470 0.000 0.000 0.303 304 S C -2.696 172.145 174.600 0.402 0.000 1.110 304 S CA -0.935 57.530 58.200 0.441 0.000 1.034 304 S CB 1.720 65.243 63.200 0.538 0.000 1.010 304 S HN 0.566 nan 8.310 nan 0.000 0.482 305 P HA 0.196 nan 4.420 nan 0.000 0.269 305 P C -2.517 174.891 177.300 0.179 0.000 1.217 305 P CA -0.973 62.197 63.100 0.117 0.000 0.783 305 P CB -0.281 31.432 31.700 0.021 0.000 0.898 306 P HA 0.108 nan 4.420 nan 0.000 0.276 306 P C -0.421 177.047 177.300 0.279 0.000 1.252 306 P CA -0.227 63.028 63.100 0.257 0.000 0.802 306 P CB 0.398 32.130 31.700 0.054 0.000 1.035 307 L N 0.614 122.091 121.223 0.423 0.000 2.525 307 L HA 0.025 4.365 4.340 0.000 0.000 0.278 307 L C 1.293 178.368 176.870 0.342 0.000 1.218 307 L CA 0.825 55.874 54.840 0.349 0.000 0.878 307 L CB -0.627 41.638 42.059 0.343 0.000 1.127 307 L HN 0.498 nan 8.230 nan 0.000 0.492 308 S N 4.990 120.823 115.700 0.222 0.000 2.505 308 S HA 0.232 4.702 4.470 0.000 0.000 0.276 308 S C -1.323 173.388 174.600 0.186 0.000 1.274 308 S CA -1.146 57.156 58.200 0.170 0.000 1.053 308 S CB 0.996 64.256 63.200 0.101 0.000 0.919 308 S HN 0.420 nan 8.310 nan 0.000 0.490 309 P HA -0.093 nan 4.420 nan 0.000 0.218 309 P C 0.036 177.367 177.300 0.053 0.000 1.146 309 P CA 0.777 63.987 63.100 0.183 0.000 0.813 309 P CB -0.110 31.703 31.700 0.189 0.000 0.778 310 D N 0.361 120.785 120.400 0.040 0.000 2.389 310 D HA -0.020 4.620 4.640 0.000 0.000 0.263 310 D C -1.335 174.980 176.300 0.024 0.000 1.255 310 D CA -1.761 52.243 54.000 0.006 0.000 0.914 310 D CB 0.554 41.349 40.800 -0.008 0.000 1.116 310 D HN 0.144 nan 8.370 nan 0.000 0.502 311 P HA -0.058 nan 4.420 nan 0.000 0.237 311 P C 1.005 178.333 177.300 0.046 0.000 1.178 311 P CA 0.654 63.770 63.100 0.027 0.000 0.766 311 P CB -0.100 31.600 31.700 -0.001 0.000 0.876 312 T N -4.940 109.637 114.554 0.037 0.000 3.118 312 T HA 0.005 4.355 4.350 0.000 0.000 0.260 312 T C 1.479 176.237 174.700 0.097 0.000 1.139 312 T CA 0.928 63.062 62.100 0.057 0.000 1.085 312 T CB -1.269 67.620 68.868 0.034 0.000 0.934 312 T HN -0.026 nan 8.240 nan 0.000 0.518 313 T N 2.810 117.418 114.554 0.091 0.000 2.812 313 T HA 0.036 4.386 4.350 0.000 0.000 0.264 313 T C -0.631 174.174 174.700 0.174 0.000 1.042 313 T CA 1.021 63.194 62.100 0.123 0.000 1.140 313 T CB -1.165 67.760 68.868 0.096 0.000 0.870 313 T HN 0.390 nan 8.240 nan 0.000 0.445 314 P HA -0.128 nan 4.420 nan 0.000 0.215 314 P C 1.350 178.728 177.300 0.130 0.000 1.157 314 P CA 1.119 64.305 63.100 0.143 0.000 0.874 314 P CB -0.131 31.651 31.700 0.137 0.000 0.790 315 D N -1.454 119.021 120.400 0.125 0.000 2.117 315 D HA -0.186 4.454 4.640 0.000 0.000 0.197 315 D C 1.802 178.168 176.300 0.110 0.000 0.987 315 D CA 0.939 54.999 54.000 0.099 0.000 0.829 315 D CB -0.468 40.385 40.800 0.089 0.000 0.961 315 D HN 0.044 nan 8.370 nan 0.000 0.460 316 F N 1.133 121.099 119.950 0.025 0.000 2.134 316 F HA -0.092 4.435 4.527 0.000 0.000 0.299 316 F C 2.319 178.131 175.800 0.021 0.000 1.097 316 F CA 1.060 59.072 58.000 0.019 0.000 1.264 316 F CB -0.182 38.829 39.000 0.018 0.000 1.001 316 F HN -0.078 nan 8.300 nan 0.000 0.479 317 L N -0.162 121.172 121.223 0.186 0.000 2.156 317 L HA -0.185 4.155 4.340 0.000 0.000 0.208 317 L C 2.177 179.048 176.870 0.002 0.000 1.095 317 L CA 0.822 55.721 54.840 0.099 0.000 0.770 317 L CB -0.752 41.399 42.059 0.153 0.000 0.914 317 L HN 0.178 nan 8.230 nan 0.000 0.439 318 N N -0.390 118.317 118.700 0.013 0.000 2.188 318 N HA -0.128 4.612 4.740 0.000 0.000 0.184 318 N C 1.986 177.460 175.510 -0.060 0.000 1.018 318 N CA 1.320 54.366 53.050 -0.006 0.000 0.858 318 N CB 0.035 38.531 38.487 0.014 0.000 0.989 318 N HN 0.197 nan 8.380 nan 0.000 0.426 319 S N 1.180 116.810 115.700 -0.118 0.000 2.359 319 S HA -0.063 4.407 4.470 0.000 0.000 0.224 319 S C 1.963 176.436 174.600 -0.211 0.000 1.035 319 S CA 0.807 58.900 58.200 -0.179 0.000 1.018 319 S CB -0.128 62.911 63.200 -0.269 0.000 0.876 319 S HN 0.131 nan 8.310 nan 0.000 0.448 320 L N 0.814 121.868 121.223 -0.282 0.000 2.156 320 L HA 0.062 4.403 4.340 0.000 0.000 0.208 320 L C 2.059 178.868 176.870 -0.102 0.000 1.095 320 L CA 0.910 55.623 54.840 -0.211 0.000 0.770 320 L CB -0.867 41.059 42.059 -0.220 0.000 0.914 320 L HN 0.230 nan 8.230 nan 0.000 0.439 321 L N -1.005 120.176 121.223 -0.069 0.000 2.079 321 L HA -0.217 4.123 4.340 0.000 0.000 0.210 321 L C 2.472 179.325 176.870 -0.028 0.000 1.081 321 L CA 1.706 56.530 54.840 -0.028 0.000 0.752 321 L CB -0.601 41.456 42.059 -0.003 0.000 0.896 321 L HN 0.235 nan 8.230 nan 0.000 0.433 322 S N -1.815 113.858 115.700 -0.045 0.000 2.436 322 S HA -0.131 4.339 4.470 0.000 0.000 0.228 322 S C 1.859 176.434 174.600 -0.042 0.000 1.014 322 S CA 0.948 59.125 58.200 -0.038 0.000 0.950 322 S CB -0.626 62.544 63.200 -0.049 0.000 0.784 322 S HN 0.765 nan 8.310 nan 0.000 0.504 323 C N 0.550 119.814 119.300 -0.061 0.000 2.697 323 C HA 0.694 5.154 4.460 0.000 0.000 0.267 323 C C 1.846 176.812 174.990 -0.040 0.000 1.278 323 C CA -0.195 58.791 59.018 -0.053 0.000 1.708 323 C CB -0.788 26.908 27.740 -0.073 0.000 1.860 323 C HN 0.591 nan 8.230 nan 0.000 0.589 324 G N 0.712 109.494 108.800 -0.031 0.000 2.184 324 G HA2 -0.197 3.763 3.960 0.000 0.000 0.206 324 G HA3 -0.197 3.763 3.960 0.000 0.000 0.206 324 G C 0.378 175.267 174.900 -0.018 0.000 0.995 324 G CA 0.459 45.552 45.100 -0.011 0.000 0.651 324 G HN 0.447 nan 8.290 nan 0.000 0.511 325 D N 0.168 120.544 120.400 -0.040 0.000 2.323 325 D HA 0.173 4.813 4.640 0.000 0.000 0.209 325 D C 1.110 177.389 176.300 -0.036 0.000 0.973 325 D CA 0.734 54.706 54.000 -0.047 0.000 0.874 325 D CB 0.337 41.102 40.800 -0.057 0.000 0.930 325 D HN 0.449 nan 8.370 nan 0.000 0.521 326 L N 0.889 122.100 121.223 -0.021 0.000 2.372 326 L HA 0.257 4.597 4.340 0.000 0.000 0.274 326 L C 0.364 177.245 176.870 0.018 0.000 0.988 326 L CA -0.446 54.390 54.840 -0.006 0.000 0.833 326 L CB 2.249 44.305 42.059 -0.004 0.000 1.236 326 L HN -0.375 nan 8.230 nan 0.000 0.410 327 Q N 1.641 121.472 119.800 0.051 0.000 2.392 327 Q HA 0.184 4.524 4.340 0.000 0.000 0.219 327 Q C -0.047 175.988 176.000 0.058 0.000 0.895 327 Q CA 0.292 56.148 55.803 0.087 0.000 0.929 327 Q CB 1.048 29.915 28.738 0.214 0.000 1.077 327 Q HN 0.552 nan 8.270 nan 0.000 0.532 328 V N -2.349 117.596 119.914 0.051 0.000 2.971 328 V HA 0.892 5.012 4.120 0.000 0.000 0.309 328 V C -0.726 175.415 176.094 0.079 0.000 1.130 328 V CA -0.779 61.564 62.300 0.071 0.000 0.964 328 V CB 1.954 33.863 31.823 0.143 0.000 1.029 328 V HN 0.118 nan 8.190 nan 0.000 0.427 329 T N 0.642 115.247 114.554 0.085 0.000 2.841 329 T HA 0.934 5.284 4.350 0.000 0.000 0.283 329 T C 0.141 174.924 174.700 0.138 0.000 1.000 329 T CA 0.022 62.179 62.100 0.094 0.000 0.977 329 T CB 1.496 70.394 68.868 0.051 0.000 0.979 329 T HN 1.633 nan 8.240 nan 0.000 0.446 330 G N 0.173 109.073 108.800 0.166 0.000 3.176 330 G HA2 0.590 4.550 3.960 0.000 0.000 0.272 330 G HA3 0.590 4.550 3.960 0.000 0.000 0.272 330 G C 0.394 175.377 174.900 0.137 0.000 1.349 330 G CA -0.246 44.964 45.100 0.184 0.000 0.953 330 G HN 1.050 nan 8.290 nan 0.000 0.559 331 S N -2.505 113.264 115.700 0.116 0.000 2.619 331 S HA 0.430 4.900 4.470 0.000 0.000 0.238 331 S C 1.536 176.124 174.600 -0.021 0.000 1.068 331 S CA 1.459 59.717 58.200 0.096 0.000 0.926 331 S CB 0.326 63.625 63.200 0.164 0.000 0.864 331 S HN 2.431 nan 8.310 nan 0.000 0.493 332 A N 1.405 124.109 122.820 -0.193 0.000 2.704 332 A HA -0.273 4.047 4.320 0.000 0.000 0.299 332 A C 0.200 177.691 177.584 -0.154 0.000 1.507 332 A CA 1.163 52.908 52.037 -0.486 0.000 0.776 332 A CB -2.955 15.686 19.000 -0.599 0.000 1.027 332 A HN 0.962 nan 8.150 nan 0.000 0.475 333 H N -1.023 117.958 119.070 -0.148 0.000 3.138 333 H HA 0.354 4.910 4.556 -0.000 0.000 0.275 333 H C 0.326 175.587 175.328 -0.111 0.000 0.997 333 H CA 1.323 57.319 56.048 -0.086 0.000 1.460 333 H CB 0.321 30.082 29.762 -0.002 0.000 1.524 333 H HN 0.835 nan 8.280 nan 0.000 0.532 334 C N 6.638 125.826 119.300 -0.187 0.000 3.430 334 C HA 0.231 4.691 4.460 0.000 0.000 0.268 334 C C -0.021 174.822 174.990 -0.246 0.000 1.101 334 C CA -0.057 58.895 59.018 -0.112 0.000 1.286 334 C CB -1.512 26.249 27.740 0.035 0.000 1.795 334 C HN 0.999 nan 8.230 nan 0.000 0.569 335 T N 0.362 114.685 114.554 -0.386 0.000 2.889 335 T HA 0.746 5.096 4.350 0.000 0.000 0.291 335 T C -0.780 173.572 174.700 -0.579 0.000 0.995 335 T CA -0.136 61.746 62.100 -0.363 0.000 1.092 335 T CB 0.921 69.625 68.868 -0.274 0.000 0.954 335 T HN 0.408 nan 8.240 nan 0.000 0.506 336 F N 2.572 122.500 119.950 -0.038 0.000 2.536 336 F HA 0.362 4.889 4.527 -0.000 0.000 0.322 336 F C 0.463 176.274 175.800 0.019 0.000 1.144 336 F CA -1.223 56.775 58.000 -0.003 0.000 0.924 336 F CB 1.585 40.587 39.000 0.003 0.000 1.181 336 F HN 0.785 nan 8.300 nan 0.000 0.438 337 N N 0.001 118.807 118.700 0.176 0.000 2.297 337 N HA 0.035 4.775 4.740 0.000 0.000 0.232 337 N C 0.770 176.394 175.510 0.190 0.000 1.311 337 N CA 0.030 53.176 53.050 0.159 0.000 0.897 337 N CB 0.117 38.675 38.487 0.119 0.000 1.137 337 N HN 0.562 nan 8.380 nan 0.000 0.449 338 T N -0.824 113.853 114.554 0.205 0.000 2.915 338 T HA -0.070 4.280 4.350 0.000 0.000 0.269 338 T C 1.736 176.556 174.700 0.199 0.000 1.071 338 T CA 1.356 63.592 62.100 0.227 0.000 1.132 338 T CB -0.564 68.472 68.868 0.281 0.000 0.878 338 T HN 0.689 nan 8.240 nan 0.000 0.479 339 A N 1.514 124.424 122.820 0.151 0.000 1.898 339 A HA -0.137 4.183 4.320 0.000 0.000 0.216 339 A C 2.319 179.968 177.584 0.108 0.000 1.181 339 A CA 1.294 53.396 52.037 0.108 0.000 0.620 339 A CB -0.545 18.504 19.000 0.083 0.000 0.819 339 A HN 0.511 nan 8.150 nan 0.000 0.442 340 Q N -0.431 119.450 119.800 0.136 0.000 2.046 340 Q HA -0.146 4.194 4.340 0.000 0.000 0.200 340 Q C 2.047 178.109 176.000 0.103 0.000 0.975 340 Q CA 1.379 57.262 55.803 0.133 0.000 0.836 340 Q CB -0.161 28.726 28.738 0.248 0.000 0.896 340 Q HN 0.425 nan 8.270 nan 0.000 0.428 341 K N 0.608 121.102 120.400 0.157 0.000 2.026 341 K HA -0.083 4.237 4.320 0.000 0.000 0.208 341 K C 2.034 178.837 176.600 0.338 0.000 1.048 341 K CA 1.175 57.568 56.287 0.176 0.000 0.929 341 K CB -0.454 32.145 32.500 0.166 0.000 0.713 341 K HN 0.170 nan 8.250 nan 0.000 0.439 342 A N 1.367 124.388 122.820 0.334 0.000 2.194 342 A HA -0.122 4.198 4.320 0.000 0.000 0.220 342 A C 2.317 179.905 177.584 0.006 0.000 1.162 342 A CA 1.213 53.324 52.037 0.123 0.000 0.674 342 A CB -0.704 18.296 19.000 0.000 0.000 0.789 342 A HN 0.073 nan 8.150 nan 0.000 0.470 343 V N -0.521 119.423 119.914 0.050 0.000 2.546 343 V HA -0.214 3.906 4.120 0.000 0.000 0.254 343 V C 2.314 178.421 176.094 0.021 0.000 1.076 343 V CA 1.888 64.193 62.300 0.010 0.000 1.087 343 V CB -0.837 30.985 31.823 -0.001 0.000 0.674 343 V HN 0.657 nan 8.190 nan 0.000 0.470 344 G N 0.085 108.952 108.800 0.112 0.000 3.314 344 G HA2 0.009 3.969 3.960 0.000 0.000 0.238 344 G HA3 0.009 3.969 3.960 0.000 0.000 0.238 344 G C 1.273 176.328 174.900 0.259 0.000 1.184 344 G CA 0.199 45.399 45.100 0.166 0.000 0.806 344 G HN 0.655 nan 8.290 nan 0.000 0.536 345 K N -0.291 120.113 120.400 0.007 0.000 2.283 345 K HA 0.002 4.323 4.320 0.000 0.000 0.202 345 K C 0.535 177.043 176.600 -0.153 0.000 1.048 345 K CA 1.146 57.215 56.287 -0.363 0.000 0.948 345 K CB 0.212 32.214 32.500 -0.831 0.000 0.742 345 K HN 0.069 nan 8.250 nan 0.000 0.458 346 D N 0.180 120.553 120.400 -0.044 0.000 2.433 346 D HA 0.058 4.698 4.640 0.000 0.000 0.211 346 D C -0.652 175.668 176.300 0.034 0.000 1.114 346 D CA 0.113 54.105 54.000 -0.013 0.000 0.837 346 D CB 0.432 41.203 40.800 -0.048 0.000 0.984 346 D HN 0.278 nan 8.370 nan 0.000 0.505 347 N N 0.228 118.961 118.700 0.055 0.000 2.578 347 N HA 0.041 4.781 4.740 0.000 0.000 0.282 347 N C 0.488 176.005 175.510 0.011 0.000 1.119 347 N CA -0.448 52.592 53.050 -0.017 0.000 0.948 347 N CB 0.802 39.231 38.487 -0.096 0.000 1.546 347 N HN -0.215 nan 8.380 nan 0.000 0.525 348 F N 1.788 121.784 119.950 0.076 0.000 2.293 348 F HA 0.021 4.548 4.527 0.000 0.000 0.300 348 F C 2.229 178.052 175.800 0.039 0.000 1.086 348 F CA 1.166 59.205 58.000 0.065 0.000 1.375 348 F CB -1.024 37.994 39.000 0.030 0.000 1.045 348 F HN 0.422 nan 8.300 nan 0.000 0.516 349 T N -1.164 113.074 114.554 -0.527 0.000 3.025 349 T HA -0.036 4.314 4.350 0.000 0.000 0.270 349 T C 1.487 176.125 174.700 -0.103 0.000 1.126 349 T CA 1.235 63.163 62.100 -0.287 0.000 1.105 349 T CB -0.812 67.798 68.868 -0.430 0.000 0.884 349 T HN 0.526 nan 8.240 nan 0.000 0.522 350 L N -0.051 121.124 121.223 -0.081 0.000 2.607 350 L HA 0.436 4.777 4.340 0.000 0.000 0.228 350 L C 0.537 177.392 176.870 -0.025 0.000 1.123 350 L CA -0.282 54.529 54.840 -0.048 0.000 0.890 350 L CB -0.179 41.854 42.059 -0.043 0.000 1.103 350 L HN 0.243 nan 8.230 nan 0.000 0.468 351 I N 3.451 124.027 120.570 0.009 0.000 2.581 351 I HA 0.052 4.222 4.170 0.000 0.000 0.285 351 I C -1.694 174.342 176.117 -0.134 0.000 1.129 351 I CA -1.650 59.641 61.300 -0.016 0.000 1.397 351 I CB 0.301 38.293 38.000 -0.014 0.000 1.399 351 I HN -0.145 nan 8.210 nan 0.000 0.537 352 P HA -0.005 nan 4.420 nan 0.000 0.263 352 P C -0.708 176.388 177.300 -0.341 0.000 1.195 352 P CA 0.153 62.954 63.100 -0.497 0.000 0.762 352 P CB 0.355 31.403 31.700 -1.088 0.000 0.799 353 E N 1.760 121.852 120.200 -0.180 0.000 2.259 353 E HA 0.545 4.895 4.350 0.000 0.000 0.281 353 E C 0.538 177.227 176.600 0.148 0.000 1.037 353 E CA -0.050 56.346 56.400 -0.006 0.000 0.854 353 E CB 0.556 30.327 29.700 0.117 0.000 1.051 353 E HN 0.691 nan 8.360 nan 0.000 0.409 354 G N 1.456 110.345 108.800 0.149 0.000 2.301 354 G HA2 0.198 4.158 3.960 0.000 0.000 0.290 354 G HA3 0.198 4.158 3.960 0.000 0.000 0.290 354 G C -0.865 174.067 174.900 0.055 0.000 1.669 354 G CA -0.718 44.485 45.100 0.173 0.000 0.945 354 G HN 0.416 nan 8.290 nan 0.000 0.710 355 T N 0.248 114.764 114.554 -0.065 0.000 2.831 355 T HA 0.695 5.045 4.350 0.000 0.000 0.287 355 T C 0.370 174.883 174.700 -0.312 0.000 1.070 355 T CA -0.312 61.673 62.100 -0.191 0.000 1.010 355 T CB 1.166 69.892 68.868 -0.237 0.000 1.264 355 T HN 0.970 nan 8.240 nan 0.000 0.532 356 N N -0.293 118.193 118.700 -0.357 0.000 2.413 356 N HA 0.493 5.233 4.740 0.000 0.000 0.266 356 N C 0.538 175.995 175.510 -0.087 0.000 1.238 356 N CA 0.131 52.949 53.050 -0.387 0.000 0.972 356 N CB 1.158 39.525 38.487 -0.200 0.000 1.210 356 N HN 0.951 nan 8.380 nan 0.000 0.547 357 G N -2.281 106.649 108.800 0.217 0.000 3.732 357 G HA2 -0.181 3.779 3.960 0.000 0.000 0.220 357 G HA3 -0.181 3.779 3.960 0.000 0.000 0.220 357 G C 0.620 175.726 174.900 0.344 0.000 0.903 357 G CA 0.351 45.669 45.100 0.364 0.000 0.896 357 G HN 0.672 nan 8.290 nan 0.000 0.685 358 T N 0.181 114.994 114.554 0.432 0.000 2.812 358 T HA -0.010 4.340 4.350 0.000 0.000 0.264 358 T C 1.877 176.670 174.700 0.154 0.000 1.042 358 T CA 2.174 64.409 62.100 0.225 0.000 1.140 358 T CB -0.025 68.905 68.868 0.103 0.000 0.870 358 T HN 0.440 nan 8.240 nan 0.000 0.445 359 E N -0.217 120.069 120.200 0.143 0.000 2.150 359 E HA -0.116 4.234 4.350 0.000 0.000 0.193 359 E C 1.598 178.276 176.600 0.131 0.000 0.985 359 E CA 1.098 57.559 56.400 0.103 0.000 0.814 359 E CB 0.095 29.844 29.700 0.081 0.000 0.752 359 E HN 0.466 nan 8.360 nan 0.000 0.466 360 E N -0.255 120.040 120.200 0.159 0.000 2.472 360 E HA 0.052 4.402 4.350 0.000 0.000 0.196 360 E C 1.494 178.133 176.600 0.066 0.000 1.033 360 E CA -0.120 56.337 56.400 0.095 0.000 0.886 360 E CB 0.123 29.844 29.700 0.036 0.000 0.944 360 E HN 0.131 nan 8.360 nan 0.000 0.492 361 R N 0.584 121.153 120.500 0.116 0.000 2.136 361 R HA -0.220 4.120 4.340 0.000 0.000 0.242 361 R C 1.792 178.177 176.300 0.141 0.000 1.131 361 R CA 2.151 58.316 56.100 0.109 0.000 0.937 361 R CB -0.133 30.235 30.300 0.113 0.000 0.863 361 R HN 0.202 nan 8.270 nan 0.000 0.435 362 M N -0.719 119.007 119.600 0.210 0.000 2.334 362 M HA -0.033 4.447 4.480 0.000 0.000 0.266 362 M C 2.236 178.888 176.300 0.586 0.000 1.082 362 M CA 1.018 56.524 55.300 0.343 0.000 1.141 362 M CB 0.377 33.133 32.600 0.260 0.000 1.380 362 M HN 0.142 nan 8.290 nan 0.000 0.440 363 S N 0.022 116.019 115.700 0.495 0.000 2.368 363 S HA -0.091 4.380 4.470 0.000 0.000 0.224 363 S C 1.892 176.662 174.600 0.282 0.000 1.029 363 S CA 1.082 59.534 58.200 0.420 0.000 0.988 363 S CB -0.203 63.116 63.200 0.198 0.000 0.838 363 S HN 0.244 nan 8.310 nan 0.000 0.462 364 V N 1.946 121.940 119.914 0.133 0.000 2.427 364 V HA -0.116 4.004 4.120 0.000 0.000 0.248 364 V C 1.961 178.135 176.094 0.133 0.000 1.051 364 V CA 1.374 63.691 62.300 0.028 0.000 1.048 364 V CB -0.604 31.105 31.823 -0.189 0.000 0.666 364 V HN 0.459 nan 8.190 nan 0.000 0.456 365 I N -1.276 119.437 120.570 0.238 0.000 2.286 365 I HA -0.221 3.949 4.170 0.000 0.000 0.245 365 I C 2.388 178.695 176.117 0.318 0.000 1.104 365 I CA 1.521 62.989 61.300 0.280 0.000 1.397 365 I CB -0.361 37.837 38.000 0.329 0.000 1.072 365 I HN 0.480 nan 8.210 nan 0.000 0.417 366 W N 2.467 123.889 121.300 0.203 0.000 2.333 366 W HA -0.291 4.370 4.660 0.002 0.000 0.316 366 W C 2.125 178.656 176.519 0.020 0.000 1.215 366 W CA 2.372 59.699 57.345 -0.031 0.000 1.278 366 W CB -0.329 29.151 29.460 0.034 0.000 1.154 366 W HN 0.221 nan 8.180 nan 0.000 0.486 367 D N -0.040 120.487 120.400 0.211 0.000 2.144 367 D HA -0.188 4.452 4.640 0.000 0.000 0.199 367 D C 2.051 178.350 176.300 -0.001 0.000 0.984 367 D CA 1.612 55.667 54.000 0.091 0.000 0.834 367 D CB -0.024 40.848 40.800 0.121 0.000 0.955 367 D HN -0.094 nan 8.370 nan 0.000 0.465 368 K N -0.825 119.586 120.400 0.018 0.000 2.334 368 K HA 0.274 4.594 4.320 0.000 0.000 0.195 368 K C 1.198 177.785 176.600 -0.021 0.000 1.045 368 K CA 0.694 56.987 56.287 0.010 0.000 1.004 368 K CB 1.048 33.572 32.500 0.040 0.000 0.837 368 K HN 0.169 nan 8.250 nan 0.000 0.510 369 A N -0.014 122.776 122.820 -0.051 0.000 2.048 369 A HA 0.136 4.456 4.320 0.000 0.000 0.197 369 A C 1.942 179.425 177.584 -0.168 0.000 1.486 369 A CA 0.019 52.014 52.037 -0.069 0.000 1.029 369 A CB 0.306 19.303 19.000 -0.006 0.000 1.101 369 A HN -0.035 nan 8.150 nan 0.000 0.470 370 V N -0.442 119.272 119.914 -0.333 0.000 2.403 370 V HA -0.076 4.044 4.120 0.000 0.000 0.239 370 V C 2.420 178.199 176.094 -0.526 0.000 1.041 370 V CA 1.602 63.551 62.300 -0.586 0.000 1.051 370 V CB -0.669 30.386 31.823 -1.280 0.000 0.704 370 V HN 0.221 nan 8.190 nan 0.000 0.472 371 V N 1.592 121.171 119.914 -0.558 0.000 2.380 371 V HA -0.269 3.851 4.120 0.000 0.000 0.251 371 V C 2.680 178.669 176.094 -0.175 0.000 1.063 371 V CA 2.620 64.735 62.300 -0.308 0.000 1.055 371 V CB -1.265 30.455 31.823 -0.171 0.000 0.657 371 V HN 0.825 nan 8.190 nan 0.000 0.455 372 T N -2.768 111.695 114.554 -0.152 0.000 3.160 372 T HA 0.278 4.628 4.350 0.000 0.000 0.257 372 T C 1.561 176.209 174.700 -0.087 0.000 1.147 372 T CA 1.024 63.070 62.100 -0.090 0.000 1.064 372 T CB 0.422 69.254 68.868 -0.060 0.000 0.949 372 T HN 0.969 nan 8.240 nan 0.000 0.526 373 G N 1.469 110.197 108.800 -0.119 0.000 2.217 373 G HA2 -0.312 3.648 3.960 0.000 0.000 0.246 373 G HA3 -0.312 3.648 3.960 0.000 0.000 0.246 373 G C 0.906 175.756 174.900 -0.083 0.000 0.990 373 G CA 0.398 45.441 45.100 -0.095 0.000 0.627 373 G HN 0.550 nan 8.290 nan 0.000 0.522 374 K N -0.273 120.076 120.400 -0.084 0.000 2.097 374 K HA 0.183 4.503 4.320 0.000 0.000 0.205 374 K C 1.497 178.059 176.600 -0.064 0.000 1.050 374 K CA 1.578 57.824 56.287 -0.068 0.000 0.938 374 K CB -0.077 32.386 32.500 -0.062 0.000 0.718 374 K HN 0.756 nan 8.250 nan 0.000 0.442 375 M N -0.216 119.336 119.600 -0.080 0.000 2.664 375 M HA 0.313 4.793 4.480 0.000 0.000 0.279 375 M C -1.793 174.452 176.300 -0.091 0.000 1.275 375 M CA -1.203 54.062 55.300 -0.059 0.000 0.829 375 M CB 2.185 34.772 32.600 -0.022 0.000 1.727 375 M HN -0.170 nan 8.290 nan 0.000 0.459 376 D N 0.024 120.395 120.400 -0.047 0.000 2.487 376 D HA 0.214 4.854 4.640 0.000 0.000 0.262 376 D C 0.631 176.933 176.300 0.004 0.000 1.130 376 D CA -0.181 53.788 54.000 -0.051 0.000 1.038 376 D CB 0.472 41.266 40.800 -0.010 0.000 1.142 376 D HN 0.873 nan 8.370 nan 0.000 0.575 377 E N 0.117 120.346 120.200 0.047 0.000 2.204 377 E HA -0.274 4.076 4.350 0.000 0.000 0.195 377 E C 0.836 177.587 176.600 0.251 0.000 0.990 377 E CA 1.174 57.711 56.400 0.228 0.000 0.821 377 E CB -0.544 29.330 29.700 0.290 0.000 0.750 377 E HN 0.443 nan 8.360 nan 0.000 0.477 378 N N 1.092 119.879 118.700 0.144 0.000 2.135 378 N HA -0.138 4.602 4.740 0.000 0.000 0.186 378 N C 1.797 177.365 175.510 0.095 0.000 1.027 378 N CA 1.448 54.564 53.050 0.110 0.000 0.849 378 N CB -0.146 38.387 38.487 0.076 0.000 1.002 378 N HN 0.180 nan 8.380 nan 0.000 0.425 379 Q N -0.202 119.648 119.800 0.083 0.000 2.135 379 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 379 Q C 1.656 177.707 176.000 0.084 0.000 0.981 379 Q CA 1.237 57.076 55.803 0.060 0.000 0.856 379 Q CB -0.261 28.501 28.738 0.041 0.000 0.902 379 Q HN 0.404 nan 8.270 nan 0.000 0.425 380 F N 0.268 120.214 119.950 -0.005 0.000 2.091 380 F HA -0.260 4.267 4.527 -0.000 0.000 0.299 380 F C 1.838 177.626 175.800 -0.020 0.000 1.103 380 F CA 1.262 59.266 58.000 0.007 0.000 1.228 380 F CB -0.248 38.802 39.000 0.083 0.000 0.984 380 F HN -0.158 nan 8.300 nan 0.000 0.477 381 V N 0.672 120.556 119.914 -0.049 0.000 2.307 381 V HA -0.288 3.832 4.120 0.000 0.000 0.245 381 V C 2.800 178.802 176.094 -0.153 0.000 1.045 381 V CA 1.670 63.875 62.300 -0.159 0.000 1.024 381 V CB -1.614 30.201 31.823 -0.014 0.000 0.651 381 V HN 0.524 nan 8.190 nan 0.000 0.449 382 A N 0.718 123.491 122.820 -0.079 0.000 1.896 382 A HA -0.237 4.084 4.320 0.000 0.000 0.220 382 A C 2.303 179.827 177.584 -0.101 0.000 1.206 382 A CA 2.888 54.879 52.037 -0.078 0.000 0.647 382 A CB -0.910 18.067 19.000 -0.038 0.000 0.828 382 A HN 0.867 nan 8.150 nan 0.000 0.455 383 V N -2.614 117.230 119.914 -0.116 0.000 3.541 383 V HA 0.046 4.166 4.120 0.000 0.000 0.267 383 V C 1.806 177.811 176.094 -0.149 0.000 1.213 383 V CA 1.914 64.157 62.300 -0.095 0.000 1.149 383 V CB -0.925 30.866 31.823 -0.054 0.000 0.822 383 V HN 0.723 nan 8.190 nan 0.000 0.462 384 T N -2.299 112.091 114.554 -0.273 0.000 3.023 384 T HA 0.152 4.502 4.350 0.000 0.000 0.249 384 T C 1.654 176.249 174.700 -0.174 0.000 1.050 384 T CA 1.117 63.037 62.100 -0.300 0.000 1.088 384 T CB 0.265 68.754 68.868 -0.633 0.000 0.946 384 T HN 0.749 nan 8.240 nan 0.000 0.480 385 S N 0.367 115.978 115.700 -0.149 0.000 3.472 385 S HA 0.098 4.568 4.470 0.000 0.000 0.247 385 S C 1.951 176.521 174.600 -0.050 0.000 1.084 385 S CA 0.592 58.747 58.200 -0.074 0.000 0.795 385 S CB -0.414 62.744 63.200 -0.069 0.000 0.892 385 S HN 0.306 nan 8.310 nan 0.000 0.513 386 T N 3.236 117.748 114.554 -0.070 0.000 2.821 386 T HA 0.044 4.394 4.350 0.000 0.000 0.267 386 T C 1.599 176.168 174.700 -0.218 0.000 1.046 386 T CA 1.573 63.622 62.100 -0.085 0.000 1.139 386 T CB -0.539 68.282 68.868 -0.078 0.000 0.871 386 T HN 0.364 nan 8.240 nan 0.000 0.454 387 N N 1.537 120.119 118.700 -0.197 0.000 2.188 387 N HA 0.070 4.810 4.740 0.000 0.000 0.184 387 N C 2.169 177.543 175.510 -0.226 0.000 1.018 387 N CA 1.196 54.086 53.050 -0.267 0.000 0.858 387 N CB -0.669 37.756 38.487 -0.104 0.000 0.989 387 N HN 0.435 nan 8.380 nan 0.000 0.426 388 A N 1.135 123.920 122.820 -0.058 0.000 1.883 388 A HA -0.081 4.239 4.320 0.000 0.000 0.217 388 A C 2.375 180.008 177.584 0.082 0.000 1.186 388 A CA 2.192 54.289 52.037 0.099 0.000 0.624 388 A CB -1.033 18.065 19.000 0.164 0.000 0.822 388 A HN 0.317 nan 8.150 nan 0.000 0.444 389 A N -0.220 122.603 122.820 0.006 0.000 1.865 389 A HA -0.221 4.099 4.320 0.000 0.000 0.217 389 A C 2.118 179.672 177.584 -0.050 0.000 1.191 389 A CA 2.064 54.121 52.037 0.034 0.000 0.623 389 A CB -0.559 18.505 19.000 0.105 0.000 0.826 389 A HN 0.561 nan 8.150 nan 0.000 0.444 390 K N -0.600 119.623 120.400 -0.295 0.000 2.063 390 K HA -0.099 4.221 4.320 0.000 0.000 0.208 390 K C 1.877 178.274 176.600 -0.338 0.000 1.048 390 K CA 1.522 57.498 56.287 -0.518 0.000 0.928 390 K CB -0.429 31.284 32.500 -1.311 0.000 0.713 390 K HN 0.302 nan 8.250 nan 0.000 0.442 391 V N 0.404 120.086 119.914 -0.387 0.000 2.295 391 V HA -0.196 3.924 4.120 0.000 0.000 0.246 391 V C 1.574 177.372 176.094 -0.495 0.000 1.049 391 V CA 1.661 63.694 62.300 -0.445 0.000 1.024 391 V CB -0.382 30.957 31.823 -0.808 0.000 0.648 391 V HN 0.186 nan 8.190 nan 0.000 0.447 392 F N -0.203 119.715 119.950 -0.053 0.000 2.732 392 F HA 0.347 4.874 4.527 0.000 0.000 0.303 392 F C 1.187 176.958 175.800 -0.048 0.000 1.110 392 F CA -0.089 57.880 58.000 -0.051 0.000 1.355 392 F CB -0.611 38.344 39.000 -0.074 0.000 1.081 392 F HN 0.181 nan 8.300 nan 0.000 0.565 393 N N 0.757 119.503 118.700 0.077 0.000 2.816 393 N HA -0.183 4.557 4.740 0.000 0.000 0.247 393 N C -0.189 175.354 175.510 0.056 0.000 1.100 393 N CA 0.355 53.445 53.050 0.067 0.000 0.687 393 N CB -1.460 37.064 38.487 0.062 0.000 1.003 393 N HN 0.372 nan 8.380 nan 0.000 0.554 394 L N -0.609 120.655 121.223 0.067 0.000 3.014 394 L HA 0.295 4.635 4.340 0.000 0.000 0.263 394 L C 0.065 176.973 176.870 0.064 0.000 1.207 394 L CA -0.338 54.523 54.840 0.035 0.000 1.017 394 L CB 0.151 42.219 42.059 0.016 0.000 1.360 394 L HN 0.277 nan 8.230 nan 0.000 0.560 395 Y N 1.883 122.153 120.300 -0.051 0.000 2.377 395 Y HA 0.469 5.019 4.550 0.000 0.000 0.339 395 Y C -1.641 174.236 175.900 -0.039 0.000 1.011 395 Y CA -1.774 56.291 58.100 -0.059 0.000 1.093 395 Y CB 1.648 40.048 38.460 -0.099 0.000 1.201 395 Y HN -0.086 nan 8.280 nan 0.000 0.455 396 P HA 0.132 nan 4.420 nan 0.000 0.257 396 P C 1.056 178.144 177.300 -0.354 0.000 1.281 396 P CA 0.257 62.793 63.100 -0.940 0.000 0.826 396 P CB 0.190 31.333 31.700 -0.929 0.000 1.237 397 R N 0.788 121.173 120.500 -0.191 0.000 2.113 397 R HA -0.101 4.239 4.340 0.000 0.000 0.244 397 R C 0.335 176.582 176.300 -0.088 0.000 1.142 397 R CA 1.311 57.343 56.100 -0.114 0.000 0.953 397 R CB 0.139 30.392 30.300 -0.078 0.000 0.860 397 R HN 0.079 nan 8.270 nan 0.000 0.438 398 K N -1.687 118.677 120.400 -0.060 0.000 2.281 398 K HA 0.280 4.600 4.320 0.000 0.000 0.242 398 K C 0.221 176.834 176.600 0.021 0.000 0.971 398 K CA 0.014 56.288 56.287 -0.022 0.000 0.834 398 K CB 1.665 34.160 32.500 -0.008 0.000 1.181 398 K HN 0.289 nan 8.250 nan 0.000 0.435 399 G N 1.062 109.878 108.800 0.026 0.000 2.153 399 G HA2 -0.300 3.660 3.960 0.000 0.000 0.252 399 G HA3 -0.300 3.660 3.960 0.000 0.000 0.252 399 G C 0.066 175.017 174.900 0.086 0.000 0.994 399 G CA 0.784 45.922 45.100 0.062 0.000 0.698 399 G HN 0.524 nan 8.290 nan 0.000 0.521 400 R N -0.448 120.064 120.500 0.020 0.000 2.536 400 R HA 0.459 4.799 4.340 0.000 0.000 0.269 400 R C -0.545 175.747 176.300 -0.014 0.000 1.113 400 R CA -1.100 55.008 56.100 0.013 0.000 0.948 400 R CB 0.642 30.904 30.300 -0.063 0.000 1.237 400 R HN 0.034 nan 8.270 nan 0.000 0.441 401 I N 3.945 124.524 120.570 0.015 0.000 2.294 401 I HA 0.443 4.613 4.170 0.000 0.000 0.295 401 I C 0.074 176.223 176.117 0.053 0.000 1.098 401 I CA 0.034 61.343 61.300 0.014 0.000 1.277 401 I CB 0.087 38.084 38.000 -0.005 0.000 1.434 401 I HN 0.690 nan 8.210 nan 0.000 0.498 402 A N 5.798 128.630 122.820 0.019 0.000 2.606 402 A HA 0.646 4.966 4.320 0.000 0.000 0.293 402 A C -0.737 176.850 177.584 0.005 0.000 1.082 402 A CA -0.607 51.446 52.037 0.026 0.000 0.685 402 A CB 1.233 20.224 19.000 -0.015 0.000 1.284 402 A HN 0.191 nan 8.150 nan 0.000 0.408 403 V N 1.394 121.318 119.914 0.017 0.000 2.617 403 V HA 0.398 4.518 4.120 0.000 0.000 0.304 403 V C 1.660 177.744 176.094 -0.017 0.000 1.040 403 V CA 1.969 64.275 62.300 0.010 0.000 1.149 403 V CB 0.199 32.035 31.823 0.023 0.000 0.914 403 V HN 2.407 nan 8.190 nan 0.000 0.487 404 G N 3.685 112.472 108.800 -0.022 0.000 2.199 404 G HA2 -0.253 3.707 3.960 0.000 0.000 0.254 404 G HA3 -0.253 3.707 3.960 0.000 0.000 0.254 404 G C 0.414 175.281 174.900 -0.054 0.000 0.982 404 G CA 0.220 45.298 45.100 -0.036 0.000 0.632 404 G HN 0.752 nan 8.290 nan 0.000 0.529 405 S N 0.890 116.553 115.700 -0.062 0.000 2.614 405 S HA 0.484 4.954 4.470 0.000 0.000 0.265 405 S C 0.178 174.742 174.600 -0.061 0.000 1.303 405 S CA -0.475 57.678 58.200 -0.078 0.000 1.000 405 S CB 0.893 64.039 63.200 -0.091 0.000 0.935 405 S HN 0.345 nan 8.310 nan 0.000 0.551 406 D N 1.141 121.505 120.400 -0.060 0.000 2.400 406 D HA 0.279 4.919 4.640 0.000 0.000 0.238 406 D C 0.207 176.482 176.300 -0.043 0.000 1.157 406 D CA 0.124 54.095 54.000 -0.048 0.000 0.889 406 D CB 0.464 41.238 40.800 -0.043 0.000 1.199 406 D HN 0.554 nan 8.370 nan 0.000 0.436 407 A N 2.110 124.904 122.820 -0.043 0.000 2.840 407 A HA 0.093 4.413 4.320 0.000 0.000 0.269 407 A C -0.488 177.078 177.584 -0.029 0.000 1.439 407 A CA -0.322 51.688 52.037 -0.044 0.000 1.083 407 A CB -0.327 18.637 19.000 -0.059 0.000 1.019 407 A HN 0.258 nan 8.150 nan 0.000 0.607 408 D N 0.487 120.874 120.400 -0.022 0.000 2.359 408 D HA 0.556 5.196 4.640 0.000 0.000 0.230 408 D C -0.620 175.676 176.300 -0.007 0.000 1.118 408 D CA 0.155 54.150 54.000 -0.009 0.000 0.844 408 D CB 1.409 42.206 40.800 -0.005 0.000 1.059 408 D HN 0.074 nan 8.370 nan 0.000 0.493 409 L N 1.664 122.888 121.223 0.001 0.000 2.376 409 L HA 0.570 4.911 4.340 0.000 0.000 0.258 409 L C -0.707 176.179 176.870 0.026 0.000 1.013 409 L CA -1.094 53.748 54.840 0.004 0.000 0.822 409 L CB 2.384 44.440 42.059 -0.005 0.000 1.388 409 L HN 0.083 nan 8.230 nan 0.000 0.413 410 V N 2.637 122.576 119.914 0.042 0.000 2.623 410 V HA 0.477 4.597 4.120 0.000 0.000 0.304 410 V C -0.339 175.815 176.094 0.100 0.000 1.054 410 V CA -0.543 61.810 62.300 0.090 0.000 0.882 410 V CB 2.157 34.071 31.823 0.152 0.000 1.002 410 V HN 0.496 nan 8.190 nan 0.000 0.424 411 I N 4.701 125.323 120.570 0.086 0.000 2.322 411 I HA 0.214 4.384 4.170 0.000 0.000 0.292 411 I C -0.369 175.813 176.117 0.109 0.000 1.060 411 I CA 0.012 61.358 61.300 0.076 0.000 1.309 411 I CB 0.542 38.562 38.000 0.033 0.000 1.415 411 I HN 0.650 nan 8.210 nan 0.000 0.492 412 W N 7.298 128.531 121.300 -0.112 0.000 2.551 412 W HA 0.283 4.943 4.660 -0.000 0.000 0.330 412 W C -1.013 175.377 176.519 -0.216 0.000 1.063 412 W CA -0.423 56.808 57.345 -0.191 0.000 1.222 412 W CB 1.828 31.129 29.460 -0.265 0.000 1.349 412 W HN 0.382 nan 8.180 nan 0.000 0.536 413 D N 6.907 126.862 120.400 -0.741 0.000 2.454 413 D HA 0.235 4.875 4.640 0.000 0.000 0.225 413 D C -1.369 174.482 176.300 -0.749 0.000 1.081 413 D CA -2.331 51.340 54.000 -0.550 0.000 0.864 413 D CB 1.909 42.452 40.800 -0.428 0.000 1.040 413 D HN 0.075 nan 8.370 nan 0.000 0.517 414 P HA 0.046 nan 4.420 nan 0.000 0.231 414 P C 0.118 177.489 177.300 0.118 0.000 1.168 414 P CA 0.480 63.490 63.100 -0.150 0.000 0.779 414 P CB 0.821 32.676 31.700 0.259 0.000 0.844 415 D N -0.576 119.820 120.400 -0.007 0.000 2.417 415 D HA 0.006 4.646 4.640 0.000 0.000 0.207 415 D C 0.729 177.016 176.300 -0.021 0.000 1.075 415 D CA 0.419 54.439 54.000 0.033 0.000 0.851 415 D CB 0.076 40.892 40.800 0.027 0.000 0.976 415 D HN 0.191 nan 8.370 nan 0.000 0.505 416 S N 0.877 116.515 115.700 -0.103 0.000 2.531 416 S HA 0.277 4.747 4.470 0.000 0.000 0.279 416 S C 0.175 174.731 174.600 -0.073 0.000 1.305 416 S CA -0.641 57.496 58.200 -0.106 0.000 1.058 416 S CB 1.366 64.460 63.200 -0.177 0.000 0.899 416 S HN -0.138 nan 8.310 nan 0.000 0.493 417 V N 4.454 124.345 119.914 -0.039 0.000 2.427 417 V HA 0.483 4.603 4.120 0.000 0.000 0.286 417 V C 0.189 176.264 176.094 -0.031 0.000 1.034 417 V CA -0.575 61.714 62.300 -0.019 0.000 0.893 417 V CB 0.960 32.784 31.823 0.002 0.000 0.982 417 V HN 0.906 nan 8.190 nan 0.000 0.452 418 K N 2.186 122.570 120.400 -0.027 0.000 2.422 418 K HA 0.507 4.827 4.320 0.000 0.000 0.251 418 K C -0.662 175.937 176.600 -0.001 0.000 0.933 418 K CA -0.722 55.550 56.287 -0.024 0.000 0.798 418 K CB 2.258 34.733 32.500 -0.041 0.000 1.238 418 K HN 0.572 nan 8.250 nan 0.000 0.428 419 T N 3.152 117.707 114.554 0.002 0.000 2.738 419 T HA 0.220 4.570 4.350 0.000 0.000 0.293 419 T C 0.581 175.293 174.700 0.020 0.000 0.913 419 T CA -0.267 61.842 62.100 0.016 0.000 1.103 419 T CB -0.221 68.653 68.868 0.011 0.000 0.880 419 T HN 0.304 nan 8.240 nan 0.000 0.526 420 I N 3.237 123.835 120.570 0.046 0.000 2.648 420 I HA 0.259 4.429 4.170 0.000 0.000 0.284 420 I C 0.800 176.949 176.117 0.053 0.000 1.153 420 I CA 0.482 61.825 61.300 0.071 0.000 1.426 420 I CB 0.699 38.777 38.000 0.130 0.000 1.381 420 I HN 0.520 nan 8.210 nan 0.000 0.571 421 S N 3.433 119.139 115.700 0.010 0.000 2.558 421 S HA 0.516 4.986 4.470 0.000 0.000 0.277 421 S C 0.408 174.850 174.600 -0.264 0.000 1.143 421 S CA -0.062 58.088 58.200 -0.083 0.000 0.865 421 S CB 1.441 64.593 63.200 -0.080 0.000 1.102 421 S HN 0.678 nan 8.310 nan 0.000 0.454 422 A N 3.214 125.777 122.820 -0.428 0.000 2.070 422 A HA -0.024 4.297 4.320 0.000 0.000 0.220 422 A C 1.682 178.890 177.584 -0.627 0.000 1.159 422 A CA 1.543 53.025 52.037 -0.924 0.000 0.656 422 A CB -0.492 18.192 19.000 -0.526 0.000 0.800 422 A HN 0.818 nan 8.150 nan 0.000 0.453 423 K N -1.254 118.960 120.400 -0.310 0.000 2.432 423 K HA 0.036 4.356 4.320 0.000 0.000 0.196 423 K C 0.886 177.419 176.600 -0.112 0.000 1.038 423 K CA 1.355 57.540 56.287 -0.171 0.000 0.986 423 K CB -0.116 32.316 32.500 -0.113 0.000 0.782 423 K HN 0.280 nan 8.250 nan 0.000 0.485 424 T N 0.483 114.968 114.554 -0.116 0.000 2.959 424 T HA 0.004 4.354 4.350 0.000 0.000 0.254 424 T C 0.311 175.040 174.700 0.048 0.000 1.003 424 T CA -0.324 61.757 62.100 -0.032 0.000 0.950 424 T CB -0.010 68.843 68.868 -0.026 0.000 1.090 424 T HN 0.491 nan 8.240 nan 0.000 0.503 425 H N 0.714 119.780 119.070 -0.006 0.000 2.757 425 H HA 0.282 4.838 4.556 -0.000 0.000 0.370 425 H C -0.137 175.181 175.328 -0.018 0.000 1.172 425 H CA -0.359 55.691 56.048 0.002 0.000 1.426 425 H CB 0.447 30.227 29.762 0.030 0.000 1.438 425 H HN -0.103 nan 8.280 nan 0.000 0.612 426 N N 0.699 119.445 118.700 0.077 0.000 2.322 426 N HA -0.003 4.737 4.740 0.000 0.000 0.216 426 N C -0.370 175.040 175.510 -0.168 0.000 1.144 426 N CA -0.050 52.971 53.050 -0.050 0.000 0.830 426 N CB 0.520 38.946 38.487 -0.103 0.000 1.034 426 N HN 0.528 nan 8.380 nan 0.000 0.484 427 S N -0.876 114.613 115.700 -0.351 0.000 2.687 427 S HA 0.264 4.734 4.470 0.000 0.000 0.283 427 S C 1.374 175.857 174.600 -0.194 0.000 1.170 427 S CA -0.613 57.360 58.200 -0.379 0.000 1.008 427 S CB 1.001 63.849 63.200 -0.586 0.000 1.026 427 S HN 0.251 nan 8.310 nan 0.000 0.541 428 S N 2.183 117.823 115.700 -0.100 0.000 2.461 428 S HA 0.103 4.573 4.470 0.000 0.000 0.228 428 S C 0.648 175.285 174.600 0.063 0.000 1.005 428 S CA -0.007 58.191 58.200 -0.004 0.000 0.942 428 S CB -0.705 62.486 63.200 -0.015 0.000 0.776 428 S HN 0.533 nan 8.310 nan 0.000 0.514 429 L N 2.494 123.749 121.223 0.053 0.000 2.499 429 L HA 0.153 4.493 4.340 0.000 0.000 0.281 429 L C 1.352 178.356 176.870 0.223 0.000 1.234 429 L CA 0.511 55.434 54.840 0.139 0.000 0.839 429 L CB 0.062 42.191 42.059 0.117 0.000 1.104 429 L HN 0.099 nan 8.230 nan 0.000 0.500 430 E N 0.772 121.062 120.200 0.150 0.000 2.285 430 E HA -0.014 4.336 4.350 0.000 0.000 0.194 430 E C -0.798 175.670 176.600 -0.219 0.000 0.997 430 E CA 0.957 57.346 56.400 -0.017 0.000 0.845 430 E CB -0.005 29.696 29.700 0.001 0.000 0.782 430 E HN 0.427 nan 8.360 nan 0.000 0.491 431 Y N -0.283 120.060 120.300 0.073 0.000 2.485 431 Y HA 0.422 4.972 4.550 -0.000 0.000 0.345 431 Y C -0.337 175.591 175.900 0.046 0.000 0.998 431 Y CA -1.117 56.998 58.100 0.025 0.000 1.059 431 Y CB 1.759 40.222 38.460 0.005 0.000 1.234 431 Y HN -0.231 nan 8.280 nan 0.000 0.461 432 N N 2.388 121.159 118.700 0.119 0.000 2.296 432 N HA 0.322 5.062 4.740 0.000 0.000 0.294 432 N C 0.522 175.918 175.510 -0.190 0.000 1.033 432 N CA -0.561 52.500 53.050 0.019 0.000 0.839 432 N CB 1.076 39.616 38.487 0.089 0.000 1.395 432 N HN 0.728 nan 8.380 nan 0.000 0.479 433 I N -0.361 119.867 120.570 -0.569 0.000 3.001 433 I HA 0.089 4.259 4.170 0.000 0.000 0.268 433 I C -0.285 175.391 176.117 -0.736 0.000 1.267 433 I CA 0.818 61.515 61.300 -1.005 0.000 1.472 433 I CB -0.220 36.797 38.000 -1.638 0.000 1.089 433 I HN 0.347 nan 8.210 nan 0.000 0.468 434 F N 1.431 121.345 119.950 -0.061 0.000 2.684 434 F HA 0.367 4.894 4.527 0.000 0.000 0.298 434 F C 0.857 176.669 175.800 0.021 0.000 1.120 434 F CA -1.117 56.891 58.000 0.013 0.000 1.332 434 F CB -0.713 38.309 39.000 0.037 0.000 0.986 434 F HN 0.010 nan 8.300 nan 0.000 0.524 435 E N 0.917 121.172 120.200 0.092 0.000 2.558 435 E HA 0.310 4.660 4.350 0.000 0.000 0.255 435 E C 1.418 178.065 176.600 0.077 0.000 0.968 435 E CA 1.102 57.539 56.400 0.062 0.000 0.939 435 E CB 0.156 29.873 29.700 0.028 0.000 0.921 435 E HN 0.521 nan 8.360 nan 0.000 0.477 436 G N 3.946 112.784 108.800 0.064 0.000 2.179 436 G HA2 -0.358 3.603 3.960 0.000 0.000 0.260 436 G HA3 -0.358 3.603 3.960 0.000 0.000 0.260 436 G C 0.410 175.357 174.900 0.078 0.000 0.977 436 G CA 0.280 45.416 45.100 0.059 0.000 0.641 436 G HN 0.610 nan 8.290 nan 0.000 0.533 437 M N 2.254 121.920 119.600 0.110 0.000 2.268 437 M HA 0.298 4.779 4.480 0.000 0.000 0.349 437 M C 0.114 176.456 176.300 0.071 0.000 1.485 437 M CA 0.042 55.407 55.300 0.107 0.000 1.094 437 M CB 0.230 32.917 32.600 0.145 0.000 1.843 437 M HN 0.171 nan 8.290 nan 0.000 0.460 438 E N 4.568 124.802 120.200 0.057 0.000 2.290 438 E HA 0.164 4.514 4.350 0.000 0.000 0.277 438 E C -1.146 175.480 176.600 0.044 0.000 1.035 438 E CA -0.101 56.324 56.400 0.041 0.000 0.873 438 E CB 1.327 31.048 29.700 0.036 0.000 1.029 438 E HN 0.657 nan 8.360 nan 0.000 0.419 439 C N 4.441 123.764 119.300 0.038 0.000 2.432 439 C HA 0.311 4.771 4.460 0.000 0.000 0.334 439 C C 0.107 175.132 174.990 0.059 0.000 1.155 439 C CA -0.654 58.394 59.018 0.050 0.000 1.335 439 C CB 0.546 28.307 27.740 0.035 0.000 1.964 439 C HN 0.740 nan 8.230 nan 0.000 0.444 440 R N 2.973 123.538 120.500 0.108 0.000 2.390 440 R HA 0.544 4.884 4.340 0.000 0.000 0.291 440 R C 0.357 176.813 176.300 0.259 0.000 1.070 440 R CA 1.337 57.529 56.100 0.154 0.000 1.014 440 R CB 0.720 31.133 30.300 0.188 0.000 1.007 440 R HN 1.306 nan 8.270 nan 0.000 0.466 441 G N 1.962 110.767 108.800 0.008 0.000 3.225 441 G HA2 -0.050 3.910 3.960 0.000 0.000 0.686 441 G HA3 -0.050 3.910 3.960 0.000 0.000 0.686 441 G C -1.120 173.335 174.900 -0.741 0.000 1.105 441 G CA -0.363 44.495 45.100 -0.404 0.000 0.831 441 G HN 0.835 nan 8.290 nan 0.000 0.578 442 S N 2.060 116.873 115.700 -1.479 0.000 2.552 442 S HA 0.863 5.333 4.470 0.000 0.000 0.272 442 S C -3.298 170.556 174.600 -1.244 0.000 1.150 442 S CA -1.096 56.386 58.200 -1.196 0.000 0.849 442 S CB 3.075 65.967 63.200 -0.514 0.000 1.113 442 S HN 0.849 nan 8.310 nan 0.000 0.458 443 P HA 0.306 nan 4.420 nan 0.000 0.276 443 P C 0.295 177.481 177.300 -0.189 0.000 1.235 443 P CA -0.510 62.460 63.100 -0.216 0.000 0.772 443 P CB 0.702 32.423 31.700 0.035 0.000 0.871 444 L N 2.873 124.013 121.223 -0.139 0.000 2.071 444 L HA 0.089 4.429 4.340 0.000 0.000 0.201 444 L C 0.933 177.782 176.870 -0.035 0.000 1.076 444 L CA 1.037 55.825 54.840 -0.088 0.000 0.755 444 L CB -0.245 41.775 42.059 -0.066 0.000 0.915 444 L HN 0.135 nan 8.230 nan 0.000 0.445 445 V N -0.031 119.881 119.914 -0.004 0.000 2.715 445 V HA 0.453 4.573 4.120 0.000 0.000 0.310 445 V C -0.403 175.712 176.094 0.034 0.000 1.054 445 V CA -0.711 61.599 62.300 0.016 0.000 0.928 445 V CB 2.426 34.262 31.823 0.021 0.000 1.007 445 V HN -0.143 nan 8.190 nan 0.000 0.437 446 V N 4.824 124.758 119.914 0.033 0.000 2.588 446 V HA 0.578 4.699 4.120 0.000 0.000 0.304 446 V C -0.574 175.540 176.094 0.033 0.000 1.042 446 V CA -0.414 61.910 62.300 0.041 0.000 0.877 446 V CB 1.922 33.768 31.823 0.037 0.000 0.996 446 V HN 0.704 nan 8.190 nan 0.000 0.425 447 I N 3.364 123.951 120.570 0.027 0.000 2.447 447 I HA 0.494 4.664 4.170 0.000 0.000 0.287 447 I C -0.140 175.986 176.117 0.014 0.000 1.023 447 I CA -0.116 61.194 61.300 0.018 0.000 1.083 447 I CB 2.071 40.075 38.000 0.006 0.000 1.245 447 I HN 0.661 nan 8.210 nan 0.000 0.434 448 S N 5.230 120.940 115.700 0.016 0.000 2.501 448 S HA 0.336 4.806 4.470 0.000 0.000 0.301 448 S C 0.171 174.777 174.600 0.009 0.000 1.096 448 S CA -0.284 57.926 58.200 0.016 0.000 1.063 448 S CB 1.203 64.419 63.200 0.027 0.000 1.042 448 S HN 0.716 nan 8.310 nan 0.000 0.494 449 Q N 2.128 121.930 119.800 0.003 0.000 2.405 449 Q HA -0.253 4.087 4.340 0.000 0.000 0.265 449 Q C 0.958 176.947 176.000 -0.018 0.000 1.096 449 Q CA 0.891 56.691 55.803 -0.005 0.000 0.982 449 Q CB -2.209 26.534 28.738 0.008 0.000 1.426 449 Q HN 1.668 nan 8.270 nan 0.000 0.527 450 G N -0.454 108.330 108.800 -0.026 0.000 2.159 450 G HA2 -0.312 3.648 3.960 0.000 0.000 0.256 450 G HA3 -0.312 3.648 3.960 0.000 0.000 0.256 450 G C -0.061 174.820 174.900 -0.032 0.000 0.977 450 G CA 0.600 45.674 45.100 -0.043 0.000 0.652 450 G HN 0.283 nan 8.290 nan 0.000 0.531 451 K N -0.292 120.101 120.400 -0.011 0.000 2.259 451 K HA 0.626 4.946 4.320 0.000 0.000 0.252 451 K C 0.134 176.742 176.600 0.015 0.000 0.936 451 K CA -1.069 55.218 56.287 -0.000 0.000 0.810 451 K CB 1.891 34.396 32.500 0.009 0.000 1.143 451 K HN 0.142 nan 8.250 nan 0.000 0.427 452 I N 3.343 123.926 120.570 0.021 0.000 2.494 452 I HA -0.077 4.093 4.170 0.000 0.000 0.289 452 I C 1.240 177.408 176.117 0.086 0.000 1.106 452 I CA 0.008 61.336 61.300 0.046 0.000 1.369 452 I CB 0.536 38.565 38.000 0.049 0.000 1.410 452 I HN 0.479 nan 8.210 nan 0.000 0.523 453 V N 4.664 124.623 119.914 0.076 0.000 3.643 453 V HA 0.376 4.496 4.120 0.000 0.000 0.280 453 V C -0.006 176.117 176.094 0.047 0.000 1.351 453 V CA -0.045 62.304 62.300 0.082 0.000 1.073 453 V CB 0.336 32.185 31.823 0.043 0.000 0.863 453 V HN 0.534 nan 8.190 nan 0.000 0.436 454 L N 0.733 121.981 121.223 0.042 0.000 2.505 454 L HA 0.799 5.140 4.340 0.000 0.000 0.266 454 L C -1.132 175.752 176.870 0.023 0.000 0.954 454 L CA -0.050 54.786 54.840 -0.006 0.000 0.852 454 L CB 2.022 44.066 42.059 -0.024 0.000 1.282 454 L HN 0.365 nan 8.230 nan 0.000 0.403 455 E N 2.801 123.010 120.200 0.015 0.000 2.380 455 E HA 0.301 4.651 4.350 0.000 0.000 0.281 455 E C -1.163 175.447 176.600 0.018 0.000 0.999 455 E CA -0.484 55.939 56.400 0.037 0.000 0.800 455 E CB 1.410 31.164 29.700 0.089 0.000 1.228 455 E HN 0.728 nan 8.360 nan 0.000 0.436 456 D N 2.267 122.674 120.400 0.012 0.000 2.737 456 D HA -0.217 4.423 4.640 0.000 0.000 0.233 456 D C 0.629 176.914 176.300 -0.024 0.000 1.155 456 D CA 1.846 55.847 54.000 0.002 0.000 0.667 456 D CB -1.443 39.372 40.800 0.025 0.000 1.060 456 D HN 0.967 nan 8.370 nan 0.000 0.427 457 G N -1.137 107.637 108.800 -0.044 0.000 2.160 457 G HA2 -0.303 3.657 3.960 0.000 0.000 0.251 457 G HA3 -0.303 3.657 3.960 0.000 0.000 0.251 457 G C 0.281 175.130 174.900 -0.086 0.000 1.008 457 G CA 0.681 45.744 45.100 -0.062 0.000 0.724 457 G HN 0.544 nan 8.290 nan 0.000 0.514 458 T N 0.460 114.938 114.554 -0.126 0.000 2.848 458 T HA 0.592 4.942 4.350 0.000 0.000 0.285 458 T C -0.172 174.300 174.700 -0.380 0.000 0.995 458 T CA -0.637 61.321 62.100 -0.237 0.000 0.970 458 T CB 1.759 70.465 68.868 -0.269 0.000 0.976 458 T HN 0.241 nan 8.240 nan 0.000 0.441 459 L N 3.448 124.476 121.223 -0.325 0.000 2.305 459 L HA 0.386 4.726 4.340 0.000 0.000 0.281 459 L C 0.307 176.962 176.870 -0.359 0.000 1.085 459 L CA 0.028 54.709 54.840 -0.265 0.000 0.813 459 L CB -0.000 41.971 42.059 -0.147 0.000 1.157 459 L HN 0.735 nan 8.230 nan 0.000 0.436 460 H N 1.625 120.697 119.070 0.002 0.000 2.348 460 H HA 0.447 5.003 4.556 0.000 0.000 0.232 460 H C -0.624 174.718 175.328 0.022 0.000 1.419 460 H CA -0.723 55.334 56.048 0.015 0.000 1.416 460 H CB 0.832 30.601 29.762 0.011 0.000 1.510 460 H HN 0.426 nan 8.280 nan 0.000 0.507 461 V N -0.282 119.704 119.914 0.120 0.000 2.539 461 V HA 0.555 4.675 4.120 0.000 0.000 0.292 461 V C 0.325 176.512 176.094 0.156 0.000 1.045 461 V CA -0.595 61.768 62.300 0.105 0.000 0.945 461 V CB 1.859 33.704 31.823 0.037 0.000 0.993 461 V HN 0.363 nan 8.190 nan 0.000 0.464 462 T N 3.776 118.410 114.554 0.133 0.000 2.770 462 T HA 0.326 4.676 4.350 0.000 0.000 0.297 462 T C -0.089 174.704 174.700 0.155 0.000 0.997 462 T CA -0.126 62.047 62.100 0.122 0.000 0.949 462 T CB 0.753 69.663 68.868 0.071 0.000 0.941 462 T HN 1.007 nan 8.240 nan 0.000 0.457 463 E N 2.033 122.335 120.200 0.170 0.000 2.465 463 E HA 0.266 4.616 4.350 0.000 0.000 0.260 463 E C 1.293 177.930 176.600 0.061 0.000 0.980 463 E CA 0.968 57.453 56.400 0.140 0.000 0.927 463 E CB -0.069 29.518 29.700 -0.189 0.000 0.934 463 E HN 0.950 nan 8.360 nan 0.000 0.459 464 G N 2.879 111.725 108.800 0.077 0.000 2.179 464 G HA2 -0.364 3.596 3.960 0.000 0.000 0.260 464 G HA3 -0.364 3.596 3.960 0.000 0.000 0.260 464 G C 0.821 175.755 174.900 0.056 0.000 0.977 464 G CA 0.826 45.950 45.100 0.040 0.000 0.641 464 G HN 0.778 nan 8.290 nan 0.000 0.533 465 S N -0.138 115.605 115.700 0.073 0.000 2.528 465 S HA 0.462 4.932 4.470 0.000 0.000 0.219 465 S C 1.504 176.158 174.600 0.089 0.000 0.985 465 S CA 1.050 59.292 58.200 0.070 0.000 0.914 465 S CB 0.186 63.424 63.200 0.063 0.000 0.776 465 S HN 1.673 nan 8.310 nan 0.000 0.526 466 G N 1.554 110.424 108.800 0.116 0.000 2.406 466 G HA2 0.440 4.400 3.960 0.000 0.000 0.251 466 G HA3 0.440 4.400 3.960 0.000 0.000 0.251 466 G C -0.346 174.697 174.900 0.239 0.000 1.271 466 G CA -0.769 44.435 45.100 0.174 0.000 0.859 466 G HN 0.480 nan 8.290 nan 0.000 0.540 467 R N 0.379 120.998 120.500 0.198 0.000 2.500 467 R HA 0.222 4.562 4.340 0.000 0.000 0.277 467 R C -0.770 175.577 176.300 0.079 0.000 1.026 467 R CA -0.764 55.432 56.100 0.159 0.000 1.058 467 R CB 1.252 31.586 30.300 0.057 0.000 1.078 467 R HN 0.611 nan 8.270 nan 0.000 0.509 468 Y N 2.895 123.083 120.300 -0.187 0.000 2.442 468 Y HA 0.093 4.643 4.550 0.000 0.000 0.330 468 Y C -0.372 175.330 175.900 -0.330 0.000 1.129 468 Y CA -0.196 57.536 58.100 -0.613 0.000 1.365 468 Y CB 0.555 38.760 38.460 -0.426 0.000 1.233 468 Y HN 0.337 nan 8.280 nan 0.000 0.529 469 I N 9.695 129.698 120.570 -0.945 0.000 2.330 469 I HA 0.248 4.418 4.170 0.000 0.000 0.286 469 I C -2.429 173.145 176.117 -0.906 0.000 1.025 469 I CA -2.646 58.260 61.300 -0.658 0.000 1.197 469 I CB 0.885 38.635 38.000 -0.417 0.000 1.358 469 I HN 0.491 nan 8.210 nan 0.000 0.467 470 P HA 0.357 nan 4.420 nan 0.000 0.279 470 P C -0.773 176.394 177.300 -0.222 0.000 1.239 470 P CA -0.569 62.310 63.100 -0.368 0.000 0.789 470 P CB 0.913 32.571 31.700 -0.071 0.000 0.933 471 R N 2.103 122.509 120.500 -0.157 0.000 2.360 471 R HA 0.351 4.691 4.340 0.000 0.000 0.318 471 R C 0.176 176.450 176.300 -0.043 0.000 0.950 471 R CA -0.773 55.272 56.100 -0.092 0.000 0.837 471 R CB 1.781 32.025 30.300 -0.093 0.000 1.165 471 R HN 0.377 nan 8.270 nan 0.000 0.458 472 K N 3.914 124.301 120.400 -0.021 0.000 2.295 472 K HA 0.187 4.507 4.320 0.000 0.000 0.270 472 K C -1.966 174.621 176.600 -0.021 0.000 1.011 472 K CA -1.408 54.875 56.287 -0.006 0.000 0.953 472 K CB 0.503 33.014 32.500 0.018 0.000 0.956 472 K HN 0.288 nan 8.250 nan 0.000 0.477 473 P HA 0.049 nan 4.420 nan 0.000 0.277 473 P C -0.527 176.686 177.300 -0.145 0.000 1.276 473 P CA -0.300 62.660 63.100 -0.232 0.000 0.788 473 P CB 0.167 31.622 31.700 -0.408 0.000 1.114 474 F N -3.607 116.167 119.950 -0.294 0.000 2.891 474 F HA -0.136 4.391 4.527 -0.000 0.000 0.272 474 F C -1.683 174.105 175.800 -0.021 0.000 1.004 474 F CA -0.129 57.667 58.000 -0.340 0.000 0.938 474 F CB -2.793 36.053 39.000 -0.256 0.000 0.939 474 F HN 0.237 nan 8.300 nan 0.000 0.833 475 P HA 0.042 nan 4.420 nan 0.000 0.266 475 P C 0.875 178.346 177.300 0.285 0.000 1.215 475 P CA 0.138 63.361 63.100 0.204 0.000 0.763 475 P CB 0.882 32.670 31.700 0.146 0.000 0.806 476 D N 2.351 122.892 120.400 0.234 0.000 2.154 476 D HA -0.242 4.398 4.640 0.000 0.000 0.190 476 D C 1.401 177.836 176.300 0.225 0.000 1.003 476 D CA 1.386 55.515 54.000 0.216 0.000 0.849 476 D CB -0.753 40.150 40.800 0.171 0.000 0.942 476 D HN 0.377 nan 8.370 nan 0.000 0.446 477 F N 0.740 120.723 119.950 0.055 0.000 2.147 477 F HA -0.252 4.275 4.527 -0.001 0.000 0.301 477 F C 2.094 177.932 175.800 0.065 0.000 1.084 477 F CA 1.154 59.166 58.000 0.020 0.000 1.268 477 F CB -0.078 38.890 39.000 -0.053 0.000 1.009 477 F HN -0.138 nan 8.300 nan 0.000 0.486 478 V N -2.065 117.943 119.914 0.158 0.000 2.521 478 V HA -0.173 3.947 4.120 0.000 0.000 0.239 478 V C 1.695 177.781 176.094 -0.014 0.000 1.053 478 V CA 1.239 63.580 62.300 0.070 0.000 1.073 478 V CB -0.866 31.049 31.823 0.153 0.000 0.746 478 V HN 0.222 nan 8.190 nan 0.000 0.476 479 Y N 0.421 120.782 120.300 0.101 0.000 2.519 479 Y HA 0.056 4.607 4.550 0.000 0.000 0.287 479 Y C 2.394 178.343 175.900 0.081 0.000 1.128 479 Y CA 0.859 59.037 58.100 0.129 0.000 1.282 479 Y CB 0.032 38.650 38.460 0.264 0.000 1.027 479 Y HN 0.136 nan 8.280 nan 0.000 0.551 480 K N 0.099 120.583 120.400 0.141 0.000 2.026 480 K HA -0.197 4.124 4.320 0.000 0.000 0.208 480 K C 2.089 178.701 176.600 0.020 0.000 1.048 480 K CA 1.460 57.793 56.287 0.077 0.000 0.929 480 K CB -0.103 32.432 32.500 0.059 0.000 0.713 480 K HN 0.273 nan 8.250 nan 0.000 0.439 481 R N 0.569 121.053 120.500 -0.027 0.000 2.081 481 R HA -0.097 4.243 4.340 0.000 0.000 0.235 481 R C 2.350 178.614 176.300 -0.060 0.000 1.131 481 R CA 1.375 57.441 56.100 -0.058 0.000 0.960 481 R CB -0.372 29.866 30.300 -0.102 0.000 0.856 481 R HN 0.185 nan 8.270 nan 0.000 0.436 482 I N 0.878 121.393 120.570 -0.092 0.000 2.163 482 I HA -0.325 3.845 4.170 0.000 0.000 0.243 482 I C 2.321 178.445 176.117 0.011 0.000 1.085 482 I CA 1.476 62.717 61.300 -0.099 0.000 1.347 482 I CB -0.187 37.627 38.000 -0.310 0.000 1.044 482 I HN 0.125 nan 8.210 nan 0.000 0.408 483 K N 0.558 121.005 120.400 0.078 0.000 2.074 483 K HA -0.211 4.109 4.320 0.000 0.000 0.209 483 K C 2.167 178.783 176.600 0.026 0.000 1.048 483 K CA 1.634 57.964 56.287 0.072 0.000 0.926 483 K CB -0.243 32.297 32.500 0.067 0.000 0.713 483 K HN 0.358 nan 8.250 nan 0.000 0.444 484 A N 1.062 123.888 122.820 0.009 0.000 1.933 484 A HA -0.161 4.159 4.320 0.000 0.000 0.218 484 A C 1.903 179.482 177.584 -0.008 0.000 1.175 484 A CA 1.349 53.383 52.037 -0.004 0.000 0.628 484 A CB -0.303 18.690 19.000 -0.012 0.000 0.814 484 A HN 0.241 nan 8.150 nan 0.000 0.444 485 R N -0.385 120.107 120.500 -0.014 0.000 2.236 485 R HA 0.062 4.402 4.340 0.000 0.000 0.208 485 R C 2.140 178.437 176.300 -0.005 0.000 1.036 485 R CA 0.990 57.080 56.100 -0.017 0.000 1.001 485 R CB -0.145 30.136 30.300 -0.031 0.000 0.896 485 R HN 0.439 nan 8.270 nan 0.000 0.464 486 S N 0.868 116.571 115.700 0.005 0.000 2.406 486 S HA -0.034 4.436 4.470 0.000 0.000 0.228 486 S C 1.531 176.136 174.600 0.010 0.000 1.020 486 S CA 0.930 59.139 58.200 0.014 0.000 0.965 486 S CB 0.024 63.243 63.200 0.031 0.000 0.798 486 S HN 0.314 nan 8.310 nan 0.000 0.488 487 R N 0.413 120.916 120.500 0.005 0.000 2.313 487 R HA 0.243 4.583 4.340 0.000 0.000 0.199 487 R C 0.202 176.502 176.300 -0.000 0.000 0.958 487 R CA 0.109 56.210 56.100 0.002 0.000 1.047 487 R CB -0.196 30.104 30.300 -0.001 0.000 0.955 487 R HN 0.329 nan 8.270 nan 0.000 0.481 488 L N -0.246 120.976 121.223 -0.001 0.000 2.448 488 L HA 0.503 4.843 4.340 0.000 0.000 0.258 488 L C 0.407 177.277 176.870 0.000 0.000 1.104 488 L CA -0.772 54.066 54.840 -0.003 0.000 0.800 488 L CB 0.882 42.937 42.059 -0.007 0.000 1.241 488 L HN 0.033 nan 8.230 nan 0.000 0.472 489 A N 0.000 122.820 122.820 -0.000 0.000 2.254 489 A HA 0.000 4.320 4.320 0.000 0.000 0.244 489 A CA 0.000 52.038 52.037 0.002 0.000 0.836 489 A CB 0.000 19.001 19.000 0.002 0.000 0.831 489 A HN 0.000 nan 8.150 nan 0.000 0.486