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 2vm8_1_D 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 RSRLAE 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 0.000 176.301 176.300 0.002 0.000 2.045 15 D CA 0.000 54.000 54.000 -0.000 0.000 0.868 15 D CB 0.000 40.802 40.800 0.003 0.000 0.688 16 R N 0.383 120.906 120.500 0.040 0.000 2.694 16 R HA 0.649 4.989 4.340 -0.000 0.000 0.268 16 R C -0.409 175.952 176.300 0.102 0.000 1.061 16 R CA -0.213 55.949 56.100 0.104 0.000 1.133 16 R CB 0.279 30.691 30.300 0.186 0.000 1.020 16 R HN 0.334 nan 8.270 nan 0.000 0.475 17 L N 1.796 123.116 121.223 0.162 0.000 2.643 17 L HA 0.481 4.821 4.340 -0.000 0.000 0.257 17 L C -2.198 174.800 176.870 0.214 0.000 0.922 17 L CA -0.719 54.192 54.840 0.118 0.000 0.909 17 L CB 1.983 44.060 42.059 0.030 0.000 1.424 17 L HN 0.501 nan 8.230 nan 0.000 0.422 18 L N 4.882 126.195 121.223 0.150 0.000 2.381 18 L HA 0.724 5.064 4.340 -0.000 0.000 0.268 18 L C -1.329 175.576 176.870 0.058 0.000 0.997 18 L CA -0.247 54.680 54.840 0.144 0.000 0.818 18 L CB 1.937 44.048 42.059 0.087 0.000 1.310 18 L HN 0.555 nan 8.230 nan 0.000 0.416 19 I N 4.436 125.036 120.570 0.049 0.000 2.382 19 I HA 0.394 4.563 4.170 -0.000 0.000 0.286 19 I C -0.468 175.654 176.117 0.007 0.000 1.002 19 I CA -0.665 60.640 61.300 0.008 0.000 1.135 19 I CB 1.299 39.299 38.000 -0.001 0.000 1.288 19 I HN 0.490 nan 8.210 nan 0.000 0.448 20 K N 4.014 124.404 120.400 -0.017 0.000 2.221 20 K HA 0.595 4.915 4.320 -0.000 0.000 0.258 20 K C 0.655 177.246 176.600 -0.015 0.000 0.944 20 K CA -0.387 55.896 56.287 -0.007 0.000 0.823 20 K CB 1.921 34.415 32.500 -0.010 0.000 1.113 20 K HN 0.873 nan 8.250 nan 0.000 0.431 21 G N 1.562 110.379 108.800 0.029 0.000 2.157 21 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.248 21 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.248 21 G C 0.391 175.354 174.900 0.105 0.000 0.979 21 G CA -0.158 44.982 45.100 0.066 0.000 0.650 21 G HN 0.840 nan 8.290 nan 0.000 0.529 22 G N -0.619 108.220 108.800 0.065 0.000 2.528 22 G HA2 0.534 4.494 3.960 -0.000 0.000 0.289 22 G HA3 0.534 4.494 3.960 -0.000 0.000 0.289 22 G C -0.128 174.805 174.900 0.054 0.000 1.192 22 G CA -0.105 45.026 45.100 0.051 0.000 0.921 22 G HN 0.423 nan 8.290 nan 0.000 0.512 23 K N 0.967 121.330 120.400 -0.061 0.000 2.292 23 K HA 0.320 4.639 4.320 -0.000 0.000 0.270 23 K C 0.049 176.452 176.600 -0.329 0.000 1.062 23 K CA -0.456 55.613 56.287 -0.364 0.000 0.916 23 K CB 0.368 32.575 32.500 -0.489 0.000 1.166 23 K HN 0.355 nan 8.250 nan 0.000 0.458 24 I N 4.111 124.399 120.570 -0.470 0.000 2.618 24 I HA 0.012 4.182 4.170 -0.000 0.000 0.284 24 I C -0.171 175.716 176.117 -0.384 0.000 1.146 24 I CA -0.423 60.582 61.300 -0.492 0.000 1.425 24 I CB 1.055 38.532 38.000 -0.871 0.000 1.383 24 I HN 0.219 nan 8.210 nan 0.000 0.562 25 V N 6.710 126.513 119.914 -0.185 0.000 2.325 25 V HA 0.299 4.419 4.120 -0.000 0.000 0.280 25 V C 0.052 176.147 176.094 0.001 0.000 1.016 25 V CA -0.742 61.522 62.300 -0.060 0.000 0.818 25 V CB 0.864 32.684 31.823 -0.004 0.000 1.019 25 V HN 0.661 nan 8.190 nan 0.000 0.434 26 N N 2.750 121.483 118.700 0.055 0.000 2.478 26 N HA 0.233 4.973 4.740 -0.000 0.000 0.275 26 N C 1.091 176.651 175.510 0.084 0.000 1.221 26 N CA -0.383 52.721 53.050 0.090 0.000 0.979 26 N CB 1.204 39.788 38.487 0.162 0.000 1.202 26 N HN 0.731 nan 8.380 nan 0.000 0.564 27 D N -0.512 119.931 120.400 0.071 0.000 2.224 27 D HA -0.157 4.483 4.640 -0.000 0.000 0.205 27 D C 0.580 176.911 176.300 0.052 0.000 0.965 27 D CA 1.009 55.035 54.000 0.044 0.000 0.852 27 D CB -0.060 40.742 40.800 0.003 0.000 0.947 27 D HN 0.577 nan 8.370 nan 0.000 0.494 28 D N 0.478 120.922 120.400 0.073 0.000 2.120 28 D HA -0.124 4.516 4.640 -0.000 0.000 0.202 28 D C 1.284 177.628 176.300 0.074 0.000 0.972 28 D CA 1.102 55.141 54.000 0.065 0.000 0.837 28 D CB -0.247 40.593 40.800 0.066 0.000 0.989 28 D HN 0.597 nan 8.370 nan 0.000 0.469 29 Q N -1.854 118.012 119.800 0.110 0.000 2.707 29 Q HA 0.619 4.959 4.340 -0.000 0.000 0.307 29 Q C -1.592 174.518 176.000 0.184 0.000 0.934 29 Q CA -1.024 54.856 55.803 0.129 0.000 0.753 29 Q CB 1.438 30.249 28.738 0.122 0.000 1.478 29 Q HN -0.116 nan 8.270 nan 0.000 0.458 30 S N 0.609 116.410 115.700 0.169 0.000 2.500 30 S HA 0.873 5.343 4.470 -0.000 0.000 0.301 30 S C -1.561 173.138 174.600 0.165 0.000 1.092 30 S CA -0.610 57.642 58.200 0.087 0.000 1.030 30 S CB 0.704 63.895 63.200 -0.015 0.000 1.031 30 S HN 0.512 nan 8.310 nan 0.000 0.483 31 F N 0.008 119.880 119.950 -0.130 0.000 2.650 31 F HA 0.590 5.117 4.527 -0.000 0.000 0.310 31 F C -1.790 173.928 175.800 -0.137 0.000 1.112 31 F CA -1.517 56.420 58.000 -0.106 0.000 0.986 31 F CB 0.285 39.283 39.000 -0.003 0.000 1.285 31 F HN 0.403 nan 8.300 nan 0.000 0.440 32 Y N 2.384 122.751 120.300 0.113 0.000 2.402 32 Y HA 0.619 5.169 4.550 -0.000 0.000 0.333 32 Y C 0.547 176.497 175.900 0.085 0.000 1.076 32 Y CA 0.499 58.621 58.100 0.036 0.000 1.299 32 Y CB 0.767 39.265 38.460 0.063 0.000 1.197 32 Y HN 1.042 nan 8.280 nan 0.000 0.517 33 A N 2.210 125.113 122.820 0.138 0.000 2.597 33 A HA 0.488 4.808 4.320 -0.000 0.000 0.292 33 A C -1.731 175.894 177.584 0.069 0.000 1.057 33 A CA -1.199 50.919 52.037 0.134 0.000 0.674 33 A CB 0.992 20.108 19.000 0.194 0.000 1.278 33 A HN 0.522 nan 8.150 nan 0.000 0.416 34 D N 0.817 121.265 120.400 0.081 0.000 2.304 34 D HA 0.566 5.206 4.640 -0.000 0.000 0.247 34 D C -0.101 176.243 176.300 0.074 0.000 1.089 34 D CA 0.395 54.432 54.000 0.062 0.000 0.910 34 D CB 0.960 41.794 40.800 0.057 0.000 1.199 34 D HN 0.465 nan 8.370 nan 0.000 0.426 35 I N 1.170 121.779 120.570 0.066 0.000 2.460 35 I HA 0.312 4.482 4.170 -0.000 0.000 0.298 35 I C -0.907 175.305 176.117 0.159 0.000 0.989 35 I CA -1.098 60.251 61.300 0.081 0.000 1.173 35 I CB 1.351 39.367 38.000 0.028 0.000 1.338 35 I HN 0.221 nan 8.210 nan 0.000 0.456 36 Y N 6.363 126.667 120.300 0.007 0.000 2.346 36 Y HA 0.667 5.217 4.550 -0.000 0.000 0.332 36 Y C -1.203 174.698 175.900 0.002 0.000 0.985 36 Y CA -1.217 56.885 58.100 0.004 0.000 1.112 36 Y CB 1.618 40.082 38.460 0.008 0.000 1.170 36 Y HN 0.521 nan 8.280 nan 0.000 0.447 37 M N 4.212 123.505 119.600 -0.513 0.000 2.777 37 M HA 0.607 5.087 4.480 -0.000 0.000 0.307 37 M C -1.213 174.710 176.300 -0.627 0.000 1.228 37 M CA -0.702 54.313 55.300 -0.475 0.000 0.871 37 M CB 2.652 35.139 32.600 -0.189 0.000 1.721 37 M HN 0.714 nan 8.290 nan 0.000 0.487 38 E N -0.341 119.639 120.200 -0.366 0.000 2.419 38 E HA 0.148 4.498 4.350 -0.000 0.000 0.285 38 E C -1.658 174.864 176.600 -0.131 0.000 1.079 38 E CA -0.469 55.798 56.400 -0.223 0.000 0.864 38 E CB 1.106 30.669 29.700 -0.229 0.000 1.216 38 E HN 0.703 nan 8.360 nan 0.000 0.428 39 D N 2.490 122.845 120.400 -0.075 0.000 2.701 39 D HA -0.193 4.447 4.640 -0.000 0.000 0.235 39 D C 0.706 176.974 176.300 -0.052 0.000 1.155 39 D CA 2.262 56.231 54.000 -0.050 0.000 0.649 39 D CB -1.411 39.364 40.800 -0.042 0.000 1.050 39 D HN 1.049 nan 8.370 nan 0.000 0.425 40 G N -1.621 107.146 108.800 -0.055 0.000 2.168 40 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.263 40 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.263 40 G C 0.307 175.170 174.900 -0.061 0.000 0.977 40 G CA 0.707 45.778 45.100 -0.048 0.000 0.659 40 G HN 0.533 nan 8.290 nan 0.000 0.533 41 L N -0.602 120.570 121.223 -0.085 0.000 2.309 41 L HA 0.679 5.019 4.340 -0.000 0.000 0.261 41 L C 0.388 177.183 176.870 -0.125 0.000 1.021 41 L CA -1.426 53.359 54.840 -0.091 0.000 0.823 41 L CB 1.958 43.966 42.059 -0.084 0.000 1.366 41 L HN -0.022 nan 8.230 nan 0.000 0.423 42 I N 1.852 122.361 120.570 -0.102 0.000 2.297 42 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 42 I C 0.633 176.691 176.117 -0.098 0.000 1.033 42 I CA -0.364 60.875 61.300 -0.102 0.000 1.253 42 I CB 1.103 39.072 38.000 -0.053 0.000 1.396 42 I HN 0.566 nan 8.210 nan 0.000 0.476 43 K N 4.663 124.970 120.400 -0.155 0.000 2.168 43 K HA 0.214 4.534 4.320 -0.000 0.000 0.201 43 K C 0.227 176.842 176.600 0.026 0.000 1.049 43 K CA 0.885 57.115 56.287 -0.096 0.000 0.974 43 K CB 0.308 32.688 32.500 -0.201 0.000 0.792 43 K HN 0.593 nan 8.250 nan 0.000 0.463 44 Q N -0.005 119.846 119.800 0.086 0.000 2.379 44 Q HA 0.534 4.874 4.340 -0.000 0.000 0.278 44 Q C -1.005 175.076 176.000 0.136 0.000 1.068 44 Q CA -0.431 55.458 55.803 0.144 0.000 0.816 44 Q CB 2.996 31.871 28.738 0.229 0.000 1.387 44 Q HN -0.014 nan 8.270 nan 0.000 0.413 45 I N 0.886 121.531 120.570 0.125 0.000 2.534 45 I HA 0.824 4.993 4.170 -0.000 0.000 0.288 45 I C -0.003 176.204 176.117 0.151 0.000 1.077 45 I CA -0.598 60.790 61.300 0.147 0.000 1.051 45 I CB 2.092 40.205 38.000 0.188 0.000 1.234 45 I HN 0.829 nan 8.210 nan 0.000 0.425 46 G N 4.855 113.743 108.800 0.147 0.000 2.317 46 G HA2 0.251 4.210 3.960 -0.000 0.000 0.293 46 G HA3 0.251 4.210 3.960 -0.000 0.000 0.293 46 G C -1.849 173.118 174.900 0.112 0.000 1.287 46 G CA -0.614 44.567 45.100 0.136 0.000 0.850 46 G HN 0.365 nan 8.290 nan 0.000 0.515 47 E N 0.224 120.481 120.200 0.095 0.000 2.222 47 E HA 0.408 4.757 4.350 -0.000 0.000 0.272 47 E C -0.079 176.549 176.600 0.046 0.000 0.982 47 E CA -0.677 55.765 56.400 0.071 0.000 0.842 47 E CB 1.026 30.768 29.700 0.070 0.000 1.144 47 E HN 0.514 nan 8.360 nan 0.000 0.397 48 N N 0.388 119.105 118.700 0.030 0.000 2.699 48 N HA -0.205 4.535 4.740 -0.000 0.000 0.256 48 N C -0.659 174.856 175.510 0.008 0.000 0.993 48 N CA 0.224 53.282 53.050 0.013 0.000 0.759 48 N CB -0.957 37.537 38.487 0.012 0.000 0.906 48 N HN 0.233 nan 8.380 nan 0.000 0.541 49 L N 0.513 121.739 121.223 0.005 0.000 2.474 49 L HA 0.202 4.542 4.340 -0.000 0.000 0.259 49 L C 1.353 178.199 176.870 -0.041 0.000 1.232 49 L CA 0.032 54.871 54.840 -0.003 0.000 0.821 49 L CB 0.144 42.206 42.059 0.005 0.000 1.108 49 L HN 0.370 nan 8.230 nan 0.000 0.495 50 I N 3.115 123.660 120.570 -0.041 0.000 2.224 50 I HA 0.154 4.324 4.170 -0.000 0.000 0.293 50 I C -0.415 175.612 176.117 -0.149 0.000 1.155 50 I CA -0.037 61.224 61.300 -0.064 0.000 1.297 50 I CB 0.531 38.516 38.000 -0.024 0.000 1.487 50 I HN 0.242 nan 8.210 nan 0.000 0.564 51 V N 9.245 129.021 119.914 -0.230 0.000 2.617 51 V HA 0.530 4.650 4.120 -0.000 0.000 0.298 51 V C -1.613 174.329 176.094 -0.254 0.000 1.048 51 V CA -1.120 60.923 62.300 -0.428 0.000 0.964 51 V CB 1.231 32.771 31.823 -0.471 0.000 1.004 51 V HN 0.671 nan 8.190 nan 0.000 0.466 52 P HA 0.356 nan 4.420 nan 0.000 0.335 52 P C 0.583 177.832 177.300 -0.085 0.000 1.379 52 P CA 0.446 63.483 63.100 -0.105 0.000 0.794 52 P CB -0.043 31.631 31.700 -0.043 0.000 1.849 53 G N -1.202 107.572 108.800 -0.044 0.000 2.722 53 G HA2 0.224 4.184 3.960 -0.000 0.000 0.201 53 G HA3 0.224 4.184 3.960 -0.000 0.000 0.201 53 G C 1.121 176.006 174.900 -0.024 0.000 1.926 53 G CA 0.279 45.361 45.100 -0.031 0.000 0.872 53 G HN 0.576 nan 8.290 nan 0.000 0.581 54 G N 0.069 108.864 108.800 -0.009 0.000 3.186 54 G HA2 0.286 4.246 3.960 -0.000 0.000 0.214 54 G HA3 0.286 4.246 3.960 -0.000 0.000 0.214 54 G C 0.350 175.251 174.900 0.002 0.000 1.222 54 G CA -0.178 44.919 45.100 -0.004 0.000 0.921 54 G HN 0.332 nan 8.290 nan 0.000 0.504 55 V N 0.536 120.451 119.914 0.003 0.000 2.557 55 V HA -0.019 4.101 4.120 -0.000 0.000 0.301 55 V C 1.026 177.133 176.094 0.020 0.000 1.026 55 V CA -0.228 62.089 62.300 0.029 0.000 1.137 55 V CB 0.621 32.464 31.823 0.033 0.000 0.917 55 V HN 0.483 nan 8.190 nan 0.000 0.484 56 K N 4.179 124.594 120.400 0.025 0.000 2.430 56 K HA 0.076 4.396 4.320 -0.000 0.000 0.280 56 K C 0.071 176.678 176.600 0.013 0.000 1.063 56 K CA 0.183 56.476 56.287 0.010 0.000 1.071 56 K CB 0.112 32.612 32.500 0.000 0.000 0.899 56 K HN 0.831 nan 8.250 nan 0.000 0.473 57 T N 5.164 119.717 114.554 -0.001 0.000 2.902 57 T HA 0.460 4.809 4.350 -0.000 0.000 0.283 57 T C -0.048 174.639 174.700 -0.022 0.000 1.009 57 T CA -0.571 61.525 62.100 -0.006 0.000 1.051 57 T CB 0.719 69.580 68.868 -0.013 0.000 0.999 57 T HN 0.475 nan 8.240 nan 0.000 0.474 58 I N 2.098 122.650 120.570 -0.031 0.000 2.498 58 I HA 0.303 4.473 4.170 -0.000 0.000 0.290 58 I C -0.210 175.847 176.117 -0.100 0.000 1.032 58 I CA -0.841 60.424 61.300 -0.059 0.000 1.073 58 I CB 2.009 39.980 38.000 -0.048 0.000 1.251 58 I HN 0.387 nan 8.210 nan 0.000 0.426 59 E N 4.870 124.963 120.200 -0.178 0.000 2.055 59 E HA 0.335 4.685 4.350 -0.000 0.000 0.274 59 E C 0.277 176.570 176.600 -0.511 0.000 0.949 59 E CA -0.225 55.958 56.400 -0.363 0.000 0.775 59 E CB 1.968 31.382 29.700 -0.477 0.000 1.097 59 E HN 0.748 nan 8.360 nan 0.000 0.404 60 A N 2.636 125.270 122.820 -0.309 0.000 2.072 60 A HA -0.031 4.288 4.320 -0.000 0.000 0.216 60 A C 0.271 177.804 177.584 -0.087 0.000 1.156 60 A CA 0.346 52.281 52.037 -0.169 0.000 0.701 60 A CB -0.535 18.428 19.000 -0.062 0.000 0.816 60 A HN 0.920 nan 8.150 nan 0.000 0.458 61 H N -0.355 118.734 119.070 0.032 0.000 2.680 61 H HA -0.156 4.400 4.556 -0.000 0.000 0.328 61 H C 0.770 176.135 175.328 0.061 0.000 1.139 61 H CA 0.134 56.202 56.048 0.034 0.000 1.124 61 H CB -1.954 27.818 29.762 0.017 0.000 1.584 61 H HN 0.584 nan 8.280 nan 0.000 0.410 62 S N -1.836 113.986 115.700 0.202 0.000 3.270 62 S HA -0.280 4.189 4.470 -0.000 0.000 0.293 62 S C 0.739 175.449 174.600 0.183 0.000 1.278 62 S CA 1.225 59.582 58.200 0.262 0.000 1.038 62 S CB -0.616 62.722 63.200 0.231 0.000 1.218 62 S HN 0.598 nan 8.310 nan 0.000 0.659 63 R N 0.486 121.053 120.500 0.112 0.000 2.490 63 R HA 0.418 4.758 4.340 -0.000 0.000 0.278 63 R C 0.753 177.073 176.300 0.033 0.000 1.069 63 R CA -0.289 55.849 56.100 0.063 0.000 1.080 63 R CB 0.230 30.550 30.300 0.033 0.000 1.030 63 R HN 0.415 nan 8.270 nan 0.000 0.491 64 M N 1.919 121.539 119.600 0.035 0.000 2.284 64 M HA 0.001 4.481 4.480 -0.000 0.000 0.351 64 M C -0.229 176.079 176.300 0.014 0.000 1.443 64 M CA 0.605 55.915 55.300 0.017 0.000 1.031 64 M CB 0.279 32.914 32.600 0.059 0.000 1.893 64 M HN 0.118 nan 8.290 nan 0.000 0.456 65 V N 6.258 126.150 119.914 -0.037 0.000 2.409 65 V HA 0.609 4.729 4.120 -0.000 0.000 0.291 65 V C -0.055 176.013 176.094 -0.043 0.000 1.020 65 V CA -0.675 61.605 62.300 -0.034 0.000 0.848 65 V CB 1.240 33.025 31.823 -0.064 0.000 0.990 65 V HN 0.804 nan 8.190 nan 0.000 0.430 66 I N 2.598 123.164 120.570 -0.006 0.000 3.042 66 I HA 0.772 4.942 4.170 -0.000 0.000 0.310 66 I C -2.911 173.202 176.117 -0.007 0.000 1.117 66 I CA -3.068 58.227 61.300 -0.007 0.000 1.003 66 I CB 2.792 40.797 38.000 0.008 0.000 1.228 66 I HN 0.320 nan 8.210 nan 0.000 0.443 67 P HA 0.140 nan 4.420 nan 0.000 0.268 67 P C 0.074 177.363 177.300 -0.019 0.000 1.205 67 P CA 0.189 63.279 63.100 -0.016 0.000 0.771 67 P CB 0.525 32.216 31.700 -0.015 0.000 0.858 68 G N 2.692 111.488 108.800 -0.007 0.000 2.484 68 G HA2 0.339 4.299 3.960 -0.000 0.000 0.235 68 G HA3 0.339 4.299 3.960 -0.000 0.000 0.235 68 G C 0.577 175.465 174.900 -0.020 0.000 1.282 68 G CA -0.096 45.006 45.100 0.003 0.000 0.857 68 G HN 0.607 nan 8.290 nan 0.000 0.571 69 G N -0.500 108.287 108.800 -0.022 0.000 2.594 69 G HA2 0.429 4.389 3.960 -0.000 0.000 0.243 69 G HA3 0.429 4.389 3.960 -0.000 0.000 0.243 69 G C -0.195 174.697 174.900 -0.013 0.000 1.229 69 G CA -0.560 44.510 45.100 -0.050 0.000 0.843 69 G HN 0.648 nan 8.290 nan 0.000 0.578 70 I N 0.936 121.498 120.570 -0.013 0.000 2.410 70 I HA 0.152 4.322 4.170 -0.000 0.000 0.286 70 I C -0.906 175.236 176.117 0.041 0.000 1.009 70 I CA -0.697 60.613 61.300 0.016 0.000 1.111 70 I CB 2.076 40.086 38.000 0.016 0.000 1.262 70 I HN 0.303 nan 8.210 nan 0.000 0.443 71 D N 6.333 126.769 120.400 0.060 0.000 2.441 71 D HA 0.096 4.736 4.640 -0.000 0.000 0.221 71 D C 1.071 177.432 176.300 0.102 0.000 1.156 71 D CA -0.205 53.849 54.000 0.090 0.000 0.896 71 D CB 1.558 42.414 40.800 0.094 0.000 1.028 71 D HN 0.425 nan 8.370 nan 0.000 0.509 72 V N 1.991 121.999 119.914 0.156 0.000 3.383 72 V HA 0.032 4.152 4.120 -0.000 0.000 0.272 72 V C 0.437 176.695 176.094 0.273 0.000 1.181 72 V CA 0.804 63.213 62.300 0.182 0.000 1.171 72 V CB -1.051 30.984 31.823 0.354 0.000 0.800 72 V HN 0.623 nan 8.190 nan 0.000 0.515 73 H N 0.435 119.592 119.070 0.145 0.000 2.895 73 H HA 0.441 4.997 4.556 -0.000 0.000 0.282 73 H C -0.310 175.065 175.328 0.078 0.000 1.338 73 H CA 0.121 56.287 56.048 0.197 0.000 1.595 73 H CB 0.618 30.513 29.762 0.222 0.000 1.771 73 H HN 0.541 nan 8.280 nan 0.000 0.573 74 T N 1.109 115.760 114.554 0.161 0.000 2.952 74 T HA 0.539 4.889 4.350 -0.000 0.000 0.286 74 T C 0.371 175.040 174.700 -0.051 0.000 1.024 74 T CA -1.111 60.836 62.100 -0.255 0.000 1.029 74 T CB 2.231 70.376 68.868 -1.206 0.000 1.094 74 T HN 0.623 nan 8.240 nan 0.000 0.515 75 R N 0.531 120.896 120.500 -0.225 0.000 2.593 75 R HA 0.261 4.600 4.340 -0.000 0.000 0.258 75 R C -1.172 175.127 176.300 -0.002 0.000 1.410 75 R CA -0.516 55.601 56.100 0.027 0.000 1.537 75 R CB 0.133 30.530 30.300 0.161 0.000 1.362 75 R HN 0.429 nan 8.270 nan 0.000 0.734 76 F N 2.804 122.617 119.950 -0.229 0.000 2.538 76 F HA -0.021 4.505 4.527 -0.000 0.000 0.371 76 F C 1.538 177.068 175.800 -0.450 0.000 1.087 76 F CA -0.261 57.424 58.000 -0.525 0.000 1.250 76 F CB 0.419 38.736 39.000 -1.139 0.000 1.110 76 F HN 0.385 nan 8.300 nan 0.000 0.570 77 Q N 0.946 120.664 119.800 -0.137 0.000 2.461 77 Q HA -0.317 4.022 4.340 -0.000 0.000 0.273 77 Q C -0.209 175.723 176.000 -0.115 0.000 1.163 77 Q CA 0.605 56.282 55.803 -0.209 0.000 0.929 77 Q CB -1.903 26.620 28.738 -0.358 0.000 1.334 77 Q HN 0.761 nan 8.270 nan 0.000 0.499 78 M N 1.497 121.142 119.600 0.075 0.000 2.252 78 M HA 0.200 4.680 4.480 -0.000 0.000 0.348 78 M C -2.035 174.411 176.300 0.243 0.000 1.334 78 M CA -1.341 54.130 55.300 0.286 0.000 1.071 78 M CB 0.605 33.418 32.600 0.355 0.000 1.763 78 M HN 0.011 nan 8.290 nan 0.000 0.452 79 P HA 0.233 nan 4.420 nan 0.000 0.276 79 P C -1.775 175.697 177.300 0.286 0.000 1.230 79 P CA -0.001 63.252 63.100 0.256 0.000 0.776 79 P CB 0.558 32.422 31.700 0.272 0.000 0.888 80 D N 0.826 121.372 120.400 0.242 0.000 2.648 80 D HA 0.061 4.701 4.640 -0.000 0.000 0.244 80 D C -0.602 175.744 176.300 0.076 0.000 1.244 80 D CA -0.678 53.412 54.000 0.149 0.000 0.772 80 D CB 0.637 41.506 40.800 0.115 0.000 1.379 80 D HN 0.281 nan 8.370 nan 0.000 0.428 81 Q N 0.145 119.962 119.800 0.029 0.000 2.385 81 Q HA -0.180 4.160 4.340 -0.000 0.000 0.311 81 Q C 1.145 177.160 176.000 0.026 0.000 1.259 81 Q CA 1.473 57.278 55.803 0.003 0.000 0.921 81 Q CB -1.807 26.908 28.738 -0.038 0.000 1.209 81 Q HN 1.114 nan 8.270 nan 0.000 0.473 82 G N -1.955 106.878 108.800 0.055 0.000 2.253 82 G HA2 -0.350 3.609 3.960 -0.000 0.000 0.251 82 G HA3 -0.350 3.609 3.960 -0.000 0.000 0.251 82 G C 0.231 175.177 174.900 0.076 0.000 0.998 82 G CA 0.385 45.521 45.100 0.059 0.000 0.621 82 G HN 0.340 nan 8.290 nan 0.000 0.524 83 M N 0.764 120.427 119.600 0.106 0.000 2.494 83 M HA 0.610 5.090 4.480 -0.000 0.000 0.300 83 M C 0.002 176.424 176.300 0.204 0.000 1.189 83 M CA -0.121 55.274 55.300 0.159 0.000 0.982 83 M CB 1.791 34.526 32.600 0.225 0.000 1.534 83 M HN 0.071 nan 8.290 nan 0.000 0.488 84 T N 0.190 114.843 114.554 0.164 0.000 2.848 84 T HA 0.263 4.613 4.350 -0.000 0.000 0.285 84 T C -0.420 174.235 174.700 -0.075 0.000 0.995 84 T CA -0.678 61.454 62.100 0.055 0.000 0.970 84 T CB 1.658 70.480 68.868 -0.076 0.000 0.976 84 T HN 0.696 nan 8.240 nan 0.000 0.441 85 S N 1.483 117.024 115.700 -0.264 0.000 2.558 85 S HA 0.193 4.662 4.470 -0.000 0.000 0.291 85 S C 1.572 175.913 174.600 -0.431 0.000 1.306 85 S CA 0.023 57.776 58.200 -0.746 0.000 1.056 85 S CB 0.152 63.028 63.200 -0.539 0.000 0.836 85 S HN 0.848 nan 8.310 nan 0.000 0.504 86 A N 3.719 126.269 122.820 -0.451 0.000 2.066 86 A HA 0.107 4.427 4.320 -0.000 0.000 0.218 86 A C 0.557 178.041 177.584 -0.166 0.000 1.157 86 A CA 0.685 52.590 52.037 -0.220 0.000 0.670 86 A CB -0.097 18.814 19.000 -0.150 0.000 0.804 86 A HN 0.835 nan 8.150 nan 0.000 0.453 87 D N 1.108 121.410 120.400 -0.163 0.000 2.349 87 D HA 0.255 4.895 4.640 -0.000 0.000 0.232 87 D C -0.699 175.470 176.300 -0.218 0.000 1.071 87 D CA -0.317 53.584 54.000 -0.165 0.000 0.832 87 D CB 1.336 42.075 40.800 -0.101 0.000 1.086 87 D HN 0.495 nan 8.370 nan 0.000 0.504 88 D N 0.731 120.993 120.400 -0.231 0.000 2.478 88 D HA 0.027 4.667 4.640 -0.000 0.000 0.274 88 D C 0.887 176.992 176.300 -0.326 0.000 1.234 88 D CA -0.477 53.388 54.000 -0.225 0.000 1.069 88 D CB 0.393 41.105 40.800 -0.145 0.000 1.113 88 D HN 0.100 nan 8.370 nan 0.000 0.571 89 F N -1.181 118.688 119.950 -0.135 0.000 2.502 89 F HA 0.039 4.566 4.527 -0.000 0.000 0.298 89 F C 1.866 177.546 175.800 -0.201 0.000 1.111 89 F CA 0.365 58.288 58.000 -0.128 0.000 1.445 89 F CB -0.301 38.694 39.000 -0.007 0.000 1.081 89 F HN 0.316 nan 8.300 nan 0.000 0.558 90 F N 0.490 120.376 119.950 -0.106 0.000 2.147 90 F HA -0.077 4.450 4.527 -0.000 0.000 0.291 90 F C 2.491 178.154 175.800 -0.228 0.000 1.093 90 F CA 1.210 59.131 58.000 -0.131 0.000 1.263 90 F CB -0.579 38.361 39.000 -0.099 0.000 1.036 90 F HN -0.161 nan 8.300 nan 0.000 0.481 91 Q N 0.725 120.355 119.800 -0.283 0.000 2.172 91 Q HA 0.067 4.407 4.340 -0.000 0.000 0.200 91 Q C 2.276 177.915 176.000 -0.601 0.000 0.964 91 Q CA 1.761 57.319 55.803 -0.408 0.000 0.855 91 Q CB -0.983 27.658 28.738 -0.161 0.000 0.918 91 Q HN 0.486 nan 8.270 nan 0.000 0.444 92 G N -0.663 107.628 108.800 -0.848 0.000 2.421 92 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.216 92 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.216 92 G C 1.488 175.720 174.900 -1.113 0.000 1.171 92 G CA 1.631 45.825 45.100 -1.509 0.000 0.775 92 G HN 0.563 nan 8.290 nan 0.000 0.543 93 T N -0.950 113.140 114.554 -0.773 0.000 2.851 93 T HA 0.044 4.394 4.350 -0.000 0.000 0.262 93 T C 2.125 176.629 174.700 -0.327 0.000 1.043 93 T CA 1.485 63.383 62.100 -0.337 0.000 1.140 93 T CB -0.200 68.575 68.868 -0.155 0.000 0.872 93 T HN 0.319 nan 8.240 nan 0.000 0.446 94 K N 1.600 121.702 120.400 -0.496 0.000 2.074 94 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 94 K C 2.568 178.983 176.600 -0.307 0.000 1.048 94 K CA 1.489 57.503 56.287 -0.454 0.000 0.926 94 K CB -0.647 31.428 32.500 -0.708 0.000 0.713 94 K HN 0.436 nan 8.250 nan 0.000 0.444 95 A N 0.863 123.477 122.820 -0.344 0.000 1.877 95 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 95 A C 2.321 179.808 177.584 -0.161 0.000 1.186 95 A CA 1.921 53.806 52.037 -0.254 0.000 0.620 95 A CB -0.813 17.984 19.000 -0.339 0.000 0.822 95 A HN 0.496 nan 8.150 nan 0.000 0.443 96 A N -0.240 122.491 122.820 -0.149 0.000 1.858 96 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 96 A C 2.191 179.767 177.584 -0.013 0.000 1.190 96 A CA 1.564 53.582 52.037 -0.031 0.000 0.617 96 A CB -0.744 18.286 19.000 0.049 0.000 0.827 96 A HN 0.464 nan 8.150 nan 0.000 0.443 97 L N -0.641 120.559 121.223 -0.038 0.000 2.013 97 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 97 L C 2.926 179.791 176.870 -0.008 0.000 1.073 97 L CA 1.324 56.154 54.840 -0.017 0.000 0.753 97 L CB -0.434 41.602 42.059 -0.038 0.000 0.890 97 L HN 0.436 nan 8.230 nan 0.000 0.432 98 A N -0.531 122.266 122.820 -0.038 0.000 2.216 98 A HA -0.006 4.313 4.320 -0.000 0.000 0.214 98 A C 2.132 179.716 177.584 0.000 0.000 1.160 98 A CA 1.314 53.334 52.037 -0.028 0.000 0.725 98 A CB -0.745 18.223 19.000 -0.054 0.000 0.784 98 A HN 0.489 nan 8.150 nan 0.000 0.472 99 G N -2.314 106.501 108.800 0.024 0.000 2.833 99 G HA2 0.381 4.341 3.960 -0.000 0.000 0.210 99 G HA3 0.381 4.341 3.960 -0.000 0.000 0.210 99 G C 1.028 176.017 174.900 0.147 0.000 1.139 99 G CA 0.523 45.667 45.100 0.073 0.000 0.771 99 G HN 1.517 nan 8.290 nan 0.000 0.535 100 G N -0.862 108.008 108.800 0.116 0.000 2.192 100 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.193 100 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.193 100 G C 0.278 175.234 174.900 0.093 0.000 0.999 100 G CA 0.133 45.322 45.100 0.148 0.000 0.659 100 G HN 0.529 nan 8.290 nan 0.000 0.503 101 T N 1.785 116.380 114.554 0.069 0.000 2.851 101 T HA 0.467 4.816 4.350 -0.000 0.000 0.298 101 T C 1.455 176.181 174.700 0.044 0.000 0.977 101 T CA 0.846 62.976 62.100 0.050 0.000 1.126 101 T CB 1.390 70.294 68.868 0.060 0.000 0.916 101 T HN 0.671 nan 8.240 nan 0.000 0.529 102 T N 0.100 114.675 114.554 0.035 0.000 3.044 102 T HA 0.427 4.777 4.350 -0.000 0.000 0.260 102 T C 0.205 174.929 174.700 0.040 0.000 1.019 102 T CA -0.393 61.727 62.100 0.033 0.000 0.921 102 T CB 0.107 68.988 68.868 0.021 0.000 1.053 102 T HN 0.537 nan 8.240 nan 0.000 0.533 103 M N 1.743 121.369 119.600 0.044 0.000 2.470 103 M HA 0.654 5.133 4.480 -0.000 0.000 0.285 103 M C -2.175 174.168 176.300 0.072 0.000 1.213 103 M CA -1.424 53.909 55.300 0.054 0.000 0.901 103 M CB 2.501 35.107 32.600 0.010 0.000 1.718 103 M HN 0.278 nan 8.290 nan 0.000 0.469 104 I N 1.868 122.506 120.570 0.114 0.000 2.689 104 I HA 0.661 4.831 4.170 -0.000 0.000 0.299 104 I C -1.567 174.590 176.117 0.066 0.000 1.059 104 I CA -0.619 60.750 61.300 0.114 0.000 1.055 104 I CB 2.068 40.195 38.000 0.211 0.000 1.243 104 I HN 0.613 nan 8.210 nan 0.000 0.425 105 I N 4.180 124.735 120.570 -0.024 0.000 2.439 105 I HA 0.411 4.581 4.170 -0.000 0.000 0.283 105 I C -0.610 175.451 176.117 -0.095 0.000 1.023 105 I CA -0.409 60.781 61.300 -0.183 0.000 1.100 105 I CB 1.228 38.919 38.000 -0.514 0.000 1.238 105 I HN 0.700 nan 8.210 nan 0.000 0.445 106 D N 4.403 124.802 120.400 -0.003 0.000 2.539 106 D HA 0.391 5.031 4.640 -0.000 0.000 0.276 106 D C -0.682 175.602 176.300 -0.027 0.000 1.206 106 D CA -0.203 53.873 54.000 0.127 0.000 1.081 106 D CB 1.312 42.360 40.800 0.413 0.000 1.142 106 D HN 0.479 nan 8.370 nan 0.000 0.595 107 H N 0.050 119.184 119.070 0.106 0.000 2.906 107 H HA 0.251 4.807 4.556 -0.000 0.000 0.324 107 H C -0.697 174.385 175.328 -0.409 0.000 0.973 107 H CA -0.577 55.437 56.048 -0.058 0.000 1.321 107 H CB 1.509 31.268 29.762 -0.006 0.000 1.535 107 H HN 0.022 nan 8.280 nan 0.000 0.518 108 V N 4.429 123.960 119.914 -0.638 0.000 2.521 108 V HA 0.011 4.130 4.120 -0.000 0.000 0.286 108 V C 0.416 175.931 176.094 -0.965 0.000 1.034 108 V CA -0.156 61.285 62.300 -1.432 0.000 1.045 108 V CB 1.006 32.399 31.823 -0.717 0.000 0.974 108 V HN 0.430 nan 8.190 nan 0.000 0.480 109 V N 7.609 126.760 119.914 -1.272 0.000 2.325 109 V HA 0.331 4.451 4.120 -0.000 0.000 0.280 109 V C -2.290 173.741 176.094 -0.105 0.000 1.016 109 V CA -1.761 60.308 62.300 -0.384 0.000 0.818 109 V CB 1.384 33.165 31.823 -0.069 0.000 1.019 109 V HN 0.757 nan 8.190 nan 0.000 0.434 110 P HA 0.278 nan 4.420 nan 0.000 0.276 110 P C -0.261 177.120 177.300 0.135 0.000 1.235 110 P CA -0.233 62.914 63.100 0.077 0.000 0.772 110 P CB 0.909 32.641 31.700 0.054 0.000 0.871 111 E N 5.107 125.429 120.200 0.204 0.000 2.376 111 E HA 0.150 4.500 4.350 -0.000 0.000 0.266 111 E C -2.064 174.652 176.600 0.193 0.000 1.009 111 E CA -1.741 54.796 56.400 0.229 0.000 0.902 111 E CB -0.447 29.375 29.700 0.203 0.000 0.972 111 E HN 0.335 nan 8.360 nan 0.000 0.439 112 P HA -0.002 nan 4.420 nan 0.000 0.264 112 P C 0.348 177.736 177.300 0.146 0.000 1.179 112 P CA 1.197 64.411 63.100 0.191 0.000 0.763 112 P CB 0.531 32.354 31.700 0.206 0.000 0.806 113 G N 0.875 109.761 108.800 0.143 0.000 2.148 113 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.254 113 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.254 113 G C 0.146 175.111 174.900 0.108 0.000 0.981 113 G CA 0.425 45.593 45.100 0.114 0.000 0.670 113 G HN 0.912 nan 8.290 nan 0.000 0.528 114 T N -2.159 112.469 114.554 0.122 0.000 2.900 114 T HA 0.742 5.092 4.350 -0.000 0.000 0.295 114 T C 0.120 174.882 174.700 0.104 0.000 1.044 114 T CA 0.515 62.679 62.100 0.107 0.000 0.995 114 T CB 1.920 70.855 68.868 0.111 0.000 1.072 114 T HN 1.587 nan 8.240 nan 0.000 0.473 115 S N 3.111 118.864 115.700 0.087 0.000 2.565 115 S HA 0.283 4.753 4.470 -0.000 0.000 0.276 115 S C 1.504 176.147 174.600 0.072 0.000 1.326 115 S CA -0.979 57.267 58.200 0.077 0.000 1.045 115 S CB 0.018 63.256 63.200 0.063 0.000 0.918 115 S HN 0.707 nan 8.310 nan 0.000 0.505 116 L N 2.491 123.752 121.223 0.065 0.000 2.079 116 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 116 L C 2.127 179.037 176.870 0.067 0.000 1.081 116 L CA 1.365 56.246 54.840 0.068 0.000 0.752 116 L CB -0.908 41.198 42.059 0.078 0.000 0.896 116 L HN 0.717 nan 8.230 nan 0.000 0.433 117 L N -0.480 120.768 121.223 0.040 0.000 2.109 117 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 117 L C 2.920 179.812 176.870 0.036 0.000 1.086 117 L CA 0.942 55.784 54.840 0.004 0.000 0.760 117 L CB -0.844 41.212 42.059 -0.005 0.000 0.910 117 L HN 0.139 nan 8.230 nan 0.000 0.437 118 A N 0.720 123.566 122.820 0.043 0.000 1.859 118 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 118 A C 2.556 180.171 177.584 0.052 0.000 1.198 118 A CA 2.284 54.344 52.037 0.038 0.000 0.629 118 A CB -1.057 17.971 19.000 0.047 0.000 0.830 118 A HN 0.384 nan 8.150 nan 0.000 0.446 119 A N -1.926 120.952 122.820 0.097 0.000 1.972 119 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 119 A C 2.055 179.738 177.584 0.164 0.000 1.169 119 A CA 1.607 53.743 52.037 0.165 0.000 0.635 119 A CB -0.644 18.436 19.000 0.132 0.000 0.810 119 A HN 0.726 nan 8.150 nan 0.000 0.446 120 F N 0.685 120.599 119.950 -0.059 0.000 2.206 120 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 120 F C 1.890 177.603 175.800 -0.146 0.000 1.090 120 F CA 1.646 59.574 58.000 -0.120 0.000 1.323 120 F CB -0.004 38.869 39.000 -0.211 0.000 1.028 120 F HN 0.227 nan 8.300 nan 0.000 0.492 121 D N 0.064 120.456 120.400 -0.013 0.000 2.097 121 D HA -0.241 4.399 4.640 -0.000 0.000 0.195 121 D C 2.029 178.183 176.300 -0.243 0.000 0.989 121 D CA 1.587 55.512 54.000 -0.125 0.000 0.827 121 D CB -0.338 40.422 40.800 -0.066 0.000 0.966 121 D HN 0.422 nan 8.370 nan 0.000 0.456 122 Q N 0.155 119.803 119.800 -0.254 0.000 1.975 122 Q HA -0.172 4.168 4.340 -0.000 0.000 0.205 122 Q C 2.279 177.776 176.000 -0.838 0.000 0.990 122 Q CA 1.548 57.022 55.803 -0.549 0.000 0.845 122 Q CB -0.355 28.068 28.738 -0.525 0.000 0.913 122 Q HN 0.357 nan 8.270 nan 0.000 0.420 123 W N 0.686 121.529 121.300 -0.763 0.000 2.318 123 W HA -0.222 4.438 4.660 -0.000 0.000 0.313 123 W C 2.158 178.404 176.519 -0.455 0.000 1.221 123 W CA 1.442 58.481 57.345 -0.511 0.000 1.266 123 W CB -0.223 29.086 29.460 -0.251 0.000 1.150 123 W HN 0.300 nan 8.180 nan 0.000 0.496 124 R N 0.231 120.542 120.500 -0.315 0.000 2.127 124 R HA -0.186 4.154 4.340 -0.000 0.000 0.238 124 R C 1.895 178.059 176.300 -0.226 0.000 1.134 124 R CA 1.496 57.403 56.100 -0.322 0.000 0.975 124 R CB -0.946 29.059 30.300 -0.492 0.000 0.865 124 R HN 0.428 nan 8.270 nan 0.000 0.447 125 E N -0.538 119.502 120.200 -0.267 0.000 2.072 125 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 125 E C 1.581 178.149 176.600 -0.052 0.000 0.982 125 E CA 0.609 56.907 56.400 -0.169 0.000 0.803 125 E CB -0.013 29.562 29.700 -0.209 0.000 0.755 125 E HN 0.242 nan 8.360 nan 0.000 0.453 126 W N 0.733 121.893 121.300 -0.233 0.000 2.333 126 W HA -0.087 4.573 4.660 -0.000 0.000 0.316 126 W C 2.477 178.758 176.519 -0.396 0.000 1.215 126 W CA 1.185 58.373 57.345 -0.261 0.000 1.278 126 W CB -1.294 27.996 29.460 -0.283 0.000 1.154 126 W HN 0.203 nan 8.180 nan 0.000 0.486 127 A N 0.048 122.593 122.820 -0.459 0.000 1.929 127 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 127 A C 1.825 179.143 177.584 -0.443 0.000 1.176 127 A CA 1.808 53.298 52.037 -0.911 0.000 0.628 127 A CB -0.791 17.318 19.000 -1.485 0.000 0.816 127 A HN 0.116 nan 8.150 nan 0.000 0.444 128 D N 0.384 120.682 120.400 -0.170 0.000 2.123 128 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 128 D C 2.445 178.746 176.300 0.001 0.000 0.992 128 D CA 1.962 55.967 54.000 0.008 0.000 0.833 128 D CB -0.247 40.571 40.800 0.030 0.000 0.954 128 D HN 0.594 nan 8.370 nan 0.000 0.455 129 S N -0.178 115.512 115.700 -0.017 0.000 2.425 129 S HA 0.011 4.480 4.470 -0.000 0.000 0.225 129 S C 1.738 176.351 174.600 0.022 0.000 1.024 129 S CA 0.410 58.614 58.200 0.007 0.000 0.951 129 S CB 0.196 63.403 63.200 0.011 0.000 0.796 129 S HN 0.034 nan 8.310 nan 0.000 0.498 130 K N 1.482 121.893 120.400 0.019 0.000 2.099 130 K HA 0.264 4.584 4.320 -0.000 0.000 0.203 130 K C 1.084 177.774 176.600 0.150 0.000 1.047 130 K CA 0.299 56.649 56.287 0.105 0.000 0.963 130 K CB -0.687 31.902 32.500 0.149 0.000 0.759 130 K HN 0.371 nan 8.250 nan 0.000 0.451 131 S N 0.734 116.460 115.700 0.044 0.000 2.546 131 S HA -0.048 4.422 4.470 -0.000 0.000 0.290 131 S C 1.162 175.802 174.600 0.066 0.000 1.290 131 S CA -0.494 57.731 58.200 0.042 0.000 1.069 131 S CB 0.243 63.404 63.200 -0.065 0.000 0.846 131 S HN 0.302 nan 8.310 nan 0.000 0.495 132 C N 3.954 123.266 119.300 0.020 0.000 2.594 132 C HA 0.273 4.733 4.460 -0.000 0.000 0.265 132 C C 1.216 176.223 174.990 0.029 0.000 1.351 132 C CA -0.747 58.277 59.018 0.009 0.000 1.744 132 C CB -2.259 25.420 27.740 -0.102 0.000 1.890 132 C HN 0.929 nan 8.230 nan 0.000 0.551 133 C N -1.113 118.222 119.300 0.058 0.000 3.044 133 C HA 0.655 5.114 4.460 -0.000 0.000 0.315 133 C C -0.784 174.298 174.990 0.152 0.000 1.320 133 C CA -0.933 58.135 59.018 0.083 0.000 1.582 133 C CB 0.351 28.132 27.740 0.069 0.000 2.039 133 C HN 0.249 nan 8.230 nan 0.000 0.466 134 D N 0.680 121.157 120.400 0.127 0.000 2.378 134 D HA 0.505 5.144 4.640 -0.000 0.000 0.238 134 D C -0.428 176.005 176.300 0.221 0.000 1.180 134 D CA 0.913 54.998 54.000 0.142 0.000 0.895 134 D CB 0.399 41.219 40.800 0.033 0.000 1.192 134 D HN 0.848 nan 8.370 nan 0.000 0.438 135 Y N -2.217 118.066 120.300 -0.028 0.000 2.713 135 Y HA 0.606 5.155 4.550 -0.000 0.000 0.335 135 Y C -1.136 174.650 175.900 -0.190 0.000 1.222 135 Y CA -0.959 57.118 58.100 -0.037 0.000 1.061 135 Y CB 0.898 39.410 38.460 0.087 0.000 1.314 135 Y HN 0.275 nan 8.280 nan 0.000 0.453 136 S N 0.322 115.844 115.700 -0.297 0.000 2.705 136 S HA 0.829 5.298 4.470 -0.000 0.000 0.280 136 S C -2.261 172.232 174.600 -0.179 0.000 1.174 136 S CA -0.885 56.973 58.200 -0.570 0.000 0.823 136 S CB 1.305 64.113 63.200 -0.653 0.000 1.162 136 S HN 0.768 nan 8.310 nan 0.000 0.487 137 L N 2.884 124.015 121.223 -0.153 0.000 2.409 137 L HA 0.537 4.877 4.340 -0.000 0.000 0.272 137 L C -0.692 175.964 176.870 -0.357 0.000 0.980 137 L CA -0.833 53.943 54.840 -0.107 0.000 0.826 137 L CB 1.799 43.922 42.059 0.106 0.000 1.268 137 L HN 0.700 nan 8.230 nan 0.000 0.407 138 H N 2.252 121.081 119.070 -0.402 0.000 2.505 138 H HA 0.401 4.957 4.556 -0.000 0.000 0.351 138 H C -0.629 174.490 175.328 -0.348 0.000 1.151 138 H CA -0.432 55.315 56.048 -0.502 0.000 1.339 138 H CB 2.476 31.757 29.762 -0.802 0.000 1.483 138 H HN 0.168 nan 8.280 nan 0.000 0.558 139 V N 3.726 123.524 119.914 -0.192 0.000 2.326 139 V HA 0.054 4.174 4.120 -0.000 0.000 0.281 139 V C -0.327 175.773 176.094 0.010 0.000 1.015 139 V CA -0.888 61.349 62.300 -0.105 0.000 0.823 139 V CB 1.161 32.924 31.823 -0.100 0.000 1.009 139 V HN 0.666 nan 8.190 nan 0.000 0.436 140 D N 4.487 124.877 120.400 -0.017 0.000 2.341 140 D HA 0.471 5.111 4.640 -0.000 0.000 0.245 140 D C -0.177 176.127 176.300 0.005 0.000 1.106 140 D CA 0.093 54.091 54.000 -0.003 0.000 0.905 140 D CB 1.862 42.641 40.800 -0.036 0.000 1.202 140 D HN 0.342 nan 8.370 nan 0.000 0.426 141 I N 1.245 121.836 120.570 0.036 0.000 2.382 141 I HA 0.035 4.204 4.170 -0.000 0.000 0.285 141 I C 1.091 177.228 176.117 0.033 0.000 1.007 141 I CA -0.279 61.060 61.300 0.064 0.000 1.142 141 I CB 1.457 39.525 38.000 0.114 0.000 1.289 141 I HN 0.299 nan 8.210 nan 0.000 0.453 142 S N 3.659 119.351 115.700 -0.014 0.000 2.503 142 S HA 0.142 4.612 4.470 -0.000 0.000 0.217 142 S C 0.316 175.033 174.600 0.196 0.000 0.999 142 S CA -0.112 58.083 58.200 -0.010 0.000 0.914 142 S CB -0.193 62.997 63.200 -0.016 0.000 0.782 142 S HN 0.745 nan 8.310 nan 0.000 0.520 143 E N -0.706 119.597 120.200 0.173 0.000 2.372 143 E HA 0.397 4.747 4.350 -0.000 0.000 0.279 143 E C -1.718 175.010 176.600 0.213 0.000 0.946 143 E CA -1.054 55.473 56.400 0.211 0.000 0.769 143 E CB 0.839 30.663 29.700 0.205 0.000 1.230 143 E HN 0.388 nan 8.360 nan 0.000 0.442 144 W N 3.665 124.962 121.300 -0.005 0.000 2.551 144 W HA 0.439 5.099 4.660 -0.000 0.000 0.330 144 W C -1.061 175.442 176.519 -0.027 0.000 1.063 144 W CA -0.227 57.074 57.345 -0.073 0.000 1.222 144 W CB 1.467 30.931 29.460 0.007 0.000 1.349 144 W HN 0.993 nan 8.180 nan 0.000 0.536 145 H N 0.587 119.179 119.070 -0.797 0.000 2.894 145 H HA 0.217 4.773 4.556 -0.000 0.000 0.282 145 H C -0.313 174.491 175.328 -0.873 0.000 1.448 145 H CA -0.910 54.714 56.048 -0.708 0.000 1.158 145 H CB 0.631 30.224 29.762 -0.283 0.000 1.818 145 H HN 0.247 nan 8.280 nan 0.000 0.493 146 K N 0.089 120.320 120.400 -0.281 0.000 2.442 146 K HA 0.098 4.418 4.320 -0.000 0.000 0.198 146 K C 1.736 178.252 176.600 -0.140 0.000 1.042 146 K CA 1.231 57.366 56.287 -0.252 0.000 0.958 146 K CB -0.082 32.344 32.500 -0.123 0.000 0.766 146 K HN 0.682 nan 8.250 nan 0.000 0.474 147 G N 0.595 109.450 108.800 0.091 0.000 2.683 147 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.213 147 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.213 147 G C 1.271 176.124 174.900 -0.078 0.000 1.142 147 G CA -0.034 45.111 45.100 0.075 0.000 0.793 147 G HN 0.072 nan 8.290 nan 0.000 0.534 148 I N 0.771 121.118 120.570 -0.371 0.000 2.252 148 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 148 I C 2.621 178.642 176.117 -0.160 0.000 1.102 148 I CA 1.132 62.221 61.300 -0.352 0.000 1.385 148 I CB -0.999 36.699 38.000 -0.503 0.000 1.064 148 I HN 0.326 nan 8.210 nan 0.000 0.414 149 Q N 1.408 121.098 119.800 -0.182 0.000 2.077 149 Q HA -0.257 4.083 4.340 -0.000 0.000 0.206 149 Q C 2.016 177.992 176.000 -0.039 0.000 0.989 149 Q CA 2.255 58.036 55.803 -0.038 0.000 0.853 149 Q CB 0.033 28.766 28.738 -0.008 0.000 0.907 149 Q HN 0.549 nan 8.270 nan 0.000 0.418 150 E N 0.130 120.305 120.200 -0.041 0.000 2.118 150 E HA -0.202 4.147 4.350 -0.000 0.000 0.195 150 E C 1.988 178.582 176.600 -0.010 0.000 0.992 150 E CA 1.236 57.624 56.400 -0.019 0.000 0.804 150 E CB -0.034 29.658 29.700 -0.014 0.000 0.741 150 E HN 0.455 nan 8.360 nan 0.000 0.458 151 E N 0.489 120.681 120.200 -0.013 0.000 2.047 151 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 151 E C 2.143 178.760 176.600 0.027 0.000 0.987 151 E CA 1.026 57.432 56.400 0.010 0.000 0.799 151 E CB -0.092 29.615 29.700 0.012 0.000 0.752 151 E HN 0.318 nan 8.360 nan 0.000 0.449 152 M N 0.592 120.181 119.600 -0.018 0.000 2.159 152 M HA -0.169 4.311 4.480 -0.000 0.000 0.263 152 M C 1.979 178.282 176.300 0.005 0.000 1.063 152 M CA 1.444 56.699 55.300 -0.075 0.000 1.110 152 M CB -0.213 32.103 32.600 -0.474 0.000 1.374 152 M HN 0.032 nan 8.290 nan 0.000 0.411 153 E N 0.414 120.602 120.200 -0.021 0.000 2.150 153 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 153 E C 2.094 178.701 176.600 0.011 0.000 0.985 153 E CA 1.192 57.592 56.400 -0.001 0.000 0.814 153 E CB -0.131 29.565 29.700 -0.006 0.000 0.752 153 E HN 0.534 nan 8.360 nan 0.000 0.466 154 A N 0.779 123.607 122.820 0.014 0.000 1.970 154 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 154 A C 2.098 179.683 177.584 0.001 0.000 1.170 154 A CA 0.539 52.574 52.037 -0.003 0.000 0.645 154 A CB -0.280 18.731 19.000 0.019 0.000 0.816 154 A HN 0.099 nan 8.150 nan 0.000 0.447 155 L N -0.577 120.686 121.223 0.067 0.000 2.044 155 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 155 L C 2.498 179.366 176.870 -0.004 0.000 1.075 155 L CA 0.966 55.827 54.840 0.035 0.000 0.747 155 L CB -0.437 41.616 42.059 -0.010 0.000 0.903 155 L HN 0.233 nan 8.230 nan 0.000 0.435 156 V N 0.139 120.103 119.914 0.084 0.000 2.343 156 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 156 V C 2.481 178.568 176.094 -0.012 0.000 1.051 156 V CA 2.076 64.407 62.300 0.052 0.000 1.036 156 V CB -0.550 31.324 31.823 0.086 0.000 0.654 156 V HN 0.448 nan 8.190 nan 0.000 0.451 157 K N -0.483 119.897 120.400 -0.032 0.000 2.076 157 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 157 K C 1.571 178.098 176.600 -0.121 0.000 1.051 157 K CA 1.630 57.883 56.287 -0.057 0.000 0.949 157 K CB 0.018 32.489 32.500 -0.048 0.000 0.726 157 K HN 0.423 nan 8.250 nan 0.000 0.443 158 D N -1.214 119.042 120.400 -0.240 0.000 2.423 158 D HA 0.028 4.668 4.640 -0.000 0.000 0.208 158 D C 0.753 176.726 176.300 -0.544 0.000 1.068 158 D CA 0.429 54.171 54.000 -0.430 0.000 0.860 158 D CB 0.551 40.973 40.800 -0.630 0.000 0.992 158 D HN 0.305 nan 8.370 nan 0.000 0.504 159 H N -0.501 118.495 119.070 -0.124 0.000 2.784 159 H HA 0.290 4.846 4.556 -0.000 0.000 0.273 159 H C 1.132 176.466 175.328 0.010 0.000 1.112 159 H CA 0.516 56.468 56.048 -0.161 0.000 1.162 159 H CB 1.286 30.687 29.762 -0.601 0.000 1.586 159 H HN 0.101 nan 8.280 nan 0.000 0.548 160 G N 1.531 110.384 108.800 0.089 0.000 2.176 160 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.252 160 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.252 160 G C 0.011 174.965 174.900 0.089 0.000 1.024 160 G CA 0.431 45.605 45.100 0.122 0.000 0.755 160 G HN 0.207 nan 8.290 nan 0.000 0.507 161 V N 0.891 120.811 119.914 0.009 0.000 2.427 161 V HA 0.596 4.715 4.120 -0.000 0.000 0.286 161 V C 0.599 176.609 176.094 -0.140 0.000 1.034 161 V CA -0.044 62.197 62.300 -0.098 0.000 0.893 161 V CB 1.788 33.472 31.823 -0.231 0.000 0.982 161 V HN 0.593 nan 8.190 nan 0.000 0.452 162 N N 1.352 119.945 118.700 -0.178 0.000 2.305 162 N HA 0.130 4.869 4.740 -0.000 0.000 0.248 162 N C -0.470 175.020 175.510 -0.034 0.000 1.290 162 N CA -0.063 52.945 53.050 -0.071 0.000 0.873 162 N CB 0.923 39.402 38.487 -0.012 0.000 1.261 162 N HN 0.589 nan 8.380 nan 0.000 0.504 163 S N -0.899 114.625 115.700 -0.294 0.000 2.543 163 S HA 0.750 5.220 4.470 -0.000 0.000 0.273 163 S C -1.342 172.963 174.600 -0.491 0.000 1.152 163 S CA -0.818 57.298 58.200 -0.141 0.000 0.910 163 S CB 0.710 64.017 63.200 0.178 0.000 1.105 163 S HN 0.054 nan 8.310 nan 0.000 0.465 164 F N 0.895 120.852 119.950 0.011 0.000 2.599 164 F HA 0.733 5.260 4.527 -0.000 0.000 0.311 164 F C -0.583 175.178 175.800 -0.066 0.000 1.076 164 F CA -0.930 57.057 58.000 -0.022 0.000 0.937 164 F CB 1.883 40.870 39.000 -0.020 0.000 1.282 164 F HN 0.721 nan 8.300 nan 0.000 0.460 165 L N 3.145 124.421 121.223 0.089 0.000 2.342 165 L HA 0.938 5.278 4.340 -0.000 0.000 0.271 165 L C -1.112 175.711 176.870 -0.077 0.000 1.008 165 L CA -0.849 53.960 54.840 -0.052 0.000 0.818 165 L CB 1.842 43.814 42.059 -0.145 0.000 1.296 165 L HN 0.576 nan 8.230 nan 0.000 0.427 166 V N 0.252 120.084 119.914 -0.136 0.000 3.141 166 V HA 0.606 4.726 4.120 -0.000 0.000 0.312 166 V C -1.564 174.417 176.094 -0.189 0.000 1.157 166 V CA -0.783 61.464 62.300 -0.089 0.000 1.041 166 V CB 1.872 33.670 31.823 -0.043 0.000 1.071 166 V HN 0.672 nan 8.190 nan 0.000 0.441 167 Y N 0.889 121.247 120.300 0.097 0.000 2.446 167 Y HA 0.664 5.213 4.550 -0.000 0.000 0.345 167 Y C 0.854 176.854 175.900 0.167 0.000 0.984 167 Y CA -0.654 57.553 58.100 0.178 0.000 1.058 167 Y CB 2.467 41.072 38.460 0.241 0.000 1.220 167 Y HN 0.605 nan 8.280 nan 0.000 0.455 168 M N 1.720 121.509 119.600 0.316 0.000 2.333 168 M HA 0.367 4.847 4.480 -0.000 0.000 0.257 168 M C 0.296 176.722 176.300 0.211 0.000 1.078 168 M CA 0.201 55.633 55.300 0.221 0.000 1.005 168 M CB 0.656 33.349 32.600 0.154 0.000 1.444 168 M HN 0.673 nan 8.290 nan 0.000 0.496 169 A N -0.745 122.244 122.820 0.282 0.000 2.373 169 A HA 0.781 5.101 4.320 -0.000 0.000 0.291 169 A C -0.531 177.147 177.584 0.156 0.000 1.171 169 A CA -0.542 51.535 52.037 0.067 0.000 0.922 169 A CB 0.348 19.257 19.000 -0.151 0.000 1.400 169 A HN 0.379 nan 8.150 nan 0.000 0.474 170 F N -1.095 118.844 119.950 -0.018 0.000 2.803 170 F HA -0.143 4.384 4.527 -0.000 0.000 0.323 170 F C 0.591 176.350 175.800 -0.068 0.000 1.033 170 F CA 0.985 58.924 58.000 -0.102 0.000 1.066 170 F CB -1.502 37.350 39.000 -0.247 0.000 1.283 170 F HN 0.717 nan 8.300 nan 0.000 0.816 171 K N 1.384 121.809 120.400 0.042 0.000 2.494 171 K HA 0.003 4.323 4.320 -0.000 0.000 0.273 171 K C 0.830 177.449 176.600 0.032 0.000 0.970 171 K CA 0.485 56.799 56.287 0.045 0.000 0.963 171 K CB 0.300 32.810 32.500 0.017 0.000 0.913 171 K HN 0.381 nan 8.250 nan 0.000 0.502 172 D N 0.992 121.417 120.400 0.042 0.000 2.702 172 D HA -0.226 4.413 4.640 -0.000 0.000 0.233 172 D C 0.336 176.637 176.300 0.001 0.000 1.164 172 D CA 1.224 55.242 54.000 0.030 0.000 0.638 172 D CB -0.277 40.533 40.800 0.017 0.000 1.041 172 D HN 0.622 nan 8.370 nan 0.000 0.422 173 R N -1.233 119.267 120.500 -0.001 0.000 4.933 173 R HA 0.183 4.523 4.340 -0.000 0.000 0.075 173 R C 0.491 176.763 176.300 -0.046 0.000 0.685 173 R CA 0.334 56.355 56.100 -0.132 0.000 1.394 173 R CB -0.320 29.813 30.300 -0.279 0.000 1.458 173 R HN 0.026 nan 8.270 nan 0.000 0.400 174 F N 1.506 121.447 119.950 -0.015 0.000 2.789 174 F HA 0.489 5.015 4.527 -0.000 0.000 0.320 174 F C 0.400 176.261 175.800 0.101 0.000 1.079 174 F CA -0.293 57.671 58.000 -0.060 0.000 1.205 174 F CB -0.185 38.526 39.000 -0.482 0.000 1.046 174 F HN 0.158 nan 8.300 nan 0.000 0.586 175 Q N 1.754 121.737 119.800 0.305 0.000 2.337 175 Q HA 0.281 4.621 4.340 -0.000 0.000 0.270 175 Q C -1.123 175.006 176.000 0.215 0.000 1.002 175 Q CA -0.082 55.884 55.803 0.272 0.000 0.888 175 Q CB 0.762 29.616 28.738 0.193 0.000 1.222 175 Q HN 0.014 nan 8.270 nan 0.000 0.400 176 L N 2.874 124.214 121.223 0.195 0.000 2.344 176 L HA 0.395 4.735 4.340 -0.000 0.000 0.272 176 L C 0.586 177.523 176.870 0.111 0.000 1.035 176 L CA -0.152 54.775 54.840 0.145 0.000 0.807 176 L CB 1.583 43.700 42.059 0.097 0.000 1.237 176 L HN 0.851 nan 8.230 nan 0.000 0.442 177 T N -2.893 111.720 114.554 0.100 0.000 2.788 177 T HA 0.158 4.508 4.350 -0.000 0.000 0.280 177 T C 0.727 175.464 174.700 0.062 0.000 0.984 177 T CA -0.522 61.626 62.100 0.079 0.000 0.972 177 T CB 0.578 69.493 68.868 0.078 0.000 1.039 177 T HN 0.521 nan 8.240 nan 0.000 0.530 178 D N -0.361 120.074 120.400 0.057 0.000 2.117 178 D HA -0.095 4.545 4.640 -0.000 0.000 0.197 178 D C 2.199 178.542 176.300 0.072 0.000 0.987 178 D CA 1.202 55.237 54.000 0.059 0.000 0.829 178 D CB -0.746 40.087 40.800 0.056 0.000 0.961 178 D HN 0.716 nan 8.370 nan 0.000 0.460 179 C N 1.122 120.454 119.300 0.054 0.000 2.429 179 C HA -0.134 4.326 4.460 -0.000 0.000 0.277 179 C C 2.559 177.594 174.990 0.076 0.000 1.262 179 C CA 0.980 60.022 59.018 0.041 0.000 1.733 179 C CB -0.963 26.786 27.740 0.015 0.000 2.010 179 C HN 0.300 nan 8.230 nan 0.000 0.483 180 Q N 0.482 120.318 119.800 0.060 0.000 2.050 180 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 180 Q C 2.247 178.073 176.000 -0.290 0.000 0.980 180 Q CA 2.066 57.840 55.803 -0.048 0.000 0.840 180 Q CB -0.305 28.457 28.738 0.041 0.000 0.898 180 Q HN 0.732 nan 8.270 nan 0.000 0.424 181 I N 0.045 120.529 120.570 -0.144 0.000 2.163 181 I HA -0.321 3.848 4.170 -0.000 0.000 0.243 181 I C 2.397 178.453 176.117 -0.102 0.000 1.085 181 I CA 1.413 62.622 61.300 -0.152 0.000 1.347 181 I CB -0.477 37.494 38.000 -0.048 0.000 1.044 181 I HN 0.214 nan 8.210 nan 0.000 0.408 182 Y N 1.979 122.206 120.300 -0.121 0.000 2.139 182 Y HA -0.314 4.236 4.550 -0.000 0.000 0.282 182 Y C 2.414 178.252 175.900 -0.104 0.000 1.179 182 Y CA 1.923 59.975 58.100 -0.080 0.000 1.161 182 Y CB -0.318 38.124 38.460 -0.030 0.000 0.970 182 Y HN 0.238 nan 8.280 nan 0.000 0.511 183 E N -1.101 119.191 120.200 0.152 0.000 2.112 183 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 183 E C 2.232 178.694 176.600 -0.230 0.000 0.979 183 E CA 1.203 57.664 56.400 0.102 0.000 0.814 183 E CB -0.100 29.777 29.700 0.296 0.000 0.762 183 E HN 0.359 nan 8.360 nan 0.000 0.460 184 V N 1.315 120.785 119.914 -0.740 0.000 2.343 184 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 184 V C 2.260 178.139 176.094 -0.358 0.000 1.051 184 V CA 1.267 63.064 62.300 -0.839 0.000 1.036 184 V CB -0.428 30.859 31.823 -0.894 0.000 0.654 184 V HN 0.168 nan 8.190 nan 0.000 0.451 185 L N 0.421 121.483 121.223 -0.269 0.000 2.083 185 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 185 L C 2.607 179.392 176.870 -0.142 0.000 1.083 185 L CA 1.958 56.691 54.840 -0.179 0.000 0.752 185 L CB -0.858 41.093 42.059 -0.181 0.000 0.899 185 L HN 0.287 nan 8.230 nan 0.000 0.433 186 S N -1.428 114.180 115.700 -0.153 0.000 2.383 186 S HA -0.117 4.353 4.470 -0.000 0.000 0.227 186 S C 2.077 176.669 174.600 -0.013 0.000 1.026 186 S CA 1.074 59.224 58.200 -0.083 0.000 0.981 186 S CB -0.293 62.882 63.200 -0.042 0.000 0.818 186 S HN 0.207 nan 8.310 nan 0.000 0.472 187 V N 2.115 122.019 119.914 -0.016 0.000 2.270 187 V HA -0.147 3.973 4.120 -0.000 0.000 0.245 187 V C 2.112 178.184 176.094 -0.037 0.000 1.043 187 V CA 1.536 63.842 62.300 0.011 0.000 1.014 187 V CB -0.584 31.286 31.823 0.078 0.000 0.645 187 V HN 0.421 nan 8.190 nan 0.000 0.447 188 I N -0.342 120.179 120.570 -0.082 0.000 2.208 188 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 188 I C 2.759 178.908 176.117 0.054 0.000 1.097 188 I CA 1.800 63.072 61.300 -0.047 0.000 1.363 188 I CB -0.436 37.550 38.000 -0.023 0.000 1.051 188 I HN 0.246 nan 8.210 nan 0.000 0.413 189 R N 0.948 121.499 120.500 0.084 0.000 2.094 189 R HA -0.250 4.089 4.340 -0.000 0.000 0.239 189 R C 1.788 178.202 176.300 0.190 0.000 1.137 189 R CA 2.435 58.656 56.100 0.201 0.000 0.943 189 R CB -0.320 30.054 30.300 0.123 0.000 0.850 189 R HN 0.305 nan 8.270 nan 0.000 0.433 190 D N 0.368 120.834 120.400 0.110 0.000 2.178 190 D HA -0.118 4.522 4.640 -0.000 0.000 0.202 190 D C 1.792 178.167 176.300 0.124 0.000 0.974 190 D CA 1.457 55.531 54.000 0.123 0.000 0.841 190 D CB -0.108 40.742 40.800 0.083 0.000 0.953 190 D HN 0.580 nan 8.370 nan 0.000 0.478 191 I N -3.889 116.686 120.570 0.008 0.000 3.419 191 I HA 0.278 4.448 4.170 -0.000 0.000 0.286 191 I C 1.262 177.083 176.117 -0.495 0.000 1.268 191 I CA 0.614 61.867 61.300 -0.080 0.000 1.414 191 I CB 0.010 37.972 38.000 -0.062 0.000 1.074 191 I HN 0.002 nan 8.210 nan 0.000 0.457 192 G N 1.445 109.744 108.800 -0.834 0.000 2.131 192 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.223 192 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.223 192 G C 0.196 174.684 174.900 -0.686 0.000 0.990 192 G CA -0.057 43.894 45.100 -1.914 0.000 0.671 192 G HN 0.880 nan 8.290 nan 0.000 0.521 193 A N -0.249 122.497 122.820 -0.124 0.000 2.256 193 A HA 0.864 5.184 4.320 -0.000 0.000 0.318 193 A C 0.244 177.985 177.584 0.261 0.000 1.103 193 A CA -0.647 51.479 52.037 0.147 0.000 0.860 193 A CB 0.756 19.969 19.000 0.355 0.000 1.182 193 A HN 0.551 nan 8.150 nan 0.000 0.501 194 I N 0.625 121.331 120.570 0.227 0.000 2.385 194 I HA 0.440 4.609 4.170 -0.000 0.000 0.294 194 I C 0.670 176.884 176.117 0.163 0.000 0.988 194 I CA -0.459 60.941 61.300 0.165 0.000 1.265 194 I CB 0.906 38.974 38.000 0.114 0.000 1.388 194 I HN 0.638 nan 8.210 nan 0.000 0.480 195 A N 7.233 130.122 122.820 0.115 0.000 2.294 195 A HA 0.476 4.796 4.320 -0.000 0.000 0.316 195 A C 0.099 177.732 177.584 0.082 0.000 1.359 195 A CA -0.520 51.566 52.037 0.081 0.000 0.956 195 A CB 0.044 19.062 19.000 0.029 0.000 1.155 195 A HN 0.751 nan 8.150 nan 0.000 0.544 196 Q N 0.806 120.626 119.800 0.033 0.000 2.230 196 Q HA 0.606 4.946 4.340 -0.000 0.000 0.248 196 Q C -0.512 175.484 176.000 -0.007 0.000 0.915 196 Q CA -0.722 55.090 55.803 0.016 0.000 0.900 196 Q CB 2.153 30.790 28.738 -0.167 0.000 1.229 196 Q HN 0.626 nan 8.270 nan 0.000 0.439 197 V N -1.460 118.469 119.914 0.025 0.000 2.962 197 V HA 0.383 4.503 4.120 -0.000 0.000 0.313 197 V C -1.129 174.969 176.094 0.006 0.000 1.099 197 V CA -1.103 61.190 62.300 -0.011 0.000 0.971 197 V CB 1.773 33.617 31.823 0.034 0.000 1.028 197 V HN 0.879 nan 8.190 nan 0.000 0.430 198 H N 2.213 121.192 119.070 -0.151 0.000 2.661 198 H HA 0.752 5.308 4.556 -0.000 0.000 0.290 198 H C -0.062 175.321 175.328 0.090 0.000 1.082 198 H CA -0.214 55.827 56.048 -0.013 0.000 1.234 198 H CB 1.055 30.802 29.762 -0.025 0.000 1.387 198 H HN 1.116 nan 8.280 nan 0.000 0.476 199 A N 5.545 128.473 122.820 0.180 0.000 2.540 199 A HA 0.332 4.652 4.320 -0.000 0.000 0.340 199 A C -0.509 177.160 177.584 0.142 0.000 1.424 199 A CA -0.560 51.566 52.037 0.148 0.000 0.940 199 A CB 0.192 19.234 19.000 0.070 0.000 1.149 199 A HN 0.859 nan 8.150 nan 0.000 0.505 200 E N 0.988 121.318 120.200 0.217 0.000 2.367 200 E HA 0.191 4.541 4.350 -0.000 0.000 0.273 200 E C -0.975 175.683 176.600 0.096 0.000 0.903 200 E CA -1.083 55.393 56.400 0.127 0.000 0.764 200 E CB 1.633 31.417 29.700 0.140 0.000 1.252 200 E HN 0.532 nan 8.360 nan 0.000 0.446 201 N N 1.305 120.034 118.700 0.048 0.000 2.421 201 N HA 0.033 4.772 4.740 -0.000 0.000 0.260 201 N C 0.725 176.241 175.510 0.010 0.000 1.173 201 N CA 0.168 53.239 53.050 0.035 0.000 0.960 201 N CB 0.944 39.444 38.487 0.022 0.000 1.273 201 N HN 0.747 nan 8.380 nan 0.000 0.497 202 G N 2.825 111.633 108.800 0.014 0.000 2.432 202 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 202 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 202 G C 1.076 175.967 174.900 -0.014 0.000 1.135 202 G CA 0.365 45.450 45.100 -0.025 0.000 0.767 202 G HN 0.512 nan 8.290 nan 0.000 0.550 203 D N 0.803 121.208 120.400 0.007 0.000 2.084 203 D HA -0.082 4.558 4.640 -0.000 0.000 0.194 203 D C 2.571 178.870 176.300 -0.002 0.000 0.990 203 D CA 0.569 54.573 54.000 0.007 0.000 0.826 203 D CB -0.255 40.555 40.800 0.017 0.000 0.971 203 D HN 0.347 nan 8.370 nan 0.000 0.453 204 I N 0.648 121.216 120.570 -0.003 0.000 2.208 204 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 204 I C 2.376 178.482 176.117 -0.018 0.000 1.097 204 I CA 0.800 62.095 61.300 -0.009 0.000 1.363 204 I CB -0.144 37.850 38.000 -0.009 0.000 1.051 204 I HN -0.031 nan 8.210 nan 0.000 0.413 205 I N 0.525 121.077 120.570 -0.031 0.000 2.163 205 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 205 I C 2.774 178.873 176.117 -0.030 0.000 1.081 205 I CA 1.400 62.672 61.300 -0.046 0.000 1.353 205 I CB -0.503 37.447 38.000 -0.084 0.000 1.054 205 I HN 0.160 nan 8.210 nan 0.000 0.407 206 A N 0.287 123.088 122.820 -0.031 0.000 1.948 206 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 206 A C 2.219 179.798 177.584 -0.008 0.000 1.177 206 A CA 1.731 53.755 52.037 -0.022 0.000 0.636 206 A CB -0.450 18.538 19.000 -0.019 0.000 0.815 206 A HN 0.382 nan 8.150 nan 0.000 0.449 207 E N -0.126 120.071 120.200 -0.005 0.000 2.046 207 E HA -0.122 4.227 4.350 -0.000 0.000 0.190 207 E C 1.982 178.587 176.600 0.008 0.000 0.982 207 E CA 1.021 57.421 56.400 0.001 0.000 0.800 207 E CB -0.353 29.347 29.700 0.001 0.000 0.756 207 E HN 0.632 nan 8.360 nan 0.000 0.449 208 E N 1.084 121.288 120.200 0.006 0.000 2.106 208 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 208 E C 2.130 178.761 176.600 0.052 0.000 0.984 208 E CA 0.511 56.920 56.400 0.015 0.000 0.806 208 E CB -0.124 29.571 29.700 -0.008 0.000 0.750 208 E HN 0.361 nan 8.360 nan 0.000 0.458 209 Q N 0.553 120.394 119.800 0.069 0.000 2.012 209 Q HA -0.290 4.050 4.340 -0.000 0.000 0.211 209 Q C 2.297 178.357 176.000 0.101 0.000 1.009 209 Q CA 2.195 58.089 55.803 0.151 0.000 0.866 209 Q CB -0.246 28.537 28.738 0.075 0.000 0.945 209 Q HN 0.087 nan 8.270 nan 0.000 0.414 210 Q N 0.562 120.381 119.800 0.031 0.000 2.096 210 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 210 Q C 1.867 177.883 176.000 0.027 0.000 0.982 210 Q CA 1.914 57.722 55.803 0.008 0.000 0.850 210 Q CB -0.204 28.532 28.738 -0.004 0.000 0.901 210 Q HN 0.245 nan 8.270 nan 0.000 0.422 211 R N -0.611 119.911 120.500 0.036 0.000 2.096 211 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 211 R C 1.874 178.206 176.300 0.053 0.000 1.127 211 R CA 1.462 57.583 56.100 0.034 0.000 0.968 211 R CB -0.185 30.130 30.300 0.025 0.000 0.861 211 R HN 0.379 nan 8.270 nan 0.000 0.440 212 I N 0.415 121.039 120.570 0.090 0.000 3.030 212 I HA -0.147 4.023 4.170 -0.000 0.000 0.270 212 I C 1.930 178.157 176.117 0.184 0.000 1.211 212 I CA 0.279 61.655 61.300 0.127 0.000 1.479 212 I CB 0.057 38.136 38.000 0.130 0.000 1.105 212 I HN 0.179 nan 8.210 nan 0.000 0.447 213 L N 0.599 121.914 121.223 0.153 0.000 1.994 213 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 213 L C 1.661 178.559 176.870 0.047 0.000 1.071 213 L CA 1.395 56.273 54.840 0.062 0.000 0.745 213 L CB -0.579 41.438 42.059 -0.070 0.000 0.892 213 L HN 0.255 nan 8.230 nan 0.000 0.431 214 D N -0.259 120.161 120.400 0.033 0.000 2.392 214 D HA -0.102 4.538 4.640 -0.000 0.000 0.228 214 D C 1.832 178.152 176.300 0.033 0.000 1.003 214 D CA 0.565 54.579 54.000 0.024 0.000 0.917 214 D CB 0.182 40.991 40.800 0.015 0.000 0.890 214 D HN 0.136 nan 8.370 nan 0.000 0.532 215 L N -0.806 120.447 121.223 0.049 0.000 2.354 215 L HA 0.254 4.594 4.340 -0.000 0.000 0.212 215 L C 1.852 178.752 176.870 0.050 0.000 1.091 215 L CA 1.223 56.092 54.840 0.047 0.000 0.828 215 L CB -0.164 41.928 42.059 0.054 0.000 0.973 215 L HN 0.231 nan 8.230 nan 0.000 0.461 216 G N -1.176 107.662 108.800 0.062 0.000 2.380 216 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.197 216 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.197 216 G C 0.493 175.449 174.900 0.093 0.000 1.001 216 G CA -0.059 45.078 45.100 0.062 0.000 0.668 216 G HN 0.169 nan 8.290 nan 0.000 0.483 217 I N 3.478 124.120 120.570 0.120 0.000 2.574 217 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 217 I C 1.690 177.989 176.117 0.303 0.000 1.131 217 I CA 1.212 62.607 61.300 0.158 0.000 1.352 217 I CB 0.559 38.621 38.000 0.104 0.000 1.431 217 I HN 0.303 nan 8.210 nan 0.000 0.543 218 T N 0.765 115.475 114.554 0.259 0.000 3.040 218 T HA 0.196 4.545 4.350 -0.000 0.000 0.266 218 T C 0.885 175.827 174.700 0.403 0.000 1.005 218 T CA -0.132 62.157 62.100 0.315 0.000 0.906 218 T CB 0.345 69.286 68.868 0.123 0.000 1.082 218 T HN 0.544 nan 8.240 nan 0.000 0.531 219 G N 2.246 111.215 108.800 0.281 0.000 2.634 219 G HA2 0.440 4.399 3.960 -0.000 0.000 0.255 219 G HA3 0.440 4.399 3.960 -0.000 0.000 0.255 219 G C -1.614 173.349 174.900 0.105 0.000 1.205 219 G CA -1.359 43.883 45.100 0.236 0.000 0.884 219 G HN 0.023 nan 8.290 nan 0.000 0.549 220 P HA -0.096 nan 4.420 nan 0.000 0.221 220 P C 1.780 178.825 177.300 -0.425 0.000 1.145 220 P CA 1.167 64.147 63.100 -0.199 0.000 0.795 220 P CB 0.231 31.740 31.700 -0.319 0.000 0.775 221 E N 0.032 119.923 120.200 -0.514 0.000 2.150 221 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 221 E C 2.127 178.276 176.600 -0.753 0.000 0.985 221 E CA 1.813 57.698 56.400 -0.858 0.000 0.814 221 E CB -1.781 27.293 29.700 -1.044 0.000 0.752 221 E HN 0.196 nan 8.360 nan 0.000 0.466 222 G N 0.668 109.028 108.800 -0.733 0.000 2.475 222 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.220 222 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.220 222 G C 1.505 175.428 174.900 -1.628 0.000 1.125 222 G CA 1.267 45.655 45.100 -1.187 0.000 0.755 222 G HN 0.526 nan 8.290 nan 0.000 0.565 223 H N -0.257 117.945 119.070 -1.445 0.000 2.321 223 H HA 0.006 4.562 4.556 -0.000 0.000 0.300 223 H C 2.489 177.434 175.328 -0.639 0.000 1.087 223 H CA 1.856 57.407 56.048 -0.829 0.000 1.319 223 H CB -0.285 29.171 29.762 -0.510 0.000 1.379 223 H HN 0.099 nan 8.280 nan 0.000 0.501 224 V N 0.174 119.599 119.914 -0.815 0.000 2.719 224 V HA -0.071 4.049 4.120 -0.000 0.000 0.252 224 V C 2.176 178.044 176.094 -0.377 0.000 1.065 224 V CA 1.261 63.173 62.300 -0.646 0.000 1.086 224 V CB -0.451 30.962 31.823 -0.684 0.000 0.700 224 V HN 0.491 nan 8.190 nan 0.000 0.467 225 L N 0.807 121.805 121.223 -0.374 0.000 2.201 225 L HA -0.082 4.258 4.340 -0.000 0.000 0.212 225 L C 2.588 179.341 176.870 -0.194 0.000 1.105 225 L CA 1.761 56.481 54.840 -0.200 0.000 0.775 225 L CB -0.534 41.418 42.059 -0.179 0.000 0.913 225 L HN 0.607 nan 8.230 nan 0.000 0.440 226 S N -0.461 115.068 115.700 -0.286 0.000 2.528 226 S HA 0.011 4.481 4.470 -0.000 0.000 0.219 226 S C 1.173 175.671 174.600 -0.170 0.000 0.985 226 S CA -0.170 57.923 58.200 -0.177 0.000 0.914 226 S CB 0.069 63.204 63.200 -0.108 0.000 0.776 226 S HN 0.425 nan 8.310 nan 0.000 0.526 227 R N 1.677 122.039 120.500 -0.231 0.000 2.701 227 R HA 0.368 4.708 4.340 -0.000 0.000 0.281 227 R C -3.019 173.202 176.300 -0.131 0.000 1.367 227 R CA -1.620 54.366 56.100 -0.189 0.000 1.510 227 R CB 0.670 30.801 30.300 -0.282 0.000 1.306 227 R HN 0.337 nan 8.270 nan 0.000 0.682 228 P HA -0.073 nan 4.420 nan 0.000 0.270 228 P C 0.456 177.738 177.300 -0.029 0.000 1.223 228 P CA 0.017 63.089 63.100 -0.047 0.000 0.785 228 P CB 0.703 32.384 31.700 -0.032 0.000 0.923 229 E N 0.447 120.640 120.200 -0.012 0.000 2.267 229 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 229 E C 0.855 177.450 176.600 -0.008 0.000 0.998 229 E CA 1.279 57.676 56.400 -0.004 0.000 0.830 229 E CB -0.533 29.169 29.700 0.003 0.000 0.751 229 E HN 0.367 nan 8.360 nan 0.000 0.491 230 E N 0.748 120.940 120.200 -0.014 0.000 2.265 230 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 230 E C 2.155 178.751 176.600 -0.007 0.000 0.996 230 E CA 1.308 57.701 56.400 -0.012 0.000 0.832 230 E CB 0.074 29.765 29.700 -0.015 0.000 0.756 230 E HN 0.486 nan 8.360 nan 0.000 0.491 231 V N -1.770 118.138 119.914 -0.010 0.000 2.878 231 V HA -0.012 4.107 4.120 -0.000 0.000 0.250 231 V C 2.001 178.101 176.094 0.009 0.000 1.075 231 V CA 1.254 63.552 62.300 -0.004 0.000 1.096 231 V CB 0.095 31.909 31.823 -0.015 0.000 0.724 231 V HN 0.136 nan 8.190 nan 0.000 0.467 232 E N 1.229 121.434 120.200 0.007 0.000 2.005 232 E HA -0.137 4.212 4.350 -0.000 0.000 0.191 232 E C 2.286 178.896 176.600 0.016 0.000 0.987 232 E CA 1.469 57.879 56.400 0.016 0.000 0.814 232 E CB -0.389 29.318 29.700 0.011 0.000 0.772 232 E HN 0.602 nan 8.360 nan 0.000 0.453 233 A N 2.234 125.060 122.820 0.010 0.000 1.893 233 A HA -0.348 3.972 4.320 -0.000 0.000 0.222 233 A C 2.157 179.747 177.584 0.010 0.000 1.309 233 A CA 2.439 54.481 52.037 0.008 0.000 0.681 233 A CB -1.229 17.771 19.000 0.000 0.000 0.842 233 A HN 0.536 nan 8.150 nan 0.000 0.468 234 E N 0.086 120.291 120.200 0.009 0.000 2.086 234 E HA -0.240 4.110 4.350 -0.000 0.000 0.200 234 E C 2.209 178.820 176.600 0.019 0.000 1.012 234 E CA 1.972 58.378 56.400 0.011 0.000 0.812 234 E CB -0.503 29.204 29.700 0.010 0.000 0.743 234 E HN 0.550 nan 8.360 nan 0.000 0.453 235 A N 0.429 123.266 122.820 0.027 0.000 1.929 235 A HA -0.063 4.256 4.320 -0.000 0.000 0.216 235 A C 2.606 180.211 177.584 0.035 0.000 1.176 235 A CA 1.291 53.352 52.037 0.040 0.000 0.628 235 A CB -0.499 18.537 19.000 0.060 0.000 0.816 235 A HN 0.193 nan 8.150 nan 0.000 0.444 236 V N 1.144 121.074 119.914 0.027 0.000 2.343 236 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 236 V C 2.471 178.570 176.094 0.008 0.000 1.051 236 V CA 2.127 64.437 62.300 0.017 0.000 1.036 236 V CB -0.988 30.841 31.823 0.011 0.000 0.654 236 V HN 0.753 nan 8.190 nan 0.000 0.451 237 N N 0.348 119.053 118.700 0.008 0.000 2.069 237 N HA -0.266 4.474 4.740 -0.000 0.000 0.191 237 N C 2.169 177.683 175.510 0.006 0.000 1.031 237 N CA 1.994 55.046 53.050 0.003 0.000 0.852 237 N CB -0.071 38.418 38.487 0.004 0.000 1.018 237 N HN 0.416 nan 8.380 nan 0.000 0.423 238 R N 0.482 120.990 120.500 0.015 0.000 2.075 238 R HA -0.057 4.283 4.340 -0.000 0.000 0.232 238 R C 2.268 178.578 176.300 0.018 0.000 1.126 238 R CA 1.327 57.438 56.100 0.020 0.000 0.963 238 R CB -0.267 30.049 30.300 0.028 0.000 0.858 238 R HN 0.258 nan 8.270 nan 0.000 0.435 239 A N 1.162 123.993 122.820 0.018 0.000 1.865 239 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 239 A C 2.140 179.721 177.584 -0.006 0.000 1.191 239 A CA 1.684 53.727 52.037 0.010 0.000 0.623 239 A CB -0.615 18.396 19.000 0.018 0.000 0.826 239 A HN 0.368 nan 8.150 nan 0.000 0.444 240 I N -0.311 120.252 120.570 -0.011 0.000 2.264 240 I HA -0.255 3.914 4.170 -0.000 0.000 0.248 240 I C 2.589 178.690 176.117 -0.025 0.000 1.111 240 I CA 1.742 63.026 61.300 -0.027 0.000 1.382 240 I CB -0.629 37.352 38.000 -0.032 0.000 1.060 240 I HN 0.273 nan 8.210 nan 0.000 0.418 241 T N 1.176 115.723 114.554 -0.011 0.000 2.684 241 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 241 T C 1.902 176.601 174.700 -0.002 0.000 1.036 241 T CA 1.617 63.715 62.100 -0.003 0.000 1.148 241 T CB -0.314 68.561 68.868 0.011 0.000 0.863 241 T HN 0.275 nan 8.240 nan 0.000 0.436 242 I N 1.319 121.889 120.570 0.001 0.000 2.226 242 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 242 I C 2.943 179.009 176.117 -0.085 0.000 1.100 242 I CA 1.104 62.395 61.300 -0.015 0.000 1.374 242 I CB -0.542 37.456 38.000 -0.003 0.000 1.057 242 I HN 0.192 nan 8.210 nan 0.000 0.413 243 A N 1.012 123.790 122.820 -0.071 0.000 1.933 243 A HA -0.193 4.126 4.320 -0.000 0.000 0.218 243 A C 2.094 179.625 177.584 -0.088 0.000 1.175 243 A CA 1.725 53.711 52.037 -0.087 0.000 0.628 243 A CB -0.600 18.363 19.000 -0.063 0.000 0.814 243 A HN 0.417 nan 8.150 nan 0.000 0.444 244 N N -0.397 118.263 118.700 -0.067 0.000 2.142 244 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 244 N C 1.770 177.247 175.510 -0.056 0.000 1.023 244 N CA 1.267 54.281 53.050 -0.059 0.000 0.852 244 N CB -0.314 38.147 38.487 -0.044 0.000 0.998 244 N HN 0.379 nan 8.380 nan 0.000 0.424 245 Q N 0.005 119.774 119.800 -0.051 0.000 2.170 245 Q HA -0.035 4.305 4.340 -0.000 0.000 0.203 245 Q C 1.863 177.798 176.000 -0.109 0.000 0.976 245 Q CA 1.351 57.131 55.803 -0.038 0.000 0.858 245 Q CB -0.894 27.862 28.738 0.030 0.000 0.907 245 Q HN 0.616 nan 8.270 nan 0.000 0.433 246 T N -3.065 111.366 114.554 -0.206 0.000 3.081 246 T HA 0.046 4.396 4.350 -0.000 0.000 0.250 246 T C 0.680 175.294 174.700 -0.143 0.000 1.100 246 T CA 0.410 62.339 62.100 -0.285 0.000 1.038 246 T CB -0.161 68.432 68.868 -0.458 0.000 0.962 246 T HN 0.258 nan 8.240 nan 0.000 0.516 247 N N 0.036 118.677 118.700 -0.099 0.000 2.716 247 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 247 N C -0.607 174.867 175.510 -0.061 0.000 1.033 247 N CA 0.567 53.578 53.050 -0.066 0.000 0.727 247 N CB -2.056 36.410 38.487 -0.034 0.000 0.950 247 N HN 0.691 nan 8.380 nan 0.000 0.541 248 C N 1.458 120.709 119.300 -0.083 0.000 2.329 248 C HA 0.608 5.068 4.460 -0.000 0.000 0.329 248 C C -2.126 172.813 174.990 -0.086 0.000 1.275 248 C CA -1.820 57.158 59.018 -0.066 0.000 1.726 248 C CB 0.597 28.298 27.740 -0.064 0.000 2.291 248 C HN 0.435 nan 8.230 nan 0.000 0.514 249 P HA 0.224 nan 4.420 nan 0.000 0.271 249 P C -0.894 176.412 177.300 0.009 0.000 1.226 249 P CA -0.009 63.030 63.100 -0.101 0.000 0.765 249 P CB 0.882 32.443 31.700 -0.232 0.000 0.835 250 L N 5.462 126.711 121.223 0.042 0.000 2.322 250 L HA 0.666 5.006 4.340 -0.000 0.000 0.269 250 L C -1.315 175.681 176.870 0.209 0.000 1.012 250 L CA -1.044 53.848 54.840 0.087 0.000 0.815 250 L CB 1.566 43.634 42.059 0.015 0.000 1.295 250 L HN 0.294 nan 8.230 nan 0.000 0.438 251 Y N 4.248 124.581 120.300 0.056 0.000 2.362 251 Y HA 0.567 5.117 4.550 -0.000 0.000 0.326 251 Y C -1.483 174.442 175.900 0.041 0.000 1.083 251 Y CA -1.164 56.988 58.100 0.086 0.000 1.073 251 Y CB 1.228 39.739 38.460 0.085 0.000 1.211 251 Y HN 0.396 nan 8.280 nan 0.000 0.433 252 I N 6.356 126.938 120.570 0.020 0.000 2.337 252 I HA 0.189 4.359 4.170 -0.000 0.000 0.285 252 I C 0.455 176.620 176.117 0.081 0.000 1.041 252 I CA -0.453 60.880 61.300 0.055 0.000 1.199 252 I CB 0.690 38.682 38.000 -0.012 0.000 1.370 252 I HN 0.722 nan 8.210 nan 0.000 0.470 253 T N 2.970 117.638 114.554 0.189 0.000 2.898 253 T HA 0.237 4.587 4.350 -0.000 0.000 0.301 253 T C 0.510 175.293 174.700 0.138 0.000 1.049 253 T CA -0.584 61.653 62.100 0.228 0.000 1.095 253 T CB 0.481 69.425 68.868 0.127 0.000 0.976 253 T HN 0.595 nan 8.240 nan 0.000 0.539 254 K N 0.133 120.657 120.400 0.207 0.000 3.419 254 K HA -0.110 4.210 4.320 -0.000 0.000 0.272 254 K C -0.505 176.133 176.600 0.064 0.000 0.973 254 K CA 0.001 56.364 56.287 0.128 0.000 0.749 254 K CB -2.083 30.468 32.500 0.084 0.000 1.403 254 K HN 0.541 nan 8.250 nan 0.000 0.456 255 V N 2.693 122.647 119.914 0.066 0.000 2.446 255 V HA -0.014 4.106 4.120 -0.000 0.000 0.276 255 V C 1.377 177.516 176.094 0.075 0.000 1.030 255 V CA 0.315 62.646 62.300 0.052 0.000 1.033 255 V CB 0.921 32.768 31.823 0.040 0.000 0.993 255 V HN 0.410 nan 8.190 nan 0.000 0.477 256 M N 2.805 122.448 119.600 0.072 0.000 2.338 256 M HA 0.192 4.672 4.480 -0.000 0.000 0.276 256 M C 0.728 177.084 176.300 0.093 0.000 1.057 256 M CA 0.289 55.644 55.300 0.092 0.000 1.079 256 M CB 0.282 32.937 32.600 0.092 0.000 1.547 256 M HN 0.718 nan 8.290 nan 0.000 0.549 257 S N -0.479 115.267 115.700 0.076 0.000 2.689 257 S HA 0.537 5.006 4.470 -0.000 0.000 0.306 257 S C 0.689 175.331 174.600 0.070 0.000 1.104 257 S CA -0.773 57.462 58.200 0.058 0.000 0.973 257 S CB 2.547 65.764 63.200 0.027 0.000 1.121 257 S HN 0.086 nan 8.310 nan 0.000 0.523 258 K N 0.708 121.103 120.400 -0.008 0.000 2.097 258 K HA 0.004 4.324 4.320 -0.000 0.000 0.205 258 K C 2.177 178.723 176.600 -0.091 0.000 1.050 258 K CA 1.378 57.578 56.287 -0.145 0.000 0.938 258 K CB -0.365 31.837 32.500 -0.497 0.000 0.718 258 K HN 0.501 nan 8.250 nan 0.000 0.442 259 S N 0.690 116.351 115.700 -0.066 0.000 2.383 259 S HA -0.139 4.330 4.470 -0.000 0.000 0.227 259 S C 2.109 176.716 174.600 0.013 0.000 1.026 259 S CA 1.591 59.771 58.200 -0.033 0.000 0.981 259 S CB -0.187 62.993 63.200 -0.033 0.000 0.818 259 S HN 0.459 nan 8.310 nan 0.000 0.472 260 S N 2.509 118.227 115.700 0.029 0.000 2.338 260 S HA 0.026 4.496 4.470 -0.000 0.000 0.218 260 S C 2.144 176.777 174.600 0.054 0.000 1.032 260 S CA 0.917 59.138 58.200 0.035 0.000 0.999 260 S CB -0.876 62.345 63.200 0.034 0.000 0.905 260 S HN 0.485 nan 8.310 nan 0.000 0.439 261 A N 1.677 124.555 122.820 0.098 0.000 1.978 261 A HA -0.098 4.222 4.320 -0.000 0.000 0.220 261 A C 2.147 179.804 177.584 0.122 0.000 1.170 261 A CA 1.926 54.030 52.037 0.112 0.000 0.636 261 A CB -0.877 18.228 19.000 0.175 0.000 0.810 261 A HN 0.600 nan 8.150 nan 0.000 0.448 262 E N -0.158 120.144 120.200 0.169 0.000 2.106 262 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 262 E C 1.799 178.435 176.600 0.060 0.000 0.984 262 E CA 1.308 57.797 56.400 0.148 0.000 0.806 262 E CB -0.395 29.389 29.700 0.139 0.000 0.750 262 E HN 0.227 nan 8.360 nan 0.000 0.458 263 V N 0.876 120.812 119.914 0.036 0.000 2.287 263 V HA -0.278 3.841 4.120 -0.000 0.000 0.248 263 V C 2.343 178.433 176.094 -0.006 0.000 1.053 263 V CA 1.909 64.215 62.300 0.010 0.000 1.027 263 V CB -0.451 31.375 31.823 0.004 0.000 0.646 263 V HN 0.341 nan 8.190 nan 0.000 0.447 264 I N 0.278 120.842 120.570 -0.010 0.000 2.163 264 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 264 I C 2.706 178.793 176.117 -0.050 0.000 1.085 264 I CA 1.606 62.881 61.300 -0.042 0.000 1.347 264 I CB -0.762 37.209 38.000 -0.049 0.000 1.044 264 I HN 0.314 nan 8.210 nan 0.000 0.408 265 A N 0.348 123.153 122.820 -0.025 0.000 1.865 265 A HA -0.249 4.070 4.320 -0.000 0.000 0.217 265 A C 2.305 179.868 177.584 -0.034 0.000 1.191 265 A CA 1.546 53.564 52.037 -0.032 0.000 0.623 265 A CB -0.607 18.392 19.000 -0.001 0.000 0.826 265 A HN 0.406 nan 8.150 nan 0.000 0.444 266 Q N -0.600 119.190 119.800 -0.017 0.000 2.096 266 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 266 Q C 2.447 178.424 176.000 -0.038 0.000 0.982 266 Q CA 1.715 57.505 55.803 -0.021 0.000 0.850 266 Q CB -0.785 27.948 28.738 -0.008 0.000 0.901 266 Q HN 0.672 nan 8.270 nan 0.000 0.422 267 A N 1.018 123.811 122.820 -0.046 0.000 1.902 267 A HA -0.183 4.136 4.320 -0.000 0.000 0.217 267 A C 2.173 179.708 177.584 -0.083 0.000 1.181 267 A CA 1.285 53.286 52.037 -0.060 0.000 0.623 267 A CB -0.448 18.513 19.000 -0.065 0.000 0.818 267 A HN 0.237 nan 8.150 nan 0.000 0.443 268 R N 0.073 120.514 120.500 -0.099 0.000 2.105 268 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 268 R C 2.249 178.489 176.300 -0.100 0.000 1.135 268 R CA 1.846 57.870 56.100 -0.126 0.000 0.967 268 R CB -0.293 29.926 30.300 -0.136 0.000 0.861 268 R HN 0.803 nan 8.270 nan 0.000 0.442 269 K N 0.537 120.892 120.400 -0.074 0.000 2.217 269 K HA -0.085 4.234 4.320 -0.000 0.000 0.202 269 K C 1.449 178.015 176.600 -0.057 0.000 1.051 269 K CA 1.207 57.457 56.287 -0.061 0.000 0.952 269 K CB -0.009 32.464 32.500 -0.045 0.000 0.736 269 K HN 0.006 nan 8.250 nan 0.000 0.453 270 K N 0.177 120.543 120.400 -0.056 0.000 2.504 270 K HA 0.020 4.340 4.320 -0.000 0.000 0.195 270 K C 0.899 177.463 176.600 -0.061 0.000 1.036 270 K CA 0.705 56.962 56.287 -0.051 0.000 0.984 270 K CB 0.121 32.594 32.500 -0.044 0.000 0.788 270 K HN 0.586 nan 8.250 nan 0.000 0.488 271 G N 0.819 109.571 108.800 -0.079 0.000 2.201 271 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.212 271 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.212 271 G C 0.215 175.049 174.900 -0.109 0.000 0.994 271 G CA -0.098 44.948 45.100 -0.090 0.000 0.644 271 G HN 0.247 nan 8.290 nan 0.000 0.508 272 T N 1.886 116.375 114.554 -0.108 0.000 2.800 272 T HA 0.304 4.654 4.350 -0.000 0.000 0.283 272 T C 0.986 175.580 174.700 -0.176 0.000 0.999 272 T CA 0.519 62.546 62.100 -0.122 0.000 1.176 272 T CB 1.431 70.234 68.868 -0.109 0.000 0.973 272 T HN 0.642 nan 8.240 nan 0.000 0.519 273 V N 5.875 125.681 119.914 -0.180 0.000 2.324 273 V HA 0.238 4.358 4.120 -0.000 0.000 0.244 273 V C 0.411 176.348 176.094 -0.261 0.000 1.144 273 V CA -0.108 62.045 62.300 -0.245 0.000 1.158 273 V CB -0.256 31.457 31.823 -0.183 0.000 1.254 273 V HN 0.664 nan 8.190 nan 0.000 0.492 274 V N 6.096 125.765 119.914 -0.408 0.000 2.925 274 V HA 0.672 4.792 4.120 -0.000 0.000 0.311 274 V C -1.638 174.064 176.094 -0.654 0.000 1.104 274 V CA -0.627 61.467 62.300 -0.344 0.000 0.954 274 V CB 2.611 34.320 31.823 -0.190 0.000 1.022 274 V HN 0.632 nan 8.190 nan 0.000 0.427 275 Y N 3.659 123.874 120.300 -0.143 0.000 2.331 275 Y HA 0.742 5.292 4.550 -0.000 0.000 0.334 275 Y C 0.752 176.416 175.900 -0.392 0.000 0.960 275 Y CA -0.241 57.712 58.100 -0.244 0.000 1.130 275 Y CB 2.266 40.570 38.460 -0.260 0.000 1.164 275 Y HN 0.823 nan 8.280 nan 0.000 0.458 276 G N 1.826 110.514 108.800 -0.186 0.000 2.356 276 G HA2 0.377 4.337 3.960 -0.000 0.000 0.298 276 G HA3 0.377 4.337 3.960 -0.000 0.000 0.298 276 G C -0.785 173.994 174.900 -0.203 0.000 1.145 276 G CA -0.558 44.431 45.100 -0.185 0.000 0.850 276 G HN 0.630 nan 8.290 nan 0.000 0.487 277 E N 3.543 123.637 120.200 -0.178 0.000 2.751 277 E HA 0.233 4.582 4.350 -0.000 0.000 0.219 277 E C -2.296 174.342 176.600 0.064 0.000 1.060 277 E CA -1.998 54.375 56.400 -0.044 0.000 0.893 277 E CB 1.486 31.215 29.700 0.049 0.000 1.300 277 E HN 0.302 nan 8.360 nan 0.000 0.433 278 P HA 0.039 nan 4.420 nan 0.000 0.269 278 P C -0.001 177.367 177.300 0.113 0.000 1.217 278 P CA 0.279 63.431 63.100 0.086 0.000 0.783 278 P CB 0.746 32.490 31.700 0.074 0.000 0.898 279 I N -3.255 117.390 120.570 0.124 0.000 3.002 279 I HA 0.411 4.581 4.170 -0.000 0.000 0.310 279 I C 1.244 177.454 176.117 0.156 0.000 1.087 279 I CA -0.934 60.444 61.300 0.131 0.000 1.017 279 I CB 1.003 39.065 38.000 0.104 0.000 1.226 279 I HN 0.075 nan 8.210 nan 0.000 0.443 280 T N 1.668 116.318 114.554 0.160 0.000 2.714 280 T HA -0.273 4.077 4.350 -0.000 0.000 0.268 280 T C 1.851 176.787 174.700 0.393 0.000 1.036 280 T CA 2.322 64.531 62.100 0.183 0.000 1.148 280 T CB -0.497 68.436 68.868 0.108 0.000 0.856 280 T HN 0.772 nan 8.240 nan 0.000 0.462 281 A N 2.025 125.101 122.820 0.425 0.000 1.851 281 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 281 A C 2.623 180.378 177.584 0.285 0.000 1.195 281 A CA 2.529 54.784 52.037 0.363 0.000 0.622 281 A CB -1.035 18.051 19.000 0.144 0.000 0.831 281 A HN 0.653 nan 8.150 nan 0.000 0.444 282 S N -0.428 115.401 115.700 0.216 0.000 2.461 282 S HA 0.079 4.549 4.470 -0.000 0.000 0.228 282 S C 1.679 176.391 174.600 0.187 0.000 1.005 282 S CA 1.077 59.388 58.200 0.185 0.000 0.942 282 S CB -0.515 62.776 63.200 0.151 0.000 0.776 282 S HN 0.411 nan 8.310 nan 0.000 0.514 283 L N 0.661 122.001 121.223 0.195 0.000 2.395 283 L HA 0.202 4.542 4.340 -0.000 0.000 0.218 283 L C 2.400 179.393 176.870 0.204 0.000 1.130 283 L CA 1.005 55.950 54.840 0.174 0.000 0.826 283 L CB -0.364 41.783 42.059 0.146 0.000 0.941 283 L HN 0.582 nan 8.230 nan 0.000 0.451 284 G N -2.365 106.619 108.800 0.306 0.000 2.695 284 G HA2 0.137 4.096 3.960 -0.000 0.000 0.205 284 G HA3 0.137 4.096 3.960 -0.000 0.000 0.205 284 G C 0.390 175.539 174.900 0.415 0.000 1.068 284 G CA 0.515 45.846 45.100 0.385 0.000 0.842 284 G HN 0.172 nan 8.290 nan 0.000 0.628 285 T N -0.141 114.617 114.554 0.339 0.000 2.647 285 T HA 0.524 4.874 4.350 -0.000 0.000 0.295 285 T C -1.950 172.870 174.700 0.200 0.000 1.126 285 T CA 0.163 62.413 62.100 0.251 0.000 1.040 285 T CB 1.879 70.883 68.868 0.227 0.000 1.472 285 T HN 0.251 nan 8.240 nan 0.000 0.500 286 D N -1.491 119.015 120.400 0.177 0.000 2.732 286 D HA 0.547 5.186 4.640 -0.000 0.000 0.292 286 D C 0.743 177.051 176.300 0.014 0.000 1.135 286 D CA -0.337 53.721 54.000 0.097 0.000 1.071 286 D CB 0.537 41.357 40.800 0.033 0.000 1.457 286 D HN 0.715 nan 8.370 nan 0.000 0.547 287 G N -1.285 107.521 108.800 0.010 0.000 3.189 287 G HA2 0.065 4.025 3.960 -0.000 0.000 0.225 287 G HA3 0.065 4.025 3.960 -0.000 0.000 0.225 287 G C 1.067 175.994 174.900 0.045 0.000 1.159 287 G CA 0.392 45.465 45.100 -0.045 0.000 0.763 287 G HN 0.493 nan 8.290 nan 0.000 0.549 288 S N 0.523 116.171 115.700 -0.088 0.000 2.402 288 S HA -0.246 4.224 4.470 -0.000 0.000 0.233 288 S C 1.910 176.467 174.600 -0.071 0.000 1.030 288 S CA 1.222 59.383 58.200 -0.064 0.000 1.003 288 S CB -0.642 62.379 63.200 -0.299 0.000 0.813 288 S HN 0.494 nan 8.310 nan 0.000 0.477 289 H N 0.058 118.898 119.070 -0.383 0.000 2.521 289 H HA 0.014 4.570 4.556 -0.000 0.000 0.286 289 H C 1.273 176.250 175.328 -0.586 0.000 1.034 289 H CA 1.165 56.816 56.048 -0.662 0.000 1.278 289 H CB -0.551 28.281 29.762 -1.551 0.000 1.386 289 H HN 0.551 nan 8.280 nan 0.000 0.567 290 Y N -1.197 118.923 120.300 -0.300 0.000 2.651 290 Y HA -0.179 4.371 4.550 -0.000 0.000 0.296 290 Y C 1.599 177.184 175.900 -0.525 0.000 1.150 290 Y CA 0.373 58.191 58.100 -0.470 0.000 1.348 290 Y CB -0.220 37.803 38.460 -0.729 0.000 0.983 290 Y HN 0.315 nan 8.280 nan 0.000 0.555 291 W N -1.019 120.256 121.300 -0.040 0.000 2.991 291 W HA 0.287 4.947 4.660 -0.000 0.000 0.391 291 W C 0.803 177.300 176.519 -0.036 0.000 1.054 291 W CA -0.311 57.015 57.345 -0.031 0.000 1.856 291 W CB 0.026 29.462 29.460 -0.040 0.000 1.132 291 W HN -0.192 nan 8.180 nan 0.000 0.601 292 S N 1.603 117.361 115.700 0.096 0.000 2.563 292 S HA -0.002 4.468 4.470 -0.000 0.000 0.284 292 S C 1.407 176.053 174.600 0.078 0.000 1.331 292 S CA 0.335 58.581 58.200 0.075 0.000 1.047 292 S CB 1.078 64.293 63.200 0.025 0.000 0.859 292 S HN -0.051 nan 8.310 nan 0.000 0.514 293 K N 2.359 122.815 120.400 0.093 0.000 2.366 293 K HA 0.082 4.402 4.320 -0.000 0.000 0.198 293 K C 0.447 177.116 176.600 0.116 0.000 1.044 293 K CA 0.210 56.558 56.287 0.102 0.000 0.973 293 K CB -0.773 31.783 32.500 0.093 0.000 0.767 293 K HN 0.580 nan 8.250 nan 0.000 0.475 294 N N 0.779 119.543 118.700 0.107 0.000 2.405 294 N HA -0.074 4.666 4.740 -0.000 0.000 0.260 294 N C 0.543 176.115 175.510 0.105 0.000 1.152 294 N CA -0.165 52.962 53.050 0.129 0.000 0.948 294 N CB 0.180 38.749 38.487 0.136 0.000 1.111 294 N HN 0.134 nan 8.380 nan 0.000 0.485 295 W N 4.732 126.028 121.300 -0.007 0.000 2.363 295 W HA -0.092 4.568 4.660 -0.000 0.000 0.296 295 W C 1.672 178.141 176.519 -0.083 0.000 1.212 295 W CA 1.665 58.993 57.345 -0.028 0.000 1.260 295 W CB -0.029 29.426 29.460 -0.009 0.000 1.131 295 W HN 0.692 nan 8.180 nan 0.000 0.530 296 A N 0.362 123.274 122.820 0.154 0.000 1.930 296 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 296 A C 1.998 179.148 177.584 -0.723 0.000 1.175 296 A CA 1.899 53.836 52.037 -0.167 0.000 0.627 296 A CB -0.857 18.127 19.000 -0.026 0.000 0.815 296 A HN 0.392 nan 8.150 nan 0.000 0.443 297 K N -0.283 119.727 120.400 -0.650 0.000 2.001 297 K HA -0.036 4.284 4.320 -0.000 0.000 0.208 297 K C 2.213 178.675 176.600 -0.229 0.000 1.048 297 K CA 1.194 57.161 56.287 -0.533 0.000 0.932 297 K CB -0.381 32.060 32.500 -0.099 0.000 0.715 297 K HN 0.311 nan 8.250 nan 0.000 0.437 298 A N 1.224 123.888 122.820 -0.261 0.000 1.873 298 A HA -0.178 4.141 4.320 -0.000 0.000 0.218 298 A C 2.371 179.794 177.584 -0.269 0.000 1.193 298 A CA 2.227 54.110 52.037 -0.258 0.000 0.629 298 A CB -1.084 17.747 19.000 -0.282 0.000 0.826 298 A HN 0.523 nan 8.150 nan 0.000 0.447 299 A N -0.450 121.999 122.820 -0.618 0.000 2.019 299 A HA 0.193 4.513 4.320 -0.000 0.000 0.219 299 A C 2.400 179.787 177.584 -0.328 0.000 1.164 299 A CA 1.867 53.503 52.037 -0.668 0.000 0.644 299 A CB -0.870 17.290 19.000 -1.400 0.000 0.805 299 A HN 1.143 nan 8.150 nan 0.000 0.449 300 A N -1.440 121.208 122.820 -0.287 0.000 2.019 300 A HA 0.022 4.342 4.320 -0.000 0.000 0.219 300 A C 1.666 179.140 177.584 -0.184 0.000 1.164 300 A CA 1.254 53.168 52.037 -0.205 0.000 0.644 300 A CB -0.632 18.208 19.000 -0.267 0.000 0.805 300 A HN 0.478 nan 8.150 nan 0.000 0.449 301 F N -0.842 118.969 119.950 -0.232 0.000 2.789 301 F HA 0.154 4.681 4.527 -0.000 0.000 0.300 301 F C 0.803 176.633 175.800 0.050 0.000 1.132 301 F CA -0.029 57.845 58.000 -0.210 0.000 1.404 301 F CB 0.171 38.839 39.000 -0.554 0.000 1.114 301 F HN -0.154 nan 8.300 nan 0.000 0.584 302 V N 1.045 121.069 119.914 0.183 0.000 2.403 302 V HA 0.206 4.326 4.120 -0.000 0.000 0.265 302 V C 0.369 176.436 176.094 -0.045 0.000 1.034 302 V CA 0.498 62.807 62.300 0.015 0.000 1.036 302 V CB 0.297 31.931 31.823 -0.315 0.000 1.032 302 V HN 0.203 nan 8.190 nan 0.000 0.478 303 T N 3.834 118.459 114.554 0.118 0.000 2.821 303 T HA 0.536 4.885 4.350 -0.000 0.000 0.306 303 T C -0.914 174.004 174.700 0.363 0.000 1.313 303 T CA -0.387 61.832 62.100 0.198 0.000 1.012 303 T CB 1.980 70.948 68.868 0.166 0.000 1.298 303 T HN 0.477 nan 8.240 nan 0.000 0.502 304 S N 3.449 119.367 115.700 0.363 0.000 2.561 304 S HA 0.658 5.127 4.470 -0.000 0.000 0.303 304 S C -2.723 172.070 174.600 0.322 0.000 1.110 304 S CA -0.970 57.465 58.200 0.392 0.000 1.034 304 S CB 1.771 65.262 63.200 0.486 0.000 1.010 304 S HN 0.575 nan 8.310 nan 0.000 0.482 305 P HA 0.348 nan 4.420 nan 0.000 0.272 305 P C -2.600 174.795 177.300 0.159 0.000 1.230 305 P CA -1.347 61.815 63.100 0.103 0.000 0.788 305 P CB -0.295 31.410 31.700 0.009 0.000 0.949 306 P HA 0.163 nan 4.420 nan 0.000 0.279 306 P C -0.571 176.891 177.300 0.269 0.000 1.282 306 P CA -0.230 63.024 63.100 0.257 0.000 0.788 306 P CB 0.333 32.096 31.700 0.105 0.000 1.139 307 L N 0.195 121.666 121.223 0.413 0.000 2.349 307 L HA 0.197 4.537 4.340 -0.000 0.000 0.275 307 L C 1.037 178.083 176.870 0.293 0.000 1.115 307 L CA 0.219 55.239 54.840 0.300 0.000 0.820 307 L CB 0.166 42.377 42.059 0.253 0.000 1.135 307 L HN 0.412 nan 8.230 nan 0.000 0.445 308 S N 4.482 120.295 115.700 0.188 0.000 2.528 308 S HA 0.217 4.687 4.470 -0.000 0.000 0.277 308 S C -1.412 173.282 174.600 0.155 0.000 1.297 308 S CA -1.016 57.274 58.200 0.150 0.000 1.052 308 S CB 0.870 64.126 63.200 0.093 0.000 0.917 308 S HN 0.415 nan 8.310 nan 0.000 0.492 309 P HA -0.081 nan 4.420 nan 0.000 0.221 309 P C -0.001 177.320 177.300 0.036 0.000 1.145 309 P CA 0.670 63.865 63.100 0.158 0.000 0.795 309 P CB -0.048 31.772 31.700 0.199 0.000 0.775 310 D N -0.011 120.403 120.400 0.025 0.000 2.389 310 D HA -0.025 4.615 4.640 -0.000 0.000 0.263 310 D C -1.466 174.836 176.300 0.004 0.000 1.255 310 D CA -1.488 52.508 54.000 -0.008 0.000 0.914 310 D CB 0.663 41.452 40.800 -0.017 0.000 1.116 310 D HN 0.104 nan 8.370 nan 0.000 0.502 311 P HA -0.070 nan 4.420 nan 0.000 0.226 311 P C 1.149 178.464 177.300 0.025 0.000 1.153 311 P CA 0.862 63.961 63.100 -0.002 0.000 0.777 311 P CB 0.007 31.691 31.700 -0.027 0.000 0.794 312 T N -5.287 109.278 114.554 0.018 0.000 3.072 312 T HA -0.045 4.304 4.350 -0.000 0.000 0.266 312 T C 1.579 176.328 174.700 0.080 0.000 1.127 312 T CA 1.199 63.322 62.100 0.039 0.000 1.107 312 T CB -1.459 67.416 68.868 0.012 0.000 0.910 312 T HN 0.006 nan 8.240 nan 0.000 0.513 313 T N 2.938 117.537 114.554 0.076 0.000 2.708 313 T HA -0.005 4.345 4.350 -0.000 0.000 0.266 313 T C -0.528 174.274 174.700 0.170 0.000 1.037 313 T CA 1.333 63.504 62.100 0.118 0.000 1.146 313 T CB -1.292 67.634 68.868 0.096 0.000 0.865 313 T HN 0.389 nan 8.240 nan 0.000 0.435 314 P HA -0.107 nan 4.420 nan 0.000 0.216 314 P C 1.079 178.459 177.300 0.134 0.000 1.150 314 P CA 1.268 64.456 63.100 0.146 0.000 0.843 314 P CB -0.087 31.700 31.700 0.145 0.000 0.787 315 D N -1.539 118.940 120.400 0.131 0.000 2.097 315 D HA -0.200 4.440 4.640 -0.000 0.000 0.195 315 D C 1.734 178.112 176.300 0.131 0.000 0.989 315 D CA 0.986 55.054 54.000 0.113 0.000 0.827 315 D CB -0.881 39.980 40.800 0.102 0.000 0.966 315 D HN -0.020 nan 8.370 nan 0.000 0.456 316 F N 0.779 120.745 119.950 0.027 0.000 2.091 316 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 316 F C 2.092 177.906 175.800 0.023 0.000 1.103 316 F CA 1.411 59.423 58.000 0.020 0.000 1.228 316 F CB -0.276 38.735 39.000 0.018 0.000 0.984 316 F HN 0.026 nan 8.300 nan 0.000 0.477 317 L N -0.261 121.044 121.223 0.138 0.000 2.093 317 L HA -0.229 4.110 4.340 -0.000 0.000 0.208 317 L C 2.230 179.092 176.870 -0.013 0.000 1.085 317 L CA 1.252 56.125 54.840 0.055 0.000 0.755 317 L CB -0.838 41.295 42.059 0.124 0.000 0.904 317 L HN 0.212 nan 8.230 nan 0.000 0.435 318 N N -0.411 118.297 118.700 0.013 0.000 2.244 318 N HA -0.122 4.617 4.740 -0.000 0.000 0.183 318 N C 1.951 177.429 175.510 -0.053 0.000 1.016 318 N CA 1.312 54.361 53.050 -0.001 0.000 0.866 318 N CB 0.081 38.584 38.487 0.026 0.000 0.980 318 N HN 0.230 nan 8.380 nan 0.000 0.430 319 S N 1.074 116.713 115.700 -0.101 0.000 2.368 319 S HA -0.021 4.449 4.470 -0.000 0.000 0.224 319 S C 1.905 176.384 174.600 -0.201 0.000 1.029 319 S CA 0.652 58.760 58.200 -0.153 0.000 0.988 319 S CB -0.040 63.051 63.200 -0.183 0.000 0.838 319 S HN 0.129 nan 8.310 nan 0.000 0.462 320 L N 0.783 121.838 121.223 -0.281 0.000 2.291 320 L HA 0.110 4.450 4.340 -0.000 0.000 0.214 320 L C 1.961 178.756 176.870 -0.125 0.000 1.120 320 L CA 0.797 55.494 54.840 -0.239 0.000 0.799 320 L CB -0.735 41.143 42.059 -0.300 0.000 0.925 320 L HN 0.230 nan 8.230 nan 0.000 0.446 321 L N -1.129 120.040 121.223 -0.090 0.000 2.027 321 L HA -0.152 4.188 4.340 -0.000 0.000 0.206 321 L C 2.532 179.375 176.870 -0.045 0.000 1.074 321 L CA 1.640 56.451 54.840 -0.047 0.000 0.745 321 L CB -0.692 41.355 42.059 -0.020 0.000 0.898 321 L HN 0.188 nan 8.230 nan 0.000 0.433 322 S N -1.273 114.396 115.700 -0.052 0.000 2.382 322 S HA -0.194 4.276 4.470 -0.000 0.000 0.228 322 S C 1.930 176.502 174.600 -0.047 0.000 1.027 322 S CA 1.281 59.455 58.200 -0.043 0.000 0.991 322 S CB -0.777 62.394 63.200 -0.048 0.000 0.823 322 S HN 0.774 nan 8.310 nan 0.000 0.469 323 C N 0.695 119.955 119.300 -0.065 0.000 2.697 323 C HA 0.661 5.121 4.460 -0.000 0.000 0.267 323 C C 1.824 176.783 174.990 -0.051 0.000 1.278 323 C CA -0.228 58.754 59.018 -0.059 0.000 1.708 323 C CB -0.925 26.770 27.740 -0.076 0.000 1.860 323 C HN 0.628 nan 8.230 nan 0.000 0.589 324 G N 0.777 109.549 108.800 -0.046 0.000 2.176 324 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.232 324 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.232 324 G C 0.368 175.240 174.900 -0.046 0.000 0.986 324 G CA 0.491 45.572 45.100 -0.032 0.000 0.643 324 G HN 0.469 nan 8.290 nan 0.000 0.522 325 D N 0.107 120.466 120.400 -0.068 0.000 2.277 325 D HA 0.150 4.790 4.640 -0.000 0.000 0.208 325 D C 1.260 177.517 176.300 -0.072 0.000 0.962 325 D CA 0.843 54.796 54.000 -0.079 0.000 0.865 325 D CB 0.270 41.014 40.800 -0.093 0.000 0.939 325 D HN 0.509 nan 8.370 nan 0.000 0.510 326 L N 0.300 121.489 121.223 -0.056 0.000 2.362 326 L HA 0.333 4.673 4.340 -0.000 0.000 0.275 326 L C 0.370 177.232 176.870 -0.013 0.000 0.998 326 L CA -0.506 54.312 54.840 -0.038 0.000 0.820 326 L CB 2.237 44.277 42.059 -0.031 0.000 1.270 326 L HN -0.396 nan 8.230 nan 0.000 0.415 327 Q N 1.193 121.003 119.800 0.015 0.000 2.245 327 Q HA 0.231 4.571 4.340 -0.000 0.000 0.236 327 Q C -0.204 175.807 176.000 0.018 0.000 0.842 327 Q CA 0.049 55.877 55.803 0.043 0.000 0.945 327 Q CB 1.476 30.303 28.738 0.150 0.000 1.122 327 Q HN 0.548 nan 8.270 nan 0.000 0.506 328 V N -2.184 117.740 119.914 0.018 0.000 3.007 328 V HA 0.952 5.072 4.120 -0.000 0.000 0.311 328 V C -0.911 175.216 176.094 0.056 0.000 1.120 328 V CA -0.631 61.693 62.300 0.040 0.000 0.980 328 V CB 2.196 34.081 31.823 0.104 0.000 1.033 328 V HN 0.131 nan 8.190 nan 0.000 0.429 329 T N 0.553 115.150 114.554 0.070 0.000 2.886 329 T HA 0.930 5.280 4.350 -0.000 0.000 0.292 329 T C 0.008 174.787 174.700 0.131 0.000 1.012 329 T CA -0.014 62.138 62.100 0.086 0.000 0.982 329 T CB 1.297 70.189 68.868 0.040 0.000 1.018 329 T HN 1.701 nan 8.240 nan 0.000 0.451 330 G N -0.011 108.890 108.800 0.168 0.000 2.949 330 G HA2 0.580 4.539 3.960 -0.000 0.000 0.285 330 G HA3 0.580 4.539 3.960 -0.000 0.000 0.285 330 G C 0.326 175.312 174.900 0.143 0.000 1.395 330 G CA -0.280 44.936 45.100 0.193 0.000 0.901 330 G HN 1.055 nan 8.290 nan 0.000 0.519 331 S N -1.896 113.872 115.700 0.113 0.000 2.526 331 S HA 0.403 4.873 4.470 -0.000 0.000 0.220 331 S C 1.617 176.201 174.600 -0.028 0.000 1.017 331 S CA 1.448 59.700 58.200 0.087 0.000 0.930 331 S CB 0.199 63.490 63.200 0.152 0.000 0.856 331 S HN 2.415 nan 8.310 nan 0.000 0.497 332 A N 1.358 124.008 122.820 -0.284 0.000 2.550 332 A HA -0.278 4.042 4.320 -0.000 0.000 0.298 332 A C 0.222 177.705 177.584 -0.169 0.000 1.485 332 A CA 1.297 52.977 52.037 -0.594 0.000 0.780 332 A CB -2.879 15.708 19.000 -0.688 0.000 1.045 332 A HN 0.960 nan 8.150 nan 0.000 0.423 333 H N -1.111 117.889 119.070 -0.117 0.000 3.017 333 H HA 0.393 4.949 4.556 -0.000 0.000 0.276 333 H C 0.169 175.501 175.328 0.006 0.000 1.062 333 H CA 1.073 57.124 56.048 0.006 0.000 1.486 333 H CB 0.375 30.227 29.762 0.150 0.000 1.507 333 H HN 0.751 nan 8.280 nan 0.000 0.508 334 C N 6.359 125.597 119.300 -0.104 0.000 3.354 334 C HA 0.225 4.685 4.460 -0.000 0.000 0.314 334 C C -0.301 174.598 174.990 -0.152 0.000 1.019 334 C CA -0.218 58.781 59.018 -0.030 0.000 1.293 334 C CB -1.330 26.462 27.740 0.087 0.000 1.747 334 C HN 0.989 nan 8.230 nan 0.000 0.580 335 T N 0.790 115.160 114.554 -0.307 0.000 2.882 335 T HA 0.770 5.120 4.350 -0.000 0.000 0.287 335 T C -0.768 173.607 174.700 -0.541 0.000 0.992 335 T CA -0.265 61.653 62.100 -0.302 0.000 1.076 335 T CB 1.183 69.916 68.868 -0.226 0.000 0.961 335 T HN 0.382 nan 8.240 nan 0.000 0.490 336 F N 2.438 122.376 119.950 -0.019 0.000 2.518 336 F HA 0.401 4.928 4.527 -0.000 0.000 0.323 336 F C 0.598 176.414 175.800 0.027 0.000 1.129 336 F CA -1.216 56.790 58.000 0.010 0.000 0.920 336 F CB 1.597 40.608 39.000 0.017 0.000 1.160 336 F HN 0.749 nan 8.300 nan 0.000 0.440 337 N N 0.170 118.974 118.700 0.175 0.000 2.326 337 N HA 0.048 4.787 4.740 -0.000 0.000 0.239 337 N C 0.769 176.395 175.510 0.194 0.000 1.301 337 N CA 0.013 53.158 53.050 0.158 0.000 0.909 337 N CB 0.143 38.700 38.487 0.116 0.000 1.156 337 N HN 0.579 nan 8.380 nan 0.000 0.462 338 T N -0.105 114.570 114.554 0.201 0.000 2.720 338 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 338 T C 1.791 176.627 174.700 0.227 0.000 1.037 338 T CA 1.905 64.144 62.100 0.232 0.000 1.144 338 T CB -0.740 68.289 68.868 0.267 0.000 0.864 338 T HN 0.701 nan 8.240 nan 0.000 0.444 339 A N 1.353 124.273 122.820 0.167 0.000 1.908 339 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 339 A C 2.284 179.944 177.584 0.127 0.000 1.181 339 A CA 1.769 53.879 52.037 0.122 0.000 0.627 339 A CB -0.675 18.379 19.000 0.090 0.000 0.818 339 A HN 0.570 nan 8.150 nan 0.000 0.445 340 Q N -0.604 119.291 119.800 0.158 0.000 1.967 340 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 340 Q C 2.025 178.109 176.000 0.141 0.000 0.985 340 Q CA 1.396 57.300 55.803 0.170 0.000 0.839 340 Q CB -0.249 28.672 28.738 0.306 0.000 0.906 340 Q HN 0.385 nan 8.270 nan 0.000 0.423 341 K N 0.450 120.960 120.400 0.182 0.000 2.189 341 K HA -0.209 4.111 4.320 -0.000 0.000 0.207 341 K C 1.887 178.690 176.600 0.339 0.000 1.046 341 K CA 1.350 57.743 56.287 0.175 0.000 0.928 341 K CB -0.454 32.138 32.500 0.153 0.000 0.720 341 K HN 0.265 nan 8.250 nan 0.000 0.458 342 A N 0.863 123.873 122.820 0.317 0.000 2.067 342 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 342 A C 2.324 179.944 177.584 0.060 0.000 1.158 342 A CA 1.113 53.253 52.037 0.171 0.000 0.661 342 A CB -0.451 18.558 19.000 0.015 0.000 0.801 342 A HN 0.070 nan 8.150 nan 0.000 0.452 343 V N -0.332 119.621 119.914 0.065 0.000 2.511 343 V HA -0.275 3.844 4.120 -0.000 0.000 0.257 343 V C 2.183 178.290 176.094 0.021 0.000 1.088 343 V CA 1.935 64.246 62.300 0.019 0.000 1.098 343 V CB -1.004 30.820 31.823 0.001 0.000 0.674 343 V HN 0.655 nan 8.190 nan 0.000 0.470 344 G N -0.224 108.633 108.800 0.096 0.000 3.605 344 G HA2 0.094 4.054 3.960 -0.000 0.000 0.277 344 G HA3 0.094 4.054 3.960 -0.000 0.000 0.277 344 G C 1.233 176.247 174.900 0.191 0.000 1.093 344 G CA 0.254 45.426 45.100 0.119 0.000 0.821 344 G HN 0.608 nan 8.290 nan 0.000 0.532 345 K N 0.273 120.684 120.400 0.018 0.000 2.127 345 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 345 K C 0.498 177.048 176.600 -0.084 0.000 1.047 345 K CA 1.609 57.739 56.287 -0.263 0.000 0.927 345 K CB -0.022 32.174 32.500 -0.507 0.000 0.716 345 K HN 0.119 nan 8.250 nan 0.000 0.450 346 D N 0.127 120.505 120.400 -0.038 0.000 2.395 346 D HA 0.077 4.717 4.640 -0.000 0.000 0.213 346 D C -0.461 175.837 176.300 -0.002 0.000 1.110 346 D CA 0.065 54.053 54.000 -0.020 0.000 0.835 346 D CB 0.278 41.048 40.800 -0.050 0.000 0.965 346 D HN 0.171 nan 8.370 nan 0.000 0.505 347 N N 0.569 119.277 118.700 0.013 0.000 3.193 347 N HA -0.059 4.681 4.740 -0.000 0.000 0.234 347 N C 0.458 175.905 175.510 -0.105 0.000 1.267 347 N CA -0.431 52.550 53.050 -0.115 0.000 0.875 347 N CB 0.028 38.417 38.487 -0.164 0.000 1.592 347 N HN -0.152 nan 8.380 nan 0.000 0.648 348 F N 1.535 121.524 119.950 0.064 0.000 2.192 348 F HA -0.112 4.414 4.527 -0.000 0.000 0.301 348 F C 2.238 178.054 175.800 0.027 0.000 1.079 348 F CA 1.565 59.591 58.000 0.043 0.000 1.303 348 F CB -1.234 37.776 39.000 0.017 0.000 1.024 348 F HN 0.432 nan 8.300 nan 0.000 0.494 349 T N -1.251 113.087 114.554 -0.359 0.000 3.025 349 T HA -0.046 4.304 4.350 -0.000 0.000 0.270 349 T C 1.498 176.163 174.700 -0.058 0.000 1.126 349 T CA 1.305 63.330 62.100 -0.125 0.000 1.105 349 T CB -0.697 68.013 68.868 -0.263 0.000 0.884 349 T HN 0.539 nan 8.240 nan 0.000 0.522 350 L N -0.033 121.151 121.223 -0.066 0.000 2.616 350 L HA 0.438 4.778 4.340 -0.000 0.000 0.229 350 L C 0.694 177.548 176.870 -0.028 0.000 1.110 350 L CA -0.241 54.573 54.840 -0.044 0.000 0.884 350 L CB -0.039 41.992 42.059 -0.047 0.000 1.115 350 L HN 0.282 nan 8.230 nan 0.000 0.481 351 I N 3.582 124.156 120.570 0.005 0.000 2.662 351 I HA 0.023 4.192 4.170 -0.000 0.000 0.285 351 I C -1.690 174.342 176.117 -0.142 0.000 1.161 351 I CA -1.473 59.812 61.300 -0.025 0.000 1.415 351 I CB 0.081 38.064 38.000 -0.028 0.000 1.385 351 I HN -0.135 nan 8.210 nan 0.000 0.552 352 P HA 0.027 nan 4.420 nan 0.000 0.266 352 P C -0.659 176.426 177.300 -0.358 0.000 1.195 352 P CA 0.089 62.875 63.100 -0.524 0.000 0.768 352 P CB 0.563 31.507 31.700 -1.260 0.000 0.838 353 E N 0.793 120.883 120.200 -0.184 0.000 2.301 353 E HA 0.599 4.949 4.350 -0.000 0.000 0.275 353 E C 0.457 177.151 176.600 0.156 0.000 1.030 353 E CA -0.017 56.386 56.400 0.005 0.000 0.852 353 E CB 0.712 30.501 29.700 0.148 0.000 1.060 353 E HN 0.750 nan 8.360 nan 0.000 0.401 354 G N 0.892 109.784 108.800 0.153 0.000 2.321 354 G HA2 0.274 4.234 3.960 -0.000 0.000 0.339 354 G HA3 0.274 4.234 3.960 -0.000 0.000 0.339 354 G C -0.883 174.055 174.900 0.063 0.000 1.518 354 G CA -0.723 44.483 45.100 0.178 0.000 0.994 354 G HN 0.490 nan 8.290 nan 0.000 0.668 355 T N 0.517 115.041 114.554 -0.050 0.000 2.821 355 T HA 0.611 4.960 4.350 -0.000 0.000 0.306 355 T C -0.080 174.458 174.700 -0.270 0.000 1.313 355 T CA -0.389 61.621 62.100 -0.151 0.000 1.012 355 T CB 1.390 70.173 68.868 -0.143 0.000 1.298 355 T HN 1.079 nan 8.240 nan 0.000 0.502 356 N N 0.089 118.645 118.700 -0.239 0.000 2.364 356 N HA 0.578 5.317 4.740 -0.000 0.000 0.264 356 N C 0.711 176.299 175.510 0.131 0.000 1.263 356 N CA 0.165 53.058 53.050 -0.261 0.000 0.959 356 N CB 1.102 39.612 38.487 0.038 0.000 1.204 356 N HN 0.937 nan 8.380 nan 0.000 0.550 357 G N -2.238 106.816 108.800 0.424 0.000 3.990 357 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.213 357 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.213 357 G C 0.782 175.841 174.900 0.265 0.000 0.849 357 G CA 0.407 45.711 45.100 0.339 0.000 0.857 357 G HN 0.649 nan 8.290 nan 0.000 0.484 358 T N 0.190 114.952 114.554 0.346 0.000 2.951 358 T HA 0.044 4.393 4.350 -0.000 0.000 0.268 358 T C 1.804 176.551 174.700 0.078 0.000 1.073 358 T CA 2.048 64.241 62.100 0.155 0.000 1.134 358 T CB -0.008 68.920 68.868 0.099 0.000 0.884 358 T HN 0.412 nan 8.240 nan 0.000 0.479 359 E N -0.288 119.949 120.200 0.061 0.000 2.158 359 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 359 E C 1.558 178.182 176.600 0.040 0.000 0.982 359 E CA 0.788 57.208 56.400 0.033 0.000 0.823 359 E CB 0.206 29.920 29.700 0.023 0.000 0.766 359 E HN 0.454 nan 8.360 nan 0.000 0.468 360 E N -0.245 119.958 120.200 0.005 0.000 2.472 360 E HA 0.035 4.385 4.350 -0.000 0.000 0.196 360 E C 1.477 178.040 176.600 -0.062 0.000 1.033 360 E CA -0.137 56.213 56.400 -0.084 0.000 0.886 360 E CB 0.172 29.673 29.700 -0.331 0.000 0.944 360 E HN 0.087 nan 8.360 nan 0.000 0.492 361 R N 0.710 121.213 120.500 0.005 0.000 2.115 361 R HA -0.172 4.167 4.340 -0.000 0.000 0.239 361 R C 1.741 178.108 176.300 0.110 0.000 1.133 361 R CA 1.964 58.088 56.100 0.040 0.000 0.935 361 R CB -0.108 30.232 30.300 0.066 0.000 0.853 361 R HN 0.198 nan 8.270 nan 0.000 0.433 362 M N -0.323 119.384 119.600 0.179 0.000 2.447 362 M HA -0.004 4.475 4.480 -0.000 0.000 0.264 362 M C 2.085 178.705 176.300 0.532 0.000 1.095 362 M CA 0.747 56.236 55.300 0.314 0.000 1.125 362 M CB 0.494 33.235 32.600 0.236 0.000 1.389 362 M HN 0.158 nan 8.290 nan 0.000 0.459 363 S N 0.130 116.102 115.700 0.453 0.000 2.355 363 S HA -0.088 4.382 4.470 -0.000 0.000 0.222 363 S C 1.902 176.692 174.600 0.315 0.000 1.031 363 S CA 1.139 59.589 58.200 0.416 0.000 0.993 363 S CB -0.217 63.099 63.200 0.194 0.000 0.859 363 S HN 0.257 nan 8.310 nan 0.000 0.453 364 V N 2.068 122.082 119.914 0.166 0.000 2.427 364 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 364 V C 1.989 178.187 176.094 0.173 0.000 1.051 364 V CA 1.386 63.747 62.300 0.101 0.000 1.048 364 V CB -0.730 31.064 31.823 -0.049 0.000 0.666 364 V HN 0.422 nan 8.190 nan 0.000 0.456 365 I N -1.066 119.646 120.570 0.237 0.000 2.162 365 I HA -0.239 3.930 4.170 -0.000 0.000 0.238 365 I C 2.431 178.726 176.117 0.296 0.000 1.076 365 I CA 1.861 63.316 61.300 0.260 0.000 1.353 365 I CB -0.517 37.659 38.000 0.294 0.000 1.063 365 I HN 0.448 nan 8.210 nan 0.000 0.408 366 W N 2.788 124.216 121.300 0.213 0.000 2.290 366 W HA -0.346 4.314 4.660 -0.000 0.000 0.323 366 W C 2.243 178.791 176.519 0.047 0.000 1.260 366 W CA 2.479 59.817 57.345 -0.012 0.000 1.266 366 W CB -0.501 28.939 29.460 -0.034 0.000 1.149 366 W HN 0.343 nan 8.180 nan 0.000 0.482 367 D N -0.030 120.539 120.400 0.282 0.000 2.144 367 D HA -0.170 4.470 4.640 -0.000 0.000 0.200 367 D C 1.711 178.039 176.300 0.046 0.000 0.978 367 D CA 1.164 55.252 54.000 0.146 0.000 0.833 367 D CB 0.020 40.934 40.800 0.190 0.000 0.961 367 D HN 0.114 nan 8.370 nan 0.000 0.470 368 K N -0.314 120.126 120.400 0.066 0.000 2.361 368 K HA 0.173 4.493 4.320 -0.000 0.000 0.194 368 K C 1.229 177.835 176.600 0.010 0.000 1.032 368 K CA 0.312 56.629 56.287 0.050 0.000 1.048 368 K CB 1.204 33.756 32.500 0.086 0.000 0.842 368 K HN 0.114 nan 8.250 nan 0.000 0.526 369 A N -0.013 122.794 122.820 -0.022 0.000 2.009 369 A HA 0.107 4.427 4.320 -0.000 0.000 0.197 369 A C 1.976 179.463 177.584 -0.162 0.000 1.471 369 A CA 0.099 52.103 52.037 -0.055 0.000 0.973 369 A CB 0.245 19.249 19.000 0.006 0.000 1.020 369 A HN -0.025 nan 8.150 nan 0.000 0.476 370 V N -0.415 119.296 119.914 -0.338 0.000 2.575 370 V HA -0.055 4.065 4.120 -0.000 0.000 0.242 370 V C 2.276 178.050 176.094 -0.532 0.000 1.045 370 V CA 1.572 63.516 62.300 -0.594 0.000 1.065 370 V CB -0.003 31.026 31.823 -1.323 0.000 0.717 370 V HN 0.243 nan 8.190 nan 0.000 0.467 371 V N 1.307 120.926 119.914 -0.491 0.000 3.041 371 V HA -0.122 3.998 4.120 -0.000 0.000 0.260 371 V C 2.409 178.420 176.094 -0.139 0.000 1.105 371 V CA 2.049 64.188 62.300 -0.268 0.000 1.125 371 V CB -0.717 31.019 31.823 -0.145 0.000 0.730 371 V HN 0.792 nan 8.190 nan 0.000 0.479 372 T N -2.664 111.813 114.554 -0.128 0.000 3.129 372 T HA 0.273 4.623 4.350 -0.000 0.000 0.251 372 T C 1.583 176.238 174.700 -0.074 0.000 1.117 372 T CA 0.656 62.713 62.100 -0.072 0.000 1.034 372 T CB 0.424 69.264 68.868 -0.046 0.000 0.968 372 T HN 0.781 nan 8.240 nan 0.000 0.526 373 G N 1.671 110.406 108.800 -0.109 0.000 2.143 373 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.248 373 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.248 373 G C 0.737 175.591 174.900 -0.077 0.000 0.991 373 G CA 0.574 45.620 45.100 -0.090 0.000 0.689 373 G HN 0.554 nan 8.290 nan 0.000 0.522 374 K N -0.776 119.575 120.400 -0.083 0.000 2.098 374 K HA 0.299 4.618 4.320 -0.000 0.000 0.203 374 K C 1.584 178.145 176.600 -0.063 0.000 1.051 374 K CA 1.468 57.716 56.287 -0.064 0.000 0.957 374 K CB 0.006 32.473 32.500 -0.055 0.000 0.738 374 K HN 0.761 nan 8.250 nan 0.000 0.447 375 M N -0.293 119.259 119.600 -0.081 0.000 2.704 375 M HA 0.368 4.847 4.480 -0.000 0.000 0.284 375 M C -1.701 174.540 176.300 -0.098 0.000 1.275 375 M CA -1.141 54.122 55.300 -0.062 0.000 0.811 375 M CB 2.054 34.640 32.600 -0.024 0.000 1.741 375 M HN -0.146 nan 8.290 nan 0.000 0.458 376 D N -0.828 119.539 120.400 -0.055 0.000 2.592 376 D HA 0.264 4.903 4.640 -0.000 0.000 0.259 376 D C 0.587 176.884 176.300 -0.006 0.000 1.144 376 D CA -0.373 53.588 54.000 -0.065 0.000 1.080 376 D CB 0.567 41.355 40.800 -0.021 0.000 1.225 376 D HN 0.847 nan 8.370 nan 0.000 0.619 377 E N 0.031 120.253 120.200 0.037 0.000 2.160 377 E HA -0.306 4.044 4.350 -0.000 0.000 0.195 377 E C 0.770 177.511 176.600 0.235 0.000 0.991 377 E CA 1.357 57.876 56.400 0.198 0.000 0.810 377 E CB -0.555 29.282 29.700 0.229 0.000 0.742 377 E HN 0.444 nan 8.360 nan 0.000 0.466 378 N N 0.913 119.692 118.700 0.132 0.000 2.173 378 N HA -0.173 4.567 4.740 -0.000 0.000 0.184 378 N C 1.812 177.370 175.510 0.081 0.000 1.025 378 N CA 1.287 54.397 53.050 0.101 0.000 0.852 378 N CB -0.286 38.242 38.487 0.068 0.000 0.998 378 N HN 0.109 nan 8.380 nan 0.000 0.427 379 Q N 0.438 120.278 119.800 0.067 0.000 2.096 379 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 379 Q C 1.703 177.733 176.000 0.049 0.000 0.982 379 Q CA 1.295 57.121 55.803 0.037 0.000 0.850 379 Q CB -0.484 28.269 28.738 0.025 0.000 0.901 379 Q HN 0.450 nan 8.270 nan 0.000 0.422 380 F N -0.446 119.488 119.950 -0.027 0.000 2.120 380 F HA -0.240 4.287 4.527 -0.000 0.000 0.300 380 F C 1.702 177.481 175.800 -0.034 0.000 1.095 380 F CA 1.654 59.645 58.000 -0.015 0.000 1.249 380 F CB -0.404 38.627 39.000 0.052 0.000 0.995 380 F HN 0.000 nan 8.300 nan 0.000 0.480 381 V N 0.758 120.648 119.914 -0.040 0.000 2.287 381 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 381 V C 2.820 178.802 176.094 -0.187 0.000 1.053 381 V CA 1.852 64.063 62.300 -0.148 0.000 1.027 381 V CB -1.758 30.061 31.823 -0.007 0.000 0.646 381 V HN 0.522 nan 8.190 nan 0.000 0.447 382 A N 0.684 123.436 122.820 -0.114 0.000 1.884 382 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 382 A C 2.339 179.838 177.584 -0.141 0.000 1.197 382 A CA 2.899 54.868 52.037 -0.114 0.000 0.637 382 A CB -0.911 18.046 19.000 -0.072 0.000 0.827 382 A HN 0.842 nan 8.150 nan 0.000 0.450 383 V N -2.489 117.328 119.914 -0.162 0.000 3.406 383 V HA -0.005 4.115 4.120 -0.000 0.000 0.263 383 V C 1.989 177.970 176.094 -0.189 0.000 1.172 383 V CA 2.015 64.234 62.300 -0.136 0.000 1.140 383 V CB -1.101 30.669 31.823 -0.087 0.000 0.784 383 V HN 0.705 nan 8.190 nan 0.000 0.467 384 T N -1.833 112.519 114.554 -0.338 0.000 3.040 384 T HA 0.130 4.479 4.350 -0.000 0.000 0.252 384 T C 1.640 176.217 174.700 -0.205 0.000 1.064 384 T CA 1.207 63.096 62.100 -0.353 0.000 1.110 384 T CB 0.170 68.626 68.868 -0.687 0.000 0.921 384 T HN 0.774 nan 8.240 nan 0.000 0.480 385 S N 0.353 115.945 115.700 -0.179 0.000 3.624 385 S HA 0.083 4.553 4.470 -0.000 0.000 0.244 385 S C 2.034 176.593 174.600 -0.069 0.000 1.115 385 S CA 0.702 58.847 58.200 -0.092 0.000 0.820 385 S CB -0.285 62.869 63.200 -0.077 0.000 0.964 385 S HN 0.398 nan 8.310 nan 0.000 0.508 386 T N 2.065 116.567 114.554 -0.087 0.000 2.867 386 T HA -0.023 4.327 4.350 -0.000 0.000 0.268 386 T C 1.555 176.122 174.700 -0.222 0.000 1.057 386 T CA 1.841 63.891 62.100 -0.083 0.000 1.136 386 T CB -0.858 67.990 68.868 -0.033 0.000 0.874 386 T HN 0.336 nan 8.240 nan 0.000 0.466 387 N N 1.973 120.533 118.700 -0.233 0.000 2.104 387 N HA 0.011 4.751 4.740 -0.000 0.000 0.190 387 N C 2.230 177.584 175.510 -0.260 0.000 1.024 387 N CA 1.590 54.452 53.050 -0.313 0.000 0.853 387 N CB -0.985 37.404 38.487 -0.162 0.000 1.008 387 N HN 0.617 nan 8.380 nan 0.000 0.424 388 A N 0.857 123.620 122.820 -0.094 0.000 1.883 388 A HA -0.012 4.307 4.320 -0.000 0.000 0.217 388 A C 2.318 179.939 177.584 0.063 0.000 1.186 388 A CA 2.080 54.150 52.037 0.055 0.000 0.624 388 A CB -1.021 18.052 19.000 0.122 0.000 0.822 388 A HN 0.324 nan 8.150 nan 0.000 0.444 389 A N -0.849 121.973 122.820 0.003 0.000 2.019 389 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 389 A C 2.100 179.680 177.584 -0.006 0.000 1.164 389 A CA 1.954 54.018 52.037 0.044 0.000 0.644 389 A CB -0.316 18.750 19.000 0.111 0.000 0.805 389 A HN 0.563 nan 8.150 nan 0.000 0.449 390 K N -0.759 119.507 120.400 -0.223 0.000 2.099 390 K HA 0.002 4.322 4.320 -0.000 0.000 0.203 390 K C 1.979 178.404 176.600 -0.292 0.000 1.047 390 K CA 1.129 57.173 56.287 -0.404 0.000 0.963 390 K CB -0.163 31.708 32.500 -1.049 0.000 0.759 390 K HN 0.403 nan 8.250 nan 0.000 0.451 391 V N -0.644 119.039 119.914 -0.384 0.000 2.548 391 V HA -0.075 4.045 4.120 -0.000 0.000 0.249 391 V C 1.142 176.961 176.094 -0.459 0.000 1.055 391 V CA 1.427 63.456 62.300 -0.452 0.000 1.065 391 V CB -0.378 30.935 31.823 -0.850 0.000 0.681 391 V HN 0.093 nan 8.190 nan 0.000 0.462 392 F N 1.302 121.210 119.950 -0.070 0.000 2.660 392 F HA 0.476 5.003 4.527 -0.000 0.000 0.302 392 F C 1.080 176.849 175.800 -0.052 0.000 1.103 392 F CA -0.382 57.580 58.000 -0.063 0.000 1.340 392 F CB -1.002 37.943 39.000 -0.090 0.000 1.048 392 F HN 0.309 nan 8.300 nan 0.000 0.551 393 N N 0.660 119.418 118.700 0.096 0.000 2.783 393 N HA -0.199 4.541 4.740 -0.000 0.000 0.247 393 N C 0.190 175.737 175.510 0.061 0.000 1.089 393 N CA 0.411 53.511 53.050 0.083 0.000 0.690 393 N CB -1.432 37.102 38.487 0.078 0.000 0.991 393 N HN 0.382 nan 8.380 nan 0.000 0.552 394 L N -1.108 120.157 121.223 0.070 0.000 2.858 394 L HA 0.265 4.605 4.340 -0.000 0.000 0.251 394 L C 0.275 177.182 176.870 0.062 0.000 1.149 394 L CA -0.261 54.601 54.840 0.036 0.000 0.955 394 L CB 0.155 42.225 42.059 0.018 0.000 1.289 394 L HN 0.269 nan 8.230 nan 0.000 0.542 395 Y N 2.304 122.578 120.300 -0.043 0.000 2.308 395 Y HA 0.332 4.882 4.550 -0.000 0.000 0.329 395 Y C -1.414 174.470 175.900 -0.027 0.000 1.111 395 Y CA -2.021 56.050 58.100 -0.049 0.000 1.179 395 Y CB 1.122 39.534 38.460 -0.079 0.000 1.201 395 Y HN -0.077 nan 8.280 nan 0.000 0.483 396 P HA 0.137 nan 4.420 nan 0.000 0.257 396 P C 1.006 178.091 177.300 -0.359 0.000 1.325 396 P CA 0.267 62.816 63.100 -0.919 0.000 0.850 396 P CB 0.167 31.335 31.700 -0.886 0.000 1.324 397 R N 0.857 121.239 120.500 -0.196 0.000 2.096 397 R HA -0.076 4.264 4.340 -0.000 0.000 0.240 397 R C 0.326 176.572 176.300 -0.091 0.000 1.139 397 R CA 1.273 57.303 56.100 -0.116 0.000 0.952 397 R CB 0.144 30.397 30.300 -0.080 0.000 0.854 397 R HN 0.053 nan 8.270 nan 0.000 0.436 398 K N -1.391 118.971 120.400 -0.063 0.000 2.259 398 K HA 0.300 4.620 4.320 -0.000 0.000 0.249 398 K C 0.085 176.697 176.600 0.021 0.000 0.942 398 K CA 0.029 56.300 56.287 -0.027 0.000 0.816 398 K CB 1.909 34.400 32.500 -0.016 0.000 1.155 398 K HN 0.310 nan 8.250 nan 0.000 0.428 399 G N 1.347 110.160 108.800 0.021 0.000 2.141 399 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.231 399 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.231 399 G C 0.019 174.971 174.900 0.088 0.000 0.984 399 G CA 0.275 45.411 45.100 0.061 0.000 0.660 399 G HN 0.521 nan 8.290 nan 0.000 0.525 400 R N -0.226 120.287 120.500 0.022 0.000 2.535 400 R HA 0.466 4.806 4.340 -0.000 0.000 0.274 400 R C -0.463 175.830 176.300 -0.010 0.000 1.090 400 R CA -1.100 55.011 56.100 0.020 0.000 0.930 400 R CB 0.599 30.879 30.300 -0.034 0.000 1.223 400 R HN 0.032 nan 8.270 nan 0.000 0.441 401 I N 3.924 124.504 120.570 0.018 0.000 2.278 401 I HA 0.321 4.491 4.170 -0.000 0.000 0.300 401 I C 0.165 176.316 176.117 0.058 0.000 1.174 401 I CA 0.037 61.346 61.300 0.014 0.000 1.347 401 I CB -0.379 37.613 38.000 -0.013 0.000 1.473 401 I HN 0.574 nan 8.210 nan 0.000 0.595 402 A N 5.535 128.365 122.820 0.017 0.000 2.454 402 A HA 0.679 4.999 4.320 -0.000 0.000 0.302 402 A C -0.410 177.173 177.584 -0.002 0.000 1.079 402 A CA -0.599 51.452 52.037 0.023 0.000 0.731 402 A CB 1.502 20.488 19.000 -0.024 0.000 1.299 402 A HN 0.179 nan 8.150 nan 0.000 0.413 403 V N 1.448 121.369 119.914 0.011 0.000 2.617 403 V HA 0.361 4.480 4.120 -0.000 0.000 0.304 403 V C 1.645 177.721 176.094 -0.030 0.000 1.040 403 V CA 2.367 64.665 62.300 -0.003 0.000 1.149 403 V CB 0.484 32.313 31.823 0.011 0.000 0.914 403 V HN 2.212 nan 8.190 nan 0.000 0.487 404 G N 3.888 112.664 108.800 -0.040 0.000 2.199 404 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.254 404 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.254 404 G C 0.425 175.287 174.900 -0.063 0.000 0.982 404 G CA 0.241 45.312 45.100 -0.050 0.000 0.632 404 G HN 0.766 nan 8.290 nan 0.000 0.529 405 S N 1.097 116.756 115.700 -0.069 0.000 2.632 405 S HA 0.491 4.961 4.470 -0.000 0.000 0.267 405 S C 0.199 174.758 174.600 -0.068 0.000 1.276 405 S CA -0.530 57.621 58.200 -0.082 0.000 0.998 405 S CB 0.922 64.068 63.200 -0.091 0.000 0.953 405 S HN 0.347 nan 8.310 nan 0.000 0.547 406 D N 1.182 121.543 120.400 -0.066 0.000 2.378 406 D HA 0.310 4.950 4.640 -0.000 0.000 0.238 406 D C 0.016 176.287 176.300 -0.049 0.000 1.180 406 D CA 0.082 54.050 54.000 -0.054 0.000 0.895 406 D CB 0.466 41.236 40.800 -0.049 0.000 1.192 406 D HN 0.541 nan 8.370 nan 0.000 0.438 407 A N 1.824 124.617 122.820 -0.045 0.000 3.245 407 A HA 0.164 4.484 4.320 -0.000 0.000 0.282 407 A C -0.628 176.940 177.584 -0.027 0.000 1.417 407 A CA -0.568 51.443 52.037 -0.042 0.000 1.149 407 A CB -0.126 18.841 19.000 -0.056 0.000 1.155 407 A HN 0.265 nan 8.150 nan 0.000 0.602 408 D N 1.657 122.044 120.400 -0.021 0.000 2.443 408 D HA 0.491 5.131 4.640 -0.000 0.000 0.221 408 D C -0.628 175.668 176.300 -0.007 0.000 1.097 408 D CA 0.286 54.281 54.000 -0.009 0.000 0.865 408 D CB 1.438 42.234 40.800 -0.006 0.000 1.034 408 D HN 0.330 nan 8.370 nan 0.000 0.511 409 L N 0.995 122.218 121.223 -0.001 0.000 2.401 409 L HA 0.551 4.891 4.340 -0.000 0.000 0.266 409 L C -0.374 176.510 176.870 0.023 0.000 0.991 409 L CA -1.137 53.705 54.840 0.004 0.000 0.818 409 L CB 2.473 44.528 42.059 -0.007 0.000 1.321 409 L HN -0.057 nan 8.230 nan 0.000 0.413 410 V N 2.926 122.866 119.914 0.044 0.000 2.555 410 V HA 0.465 4.585 4.120 -0.000 0.000 0.302 410 V C -0.038 176.110 176.094 0.090 0.000 1.038 410 V CA -0.475 61.876 62.300 0.085 0.000 0.887 410 V CB 2.178 34.094 31.823 0.156 0.000 0.991 410 V HN 0.505 nan 8.190 nan 0.000 0.434 411 I N 4.370 124.983 120.570 0.071 0.000 2.304 411 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 411 I C -0.336 175.829 176.117 0.080 0.000 1.018 411 I CA -0.031 61.301 61.300 0.053 0.000 1.260 411 I CB 0.671 38.672 38.000 0.002 0.000 1.390 411 I HN 0.643 nan 8.210 nan 0.000 0.475 412 W N 7.132 128.348 121.300 -0.139 0.000 2.512 412 W HA 0.285 4.945 4.660 -0.000 0.000 0.335 412 W C -0.957 175.413 176.519 -0.249 0.000 1.088 412 W CA -0.331 56.875 57.345 -0.231 0.000 1.236 412 W CB 1.763 31.024 29.460 -0.332 0.000 1.307 412 W HN 0.399 nan 8.180 nan 0.000 0.567 413 D N 5.973 125.863 120.400 -0.849 0.000 2.453 413 D HA 0.265 4.905 4.640 -0.000 0.000 0.238 413 D C -1.938 173.911 176.300 -0.752 0.000 1.088 413 D CA -2.253 51.399 54.000 -0.581 0.000 0.854 413 D CB 2.294 42.826 40.800 -0.447 0.000 1.076 413 D HN -0.009 nan 8.370 nan 0.000 0.533 414 P HA 0.055 nan 4.420 nan 0.000 0.225 414 P C 0.341 177.709 177.300 0.114 0.000 1.156 414 P CA 0.720 63.786 63.100 -0.057 0.000 0.787 414 P CB 0.596 32.475 31.700 0.299 0.000 0.802 415 D N -1.657 118.740 120.400 -0.005 0.000 2.380 415 D HA 0.047 4.686 4.640 -0.000 0.000 0.212 415 D C 0.315 176.603 176.300 -0.019 0.000 1.021 415 D CA 0.298 54.319 54.000 0.036 0.000 0.884 415 D CB -0.443 40.374 40.800 0.028 0.000 1.001 415 D HN -0.024 nan 8.370 nan 0.000 0.506 416 S N 1.443 117.081 115.700 -0.102 0.000 3.225 416 S HA 0.037 4.507 4.470 -0.000 0.000 0.378 416 S C 0.327 174.874 174.600 -0.087 0.000 1.190 416 S CA 0.023 58.148 58.200 -0.124 0.000 1.104 416 S CB 0.348 63.413 63.200 -0.226 0.000 0.795 416 S HN 0.005 nan 8.310 nan 0.000 0.517 417 V N 5.687 125.574 119.914 -0.045 0.000 2.472 417 V HA 0.483 4.603 4.120 -0.000 0.000 0.290 417 V C 0.198 176.274 176.094 -0.030 0.000 1.037 417 V CA -0.473 61.816 62.300 -0.018 0.000 0.908 417 V CB 1.369 33.195 31.823 0.005 0.000 0.985 417 V HN 0.705 nan 8.190 nan 0.000 0.454 418 K N 2.205 122.593 120.400 -0.021 0.000 2.553 418 K HA 0.439 4.758 4.320 -0.000 0.000 0.250 418 K C -0.821 175.778 176.600 -0.002 0.000 0.953 418 K CA -0.620 55.653 56.287 -0.024 0.000 0.800 418 K CB 2.259 34.729 32.500 -0.051 0.000 1.243 418 K HN 0.676 nan 8.250 nan 0.000 0.435 419 T N 3.097 117.651 114.554 0.000 0.000 2.901 419 T HA 0.268 4.618 4.350 -0.000 0.000 0.301 419 T C 0.516 175.224 174.700 0.013 0.000 1.012 419 T CA -0.106 62.002 62.100 0.013 0.000 1.135 419 T CB 0.368 69.241 68.868 0.008 0.000 0.936 419 T HN 0.318 nan 8.240 nan 0.000 0.539 420 I N 2.675 123.267 120.570 0.037 0.000 2.331 420 I HA 0.473 4.643 4.170 -0.000 0.000 0.292 420 I C 0.431 176.566 176.117 0.030 0.000 0.998 420 I CA -0.084 61.245 61.300 0.048 0.000 1.267 420 I CB 1.381 39.437 38.000 0.093 0.000 1.386 420 I HN 0.543 nan 8.210 nan 0.000 0.476 421 S N 3.599 119.284 115.700 -0.024 0.000 2.537 421 S HA 0.531 5.001 4.470 -0.000 0.000 0.271 421 S C 0.524 174.941 174.600 -0.306 0.000 1.148 421 S CA -0.040 58.096 58.200 -0.108 0.000 0.868 421 S CB 1.664 64.808 63.200 -0.093 0.000 1.115 421 S HN 0.697 nan 8.310 nan 0.000 0.461 422 A N 3.487 126.037 122.820 -0.450 0.000 2.024 422 A HA -0.045 4.275 4.320 -0.000 0.000 0.220 422 A C 1.590 178.831 177.584 -0.572 0.000 1.164 422 A CA 1.474 52.960 52.037 -0.919 0.000 0.643 422 A CB -0.535 18.187 19.000 -0.463 0.000 0.806 422 A HN 0.831 nan 8.150 nan 0.000 0.451 423 K N -1.170 119.058 120.400 -0.286 0.000 2.574 423 K HA -0.017 4.302 4.320 -0.000 0.000 0.193 423 K C 1.015 177.554 176.600 -0.101 0.000 1.035 423 K CA 1.175 57.371 56.287 -0.151 0.000 0.982 423 K CB -0.116 32.320 32.500 -0.106 0.000 0.795 423 K HN 0.451 nan 8.250 nan 0.000 0.491 424 T N -0.648 113.836 114.554 -0.117 0.000 3.259 424 T HA -0.018 4.332 4.350 -0.000 0.000 0.287 424 T C 0.074 174.807 174.700 0.054 0.000 0.874 424 T CA -0.510 61.574 62.100 -0.028 0.000 0.878 424 T CB 0.039 68.888 68.868 -0.032 0.000 1.223 424 T HN 0.452 nan 8.240 nan 0.000 0.630 425 H N 0.411 119.477 119.070 -0.007 0.000 2.703 425 H HA 0.376 4.932 4.556 -0.000 0.000 0.377 425 H C 0.222 175.538 175.328 -0.020 0.000 1.392 425 H CA -0.451 55.595 56.048 -0.003 0.000 1.458 425 H CB 0.408 30.185 29.762 0.026 0.000 1.529 425 H HN -0.008 nan 8.280 nan 0.000 0.619 426 N N 0.421 119.148 118.700 0.045 0.000 2.327 426 N HA 0.001 4.741 4.740 -0.000 0.000 0.231 426 N C -0.334 175.053 175.510 -0.206 0.000 1.130 426 N CA 0.054 53.057 53.050 -0.078 0.000 0.845 426 N CB 0.734 39.153 38.487 -0.112 0.000 1.073 426 N HN 0.426 nan 8.380 nan 0.000 0.496 427 S N -0.173 115.273 115.700 -0.423 0.000 2.651 427 S HA 0.252 4.722 4.470 -0.000 0.000 0.291 427 S C 1.261 175.687 174.600 -0.290 0.000 1.141 427 S CA -0.591 57.317 58.200 -0.486 0.000 1.027 427 S CB 1.267 64.005 63.200 -0.770 0.000 1.043 427 S HN 0.261 nan 8.310 nan 0.000 0.530 428 S N 2.721 118.334 115.700 -0.145 0.000 2.593 428 S HA 0.209 4.679 4.470 -0.000 0.000 0.217 428 S C 0.355 174.977 174.600 0.035 0.000 0.966 428 S CA -0.160 58.023 58.200 -0.028 0.000 0.914 428 S CB -0.531 62.650 63.200 -0.030 0.000 0.776 428 S HN 0.491 nan 8.310 nan 0.000 0.523 429 L N 2.206 123.444 121.223 0.025 0.000 2.439 429 L HA 0.336 4.676 4.340 -0.000 0.000 0.269 429 L C 1.354 178.367 176.870 0.238 0.000 1.179 429 L CA 0.268 55.189 54.840 0.135 0.000 0.828 429 L CB 0.528 42.664 42.059 0.128 0.000 1.106 429 L HN 0.070 nan 8.230 nan 0.000 0.467 430 E N 1.119 121.430 120.200 0.186 0.000 2.076 430 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 430 E C -0.603 175.960 176.600 -0.062 0.000 0.979 430 E CA 1.220 57.662 56.400 0.071 0.000 0.807 430 E CB -0.091 29.668 29.700 0.099 0.000 0.761 430 E HN 0.389 nan 8.360 nan 0.000 0.454 431 Y N 0.365 120.706 120.300 0.069 0.000 2.376 431 Y HA 0.377 4.927 4.550 -0.000 0.000 0.325 431 Y C 0.440 176.375 175.900 0.059 0.000 1.199 431 Y CA -0.806 57.308 58.100 0.024 0.000 1.206 431 Y CB 0.887 39.341 38.460 -0.010 0.000 1.229 431 Y HN -0.123 nan 8.280 nan 0.000 0.480 432 N N 2.381 121.156 118.700 0.125 0.000 2.284 432 N HA 0.188 4.927 4.740 -0.000 0.000 0.300 432 N C 0.272 175.730 175.510 -0.087 0.000 1.047 432 N CA -0.487 52.622 53.050 0.099 0.000 0.821 432 N CB 1.533 40.088 38.487 0.114 0.000 1.337 432 N HN 0.818 nan 8.380 nan 0.000 0.482 433 I N -0.306 120.051 120.570 -0.354 0.000 3.111 433 I HA 0.169 4.339 4.170 -0.000 0.000 0.272 433 I C -0.153 175.530 176.117 -0.724 0.000 1.268 433 I CA 0.734 61.479 61.300 -0.925 0.000 1.467 433 I CB -0.187 36.895 38.000 -1.530 0.000 1.087 433 I HN 0.182 nan 8.210 nan 0.000 0.467 434 F N 1.621 121.533 119.950 -0.063 0.000 2.730 434 F HA 0.372 4.899 4.527 -0.000 0.000 0.295 434 F C 0.773 176.590 175.800 0.029 0.000 1.143 434 F CA -0.773 57.242 58.000 0.025 0.000 1.367 434 F CB -0.393 38.634 39.000 0.046 0.000 0.970 434 F HN 0.028 nan 8.300 nan 0.000 0.514 435 E N 0.886 121.143 120.200 0.094 0.000 2.417 435 E HA 0.367 4.717 4.350 -0.000 0.000 0.261 435 E C 1.245 177.888 176.600 0.072 0.000 1.000 435 E CA 0.957 57.392 56.400 0.059 0.000 0.919 435 E CB 0.369 30.077 29.700 0.013 0.000 0.955 435 E HN 0.497 nan 8.360 nan 0.000 0.455 436 G N 4.095 112.932 108.800 0.062 0.000 2.175 436 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.244 436 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.244 436 G C 0.322 175.270 174.900 0.080 0.000 0.982 436 G CA 0.182 45.316 45.100 0.057 0.000 0.641 436 G HN 0.588 nan 8.290 nan 0.000 0.527 437 M N 1.402 121.070 119.600 0.114 0.000 2.251 437 M HA 0.442 4.921 4.480 -0.000 0.000 0.346 437 M C -0.189 176.164 176.300 0.088 0.000 1.499 437 M CA 0.068 55.443 55.300 0.125 0.000 1.128 437 M CB 0.252 32.964 32.600 0.186 0.000 1.809 437 M HN 0.105 nan 8.290 nan 0.000 0.464 438 E N 4.645 124.890 120.200 0.074 0.000 1.941 438 E HA 0.172 4.522 4.350 -0.000 0.000 0.275 438 E C -0.870 175.769 176.600 0.065 0.000 1.113 438 E CA 0.008 56.442 56.400 0.056 0.000 0.878 438 E CB 0.314 30.041 29.700 0.045 0.000 1.070 438 E HN 0.616 nan 8.360 nan 0.000 0.399 439 C N 4.380 123.718 119.300 0.063 0.000 2.417 439 C HA 0.616 5.076 4.460 -0.000 0.000 0.324 439 C C -0.122 174.915 174.990 0.079 0.000 1.240 439 C CA -1.027 58.040 59.018 0.082 0.000 1.632 439 C CB 0.670 28.462 27.740 0.086 0.000 2.241 439 C HN 0.806 nan 8.230 nan 0.000 0.499 440 R N 3.324 123.899 120.500 0.125 0.000 2.308 440 R HA 0.583 4.923 4.340 -0.000 0.000 0.305 440 R C 0.244 176.679 176.300 0.225 0.000 1.053 440 R CA 1.154 57.340 56.100 0.143 0.000 0.957 440 R CB 0.707 31.113 30.300 0.177 0.000 1.022 440 R HN 1.781 nan 8.270 nan 0.000 0.461 441 G N 1.990 110.781 108.800 -0.015 0.000 3.069 441 G HA2 0.074 4.033 3.960 -0.000 0.000 0.686 441 G HA3 0.074 4.033 3.960 -0.000 0.000 0.686 441 G C -1.241 173.297 174.900 -0.603 0.000 1.161 441 G CA -0.387 44.507 45.100 -0.342 0.000 0.804 441 G HN 0.975 nan 8.290 nan 0.000 0.608 442 S N 1.628 116.474 115.700 -1.422 0.000 2.586 442 S HA 0.833 5.303 4.470 -0.000 0.000 0.277 442 S C -3.397 170.462 174.600 -1.234 0.000 1.131 442 S CA -0.915 56.639 58.200 -1.077 0.000 0.848 442 S CB 2.730 65.641 63.200 -0.482 0.000 1.091 442 S HN 0.865 nan 8.310 nan 0.000 0.453 443 P HA 0.374 nan 4.420 nan 0.000 0.276 443 P C 0.205 177.379 177.300 -0.210 0.000 1.230 443 P CA -0.603 62.355 63.100 -0.237 0.000 0.776 443 P CB 0.696 32.409 31.700 0.022 0.000 0.888 444 L N 1.995 123.122 121.223 -0.160 0.000 2.262 444 L HA 0.168 4.507 4.340 -0.000 0.000 0.197 444 L C 0.773 177.613 176.870 -0.050 0.000 1.073 444 L CA 0.678 55.451 54.840 -0.111 0.000 0.800 444 L CB -0.091 41.902 42.059 -0.110 0.000 0.987 444 L HN 0.106 nan 8.230 nan 0.000 0.470 445 V N 0.563 120.461 119.914 -0.026 0.000 2.628 445 V HA 0.409 4.529 4.120 -0.000 0.000 0.306 445 V C -0.388 175.718 176.094 0.021 0.000 1.045 445 V CA -0.639 61.660 62.300 -0.002 0.000 0.905 445 V CB 2.508 34.327 31.823 -0.008 0.000 0.997 445 V HN -0.148 nan 8.190 nan 0.000 0.436 446 V N 5.713 125.643 119.914 0.027 0.000 2.444 446 V HA 0.539 4.658 4.120 -0.000 0.000 0.294 446 V C -0.435 175.674 176.094 0.025 0.000 1.022 446 V CA -0.364 61.957 62.300 0.035 0.000 0.850 446 V CB 1.716 33.561 31.823 0.037 0.000 0.992 446 V HN 0.686 nan 8.190 nan 0.000 0.426 447 I N 3.901 124.482 120.570 0.019 0.000 2.389 447 I HA 0.554 4.724 4.170 -0.000 0.000 0.288 447 I C -0.069 176.053 176.117 0.008 0.000 0.999 447 I CA -0.044 61.261 61.300 0.009 0.000 1.129 447 I CB 1.975 39.975 38.000 -0.001 0.000 1.288 447 I HN 0.637 nan 8.210 nan 0.000 0.444 448 S N 6.009 121.715 115.700 0.009 0.000 2.594 448 S HA 0.337 4.807 4.470 -0.000 0.000 0.296 448 S C -0.216 174.388 174.600 0.007 0.000 1.124 448 S CA -0.333 57.873 58.200 0.010 0.000 1.011 448 S CB 1.056 64.267 63.200 0.019 0.000 1.016 448 S HN 0.726 nan 8.310 nan 0.000 0.485 449 Q N 2.812 122.611 119.800 -0.000 0.000 2.481 449 Q HA -0.223 4.117 4.340 -0.000 0.000 0.272 449 Q C 0.956 176.947 176.000 -0.015 0.000 1.157 449 Q CA 0.925 56.724 55.803 -0.006 0.000 0.935 449 Q CB -2.064 26.678 28.738 0.006 0.000 1.338 449 Q HN 1.823 nan 8.270 nan 0.000 0.494 450 G N -0.416 108.372 108.800 -0.021 0.000 2.179 450 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 450 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 450 G C -0.017 174.871 174.900 -0.020 0.000 0.977 450 G CA 0.708 45.790 45.100 -0.030 0.000 0.641 450 G HN 0.273 nan 8.290 nan 0.000 0.533 451 K N 0.000 120.394 120.400 -0.010 0.000 2.221 451 K HA 0.617 4.937 4.320 -0.000 0.000 0.258 451 K C 0.189 176.786 176.600 -0.004 0.000 0.944 451 K CA -0.982 55.301 56.287 -0.007 0.000 0.823 451 K CB 1.920 34.422 32.500 0.003 0.000 1.113 451 K HN 0.185 nan 8.250 nan 0.000 0.431 452 I N 3.150 123.709 120.570 -0.019 0.000 2.517 452 I HA -0.067 4.103 4.170 -0.000 0.000 0.285 452 I C 1.259 177.386 176.117 0.017 0.000 1.106 452 I CA -0.054 61.237 61.300 -0.016 0.000 1.402 452 I CB 0.677 38.645 38.000 -0.055 0.000 1.399 452 I HN 0.482 nan 8.210 nan 0.000 0.535 453 V N 5.028 124.975 119.914 0.054 0.000 3.528 453 V HA 0.427 4.547 4.120 -0.000 0.000 0.294 453 V C -0.215 175.954 176.094 0.124 0.000 1.404 453 V CA -0.089 62.271 62.300 0.100 0.000 1.065 453 V CB 0.450 32.303 31.823 0.050 0.000 0.904 453 V HN 0.553 nan 8.190 nan 0.000 0.435 454 L N 0.526 121.821 121.223 0.119 0.000 2.513 454 L HA 0.822 5.162 4.340 -0.000 0.000 0.261 454 L C -1.237 175.697 176.870 0.107 0.000 0.945 454 L CA -0.152 54.758 54.840 0.117 0.000 0.848 454 L CB 2.099 44.180 42.059 0.037 0.000 1.334 454 L HN 0.372 nan 8.230 nan 0.000 0.407 455 E N 3.075 123.358 120.200 0.139 0.000 2.422 455 E HA 0.284 4.634 4.350 -0.000 0.000 0.289 455 E C -1.400 175.250 176.600 0.084 0.000 0.985 455 E CA -0.424 56.023 56.400 0.079 0.000 0.812 455 E CB 1.284 31.009 29.700 0.042 0.000 1.226 455 E HN 0.783 nan 8.360 nan 0.000 0.419 456 D N 2.860 123.279 120.400 0.032 0.000 2.689 456 D HA -0.211 4.429 4.640 -0.000 0.000 0.237 456 D C 0.719 177.026 176.300 0.012 0.000 1.148 456 D CA 1.624 55.636 54.000 0.021 0.000 0.656 456 D CB -1.406 39.414 40.800 0.034 0.000 1.050 456 D HN 1.006 nan 8.370 nan 0.000 0.426 457 G N -0.717 108.080 108.800 -0.005 0.000 2.180 457 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.263 457 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.263 457 G C 0.429 175.312 174.900 -0.029 0.000 0.989 457 G CA 0.999 46.085 45.100 -0.022 0.000 0.692 457 G HN 0.534 nan 8.290 nan 0.000 0.526 458 T N 0.970 115.515 114.554 -0.015 0.000 2.786 458 T HA 0.561 4.911 4.350 -0.000 0.000 0.283 458 T C -0.019 174.564 174.700 -0.195 0.000 0.992 458 T CA -0.583 61.456 62.100 -0.103 0.000 0.954 458 T CB 1.582 70.400 68.868 -0.083 0.000 0.934 458 T HN 0.177 nan 8.240 nan 0.000 0.440 459 L N 3.755 124.828 121.223 -0.249 0.000 2.380 459 L HA 0.297 4.637 4.340 -0.000 0.000 0.273 459 L C 0.354 176.972 176.870 -0.419 0.000 1.138 459 L CA 0.323 55.035 54.840 -0.212 0.000 0.832 459 L CB 0.188 42.164 42.059 -0.139 0.000 1.124 459 L HN 0.734 nan 8.230 nan 0.000 0.454 460 H N 1.467 120.531 119.070 -0.011 0.000 2.624 460 H HA 0.343 4.899 4.556 -0.000 0.000 0.233 460 H C -0.428 174.904 175.328 0.006 0.000 1.376 460 H CA -0.544 55.505 56.048 0.002 0.000 1.137 460 H CB 0.513 30.275 29.762 0.000 0.000 1.867 460 H HN 0.369 nan 8.280 nan 0.000 0.547 461 V N -1.055 118.896 119.914 0.061 0.000 2.785 461 V HA 0.549 4.669 4.120 -0.000 0.000 0.300 461 V C 0.340 176.494 176.094 0.100 0.000 1.062 461 V CA -0.463 61.867 62.300 0.050 0.000 1.029 461 V CB 1.783 33.583 31.823 -0.037 0.000 1.024 461 V HN 0.282 nan 8.190 nan 0.000 0.477 462 T N 3.069 117.684 114.554 0.101 0.000 2.791 462 T HA 0.337 4.687 4.350 -0.000 0.000 0.288 462 T C -0.206 174.595 174.700 0.168 0.000 0.999 462 T CA -0.235 61.940 62.100 0.124 0.000 0.952 462 T CB 0.925 69.842 68.868 0.082 0.000 0.938 462 T HN 0.998 nan 8.240 nan 0.000 0.444 463 E N 1.935 122.296 120.200 0.269 0.000 2.558 463 E HA 0.232 4.582 4.350 -0.000 0.000 0.255 463 E C 1.258 177.940 176.600 0.137 0.000 0.968 463 E CA 1.084 57.662 56.400 0.297 0.000 0.939 463 E CB -0.150 29.616 29.700 0.111 0.000 0.921 463 E HN 1.020 nan 8.360 nan 0.000 0.477 464 G N 3.037 111.913 108.800 0.126 0.000 2.159 464 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.256 464 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.256 464 G C 0.810 175.754 174.900 0.073 0.000 0.977 464 G CA 0.702 45.847 45.100 0.075 0.000 0.652 464 G HN 0.709 nan 8.290 nan 0.000 0.531 465 S N -0.425 115.324 115.700 0.081 0.000 2.428 465 S HA 0.360 4.830 4.470 -0.000 0.000 0.230 465 S C 1.617 176.268 174.600 0.084 0.000 1.014 465 S CA 0.997 59.240 58.200 0.072 0.000 0.957 465 S CB 0.062 63.301 63.200 0.065 0.000 0.784 465 S HN 1.686 nan 8.310 nan 0.000 0.499 466 G N 1.542 110.406 108.800 0.107 0.000 2.442 466 G HA2 0.467 4.427 3.960 -0.000 0.000 0.249 466 G HA3 0.467 4.427 3.960 -0.000 0.000 0.249 466 G C -0.378 174.654 174.900 0.219 0.000 1.263 466 G CA -0.837 44.357 45.100 0.156 0.000 0.846 466 G HN 0.376 nan 8.290 nan 0.000 0.555 467 R N 0.279 120.890 120.500 0.184 0.000 2.486 467 R HA 0.200 4.540 4.340 -0.000 0.000 0.286 467 R C -0.993 175.329 176.300 0.037 0.000 0.999 467 R CA -0.751 55.431 56.100 0.136 0.000 0.993 467 R CB 1.566 31.892 30.300 0.043 0.000 1.084 467 R HN 0.628 nan 8.270 nan 0.000 0.487 468 Y N 4.014 124.171 120.300 -0.239 0.000 2.480 468 Y HA 0.137 4.687 4.550 -0.000 0.000 0.341 468 Y C -0.388 175.287 175.900 -0.376 0.000 1.031 468 Y CA -0.445 57.224 58.100 -0.718 0.000 1.295 468 Y CB 0.501 38.633 38.460 -0.545 0.000 1.162 468 Y HN 0.354 nan 8.280 nan 0.000 0.523 469 I N 9.746 129.741 120.570 -0.958 0.000 2.312 469 I HA 0.249 4.419 4.170 -0.000 0.000 0.291 469 I C -2.416 173.212 176.117 -0.814 0.000 1.031 469 I CA -2.553 58.367 61.300 -0.633 0.000 1.293 469 I CB 0.781 38.546 38.000 -0.393 0.000 1.403 469 I HN 0.505 nan 8.210 nan 0.000 0.484 470 P HA 0.380 nan 4.420 nan 0.000 0.280 470 P C -0.871 176.333 177.300 -0.161 0.000 1.244 470 P CA -0.520 62.467 63.100 -0.188 0.000 0.784 470 P CB 0.642 32.353 31.700 0.019 0.000 0.913 471 R N 2.279 122.705 120.500 -0.123 0.000 2.409 471 R HA 0.370 4.710 4.340 -0.000 0.000 0.313 471 R C 0.055 176.334 176.300 -0.035 0.000 0.953 471 R CA -0.831 55.219 56.100 -0.083 0.000 0.849 471 R CB 1.754 31.990 30.300 -0.106 0.000 1.171 471 R HN 0.364 nan 8.270 nan 0.000 0.458 472 K N 3.261 123.656 120.400 -0.010 0.000 2.276 472 K HA 0.162 4.482 4.320 -0.000 0.000 0.259 472 K C -2.026 174.568 176.600 -0.010 0.000 1.001 472 K CA -1.320 54.971 56.287 0.006 0.000 0.927 472 K CB 0.301 32.822 32.500 0.034 0.000 0.969 472 K HN 0.270 nan 8.250 nan 0.000 0.490 473 P HA 0.120 nan 4.420 nan 0.000 0.277 473 P C -0.684 176.519 177.300 -0.161 0.000 1.271 473 P CA -0.398 62.547 63.100 -0.259 0.000 0.795 473 P CB 0.148 31.564 31.700 -0.473 0.000 1.101 474 F N -3.546 116.304 119.950 -0.167 0.000 2.985 474 F HA -0.130 4.397 4.527 -0.000 0.000 0.303 474 F C -1.698 174.159 175.800 0.096 0.000 0.976 474 F CA -0.301 57.590 58.000 -0.181 0.000 1.013 474 F CB -2.896 35.965 39.000 -0.232 0.000 1.060 474 F HN 0.237 nan 8.300 nan 0.000 0.780 475 P HA -0.008 nan 4.420 nan 0.000 0.261 475 P C 0.917 178.385 177.300 0.280 0.000 1.203 475 P CA 0.307 63.548 63.100 0.234 0.000 0.767 475 P CB 0.825 32.624 31.700 0.166 0.000 0.785 476 D N 2.470 123.009 120.400 0.231 0.000 2.154 476 D HA -0.237 4.402 4.640 -0.000 0.000 0.190 476 D C 1.403 177.819 176.300 0.194 0.000 1.003 476 D CA 1.412 55.535 54.000 0.204 0.000 0.849 476 D CB -0.734 40.165 40.800 0.166 0.000 0.942 476 D HN 0.408 nan 8.370 nan 0.000 0.446 477 F N 0.614 120.590 119.950 0.044 0.000 2.236 477 F HA -0.218 4.309 4.527 -0.000 0.000 0.302 477 F C 1.983 177.797 175.800 0.022 0.000 1.073 477 F CA 1.012 59.014 58.000 0.004 0.000 1.336 477 F CB 0.170 39.133 39.000 -0.061 0.000 1.040 477 F HN -0.153 nan 8.300 nan 0.000 0.507 478 V N -2.003 117.961 119.914 0.084 0.000 2.690 478 V HA -0.144 3.975 4.120 -0.000 0.000 0.240 478 V C 1.571 177.610 176.094 -0.092 0.000 1.078 478 V CA 1.022 63.307 62.300 -0.026 0.000 1.102 478 V CB -0.869 30.942 31.823 -0.021 0.000 0.800 478 V HN 0.184 nan 8.190 nan 0.000 0.479 479 Y N 0.753 121.102 120.300 0.081 0.000 2.519 479 Y HA 0.074 4.624 4.550 -0.000 0.000 0.287 479 Y C 2.363 178.306 175.900 0.071 0.000 1.128 479 Y CA 0.757 58.926 58.100 0.115 0.000 1.282 479 Y CB -0.052 38.556 38.460 0.247 0.000 1.027 479 Y HN 0.151 nan 8.280 nan 0.000 0.551 480 K N 0.010 120.497 120.400 0.144 0.000 2.032 480 K HA -0.203 4.116 4.320 -0.000 0.000 0.209 480 K C 2.073 178.690 176.600 0.028 0.000 1.048 480 K CA 1.544 57.878 56.287 0.078 0.000 0.927 480 K CB -0.163 32.364 32.500 0.046 0.000 0.712 480 K HN 0.264 nan 8.250 nan 0.000 0.441 481 R N 0.438 120.924 120.500 -0.023 0.000 2.115 481 R HA -0.047 4.292 4.340 -0.000 0.000 0.230 481 R C 2.281 178.562 176.300 -0.031 0.000 1.111 481 R CA 0.876 56.948 56.100 -0.046 0.000 0.976 481 R CB -0.147 30.097 30.300 -0.094 0.000 0.870 481 R HN 0.159 nan 8.270 nan 0.000 0.445 482 I N 1.275 121.829 120.570 -0.028 0.000 2.163 482 I HA -0.253 3.916 4.170 -0.000 0.000 0.240 482 I C 1.914 178.082 176.117 0.085 0.000 1.081 482 I CA 1.615 62.918 61.300 0.004 0.000 1.353 482 I CB -0.860 37.111 38.000 -0.049 0.000 1.054 482 I HN 0.141 nan 8.210 nan 0.000 0.407 483 K N 1.059 121.544 120.400 0.143 0.000 2.103 483 K HA -0.128 4.191 4.320 -0.000 0.000 0.207 483 K C 2.233 178.860 176.600 0.044 0.000 1.048 483 K CA 1.550 57.897 56.287 0.100 0.000 0.930 483 K CB -0.251 32.300 32.500 0.084 0.000 0.716 483 K HN 0.307 nan 8.250 nan 0.000 0.444 484 A N 1.686 124.523 122.820 0.028 0.000 1.902 484 A HA -0.185 4.134 4.320 -0.000 0.000 0.217 484 A C 2.052 179.638 177.584 0.004 0.000 1.181 484 A CA 1.422 53.464 52.037 0.008 0.000 0.623 484 A CB -0.385 18.613 19.000 -0.003 0.000 0.818 484 A HN 0.217 nan 8.150 nan 0.000 0.443 485 R N -0.482 120.019 120.500 0.002 0.000 2.148 485 R HA -0.016 4.324 4.340 -0.000 0.000 0.227 485 R C 2.420 178.724 176.300 0.005 0.000 1.103 485 R CA 1.209 57.307 56.100 -0.004 0.000 0.983 485 R CB -0.300 29.991 30.300 -0.015 0.000 0.874 485 R HN 0.460 nan 8.270 nan 0.000 0.451 486 S N 0.502 116.212 115.700 0.018 0.000 2.382 486 S HA -0.093 4.376 4.470 -0.000 0.000 0.228 486 S C 1.773 176.382 174.600 0.014 0.000 1.027 486 S CA 1.105 59.319 58.200 0.023 0.000 0.991 486 S CB -0.045 63.179 63.200 0.039 0.000 0.823 486 S HN 0.310 nan 8.310 nan 0.000 0.469 487 R N 0.459 120.964 120.500 0.010 0.000 2.081 487 R HA 0.027 4.367 4.340 -0.000 0.000 0.235 487 R C 0.584 176.886 176.300 0.003 0.000 1.131 487 R CA 0.561 56.663 56.100 0.004 0.000 0.960 487 R CB -0.571 29.730 30.300 0.001 0.000 0.856 487 R HN 0.328 nan 8.270 nan 0.000 0.436 488 L N 0.941 122.165 121.223 0.002 0.000 2.503 488 L HA -0.023 4.317 4.340 -0.000 0.000 0.287 488 L C 0.699 177.570 176.870 0.003 0.000 1.252 488 L CA -0.344 54.496 54.840 0.000 0.000 0.835 488 L CB 0.145 42.202 42.059 -0.003 0.000 1.099 488 L HN 0.214 nan 8.230 nan 0.000 0.516 489 A N 2.096 124.917 122.820 0.003 0.000 2.239 489 A HA 0.421 4.740 4.320 -0.000 0.000 0.303 489 A C 0.076 177.664 177.584 0.006 0.000 1.114 489 A CA -0.642 51.398 52.037 0.005 0.000 0.871 489 A CB 0.467 19.470 19.000 0.004 0.000 1.201 489 A HN 0.689 nan 8.150 nan 0.000 0.506 490 E N 0.000 120.205 120.200 0.009 0.000 2.725 490 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 490 E CA 0.000 56.406 56.400 0.011 0.000 0.976 490 E CB 0.000 29.709 29.700 0.014 0.000 0.812 490 E HN 0.000 nan 8.360 nan 0.000 0.440