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 2wk4_1_A DATA FIRST_RESID 4 DATA SEQUENCE QWKGLPVVKS GLDVGGMPTG TRYHRSPAWP EEQPGETHAP APFGSGDKRY DATA SEQUENCE TFSQTEMLVN GLKPYTEPTA GVPPQLLSRA VTHVRSYIET IIGTHRSPVL DATA SEQUENCE TYHQACELLE RTTSCGPFVQ GLKGDYWDEE QQQYTGVLAN HLEQAWDKAN DATA SEQUENCE KGIAPRNAYK LALKDELRPI EKNKAGKRRL LWGCDAATTL IATAAFKAVA DATA SEQUENCE TRLQVVTPMT PVAVGINMDS VQMQVMNDSL KGGVLYCLDY SKWDSTQNPA DATA SEQUENCE VTAASLAILE RFAEPHPIVS CAIEALSSPA EGYVNDIKFV TRGGLPSGMP DATA SEQUENCE FTSVVNSINH MIYVAAAILQ AYESHNVPYT GNVFQVETIH TYGGGCMYSV DATA SEQUENCE CPATASIFHT VLANLTSYGL KPTAADKSDA IKPTNTPVFL KRTFTQTPHG DATA SEQUENCE IRALLDITSI TRQFYWLKAN RTSDPSSPPA FDRQARSAQL ENALAYASQH DATA SEQUENCE GPVMFDTVRQ IAIKTAQGEG LVLVNTNYDQ ALATYNAWFI GGTVPDPVG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.861 176.000 -0.232 0.000 1.003 4 Q CA 0.000 55.714 55.803 -0.148 0.000 1.022 4 Q CB 0.000 28.658 28.738 -0.133 0.000 1.108 5 W N 3.927 125.243 121.300 0.027 0.000 3.278 5 W HA 0.371 5.031 4.660 0.000 0.000 0.308 5 W C 0.174 176.705 176.519 0.021 0.000 1.253 5 W CA -0.098 57.267 57.345 0.034 0.000 1.759 5 W CB 0.669 30.147 29.460 0.030 0.000 1.093 5 W HN 0.042 nan 8.180 nan 0.000 0.648 6 K N 0.160 120.672 120.400 0.185 0.000 2.249 6 K HA 0.584 4.904 4.320 0.000 0.000 0.280 6 K C 0.946 177.595 176.600 0.082 0.000 1.033 6 K CA 0.282 56.639 56.287 0.116 0.000 0.946 6 K CB 1.295 33.842 32.500 0.077 0.000 1.005 6 K HN 0.034 nan 8.250 nan 0.000 0.469 7 G N 1.423 110.260 108.800 0.062 0.000 2.141 7 G HA2 -0.157 3.803 3.960 0.000 0.000 0.242 7 G HA3 -0.157 3.803 3.960 0.000 0.000 0.242 7 G C -0.475 174.455 174.900 0.051 0.000 0.982 7 G CA -0.203 44.924 45.100 0.046 0.000 0.662 7 G HN 0.383 nan 8.290 nan 0.000 0.527 8 L N 0.438 121.698 121.223 0.061 0.000 2.381 8 L HA 0.531 4.871 4.340 0.000 0.000 0.268 8 L C -1.863 174.940 176.870 -0.111 0.000 0.997 8 L CA -2.542 52.308 54.840 0.017 0.000 0.818 8 L CB 1.267 43.435 42.059 0.181 0.000 1.310 8 L HN -0.124 nan 8.230 nan 0.000 0.416 9 P HA 0.032 nan 4.420 nan 0.000 0.238 9 P C -0.127 176.975 177.300 -0.330 0.000 1.649 9 P CA 0.251 63.170 63.100 -0.301 0.000 0.960 9 P CB -0.026 31.456 31.700 -0.363 0.000 1.911 10 V N 1.100 120.897 119.914 -0.195 0.000 2.612 10 V HA 0.482 4.602 4.120 0.000 0.000 0.301 10 V C 0.447 176.454 176.094 -0.145 0.000 1.046 10 V CA -0.576 61.618 62.300 -0.177 0.000 0.946 10 V CB 2.438 34.199 31.823 -0.103 0.000 1.003 10 V HN 0.071 nan 8.190 nan 0.000 0.459 11 V N 3.413 123.217 119.914 -0.183 0.000 3.232 11 V HA 0.519 4.640 4.120 0.000 0.000 0.303 11 V C -1.032 174.967 176.094 -0.158 0.000 1.311 11 V CA -1.036 61.182 62.300 -0.136 0.000 1.061 11 V CB 2.839 34.597 31.823 -0.110 0.000 1.085 11 V HN 0.766 nan 8.190 nan 0.000 0.447 12 K N 1.700 122.039 120.400 -0.101 0.000 2.312 12 K HA 0.240 4.560 4.320 0.000 0.000 0.287 12 K C 1.097 177.653 176.600 -0.074 0.000 1.062 12 K CA 0.615 56.852 56.287 -0.084 0.000 0.934 12 K CB 1.321 33.798 32.500 -0.039 0.000 1.027 12 K HN 0.856 nan 8.250 nan 0.000 0.478 13 S N 1.749 117.397 115.700 -0.086 0.000 2.489 13 S HA -0.022 4.448 4.470 0.000 0.000 0.228 13 S C 1.335 175.987 174.600 0.086 0.000 0.995 13 S CA 0.709 58.884 58.200 -0.041 0.000 0.934 13 S CB -0.158 62.990 63.200 -0.087 0.000 0.771 13 S HN 0.854 nan 8.310 nan 0.000 0.522 14 G N 0.472 109.308 108.800 0.060 0.000 2.179 14 G HA2 -0.204 3.756 3.960 0.000 0.000 0.260 14 G HA3 -0.204 3.756 3.960 0.000 0.000 0.260 14 G C -0.089 174.870 174.900 0.098 0.000 0.977 14 G CA 0.576 45.719 45.100 0.072 0.000 0.641 14 G HN 0.580 nan 8.290 nan 0.000 0.533 15 L N -0.897 120.405 121.223 0.132 0.000 2.277 15 L HA 0.828 5.168 4.340 0.000 0.000 0.254 15 L C -1.006 175.925 176.870 0.103 0.000 1.044 15 L CA -1.169 53.749 54.840 0.131 0.000 0.842 15 L CB 2.022 44.197 42.059 0.193 0.000 1.422 15 L HN 0.052 nan 8.230 nan 0.000 0.422 16 D N -0.391 120.057 120.400 0.080 0.000 2.686 16 D HA 0.306 4.946 4.640 0.000 0.000 0.249 16 D C -0.463 175.866 176.300 0.049 0.000 1.260 16 D CA -0.271 53.765 54.000 0.059 0.000 0.910 16 D CB 2.534 43.361 40.800 0.045 0.000 1.323 16 D HN 0.155 nan 8.370 nan 0.000 0.561 17 V N 2.441 122.383 119.914 0.046 0.000 3.644 17 V HA 0.433 4.553 4.120 0.000 0.000 0.267 17 V C 1.037 177.139 176.094 0.013 0.000 1.277 17 V CA 1.070 63.380 62.300 0.017 0.000 1.096 17 V CB -0.417 31.417 31.823 0.019 0.000 0.828 17 V HN 0.943 nan 8.190 nan 0.000 0.446 18 G N -0.528 108.288 108.800 0.027 0.000 2.690 18 G HA2 0.115 4.075 3.960 0.000 0.000 0.686 18 G HA3 0.115 4.075 3.960 0.000 0.000 0.686 18 G C 0.132 175.052 174.900 0.033 0.000 1.277 18 G CA -0.618 44.499 45.100 0.029 0.000 0.799 18 G HN 0.781 nan 8.290 nan 0.000 0.613 19 G N -0.299 108.525 108.800 0.040 0.000 2.616 19 G HA2 0.597 4.557 3.960 0.000 0.000 0.268 19 G HA3 0.597 4.557 3.960 0.000 0.000 0.268 19 G C 0.764 175.684 174.900 0.034 0.000 1.213 19 G CA -0.338 44.791 45.100 0.047 0.000 0.926 19 G HN 0.848 nan 8.290 nan 0.000 0.523 20 M N 1.312 120.933 119.600 0.036 0.000 2.228 20 M HA 0.201 4.681 4.480 0.000 0.000 0.326 20 M C -1.633 174.685 176.300 0.030 0.000 1.122 20 M CA -1.185 54.129 55.300 0.024 0.000 1.161 20 M CB 0.640 33.252 32.600 0.021 0.000 1.437 20 M HN 0.314 nan 8.290 nan 0.000 0.465 21 P HA 0.081 nan 4.420 nan 0.000 0.271 21 P C -0.641 176.684 177.300 0.043 0.000 1.216 21 P CA -0.228 62.887 63.100 0.026 0.000 0.776 21 P CB 0.198 31.904 31.700 0.012 0.000 0.881 22 T N -1.071 113.513 114.554 0.050 0.000 2.928 22 T HA 0.607 4.957 4.350 0.000 0.000 0.284 22 T C 0.505 175.233 174.700 0.047 0.000 1.008 22 T CA 0.347 62.497 62.100 0.084 0.000 1.057 22 T CB 0.915 69.838 68.868 0.091 0.000 1.018 22 T HN 0.875 nan 8.240 nan 0.000 0.493 23 G N 0.561 109.410 108.800 0.082 0.000 2.660 23 G HA2 0.222 4.182 3.960 0.000 0.000 0.215 23 G HA3 0.222 4.182 3.960 0.000 0.000 0.215 23 G C -0.190 174.398 174.900 -0.519 0.000 1.345 23 G CA -0.119 44.830 45.100 -0.253 0.000 0.877 23 G HN 1.746 nan 8.290 nan 0.000 0.549 24 T N -1.739 112.396 114.554 -0.698 0.000 2.900 24 T HA 0.653 5.003 4.350 0.000 0.000 0.303 24 T C 0.888 175.418 174.700 -0.282 0.000 1.142 24 T CA -0.145 61.681 62.100 -0.457 0.000 1.007 24 T CB 1.716 70.237 68.868 -0.579 0.000 1.156 24 T HN 0.691 nan 8.240 nan 0.000 0.490 25 R N 1.421 121.807 120.500 -0.189 0.000 2.310 25 R HA 0.160 4.500 4.340 0.000 0.000 0.202 25 R C -0.465 175.697 176.300 -0.231 0.000 0.933 25 R CA 0.171 56.155 56.100 -0.193 0.000 1.054 25 R CB 0.044 30.191 30.300 -0.254 0.000 0.985 25 R HN 0.525 nan 8.270 nan 0.000 0.489 26 Y N -0.016 120.234 120.300 -0.084 0.000 2.313 26 Y HA 0.175 4.725 4.550 -0.000 0.000 0.332 26 Y C 0.037 175.940 175.900 0.004 0.000 1.071 26 Y CA -0.505 57.608 58.100 0.023 0.000 1.169 26 Y CB 0.938 39.329 38.460 -0.115 0.000 1.192 26 Y HN 0.003 nan 8.280 nan 0.000 0.487 27 H N 1.254 120.570 119.070 0.409 0.000 2.495 27 H HA 0.421 4.977 4.556 0.000 0.000 0.348 27 H C -0.430 175.160 175.328 0.437 0.000 1.113 27 H CA -1.252 55.013 56.048 0.361 0.000 1.195 27 H CB 1.136 30.996 29.762 0.164 0.000 1.521 27 H HN 0.496 nan 8.280 nan 0.000 0.509 28 R N 1.392 122.081 120.500 0.315 0.000 2.585 28 R HA 0.062 4.402 4.340 0.000 0.000 0.275 28 R C 0.290 176.619 176.300 0.049 0.000 1.018 28 R CA 0.137 56.154 56.100 -0.138 0.000 1.072 28 R CB 0.353 30.548 30.300 -0.175 0.000 0.953 28 R HN 0.687 nan 8.270 nan 0.000 0.419 29 S N 4.020 119.734 115.700 0.022 0.000 2.576 29 S HA 0.113 4.583 4.470 0.000 0.000 0.272 29 S C -1.538 173.104 174.600 0.069 0.000 1.352 29 S CA -1.200 57.050 58.200 0.084 0.000 1.021 29 S CB 0.714 64.046 63.200 0.220 0.000 0.887 29 S HN 0.584 nan 8.310 nan 0.000 0.542 30 P HA 0.086 nan 4.420 nan 0.000 0.219 30 P C 0.945 178.227 177.300 -0.030 0.000 1.150 30 P CA 1.272 64.387 63.100 0.026 0.000 0.814 30 P CB -0.059 31.670 31.700 0.050 0.000 0.787 31 A N -2.327 120.443 122.820 -0.082 0.000 2.167 31 A HA -0.009 4.311 4.320 0.000 0.000 0.214 31 A C 0.430 177.689 177.584 -0.541 0.000 1.151 31 A CA 0.352 52.189 52.037 -0.333 0.000 0.735 31 A CB -0.982 17.758 19.000 -0.434 0.000 0.802 31 A HN 0.236 nan 8.150 nan 0.000 0.467 32 W N -0.243 121.063 121.300 0.010 0.000 1.950 32 W HA 0.350 5.009 4.660 -0.001 0.000 0.289 32 W C -2.023 174.457 176.519 -0.064 0.000 0.883 32 W CA -1.709 55.640 57.345 0.007 0.000 2.031 32 W CB 0.801 30.326 29.460 0.108 0.000 2.266 32 W HN 0.130 nan 8.180 nan 0.000 0.400 33 P HA -0.150 nan 4.420 nan 0.000 0.223 33 P C 0.323 177.635 177.300 0.020 0.000 1.151 33 P CA 1.656 64.777 63.100 0.036 0.000 0.787 33 P CB 0.435 32.145 31.700 0.016 0.000 0.788 34 E N 0.266 120.491 120.200 0.041 0.000 2.248 34 E HA 0.233 4.583 4.350 0.000 0.000 0.267 34 E C -0.852 175.737 176.600 -0.018 0.000 0.877 34 E CA -1.138 55.270 56.400 0.012 0.000 0.759 34 E CB 1.325 31.038 29.700 0.021 0.000 1.182 34 E HN -0.242 nan 8.360 nan 0.000 0.418 35 E N 1.821 121.984 120.200 -0.062 0.000 2.752 35 E HA -0.094 4.256 4.350 0.000 0.000 0.241 35 E C -0.544 175.969 176.600 -0.145 0.000 1.016 35 E CA 0.585 56.913 56.400 -0.120 0.000 0.952 35 E CB 0.173 29.838 29.700 -0.058 0.000 0.921 35 E HN 0.282 nan 8.360 nan 0.000 0.515 36 Q N 4.313 123.930 119.800 -0.304 0.000 2.327 36 Q HA 0.226 4.566 4.340 0.000 0.000 0.254 36 Q C -2.289 173.556 176.000 -0.259 0.000 0.952 36 Q CA -1.775 53.836 55.803 -0.320 0.000 0.884 36 Q CB 0.780 29.095 28.738 -0.705 0.000 1.224 36 Q HN 0.255 nan 8.270 nan 0.000 0.422 37 P HA 0.181 nan 4.420 nan 0.000 0.271 37 P C 0.105 177.338 177.300 -0.112 0.000 1.226 37 P CA 0.708 63.748 63.100 -0.100 0.000 0.765 37 P CB 0.923 32.592 31.700 -0.053 0.000 0.835 38 G N 2.150 110.901 108.800 -0.082 0.000 2.278 38 G HA2 -0.192 3.769 3.960 0.000 0.000 0.210 38 G HA3 -0.192 3.769 3.960 0.000 0.000 0.210 38 G C 0.034 174.907 174.900 -0.045 0.000 1.000 38 G CA -0.520 44.546 45.100 -0.056 0.000 0.635 38 G HN 0.539 nan 8.290 nan 0.000 0.495 39 E N 1.189 121.322 120.200 -0.112 0.000 2.406 39 E HA 0.336 4.686 4.350 0.000 0.000 0.258 39 E C 0.883 177.518 176.600 0.057 0.000 1.043 39 E CA 0.803 57.172 56.400 -0.052 0.000 0.929 39 E CB 0.896 30.494 29.700 -0.169 0.000 0.969 39 E HN 0.220 nan 8.360 nan 0.000 0.462 40 T N 3.013 117.661 114.554 0.157 0.000 3.040 40 T HA 0.066 4.416 4.350 0.000 0.000 0.266 40 T C -0.548 174.278 174.700 0.210 0.000 1.005 40 T CA -0.146 62.060 62.100 0.176 0.000 0.906 40 T CB 0.134 69.103 68.868 0.168 0.000 1.082 40 T HN 0.354 nan 8.240 nan 0.000 0.531 41 H N 0.493 119.597 119.070 0.056 0.000 2.679 41 H HA 0.850 5.407 4.556 0.001 0.000 0.367 41 H C -0.426 174.909 175.328 0.012 0.000 1.162 41 H CA -0.255 55.794 56.048 0.003 0.000 1.181 41 H CB 1.998 31.737 29.762 -0.039 0.000 1.693 41 H HN 0.315 nan 8.280 nan 0.000 0.538 42 A N 2.401 125.176 122.820 -0.075 0.000 2.604 42 A HA 0.555 4.875 4.320 0.000 0.000 0.295 42 A C -3.006 174.320 177.584 -0.431 0.000 1.067 42 A CA -1.789 50.084 52.037 -0.274 0.000 0.683 42 A CB 0.946 19.983 19.000 0.062 0.000 1.281 42 A HN 0.474 nan 8.150 nan 0.000 0.407 43 P HA 0.249 nan 4.420 nan 0.000 0.264 43 P C 0.261 177.510 177.300 -0.085 0.000 1.179 43 P CA 0.729 63.589 63.100 -0.401 0.000 0.763 43 P CB 0.443 32.005 31.700 -0.230 0.000 0.806 44 A N 5.517 128.307 122.820 -0.050 0.000 2.448 44 A HA 0.273 4.594 4.320 0.000 0.000 0.239 44 A C -2.041 175.630 177.584 0.145 0.000 1.080 44 A CA -0.916 51.128 52.037 0.011 0.000 0.779 44 A CB -1.383 17.609 19.000 -0.014 0.000 1.026 44 A HN 0.409 nan 8.150 nan 0.000 0.499 45 P HA 0.155 nan 4.420 nan 0.000 0.267 45 P C -0.342 177.033 177.300 0.125 0.000 1.209 45 P CA 0.469 63.630 63.100 0.100 0.000 0.763 45 P CB -0.076 31.605 31.700 -0.032 0.000 0.816 46 F N 1.631 121.650 119.950 0.114 0.000 2.850 46 F HA 0.605 5.132 4.527 0.000 0.000 0.306 46 F C 1.150 176.999 175.800 0.081 0.000 1.162 46 F CA -0.202 57.842 58.000 0.073 0.000 1.327 46 F CB -0.490 38.542 39.000 0.055 0.000 0.953 46 F HN 0.518 nan 8.300 nan 0.000 0.507 47 G N 1.499 110.319 108.800 0.034 0.000 2.552 47 G HA2 -0.258 3.702 3.960 0.000 0.000 0.267 47 G HA3 -0.258 3.702 3.960 0.000 0.000 0.267 47 G C -0.117 174.783 174.900 -0.000 0.000 1.174 47 G CA -0.069 45.067 45.100 0.060 0.000 0.955 47 G HN 1.052 nan 8.290 nan 0.000 0.546 48 S N 0.731 116.463 115.700 0.052 0.000 2.475 48 S HA 0.636 5.106 4.470 0.000 0.000 0.281 48 S C 1.088 175.732 174.600 0.073 0.000 1.198 48 S CA 0.888 59.109 58.200 0.035 0.000 1.063 48 S CB 1.313 64.541 63.200 0.046 0.000 0.972 48 S HN 2.813 nan 8.310 nan 0.000 0.486 49 G N 2.126 110.942 108.800 0.027 0.000 2.229 49 G HA2 -0.134 3.826 3.960 0.000 0.000 0.189 49 G HA3 -0.134 3.826 3.960 0.000 0.000 0.189 49 G C -0.649 174.297 174.900 0.077 0.000 1.000 49 G CA -0.148 45.010 45.100 0.097 0.000 0.663 49 G HN 0.929 nan 8.290 nan 0.000 0.493 50 D N 0.544 120.821 120.400 -0.205 0.000 2.329 50 D HA 0.557 5.197 4.640 0.000 0.000 0.232 50 D C 0.673 176.851 176.300 -0.203 0.000 1.088 50 D CA -0.997 52.839 54.000 -0.273 0.000 0.835 50 D CB 1.809 42.161 40.800 -0.747 0.000 1.078 50 D HN -0.005 nan 8.370 nan 0.000 0.495 51 K N 1.392 121.723 120.400 -0.115 0.000 2.616 51 K HA -0.005 4.315 4.320 0.000 0.000 0.192 51 K C 1.665 178.148 176.600 -0.194 0.000 1.031 51 K CA 0.303 56.520 56.287 -0.117 0.000 1.004 51 K CB -0.111 32.351 32.500 -0.063 0.000 0.810 51 K HN 0.320 nan 8.250 nan 0.000 0.497 52 R N -1.066 119.246 120.500 -0.313 0.000 2.057 52 R HA -0.004 4.336 4.340 0.000 0.000 0.229 52 R C -0.159 175.693 176.300 -0.747 0.000 1.136 52 R CA 1.386 57.124 56.100 -0.603 0.000 0.952 52 R CB 0.215 30.040 30.300 -0.791 0.000 0.848 52 R HN 0.108 nan 8.270 nan 0.000 0.430 53 Y N -2.815 117.406 120.300 -0.131 0.000 2.615 53 Y HA 0.330 4.880 4.550 0.000 0.000 0.341 53 Y C -0.589 175.133 175.900 -0.296 0.000 1.089 53 Y CA -1.278 56.700 58.100 -0.204 0.000 1.049 53 Y CB 1.934 40.335 38.460 -0.099 0.000 1.296 53 Y HN -0.314 nan 8.280 nan 0.000 0.470 54 T N 2.691 117.053 114.554 -0.320 0.000 3.355 54 T HA 0.459 4.809 4.350 0.000 0.000 0.376 54 T C -1.068 173.343 174.700 -0.480 0.000 1.683 54 T CA -0.265 61.648 62.100 -0.311 0.000 1.269 54 T CB -1.107 67.622 68.868 -0.232 0.000 1.158 54 T HN 0.301 nan 8.240 nan 0.000 0.703 55 F N 1.298 121.239 119.950 -0.015 0.000 2.508 55 F HA 0.546 5.074 4.527 0.000 0.000 0.325 55 F C 0.897 176.671 175.800 -0.044 0.000 1.090 55 F CA -1.165 56.811 58.000 -0.040 0.000 0.945 55 F CB 1.598 40.562 39.000 -0.060 0.000 1.156 55 F HN 0.255 nan 8.300 nan 0.000 0.463 56 S N 2.257 118.058 115.700 0.168 0.000 2.537 56 S HA 0.151 4.621 4.470 0.000 0.000 0.275 56 S C 0.753 175.389 174.600 0.060 0.000 1.272 56 S CA -0.560 57.684 58.200 0.074 0.000 1.050 56 S CB 1.367 64.581 63.200 0.023 0.000 0.961 56 S HN 0.820 nan 8.310 nan 0.000 0.496 57 Q N 2.163 121.990 119.800 0.046 0.000 2.030 57 Q HA -0.142 4.198 4.340 0.000 0.000 0.204 57 Q C 2.223 178.215 176.000 -0.013 0.000 0.986 57 Q CA 2.240 58.060 55.803 0.029 0.000 0.843 57 Q CB -0.814 27.954 28.738 0.051 0.000 0.904 57 Q HN 1.009 nan 8.270 nan 0.000 0.420 58 T N -0.379 114.163 114.554 -0.020 0.000 2.822 58 T HA -0.219 4.131 4.350 0.000 0.000 0.270 58 T C 1.437 176.056 174.700 -0.136 0.000 1.064 58 T CA 1.755 63.812 62.100 -0.071 0.000 1.131 58 T CB -0.011 68.806 68.868 -0.084 0.000 0.858 58 T HN 0.204 nan 8.240 nan 0.000 0.483 59 E N 0.406 120.549 120.200 -0.095 0.000 2.023 59 E HA -0.066 4.284 4.350 0.000 0.000 0.196 59 E C 2.195 178.733 176.600 -0.104 0.000 1.003 59 E CA 1.665 58.010 56.400 -0.092 0.000 0.809 59 E CB -0.354 29.337 29.700 -0.015 0.000 0.755 59 E HN 0.449 nan 8.360 nan 0.000 0.449 60 M N 0.053 119.586 119.600 -0.111 0.000 2.144 60 M HA -0.158 4.322 4.480 0.000 0.000 0.260 60 M C 2.072 178.307 176.300 -0.108 0.000 1.067 60 M CA 1.227 56.441 55.300 -0.143 0.000 1.095 60 M CB -0.476 32.032 32.600 -0.154 0.000 1.365 60 M HN 0.152 nan 8.290 nan 0.000 0.406 61 L N -0.506 120.660 121.223 -0.095 0.000 1.955 61 L HA -0.245 4.095 4.340 0.000 0.000 0.213 61 L C 2.233 179.058 176.870 -0.076 0.000 1.072 61 L CA 1.643 56.427 54.840 -0.093 0.000 0.755 61 L CB -0.382 41.650 42.059 -0.046 0.000 0.888 61 L HN 0.140 nan 8.230 nan 0.000 0.432 62 V N 0.339 120.210 119.914 -0.073 0.000 2.287 62 V HA -0.331 3.790 4.120 0.000 0.000 0.248 62 V C 2.320 178.421 176.094 0.011 0.000 1.053 62 V CA 2.131 64.419 62.300 -0.019 0.000 1.027 62 V CB -1.083 30.658 31.823 -0.137 0.000 0.646 62 V HN 0.520 nan 8.190 nan 0.000 0.447 63 N N 1.155 119.836 118.700 -0.032 0.000 2.036 63 N HA -0.179 4.561 4.740 0.000 0.000 0.195 63 N C 1.995 177.511 175.510 0.010 0.000 1.037 63 N CA 2.051 55.089 53.050 -0.020 0.000 0.855 63 N CB -0.790 37.657 38.487 -0.068 0.000 1.033 63 N HN 0.562 nan 8.380 nan 0.000 0.423 64 G N 1.434 110.227 108.800 -0.013 0.000 2.475 64 G HA2 -0.188 3.772 3.960 0.000 0.000 0.220 64 G HA3 -0.188 3.772 3.960 0.000 0.000 0.220 64 G C 1.671 176.643 174.900 0.120 0.000 1.125 64 G CA 0.435 45.553 45.100 0.031 0.000 0.755 64 G HN 0.243 nan 8.290 nan 0.000 0.565 65 L N -0.698 120.566 121.223 0.068 0.000 2.341 65 L HA 0.120 4.460 4.340 0.000 0.000 0.214 65 L C 2.697 179.769 176.870 0.337 0.000 1.115 65 L CA 0.479 55.380 54.840 0.102 0.000 0.820 65 L CB -0.137 41.807 42.059 -0.193 0.000 0.944 65 L HN 0.095 nan 8.230 nan 0.000 0.452 66 K N 1.112 121.657 120.400 0.243 0.000 2.077 66 K HA -0.193 4.127 4.320 0.000 0.000 0.213 66 K C -0.638 176.086 176.600 0.207 0.000 1.051 66 K CA 1.926 58.343 56.287 0.218 0.000 0.929 66 K CB -1.313 31.259 32.500 0.121 0.000 0.715 66 K HN 0.110 nan 8.250 nan 0.000 0.451 67 P HA -0.148 nan 4.420 nan 0.000 0.217 67 P C 0.370 177.685 177.300 0.025 0.000 1.148 67 P CA 1.290 64.407 63.100 0.028 0.000 0.828 67 P CB -0.062 31.579 31.700 -0.099 0.000 0.783 68 Y N -2.172 118.248 120.300 0.199 0.000 2.462 68 Y HA 0.092 4.642 4.550 0.000 0.000 0.293 68 Y C 2.216 178.300 175.900 0.307 0.000 1.195 68 Y CA 0.668 58.915 58.100 0.245 0.000 1.276 68 Y CB -0.623 38.035 38.460 0.330 0.000 1.082 68 Y HN -0.073 nan 8.280 nan 0.000 0.514 69 T N -0.322 114.435 114.554 0.339 0.000 3.044 69 T HA 0.034 4.384 4.350 0.000 0.000 0.255 69 T C 0.360 175.121 174.700 0.101 0.000 1.073 69 T CA 0.411 62.651 62.100 0.233 0.000 1.125 69 T CB 0.148 69.147 68.868 0.218 0.000 0.908 69 T HN 0.533 nan 8.240 nan 0.000 0.480 70 E N 0.839 121.086 120.200 0.078 0.000 2.430 70 E HA 0.478 4.828 4.350 0.000 0.000 0.279 70 E C -3.168 173.439 176.600 0.011 0.000 1.003 70 E CA -2.349 54.072 56.400 0.035 0.000 0.801 70 E CB 1.383 31.096 29.700 0.020 0.000 1.313 70 E HN -0.057 nan 8.360 nan 0.000 0.459 71 P HA 0.078 nan 4.420 nan 0.000 0.276 71 P C -0.335 176.948 177.300 -0.029 0.000 1.244 71 P CA -0.218 62.870 63.100 -0.019 0.000 0.801 71 P CB 1.255 32.947 31.700 -0.012 0.000 1.006 72 T N 0.042 114.569 114.554 -0.045 0.000 2.847 72 T HA 0.382 4.732 4.350 0.000 0.000 0.279 72 T C 1.614 176.302 174.700 -0.020 0.000 0.984 72 T CA 0.156 62.227 62.100 -0.048 0.000 0.988 72 T CB 0.337 69.153 68.868 -0.086 0.000 1.040 72 T HN 0.365 nan 8.240 nan 0.000 0.528 73 A N 1.648 124.465 122.820 -0.004 0.000 1.933 73 A HA 0.399 4.719 4.320 0.000 0.000 0.218 73 A C 1.538 179.137 177.584 0.026 0.000 1.175 73 A CA 1.609 53.657 52.037 0.019 0.000 0.628 73 A CB -1.587 17.438 19.000 0.041 0.000 0.814 73 A HN 1.806 nan 8.150 nan 0.000 0.444 74 G N -2.445 106.380 108.800 0.041 0.000 2.553 74 G HA2 -0.048 3.912 3.960 0.000 0.000 0.242 74 G HA3 -0.048 3.912 3.960 0.000 0.000 0.242 74 G C -0.358 174.503 174.900 -0.066 0.000 1.277 74 G CA -0.219 44.894 45.100 0.021 0.000 0.910 74 G HN 1.154 nan 8.290 nan 0.000 0.576 75 V N 2.140 121.956 119.914 -0.164 0.000 2.525 75 V HA 0.538 4.658 4.120 0.000 0.000 0.299 75 V C -1.922 174.083 176.094 -0.149 0.000 1.034 75 V CA -0.919 61.197 62.300 -0.307 0.000 0.863 75 V CB 1.926 33.460 31.823 -0.481 0.000 0.999 75 V HN 0.735 nan 8.190 nan 0.000 0.423 76 P HA 0.097 nan 4.420 nan 0.000 0.264 76 P C -2.072 175.196 177.300 -0.052 0.000 1.179 76 P CA -0.761 62.313 63.100 -0.042 0.000 0.763 76 P CB 0.158 31.851 31.700 -0.012 0.000 0.806 77 P HA -0.137 nan 4.420 nan 0.000 0.218 77 P C 1.437 178.715 177.300 -0.036 0.000 1.149 77 P CA 1.379 64.454 63.100 -0.042 0.000 0.817 77 P CB 0.033 31.715 31.700 -0.030 0.000 0.785 78 Q N -0.828 118.957 119.800 -0.024 0.000 2.084 78 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 78 Q C 2.144 178.133 176.000 -0.018 0.000 0.978 78 Q CA 1.054 56.847 55.803 -0.016 0.000 0.844 78 Q CB -0.681 28.053 28.738 -0.006 0.000 0.898 78 Q HN 0.208 nan 8.270 nan 0.000 0.426 79 L N 0.297 121.504 121.223 -0.027 0.000 2.056 79 L HA -0.162 4.178 4.340 0.000 0.000 0.207 79 L C 2.250 179.085 176.870 -0.058 0.000 1.078 79 L CA 0.839 55.658 54.840 -0.034 0.000 0.749 79 L CB -0.272 41.766 42.059 -0.035 0.000 0.901 79 L HN 0.346 nan 8.230 nan 0.000 0.433 80 L N -0.482 120.690 121.223 -0.085 0.000 2.043 80 L HA -0.262 4.078 4.340 0.000 0.000 0.212 80 L C 2.706 179.540 176.870 -0.060 0.000 1.075 80 L CA 2.219 56.997 54.840 -0.104 0.000 0.752 80 L CB -0.707 41.282 42.059 -0.118 0.000 0.891 80 L HN 0.198 nan 8.230 nan 0.000 0.432 81 S N -0.885 114.792 115.700 -0.038 0.000 2.368 81 S HA -0.177 4.293 4.470 0.000 0.000 0.225 81 S C 2.118 176.725 174.600 0.010 0.000 1.030 81 S CA 1.175 59.365 58.200 -0.017 0.000 0.999 81 S CB -0.220 62.970 63.200 -0.015 0.000 0.844 81 S HN 0.537 nan 8.310 nan 0.000 0.459 82 R N 0.878 121.390 120.500 0.021 0.000 2.081 82 R HA -0.023 4.317 4.340 0.000 0.000 0.235 82 R C 2.634 179.015 176.300 0.135 0.000 1.131 82 R CA 1.293 57.436 56.100 0.071 0.000 0.960 82 R CB -0.821 29.518 30.300 0.066 0.000 0.856 82 R HN 0.487 nan 8.270 nan 0.000 0.436 83 A N 1.171 124.026 122.820 0.058 0.000 1.908 83 A HA -0.138 4.182 4.320 0.000 0.000 0.218 83 A C 2.461 180.123 177.584 0.131 0.000 1.181 83 A CA 1.627 53.700 52.037 0.060 0.000 0.627 83 A CB -0.668 18.317 19.000 -0.025 0.000 0.818 83 A HN 0.122 nan 8.150 nan 0.000 0.445 84 V N 0.716 120.671 119.914 0.068 0.000 2.407 84 V HA -0.263 3.857 4.120 0.000 0.000 0.248 84 V C 3.030 179.182 176.094 0.096 0.000 1.055 84 V CA 2.497 64.835 62.300 0.063 0.000 1.049 84 V CB -1.441 30.387 31.823 0.008 0.000 0.662 84 V HN 0.884 nan 8.190 nan 0.000 0.455 85 T N -2.207 112.397 114.554 0.084 0.000 2.833 85 T HA -0.279 4.071 4.350 0.000 0.000 0.269 85 T C 1.688 176.424 174.700 0.060 0.000 1.054 85 T CA 1.964 64.089 62.100 0.042 0.000 1.135 85 T CB -0.553 68.302 68.868 -0.021 0.000 0.869 85 T HN 0.587 nan 8.240 nan 0.000 0.466 86 H N 0.741 119.886 119.070 0.125 0.000 2.321 86 H HA 0.101 4.657 4.556 0.000 0.000 0.300 86 H C 2.476 178.041 175.328 0.395 0.000 1.087 86 H CA 1.691 57.871 56.048 0.221 0.000 1.319 86 H CB -0.533 29.295 29.762 0.110 0.000 1.379 86 H HN 0.221 nan 8.280 nan 0.000 0.501 87 V N 0.577 120.767 119.914 0.461 0.000 2.407 87 V HA -0.224 3.897 4.120 0.000 0.000 0.248 87 V C 2.502 178.705 176.094 0.183 0.000 1.055 87 V CA 1.887 64.334 62.300 0.245 0.000 1.049 87 V CB -0.395 31.503 31.823 0.125 0.000 0.662 87 V HN 0.358 nan 8.190 nan 0.000 0.455 88 R N 0.751 121.358 120.500 0.179 0.000 2.057 88 R HA -0.138 4.203 4.340 0.000 0.000 0.229 88 R C 2.697 179.111 176.300 0.188 0.000 1.136 88 R CA 1.865 58.068 56.100 0.171 0.000 0.952 88 R CB -0.388 29.961 30.300 0.082 0.000 0.848 88 R HN 0.666 nan 8.270 nan 0.000 0.430 89 S N -0.272 115.515 115.700 0.146 0.000 2.368 89 S HA -0.222 4.248 4.470 0.000 0.000 0.225 89 S C 2.000 176.694 174.600 0.157 0.000 1.030 89 S CA 1.191 59.461 58.200 0.118 0.000 0.999 89 S CB -0.941 62.295 63.200 0.060 0.000 0.844 89 S HN 0.519 nan 8.310 nan 0.000 0.459 90 Y N 3.066 123.445 120.300 0.132 0.000 2.128 90 Y HA -0.132 4.418 4.550 0.000 0.000 0.284 90 Y C 2.212 178.147 175.900 0.059 0.000 1.154 90 Y CA 1.836 60.012 58.100 0.126 0.000 1.149 90 Y CB -0.454 38.128 38.460 0.204 0.000 0.976 90 Y HN 0.438 nan 8.280 nan 0.000 0.505 91 I N -1.340 119.294 120.570 0.106 0.000 2.500 91 I HA -0.109 4.061 4.170 0.000 0.000 0.252 91 I C 2.035 178.138 176.117 -0.024 0.000 1.142 91 I CA 1.426 62.695 61.300 -0.052 0.000 1.451 91 I CB -0.560 37.371 38.000 -0.115 0.000 1.093 91 I HN 0.173 nan 8.210 nan 0.000 0.430 92 E N 0.922 121.261 120.200 0.231 0.000 2.136 92 E HA -0.309 4.041 4.350 0.000 0.000 0.202 92 E C 2.148 178.787 176.600 0.064 0.000 1.019 92 E CA 2.435 59.002 56.400 0.278 0.000 0.819 92 E CB -0.233 29.573 29.700 0.176 0.000 0.739 92 E HN 0.790 nan 8.360 nan 0.000 0.458 93 T N -0.745 113.767 114.554 -0.070 0.000 3.067 93 T HA -0.049 4.301 4.350 0.000 0.000 0.261 93 T C 1.766 176.369 174.700 -0.161 0.000 1.110 93 T CA 0.742 62.769 62.100 -0.121 0.000 1.113 93 T CB 0.042 68.818 68.868 -0.155 0.000 0.917 93 T HN 0.200 nan 8.240 nan 0.000 0.499 94 I N 1.029 121.468 120.570 -0.217 0.000 3.790 94 I HA 0.351 4.521 4.170 0.000 0.000 0.305 94 I C 1.517 177.569 176.117 -0.108 0.000 1.253 94 I CA 0.116 61.315 61.300 -0.169 0.000 1.355 94 I CB -0.754 37.129 38.000 -0.195 0.000 1.137 94 I HN 0.498 nan 8.210 nan 0.000 0.435 95 I N -0.347 120.152 120.570 -0.118 0.000 3.904 95 I HA 0.645 4.815 4.170 0.000 0.000 0.333 95 I C 0.860 176.989 176.117 0.020 0.000 1.361 95 I CA 0.086 61.331 61.300 -0.090 0.000 1.116 95 I CB -0.384 37.491 38.000 -0.208 0.000 1.028 95 I HN 0.259 nan 8.210 nan 0.000 0.398 96 G N 2.019 110.853 108.800 0.057 0.000 2.846 96 G HA2 -0.273 3.687 3.960 0.000 0.000 0.660 96 G HA3 -0.273 3.687 3.960 0.000 0.000 0.660 96 G C 0.365 175.409 174.900 0.239 0.000 1.464 96 G CA -0.007 45.163 45.100 0.117 0.000 0.891 96 G HN 0.587 nan 8.290 nan 0.000 0.552 97 T N -2.462 112.198 114.554 0.176 0.000 3.107 97 T HA 0.255 4.605 4.350 0.000 0.000 0.249 97 T C 0.922 175.697 174.700 0.124 0.000 1.096 97 T CA 1.011 63.187 62.100 0.126 0.000 1.012 97 T CB -0.001 68.890 68.868 0.038 0.000 0.977 97 T HN 1.147 nan 8.240 nan 0.000 0.527 98 H N 2.221 121.356 119.070 0.109 0.000 3.001 98 H HA 0.280 4.836 4.556 0.000 0.000 0.334 98 H C 0.119 175.516 175.328 0.115 0.000 1.034 98 H CA 0.190 56.291 56.048 0.088 0.000 1.420 98 H CB 0.427 30.234 29.762 0.076 0.000 1.405 98 H HN 0.192 nan 8.280 nan 0.000 0.593 99 R N 3.620 123.701 120.500 -0.698 0.000 2.229 99 R HA 0.252 4.592 4.340 0.000 0.000 0.332 99 R C -0.441 175.493 176.300 -0.610 0.000 0.989 99 R CA -0.618 55.202 56.100 -0.466 0.000 0.842 99 R CB 1.216 31.362 30.300 -0.257 0.000 1.119 99 R HN 0.565 nan 8.270 nan 0.000 0.456 100 S N 5.436 121.034 115.700 -0.170 0.000 2.505 100 S HA 0.182 4.652 4.470 0.000 0.000 0.276 100 S C -1.978 172.630 174.600 0.014 0.000 1.274 100 S CA -1.077 57.138 58.200 0.025 0.000 1.053 100 S CB 0.753 64.022 63.200 0.116 0.000 0.919 100 S HN 0.437 nan 8.310 nan 0.000 0.490 101 P HA 0.045 nan 4.420 nan 0.000 0.268 101 P C 0.177 177.484 177.300 0.012 0.000 1.204 101 P CA -0.168 62.953 63.100 0.035 0.000 0.768 101 P CB 0.486 32.226 31.700 0.066 0.000 0.842 102 V N 4.278 124.166 119.914 -0.042 0.000 3.287 102 V HA -0.037 4.083 4.120 0.000 0.000 0.306 102 V C 1.009 177.087 176.094 -0.028 0.000 1.103 102 V CA 0.032 62.275 62.300 -0.096 0.000 1.159 102 V CB 0.140 31.787 31.823 -0.294 0.000 1.036 102 V HN 0.327 nan 8.190 nan 0.000 0.487 103 L N 3.057 124.294 121.223 0.022 0.000 2.439 103 L HA 0.300 4.640 4.340 0.000 0.000 0.261 103 L C 0.667 177.636 176.870 0.165 0.000 1.153 103 L CA -0.247 54.643 54.840 0.083 0.000 0.808 103 L CB 0.954 43.061 42.059 0.080 0.000 1.126 103 L HN 0.583 nan 8.230 nan 0.000 0.460 104 T N -0.023 114.604 114.554 0.121 0.000 2.926 104 T HA -0.037 4.313 4.350 0.000 0.000 0.307 104 T C 0.739 175.414 174.700 -0.041 0.000 1.059 104 T CA 0.178 62.357 62.100 0.131 0.000 1.122 104 T CB 0.446 69.373 68.868 0.099 0.000 0.972 104 T HN 0.488 nan 8.240 nan 0.000 0.545 105 Y N 2.806 122.881 120.300 -0.374 0.000 2.069 105 Y HA -0.313 4.237 4.550 0.000 0.000 0.278 105 Y C 2.541 178.183 175.900 -0.430 0.000 1.175 105 Y CA 2.550 60.028 58.100 -1.036 0.000 1.134 105 Y CB -0.490 37.167 38.460 -1.338 0.000 0.965 105 Y HN 0.921 nan 8.280 nan 0.000 0.498 106 H N 0.002 118.908 119.070 -0.272 0.000 2.387 106 H HA -0.148 4.409 4.556 0.000 0.000 0.299 106 H C 2.119 177.353 175.328 -0.157 0.000 1.099 106 H CA 2.343 58.274 56.048 -0.194 0.000 1.315 106 H CB -0.191 29.556 29.762 -0.025 0.000 1.380 106 H HN 0.538 nan 8.280 nan 0.000 0.513 107 Q N -0.467 119.229 119.800 -0.173 0.000 2.016 107 Q HA -0.107 4.233 4.340 0.000 0.000 0.200 107 Q C 2.600 178.488 176.000 -0.186 0.000 0.978 107 Q CA 1.196 56.901 55.803 -0.164 0.000 0.833 107 Q CB -0.215 28.502 28.738 -0.036 0.000 0.895 107 Q HN 0.599 nan 8.270 nan 0.000 0.427 108 A N 0.481 123.193 122.820 -0.180 0.000 1.908 108 A HA -0.229 4.091 4.320 0.000 0.000 0.218 108 A C 2.389 179.860 177.584 -0.188 0.000 1.181 108 A CA 1.443 53.398 52.037 -0.137 0.000 0.627 108 A CB -1.141 17.805 19.000 -0.090 0.000 0.818 108 A HN 0.505 nan 8.150 nan 0.000 0.445 109 C N 0.249 119.365 119.300 -0.307 0.000 2.398 109 C HA -0.155 4.305 4.460 0.000 0.000 0.276 109 C C 2.631 177.596 174.990 -0.042 0.000 1.222 109 C CA 1.394 60.320 59.018 -0.154 0.000 1.746 109 C CB -1.293 26.332 27.740 -0.192 0.000 2.039 109 C HN 0.845 nan 8.230 nan 0.000 0.470 110 E N 0.193 120.274 120.200 -0.199 0.000 2.516 110 E HA -0.054 4.296 4.350 0.000 0.000 0.199 110 E C 1.452 177.915 176.600 -0.229 0.000 1.069 110 E CA 0.701 56.951 56.400 -0.250 0.000 0.876 110 E CB -0.254 29.315 29.700 -0.219 0.000 0.843 110 E HN 0.634 nan 8.360 nan 0.000 0.530 111 L N 0.845 121.972 121.223 -0.160 0.000 2.640 111 L HA 0.259 4.599 4.340 0.000 0.000 0.230 111 L C 0.641 177.443 176.870 -0.113 0.000 1.123 111 L CA -0.288 54.480 54.840 -0.120 0.000 0.900 111 L CB 0.319 42.335 42.059 -0.072 0.000 1.146 111 L HN 0.172 nan 8.230 nan 0.000 0.484 112 L N 0.727 121.888 121.223 -0.103 0.000 2.426 112 L HA 0.083 4.423 4.340 0.000 0.000 0.271 112 L C 0.702 177.514 176.870 -0.096 0.000 1.169 112 L CA -0.158 54.635 54.840 -0.079 0.000 0.836 112 L CB 0.465 42.504 42.059 -0.033 0.000 1.112 112 L HN -0.028 nan 8.230 nan 0.000 0.465 113 E N 2.963 123.113 120.200 -0.083 0.000 2.166 113 E HA 0.052 4.402 4.350 0.000 0.000 0.279 113 E C 0.634 177.200 176.600 -0.056 0.000 1.095 113 E CA 0.189 56.540 56.400 -0.081 0.000 0.888 113 E CB 0.795 30.457 29.700 -0.064 0.000 1.041 113 E HN 0.351 nan 8.360 nan 0.000 0.414 114 R N 1.671 122.117 120.500 -0.090 0.000 2.316 114 R HA -0.006 4.334 4.340 0.000 0.000 0.202 114 R C 1.154 177.450 176.300 -0.007 0.000 1.029 114 R CA 0.692 56.760 56.100 -0.053 0.000 1.018 114 R CB 0.361 30.549 30.300 -0.186 0.000 0.888 114 R HN 0.217 nan 8.270 nan 0.000 0.471 115 T N -0.449 114.092 114.554 -0.021 0.000 3.186 115 T HA 0.084 4.435 4.350 0.000 0.000 0.257 115 T C -0.433 174.270 174.700 0.005 0.000 1.029 115 T CA 0.405 62.500 62.100 -0.008 0.000 0.916 115 T CB 0.323 69.178 68.868 -0.022 0.000 1.041 115 T HN 0.003 nan 8.240 nan 0.000 0.562 116 T N 0.921 115.482 114.554 0.011 0.000 2.993 116 T HA 0.451 4.801 4.350 0.000 0.000 0.312 116 T C -0.444 174.264 174.700 0.012 0.000 1.115 116 T CA -0.622 61.483 62.100 0.009 0.000 1.027 116 T CB 1.433 70.300 68.868 -0.002 0.000 1.116 116 T HN 0.198 nan 8.240 nan 0.000 0.464 117 S N 2.320 118.026 115.700 0.010 0.000 2.563 117 S HA 0.025 4.495 4.470 0.000 0.000 0.284 117 S C 1.632 176.218 174.600 -0.023 0.000 1.331 117 S CA -0.202 58.000 58.200 0.003 0.000 1.047 117 S CB -0.144 63.050 63.200 -0.009 0.000 0.859 117 S HN 0.865 nan 8.310 nan 0.000 0.514 118 C N 3.672 122.954 119.300 -0.030 0.000 2.485 118 C HA 0.418 4.878 4.460 0.000 0.000 0.283 118 C C 1.811 176.725 174.990 -0.128 0.000 1.478 118 C CA 0.258 59.225 59.018 -0.085 0.000 1.741 118 C CB -2.327 25.340 27.740 -0.121 0.000 1.675 118 C HN 1.395 nan 8.230 nan 0.000 0.573 119 G N 1.204 109.920 108.800 -0.139 0.000 2.660 119 G HA2 -0.148 3.812 3.960 0.000 0.000 0.215 119 G HA3 -0.148 3.812 3.960 0.000 0.000 0.215 119 G C -1.965 172.724 174.900 -0.351 0.000 1.345 119 G CA 0.003 44.965 45.100 -0.230 0.000 0.877 119 G HN 0.060 nan 8.290 nan 0.000 0.549 120 P HA 0.196 nan 4.420 nan 0.000 0.241 120 P C 1.134 177.975 177.300 -0.766 0.000 1.191 120 P CA 0.950 63.590 63.100 -0.766 0.000 0.771 120 P CB -0.104 30.873 31.700 -1.205 0.000 0.929 121 F N -0.888 118.854 119.950 -0.347 0.000 2.731 121 F HA 0.172 4.699 4.527 0.000 0.000 0.298 121 F C 0.866 176.459 175.800 -0.344 0.000 1.106 121 F CA -0.144 57.638 58.000 -0.363 0.000 1.329 121 F CB 0.550 39.268 39.000 -0.469 0.000 1.100 121 F HN -0.365 nan 8.300 nan 0.000 0.592 122 V N 1.206 121.011 119.914 -0.182 0.000 2.569 122 V HA 0.241 4.361 4.120 0.000 0.000 0.301 122 V C -0.451 175.595 176.094 -0.081 0.000 1.044 122 V CA -1.078 61.127 62.300 -0.159 0.000 0.874 122 V CB 1.703 33.354 31.823 -0.287 0.000 1.002 122 V HN 0.105 nan 8.190 nan 0.000 0.424 123 Q N 4.249 124.052 119.800 0.005 0.000 2.396 123 Q HA 0.728 5.068 4.340 0.000 0.000 0.221 123 Q C 0.421 176.505 176.000 0.141 0.000 1.025 123 Q CA 0.984 56.813 55.803 0.044 0.000 0.946 123 Q CB 1.088 29.851 28.738 0.043 0.000 1.224 123 Q HN 1.733 nan 8.270 nan 0.000 0.539 124 G N -0.483 108.385 108.800 0.112 0.000 2.757 124 G HA2 -0.145 3.815 3.960 0.000 0.000 0.638 124 G HA3 -0.145 3.815 3.960 0.000 0.000 0.638 124 G C -0.931 174.068 174.900 0.166 0.000 1.344 124 G CA -0.401 44.789 45.100 0.151 0.000 0.855 124 G HN 0.725 nan 8.290 nan 0.000 0.537 125 L N -0.246 121.077 121.223 0.166 0.000 2.431 125 L HA 0.481 4.821 4.340 0.000 0.000 0.260 125 L C 1.944 178.966 176.870 0.252 0.000 1.098 125 L CA -0.789 54.137 54.840 0.143 0.000 0.800 125 L CB 0.960 43.073 42.059 0.090 0.000 1.210 125 L HN 0.785 nan 8.230 nan 0.000 0.465 126 K N 0.969 121.480 120.400 0.185 0.000 2.057 126 K HA -0.097 4.224 4.320 0.000 0.000 0.207 126 K C 1.866 178.753 176.600 0.478 0.000 1.049 126 K CA 1.464 57.908 56.287 0.263 0.000 0.931 126 K CB -0.421 32.153 32.500 0.123 0.000 0.714 126 K HN 0.900 nan 8.250 nan 0.000 0.440 127 G N 1.572 110.538 108.800 0.277 0.000 2.499 127 G HA2 -0.263 3.697 3.960 0.000 0.000 0.221 127 G HA3 -0.263 3.697 3.960 0.000 0.000 0.221 127 G C 0.835 175.866 174.900 0.217 0.000 1.109 127 G CA 1.077 46.304 45.100 0.211 0.000 0.749 127 G HN 0.241 nan 8.290 nan 0.000 0.568 128 D N -0.417 120.086 120.400 0.171 0.000 2.263 128 D HA -0.056 4.584 4.640 0.000 0.000 0.208 128 D C 0.922 177.090 176.300 -0.219 0.000 0.971 128 D CA 0.836 54.775 54.000 -0.101 0.000 0.867 128 D CB -0.070 40.533 40.800 -0.328 0.000 0.929 128 D HN 0.557 nan 8.370 nan 0.000 0.492 129 Y N -1.629 118.831 120.300 0.266 0.000 2.612 129 Y HA 0.154 4.704 4.550 0.000 0.000 0.250 129 Y C 0.409 176.533 175.900 0.373 0.000 1.175 129 Y CA -0.993 57.283 58.100 0.292 0.000 1.205 129 Y CB 0.061 38.706 38.460 0.308 0.000 1.201 129 Y HN -0.029 nan 8.280 nan 0.000 0.532 130 W N 3.523 124.925 121.300 0.170 0.000 2.335 130 W HA 0.220 4.880 4.660 0.000 0.000 0.306 130 W C -0.726 175.746 176.519 -0.077 0.000 1.216 130 W CA -0.249 57.014 57.345 -0.138 0.000 1.237 130 W CB 0.752 30.041 29.460 -0.285 0.000 1.243 130 W HN 0.006 nan 8.180 nan 0.000 0.493 131 D N 4.866 124.957 120.400 -0.515 0.000 2.316 131 D HA -0.058 4.582 4.640 0.000 0.000 0.245 131 D C 0.901 176.765 176.300 -0.727 0.000 1.171 131 D CA 0.222 53.951 54.000 -0.451 0.000 0.856 131 D CB 1.461 42.081 40.800 -0.300 0.000 1.090 131 D HN 0.419 nan 8.370 nan 0.000 0.476 132 E N 3.457 123.428 120.200 -0.382 0.000 2.072 132 E HA -0.173 4.177 4.350 0.000 0.000 0.190 132 E C 1.474 177.961 176.600 -0.188 0.000 0.982 132 E CA 1.067 57.331 56.400 -0.227 0.000 0.803 132 E CB -0.043 29.657 29.700 0.001 0.000 0.755 132 E HN 0.714 nan 8.360 nan 0.000 0.453 133 E N 0.068 120.173 120.200 -0.158 0.000 2.077 133 E HA -0.218 4.132 4.350 0.000 0.000 0.193 133 E C 1.897 178.403 176.600 -0.157 0.000 0.989 133 E CA 1.160 57.489 56.400 -0.119 0.000 0.800 133 E CB -0.016 29.630 29.700 -0.090 0.000 0.746 133 E HN 0.361 nan 8.360 nan 0.000 0.452 134 Q N -0.277 119.387 119.800 -0.227 0.000 2.311 134 Q HA -0.041 4.299 4.340 0.000 0.000 0.203 134 Q C 0.058 175.876 176.000 -0.304 0.000 0.954 134 Q CA 0.429 56.090 55.803 -0.236 0.000 0.885 134 Q CB 0.252 28.850 28.738 -0.233 0.000 0.963 134 Q HN 0.278 nan 8.270 nan 0.000 0.471 135 Q N 0.570 120.097 119.800 -0.455 0.000 2.470 135 Q HA -0.228 4.113 4.340 0.000 0.000 0.294 135 Q C -0.858 174.698 176.000 -0.739 0.000 1.356 135 Q CA 0.724 56.213 55.803 -0.523 0.000 0.805 135 Q CB -1.708 26.989 28.738 -0.068 0.000 1.157 135 Q HN 0.529 nan 8.270 nan 0.000 0.431 136 Q N -2.506 116.579 119.800 -1.192 0.000 2.575 136 Q HA 0.586 4.927 4.340 0.000 0.000 0.290 136 Q C -1.292 174.312 176.000 -0.660 0.000 0.963 136 Q CA -1.143 54.220 55.803 -0.734 0.000 0.783 136 Q CB 0.771 29.413 28.738 -0.160 0.000 1.467 136 Q HN 0.115 nan 8.270 nan 0.000 0.402 137 Y N 0.241 120.550 120.300 0.016 0.000 2.326 137 Y HA 0.552 5.102 4.550 0.000 0.000 0.333 137 Y C 0.513 176.470 175.900 0.095 0.000 1.240 137 Y CA 0.536 58.738 58.100 0.170 0.000 1.365 137 Y CB 1.830 40.449 38.460 0.264 0.000 1.289 137 Y HN 0.689 nan 8.280 nan 0.000 0.548 138 T N 0.333 115.082 114.554 0.324 0.000 2.841 138 T HA 0.560 4.910 4.350 0.000 0.000 0.296 138 T C 0.074 174.931 174.700 0.262 0.000 1.166 138 T CA 0.104 62.322 62.100 0.198 0.000 1.007 138 T CB 1.089 70.015 68.868 0.097 0.000 1.253 138 T HN 1.102 nan 8.240 nan 0.000 0.511 139 G N 1.042 109.955 108.800 0.188 0.000 2.564 139 G HA2 -0.251 3.709 3.960 0.000 0.000 0.273 139 G HA3 -0.251 3.709 3.960 0.000 0.000 0.273 139 G C 1.113 176.119 174.900 0.176 0.000 1.242 139 G CA 0.291 45.514 45.100 0.206 0.000 0.951 139 G HN 0.931 nan 8.290 nan 0.000 0.564 140 V N 0.216 120.247 119.914 0.196 0.000 2.295 140 V HA -0.153 3.967 4.120 0.000 0.000 0.246 140 V C 2.931 178.994 176.094 -0.051 0.000 1.049 140 V CA 2.856 65.197 62.300 0.068 0.000 1.024 140 V CB -0.759 31.116 31.823 0.088 0.000 0.648 140 V HN 0.724 nan 8.190 nan 0.000 0.447 141 L N 0.647 121.695 121.223 -0.292 0.000 2.042 141 L HA -0.122 4.219 4.340 0.000 0.000 0.210 141 L C 2.442 179.288 176.870 -0.039 0.000 1.076 141 L CA 2.370 57.011 54.840 -0.332 0.000 0.749 141 L CB -0.832 40.809 42.059 -0.696 0.000 0.893 141 L HN 0.234 nan 8.230 nan 0.000 0.432 142 A N -0.329 122.534 122.820 0.072 0.000 1.883 142 A HA -0.251 4.069 4.320 0.000 0.000 0.217 142 A C 2.138 179.787 177.584 0.108 0.000 1.186 142 A CA 2.026 54.154 52.037 0.152 0.000 0.624 142 A CB -0.877 18.238 19.000 0.191 0.000 0.822 142 A HN 0.652 nan 8.150 nan 0.000 0.444 143 N N -1.129 117.622 118.700 0.084 0.000 2.120 143 N HA -0.204 4.537 4.740 0.000 0.000 0.188 143 N C 1.727 177.278 175.510 0.069 0.000 1.024 143 N CA 1.832 54.919 53.050 0.063 0.000 0.852 143 N CB -0.516 38.006 38.487 0.058 0.000 1.003 143 N HN 0.790 nan 8.380 nan 0.000 0.424 144 H N 1.287 120.347 119.070 -0.017 0.000 2.353 144 H HA 0.056 4.612 4.556 0.000 0.000 0.300 144 H C 2.169 177.507 175.328 0.018 0.000 1.090 144 H CA 1.327 57.360 56.048 -0.025 0.000 1.327 144 H CB -0.284 29.445 29.762 -0.056 0.000 1.383 144 H HN 0.088 nan 8.280 nan 0.000 0.508 145 L N -0.179 121.032 121.223 -0.020 0.000 2.027 145 L HA -0.111 4.229 4.340 0.000 0.000 0.206 145 L C 2.494 179.424 176.870 0.100 0.000 1.074 145 L CA 1.655 56.513 54.840 0.030 0.000 0.745 145 L CB -0.519 41.637 42.059 0.162 0.000 0.898 145 L HN 0.298 nan 8.230 nan 0.000 0.433 146 E N -0.149 120.081 120.200 0.050 0.000 2.130 146 E HA -0.261 4.089 4.350 0.000 0.000 0.196 146 E C 2.352 178.955 176.600 0.005 0.000 0.998 146 E CA 1.370 57.732 56.400 -0.064 0.000 0.806 146 E CB 0.011 29.647 29.700 -0.106 0.000 0.738 146 E HN 0.486 nan 8.360 nan 0.000 0.459 147 Q N -0.676 119.111 119.800 -0.023 0.000 2.137 147 Q HA -0.013 4.327 4.340 0.000 0.000 0.198 147 Q C 2.263 178.240 176.000 -0.039 0.000 0.960 147 Q CA 1.024 56.806 55.803 -0.034 0.000 0.847 147 Q CB 0.007 28.715 28.738 -0.049 0.000 0.915 147 Q HN 0.254 nan 8.270 nan 0.000 0.448 148 A N 1.196 123.967 122.820 -0.081 0.000 1.930 148 A HA -0.172 4.148 4.320 0.000 0.000 0.217 148 A C 1.746 179.354 177.584 0.039 0.000 1.175 148 A CA 0.751 52.745 52.037 -0.073 0.000 0.627 148 A CB -1.054 17.849 19.000 -0.161 0.000 0.815 148 A HN 0.623 nan 8.150 nan 0.000 0.443 149 W N 0.968 122.237 121.300 -0.051 0.000 2.338 149 W HA -0.183 4.477 4.660 0.000 0.000 0.304 149 W C 1.688 178.193 176.519 -0.023 0.000 1.212 149 W CA 2.087 59.435 57.345 0.006 0.000 1.264 149 W CB -0.277 29.211 29.460 0.047 0.000 1.142 149 W HN 0.490 nan 8.180 nan 0.000 0.512 150 D N 0.208 120.660 120.400 0.087 0.000 2.084 150 D HA -0.202 4.439 4.640 0.000 0.000 0.194 150 D C 2.030 178.285 176.300 -0.075 0.000 0.990 150 D CA 1.665 55.666 54.000 0.000 0.000 0.826 150 D CB -0.031 40.779 40.800 0.016 0.000 0.971 150 D HN 0.179 nan 8.370 nan 0.000 0.453 151 K N 0.324 120.682 120.400 -0.069 0.000 2.147 151 K HA -0.101 4.219 4.320 0.000 0.000 0.205 151 K C 2.088 178.619 176.600 -0.115 0.000 1.049 151 K CA 0.920 57.159 56.287 -0.080 0.000 0.936 151 K CB -0.026 32.434 32.500 -0.067 0.000 0.722 151 K HN 0.051 nan 8.250 nan 0.000 0.446 152 A N 1.690 124.409 122.820 -0.168 0.000 1.969 152 A HA -0.132 4.188 4.320 0.000 0.000 0.218 152 A C 1.767 179.206 177.584 -0.241 0.000 1.169 152 A CA 1.216 53.123 52.037 -0.217 0.000 0.635 152 A CB -0.306 18.515 19.000 -0.300 0.000 0.810 152 A HN 0.225 nan 8.150 nan 0.000 0.445 153 N N 0.180 118.709 118.700 -0.286 0.000 2.309 153 N HA -0.089 4.651 4.740 0.000 0.000 0.182 153 N C 1.080 176.504 175.510 -0.144 0.000 1.018 153 N CA 1.047 53.972 53.050 -0.208 0.000 0.876 153 N CB -0.169 38.212 38.487 -0.177 0.000 0.972 153 N HN 0.563 nan 8.380 nan 0.000 0.434 154 K N -0.035 120.294 120.400 -0.119 0.000 2.487 154 K HA 0.131 4.451 4.320 0.000 0.000 0.192 154 K C 0.812 177.360 176.600 -0.087 0.000 1.027 154 K CA 0.311 56.543 56.287 -0.091 0.000 1.054 154 K CB 0.312 32.770 32.500 -0.069 0.000 0.824 154 K HN 0.128 nan 8.250 nan 0.000 0.510 155 G N 1.891 110.631 108.800 -0.100 0.000 2.143 155 G HA2 -0.260 3.700 3.960 0.000 0.000 0.248 155 G HA3 -0.260 3.700 3.960 0.000 0.000 0.248 155 G C -0.076 174.787 174.900 -0.063 0.000 0.991 155 G CA -0.235 44.816 45.100 -0.081 0.000 0.689 155 G HN 0.219 nan 8.290 nan 0.000 0.522 156 I N 1.737 122.267 120.570 -0.067 0.000 2.312 156 I HA 0.601 4.771 4.170 0.000 0.000 0.291 156 I C 0.988 177.074 176.117 -0.050 0.000 1.031 156 I CA 0.119 61.389 61.300 -0.050 0.000 1.293 156 I CB 1.410 39.381 38.000 -0.049 0.000 1.403 156 I HN 0.366 nan 8.210 nan 0.000 0.484 157 A N 8.971 131.773 122.820 -0.029 0.000 2.386 157 A HA 0.591 4.911 4.320 0.000 0.000 0.248 157 A C -2.185 175.395 177.584 -0.007 0.000 1.082 157 A CA -0.877 51.151 52.037 -0.016 0.000 0.789 157 A CB -0.454 18.552 19.000 0.009 0.000 1.025 157 A HN 0.501 nan 8.150 nan 0.000 0.490 158 P HA 0.354 nan 4.420 nan 0.000 0.278 158 P C -0.826 176.513 177.300 0.065 0.000 1.266 158 P CA -0.580 62.533 63.100 0.021 0.000 0.807 158 P CB 0.615 32.331 31.700 0.028 0.000 1.094 159 R N 0.897 121.458 120.500 0.103 0.000 2.340 159 R HA 0.191 4.531 4.340 0.000 0.000 0.300 159 R C 0.546 176.959 176.300 0.188 0.000 1.069 159 R CA -0.324 55.879 56.100 0.171 0.000 0.984 159 R CB -0.165 30.282 30.300 0.244 0.000 1.003 159 R HN 0.365 nan 8.270 nan 0.000 0.459 160 N N 1.995 120.809 118.700 0.190 0.000 3.124 160 N HA 0.129 4.869 4.740 0.000 0.000 0.284 160 N C -1.422 174.236 175.510 0.247 0.000 1.209 160 N CA -0.107 53.053 53.050 0.184 0.000 1.149 160 N CB 0.378 39.008 38.487 0.238 0.000 1.434 160 N HN 0.626 nan 8.380 nan 0.000 0.529 161 A N 1.878 124.719 122.820 0.034 0.000 2.337 161 A HA 0.730 5.050 4.320 0.000 0.000 0.331 161 A C -1.363 176.012 177.584 -0.348 0.000 1.137 161 A CA -0.468 51.631 52.037 0.104 0.000 0.807 161 A CB 0.827 19.853 19.000 0.044 0.000 1.250 161 A HN 0.468 nan 8.150 nan 0.000 0.468 162 Y N -0.136 120.230 120.300 0.109 0.000 2.504 162 Y HA 0.446 4.996 4.550 0.000 0.000 0.344 162 Y C 0.059 175.944 175.900 -0.026 0.000 1.023 162 Y CA -0.704 57.445 58.100 0.082 0.000 1.020 162 Y CB 2.274 40.932 38.460 0.331 0.000 1.282 162 Y HN 0.690 nan 8.280 nan 0.000 0.454 163 K N 3.348 123.754 120.400 0.010 0.000 2.316 163 K HA 0.413 4.733 4.320 0.000 0.000 0.289 163 K C -1.050 175.532 176.600 -0.029 0.000 1.070 163 K CA -0.191 56.069 56.287 -0.044 0.000 0.928 163 K CB 0.335 32.778 32.500 -0.095 0.000 1.039 163 K HN 0.645 nan 8.250 nan 0.000 0.480 164 L N 3.700 124.862 121.223 -0.102 0.000 2.397 164 L HA 0.424 4.764 4.340 0.000 0.000 0.271 164 L C 0.138 176.892 176.870 -0.192 0.000 1.148 164 L CA -0.022 54.653 54.840 -0.277 0.000 0.825 164 L CB 1.273 43.090 42.059 -0.404 0.000 1.117 164 L HN 0.864 nan 8.230 nan 0.000 0.456 165 A N 3.643 126.328 122.820 -0.225 0.000 2.515 165 A HA 0.784 5.104 4.320 0.000 0.000 0.299 165 A C -1.577 175.922 177.584 -0.142 0.000 1.179 165 A CA -0.654 51.301 52.037 -0.135 0.000 0.656 165 A CB 1.044 20.005 19.000 -0.066 0.000 1.306 165 A HN 0.499 nan 8.150 nan 0.000 0.459 166 L N 0.798 121.977 121.223 -0.074 0.000 2.325 166 L HA 0.443 4.783 4.340 0.000 0.000 0.278 166 L C -0.074 176.789 176.870 -0.012 0.000 1.023 166 L CA -0.718 54.091 54.840 -0.051 0.000 0.811 166 L CB 1.805 43.846 42.059 -0.031 0.000 1.249 166 L HN 0.633 nan 8.230 nan 0.000 0.431 167 K N 1.547 121.948 120.400 0.002 0.000 2.383 167 K HA 0.074 4.394 4.320 0.000 0.000 0.286 167 K C -0.716 175.907 176.600 0.040 0.000 1.051 167 K CA -0.283 56.021 56.287 0.027 0.000 0.974 167 K CB 0.515 33.038 32.500 0.038 0.000 0.968 167 K HN 0.399 nan 8.250 nan 0.000 0.475 168 D N 4.649 125.085 120.400 0.059 0.000 2.365 168 D HA 0.030 4.670 4.640 0.000 0.000 0.237 168 D C -0.476 175.928 176.300 0.174 0.000 1.190 168 D CA -0.104 53.953 54.000 0.096 0.000 0.867 168 D CB 0.414 41.258 40.800 0.073 0.000 1.050 168 D HN 0.586 nan 8.370 nan 0.000 0.491 169 E N 2.220 122.479 120.200 0.098 0.000 2.449 169 E HA 0.340 4.690 4.350 0.000 0.000 0.278 169 E C -1.010 175.391 176.600 -0.332 0.000 1.059 169 E CA -1.012 55.397 56.400 0.016 0.000 0.854 169 E CB 0.468 30.182 29.700 0.024 0.000 1.465 169 E HN 0.223 nan 8.360 nan 0.000 0.462 170 L N 1.269 122.213 121.223 -0.466 0.000 2.305 170 L HA 0.519 4.859 4.340 0.000 0.000 0.281 170 L C 0.205 177.005 176.870 -0.117 0.000 1.085 170 L CA -0.703 53.872 54.840 -0.442 0.000 0.813 170 L CB 0.370 42.135 42.059 -0.490 0.000 1.157 170 L HN 0.354 nan 8.230 nan 0.000 0.436 171 R N 3.074 123.484 120.500 -0.150 0.000 2.867 171 R HA 0.573 4.914 4.340 0.000 0.000 0.268 171 R C -2.667 173.338 176.300 -0.491 0.000 1.014 171 R CA -2.320 53.662 56.100 -0.197 0.000 0.946 171 R CB 1.585 31.788 30.300 -0.161 0.000 1.208 171 R HN 0.261 nan 8.270 nan 0.000 0.477 172 P HA 0.190 nan 4.420 nan 0.000 0.275 172 P C 0.822 177.952 177.300 -0.284 0.000 1.228 172 P CA -0.227 62.458 63.100 -0.692 0.000 0.786 172 P CB 0.774 32.176 31.700 -0.495 0.000 0.927 173 I N 1.676 122.148 120.570 -0.165 0.000 2.118 173 I HA -0.339 3.832 4.170 0.000 0.000 0.241 173 I C 2.131 178.221 176.117 -0.045 0.000 1.070 173 I CA 1.989 63.263 61.300 -0.042 0.000 1.327 173 I CB -0.670 37.346 38.000 0.026 0.000 1.034 173 I HN 0.377 nan 8.210 nan 0.000 0.405 174 E N 0.772 120.938 120.200 -0.057 0.000 2.130 174 E HA -0.267 4.084 4.350 0.000 0.000 0.196 174 E C 2.024 178.570 176.600 -0.090 0.000 0.998 174 E CA 1.349 57.718 56.400 -0.053 0.000 0.806 174 E CB -0.317 29.357 29.700 -0.044 0.000 0.738 174 E HN 0.432 nan 8.360 nan 0.000 0.459 175 K N 0.177 120.506 120.400 -0.119 0.000 2.103 175 K HA 0.011 4.331 4.320 0.000 0.000 0.204 175 K C 1.782 178.264 176.600 -0.198 0.000 1.052 175 K CA 0.856 57.057 56.287 -0.143 0.000 0.945 175 K CB 0.009 32.428 32.500 -0.136 0.000 0.722 175 K HN 0.096 nan 8.250 nan 0.000 0.443 176 N N 1.261 119.844 118.700 -0.195 0.000 2.039 176 N HA -0.157 4.584 4.740 0.000 0.000 0.193 176 N C 1.484 176.662 175.510 -0.552 0.000 1.044 176 N CA 1.125 53.998 53.050 -0.294 0.000 0.847 176 N CB -0.154 38.280 38.487 -0.087 0.000 1.030 176 N HN 0.098 nan 8.380 nan 0.000 0.422 177 K N 1.421 121.608 120.400 -0.355 0.000 2.089 177 K HA -0.095 4.225 4.320 0.000 0.000 0.210 177 K C 1.889 178.384 176.600 -0.176 0.000 1.048 177 K CA 1.189 57.322 56.287 -0.258 0.000 0.926 177 K CB -0.542 31.957 32.500 -0.001 0.000 0.714 177 K HN 0.205 nan 8.250 nan 0.000 0.448 178 A N 0.478 123.193 122.820 -0.177 0.000 2.225 178 A HA 0.062 4.382 4.320 0.000 0.000 0.215 178 A C 1.513 178.916 177.584 -0.302 0.000 1.164 178 A CA 1.367 53.313 52.037 -0.151 0.000 0.710 178 A CB -0.619 18.301 19.000 -0.134 0.000 0.780 178 A HN 0.480 nan 8.150 nan 0.000 0.473 179 G N -0.765 107.691 108.800 -0.574 0.000 2.160 179 G HA2 -0.287 3.673 3.960 0.000 0.000 0.251 179 G HA3 -0.287 3.673 3.960 0.000 0.000 0.251 179 G C 0.114 174.612 174.900 -0.671 0.000 1.008 179 G CA 0.651 45.050 45.100 -1.168 0.000 0.724 179 G HN 0.640 nan 8.290 nan 0.000 0.514 180 K N -0.439 119.721 120.400 -0.400 0.000 2.185 180 K HA 0.696 5.016 4.320 0.000 0.000 0.271 180 K C 0.528 177.002 176.600 -0.209 0.000 1.013 180 K CA -0.367 55.770 56.287 -0.250 0.000 0.943 180 K CB 1.134 33.535 32.500 -0.165 0.000 0.998 180 K HN 0.326 nan 8.250 nan 0.000 0.468 181 R N 1.207 121.621 120.500 -0.143 0.000 2.663 181 R HA 0.245 4.585 4.340 0.000 0.000 0.267 181 R C -1.244 175.026 176.300 -0.050 0.000 1.038 181 R CA -0.777 55.268 56.100 -0.093 0.000 0.886 181 R CB 1.529 31.774 30.300 -0.092 0.000 1.249 181 R HN 0.556 nan 8.270 nan 0.000 0.463 182 R N 2.087 122.576 120.500 -0.018 0.000 2.459 182 R HA 0.387 4.727 4.340 0.000 0.000 0.281 182 R C -0.405 175.898 176.300 0.005 0.000 1.050 182 R CA -0.498 55.614 56.100 0.019 0.000 1.055 182 R CB 0.766 31.093 30.300 0.045 0.000 1.045 182 R HN 0.365 nan 8.270 nan 0.000 0.495 183 L N 3.105 124.346 121.223 0.029 0.000 2.349 183 L HA 0.341 4.681 4.340 0.000 0.000 0.275 183 L C -0.256 176.613 176.870 -0.002 0.000 1.115 183 L CA -0.279 54.521 54.840 -0.067 0.000 0.820 183 L CB 0.623 42.623 42.059 -0.098 0.000 1.135 183 L HN 0.380 nan 8.230 nan 0.000 0.445 184 L N 2.754 123.907 121.223 -0.117 0.000 2.319 184 L HA 0.373 4.713 4.340 0.000 0.000 0.281 184 L C -1.387 175.436 176.870 -0.079 0.000 1.005 184 L CA -0.288 54.551 54.840 -0.001 0.000 0.828 184 L CB 1.104 43.167 42.059 0.006 0.000 1.227 184 L HN 0.558 nan 8.230 nan 0.000 0.415 185 W N 4.337 125.615 121.300 -0.038 0.000 2.289 185 W HA 0.433 5.093 4.660 0.000 0.000 0.342 185 W C 0.847 177.489 176.519 0.204 0.000 0.958 185 W CA -0.761 56.583 57.345 -0.001 0.000 1.492 185 W CB 1.201 30.498 29.460 -0.272 0.000 1.336 185 W HN 0.553 nan 8.180 nan 0.000 0.371 186 G N 2.348 111.317 108.800 0.281 0.000 2.428 186 G HA2 0.184 4.144 3.960 0.000 0.000 0.293 186 G HA3 0.184 4.144 3.960 0.000 0.000 0.293 186 G C -0.027 174.964 174.900 0.152 0.000 1.059 186 G CA -0.381 44.827 45.100 0.180 0.000 1.194 186 G HN 0.600 nan 8.290 nan 0.000 0.435 187 C N 3.609 122.982 119.300 0.122 0.000 2.644 187 C HA 0.282 4.742 4.460 0.000 0.000 0.417 187 C C 0.892 175.730 174.990 -0.252 0.000 1.304 187 C CA -0.779 58.063 59.018 -0.294 0.000 2.035 187 C CB 0.270 27.869 27.740 -0.235 0.000 2.673 187 C HN 0.804 nan 8.230 nan 0.000 0.602 188 D N 3.111 123.306 120.400 -0.342 0.000 2.531 188 D HA 0.183 4.823 4.640 0.000 0.000 0.239 188 D C 0.980 177.252 176.300 -0.046 0.000 1.144 188 D CA 0.923 54.825 54.000 -0.163 0.000 0.869 188 D CB 1.005 41.783 40.800 -0.037 0.000 1.160 188 D HN 0.716 nan 8.370 nan 0.000 0.484 189 A N 4.087 126.901 122.820 -0.010 0.000 2.024 189 A HA -0.048 4.272 4.320 0.000 0.000 0.220 189 A C 2.127 179.724 177.584 0.021 0.000 1.164 189 A CA 1.973 53.996 52.037 -0.022 0.000 0.643 189 A CB -0.722 18.236 19.000 -0.070 0.000 0.806 189 A HN 0.705 nan 8.150 nan 0.000 0.451 190 A N -1.205 121.681 122.820 0.111 0.000 1.854 190 A HA -0.040 4.280 4.320 0.000 0.000 0.214 190 A C 2.305 179.926 177.584 0.063 0.000 1.192 190 A CA 2.126 54.195 52.037 0.053 0.000 0.611 190 A CB -1.270 17.701 19.000 -0.049 0.000 0.832 190 A HN 0.386 nan 8.150 nan 0.000 0.442 191 T N -0.057 114.533 114.554 0.059 0.000 2.720 191 T HA -0.135 4.215 4.350 0.000 0.000 0.268 191 T C 1.993 176.722 174.700 0.048 0.000 1.037 191 T CA 2.033 64.160 62.100 0.046 0.000 1.144 191 T CB -0.545 68.331 68.868 0.013 0.000 0.864 191 T HN 0.551 nan 8.240 nan 0.000 0.444 192 T N 2.067 116.628 114.554 0.012 0.000 2.788 192 T HA -0.043 4.307 4.350 0.000 0.000 0.268 192 T C 1.875 176.595 174.700 0.032 0.000 1.044 192 T CA 0.890 62.991 62.100 0.002 0.000 1.139 192 T CB -0.420 68.420 68.868 -0.048 0.000 0.867 192 T HN 0.153 nan 8.240 nan 0.000 0.454 193 L N 0.582 121.833 121.223 0.047 0.000 1.994 193 L HA -0.012 4.328 4.340 0.000 0.000 0.208 193 L C 2.103 179.100 176.870 0.211 0.000 1.071 193 L CA 1.564 56.461 54.840 0.096 0.000 0.745 193 L CB -0.544 41.574 42.059 0.097 0.000 0.892 193 L HN 0.125 nan 8.230 nan 0.000 0.431 194 I N 0.078 120.768 120.570 0.200 0.000 2.163 194 I HA -0.307 3.864 4.170 0.000 0.000 0.243 194 I C 2.624 178.775 176.117 0.056 0.000 1.085 194 I CA 1.699 63.076 61.300 0.128 0.000 1.347 194 I CB -0.919 37.099 38.000 0.031 0.000 1.044 194 I HN 0.352 nan 8.210 nan 0.000 0.408 195 A N -0.649 122.231 122.820 0.099 0.000 1.908 195 A HA -0.239 4.081 4.320 0.000 0.000 0.218 195 A C 2.405 180.166 177.584 0.294 0.000 1.181 195 A CA 2.561 54.700 52.037 0.171 0.000 0.627 195 A CB -1.283 17.906 19.000 0.314 0.000 0.818 195 A HN 0.433 nan 8.150 nan 0.000 0.445 196 T N 0.331 115.053 114.554 0.280 0.000 2.622 196 T HA -0.070 4.280 4.350 0.000 0.000 0.266 196 T C 2.285 177.127 174.700 0.236 0.000 1.047 196 T CA 1.979 64.277 62.100 0.330 0.000 1.159 196 T CB -0.681 68.261 68.868 0.123 0.000 0.863 196 T HN 0.658 nan 8.240 nan 0.000 0.422 197 A N 1.534 124.455 122.820 0.169 0.000 1.940 197 A HA -0.101 4.219 4.320 0.000 0.000 0.221 197 A C 2.597 180.170 177.584 -0.017 0.000 1.190 197 A CA 2.407 54.526 52.037 0.138 0.000 0.647 197 A CB -1.209 17.994 19.000 0.339 0.000 0.821 197 A HN 0.566 nan 8.150 nan 0.000 0.457 198 A N -1.907 120.801 122.820 -0.186 0.000 1.872 198 A HA 0.188 4.508 4.320 0.000 0.000 0.214 198 A C 1.723 179.043 177.584 -0.440 0.000 1.187 198 A CA 1.635 53.372 52.037 -0.500 0.000 0.614 198 A CB -0.424 17.952 19.000 -1.040 0.000 0.826 198 A HN 0.519 nan 8.150 nan 0.000 0.442 199 F N -1.372 118.544 119.950 -0.058 0.000 2.727 199 F HA 0.263 4.791 4.527 0.000 0.000 0.302 199 F C 1.727 177.302 175.800 -0.376 0.000 1.107 199 F CA 0.143 57.961 58.000 -0.303 0.000 1.277 199 F CB -0.077 38.584 39.000 -0.566 0.000 1.079 199 F HN 0.020 nan 8.300 nan 0.000 0.594 200 K N 1.956 122.384 120.400 0.047 0.000 2.059 200 K HA -0.199 4.121 4.320 0.000 0.000 0.212 200 K C 2.136 178.785 176.600 0.082 0.000 1.050 200 K CA 1.908 58.313 56.287 0.197 0.000 0.927 200 K CB -0.815 31.873 32.500 0.313 0.000 0.714 200 K HN 0.164 nan 8.250 nan 0.000 0.447 201 A N -0.124 122.735 122.820 0.065 0.000 1.908 201 A HA -0.130 4.190 4.320 0.000 0.000 0.218 201 A C 2.380 179.986 177.584 0.036 0.000 1.181 201 A CA 2.009 54.081 52.037 0.058 0.000 0.627 201 A CB -0.801 18.242 19.000 0.072 0.000 0.818 201 A HN 0.128 nan 8.150 nan 0.000 0.445 202 V N -0.041 119.888 119.914 0.025 0.000 2.233 202 V HA -0.280 3.840 4.120 0.000 0.000 0.247 202 V C 3.074 179.109 176.094 -0.098 0.000 1.050 202 V CA 2.057 64.343 62.300 -0.023 0.000 1.010 202 V CB -1.526 30.304 31.823 0.012 0.000 0.637 202 V HN 0.627 nan 8.190 nan 0.000 0.444 203 A N -0.280 122.456 122.820 -0.141 0.000 1.927 203 A HA -0.317 4.003 4.320 0.000 0.000 0.220 203 A C 2.384 179.952 177.584 -0.027 0.000 1.185 203 A CA 2.886 54.859 52.037 -0.105 0.000 0.639 203 A CB -1.219 17.733 19.000 -0.081 0.000 0.820 203 A HN 0.527 nan 8.150 nan 0.000 0.451 204 T N -0.443 114.115 114.554 0.007 0.000 2.652 204 T HA -0.179 4.172 4.350 0.000 0.000 0.267 204 T C 2.054 176.747 174.700 -0.012 0.000 1.039 204 T CA 1.642 63.752 62.100 0.017 0.000 1.153 204 T CB -0.278 68.610 68.868 0.032 0.000 0.863 204 T HN 0.550 nan 8.240 nan 0.000 0.428 205 R N 0.513 120.996 120.500 -0.028 0.000 2.091 205 R HA -0.013 4.327 4.340 0.000 0.000 0.238 205 R C 2.511 178.768 176.300 -0.072 0.000 1.136 205 R CA 1.140 57.213 56.100 -0.046 0.000 0.959 205 R CB -0.716 29.550 30.300 -0.056 0.000 0.856 205 R HN 0.372 nan 8.270 nan 0.000 0.437 206 L N 0.927 122.091 121.223 -0.099 0.000 2.083 206 L HA -0.203 4.138 4.340 0.000 0.000 0.209 206 L C 2.945 179.781 176.870 -0.057 0.000 1.083 206 L CA 1.308 56.085 54.840 -0.104 0.000 0.752 206 L CB -0.459 41.519 42.059 -0.134 0.000 0.899 206 L HN 0.274 nan 8.230 nan 0.000 0.433 207 Q N 0.112 119.890 119.800 -0.036 0.000 2.137 207 Q HA -0.122 4.219 4.340 0.000 0.000 0.198 207 Q C 2.153 178.148 176.000 -0.009 0.000 0.960 207 Q CA 1.364 57.159 55.803 -0.014 0.000 0.847 207 Q CB 0.063 28.802 28.738 0.002 0.000 0.915 207 Q HN 0.384 nan 8.270 nan 0.000 0.448 208 V N 0.784 120.689 119.914 -0.014 0.000 2.720 208 V HA -0.156 3.964 4.120 0.000 0.000 0.256 208 V C 2.112 178.198 176.094 -0.012 0.000 1.082 208 V CA 1.341 63.633 62.300 -0.013 0.000 1.101 208 V CB 0.092 31.906 31.823 -0.014 0.000 0.693 208 V HN 0.223 nan 8.190 nan 0.000 0.479 209 V N -1.382 118.523 119.914 -0.015 0.000 3.661 209 V HA 0.119 4.239 4.120 0.000 0.000 0.271 209 V C 1.225 177.324 176.094 0.009 0.000 1.315 209 V CA 0.593 62.887 62.300 -0.010 0.000 1.072 209 V CB 0.625 32.432 31.823 -0.027 0.000 0.830 209 V HN 0.570 nan 8.190 nan 0.000 0.443 210 T N 3.352 117.913 114.554 0.011 0.000 2.923 210 T HA 0.017 4.367 4.350 0.000 0.000 0.304 210 T C -1.515 173.204 174.700 0.031 0.000 1.044 210 T CA -0.223 61.894 62.100 0.029 0.000 1.141 210 T CB 0.931 69.818 68.868 0.031 0.000 1.023 210 T HN 0.314 nan 8.240 nan 0.000 0.533 211 P HA 0.196 nan 4.420 nan 0.000 0.254 211 P C 1.178 178.560 177.300 0.138 0.000 1.620 211 P CA -0.223 62.909 63.100 0.054 0.000 1.050 211 P CB 0.173 31.830 31.700 -0.071 0.000 1.539 212 M N -1.275 118.390 119.600 0.109 0.000 2.358 212 M HA 0.006 4.486 4.480 0.000 0.000 0.264 212 M C 0.812 177.228 176.300 0.194 0.000 1.064 212 M CA 1.195 56.577 55.300 0.138 0.000 1.093 212 M CB -1.311 31.334 32.600 0.074 0.000 1.401 212 M HN -0.081 nan 8.290 nan 0.000 0.440 213 T N 0.807 115.448 114.554 0.146 0.000 2.856 213 T HA 0.316 4.666 4.350 0.000 0.000 0.283 213 T C -1.930 172.820 174.700 0.085 0.000 1.008 213 T CA -1.363 60.822 62.100 0.143 0.000 0.997 213 T CB 2.309 71.200 68.868 0.037 0.000 0.992 213 T HN -0.104 nan 8.240 nan 0.000 0.454 214 P HA -0.009 nan 4.420 nan 0.000 0.229 214 P C -0.004 177.288 177.300 -0.013 0.000 1.150 214 P CA 0.503 63.584 63.100 -0.031 0.000 0.765 214 P CB 0.055 31.633 31.700 -0.204 0.000 0.783 215 V N 0.410 120.302 119.914 -0.038 0.000 2.267 215 V HA 0.242 4.363 4.120 0.000 0.000 0.254 215 V C 1.473 177.542 176.094 -0.042 0.000 1.144 215 V CA 0.061 62.323 62.300 -0.065 0.000 0.992 215 V CB -0.248 31.514 31.823 -0.103 0.000 1.199 215 V HN 0.060 nan 8.190 nan 0.000 0.493 216 A N 4.288 127.113 122.820 0.009 0.000 2.252 216 A HA 0.171 4.491 4.320 0.000 0.000 0.207 216 A C 0.923 178.508 177.584 0.001 0.000 1.194 216 A CA 0.031 52.130 52.037 0.103 0.000 0.809 216 A CB -0.248 18.973 19.000 0.369 0.000 0.814 216 A HN 0.546 nan 8.150 nan 0.000 0.482 217 V N -0.051 119.696 119.914 -0.280 0.000 2.694 217 V HA 0.333 4.453 4.120 0.000 0.000 0.306 217 V C 1.723 177.798 176.094 -0.032 0.000 1.054 217 V CA 1.248 63.304 62.300 -0.407 0.000 1.161 217 V CB -0.116 31.488 31.823 -0.365 0.000 0.916 217 V HN 1.146 nan 8.190 nan 0.000 0.490 218 G N 3.868 112.744 108.800 0.127 0.000 2.184 218 G HA2 -0.284 3.676 3.960 0.000 0.000 0.264 218 G HA3 -0.284 3.676 3.960 0.000 0.000 0.264 218 G C 0.133 175.097 174.900 0.106 0.000 0.975 218 G CA 0.222 45.389 45.100 0.112 0.000 0.642 218 G HN 1.058 nan 8.290 nan 0.000 0.536 219 I N 1.061 121.727 120.570 0.160 0.000 2.826 219 I HA 0.218 4.388 4.170 0.000 0.000 0.295 219 I C 0.354 176.528 176.117 0.094 0.000 1.213 219 I CA -0.291 61.091 61.300 0.136 0.000 1.436 219 I CB 0.420 38.550 38.000 0.218 0.000 1.348 219 I HN 0.157 nan 8.210 nan 0.000 0.570 220 N N 7.930 126.654 118.700 0.041 0.000 2.521 220 N HA 0.135 4.875 4.740 0.000 0.000 0.236 220 N C 0.378 175.900 175.510 0.020 0.000 1.067 220 N CA -0.314 52.737 53.050 0.003 0.000 0.939 220 N CB 0.510 38.965 38.487 -0.052 0.000 1.201 220 N HN 0.579 nan 8.380 nan 0.000 0.511 221 M N 0.525 120.158 119.600 0.055 0.000 2.700 221 M HA -0.009 4.471 4.480 0.000 0.000 0.249 221 M C -0.342 176.046 176.300 0.146 0.000 1.082 221 M CA 0.799 56.149 55.300 0.083 0.000 1.077 221 M CB -0.250 32.394 32.600 0.072 0.000 1.477 221 M HN 0.368 nan 8.290 nan 0.000 0.529 222 D N 0.548 121.025 120.400 0.127 0.000 2.957 222 D HA 0.228 4.868 4.640 0.000 0.000 0.352 222 D C -0.155 176.080 176.300 -0.108 0.000 1.352 222 D CA 0.131 54.280 54.000 0.248 0.000 0.831 222 D CB 0.613 41.553 40.800 0.234 0.000 1.147 222 D HN 0.231 nan 8.370 nan 0.000 0.467 223 S N -2.210 113.288 115.700 -0.337 0.000 2.615 223 S HA 0.141 4.611 4.470 0.000 0.000 0.269 223 S C 0.678 174.961 174.600 -0.530 0.000 1.161 223 S CA -0.641 57.026 58.200 -0.889 0.000 0.817 223 S CB 1.905 64.855 63.200 -0.418 0.000 1.131 223 S HN -0.154 nan 8.310 nan 0.000 0.467 224 V N 1.440 121.065 119.914 -0.482 0.000 2.764 224 V HA -0.232 3.888 4.120 0.000 0.000 0.261 224 V C 2.296 178.375 176.094 -0.024 0.000 1.108 224 V CA 2.592 64.844 62.300 -0.080 0.000 1.129 224 V CB -1.153 30.643 31.823 -0.045 0.000 0.701 224 V HN 0.887 nan 8.190 nan 0.000 0.495 225 Q N -1.183 118.576 119.800 -0.069 0.000 2.124 225 Q HA -0.230 4.110 4.340 0.000 0.000 0.202 225 Q C 2.269 178.288 176.000 0.031 0.000 0.977 225 Q CA 2.134 57.929 55.803 -0.013 0.000 0.850 225 Q CB -0.231 28.494 28.738 -0.022 0.000 0.901 225 Q HN 0.677 nan 8.270 nan 0.000 0.429 226 M N 0.571 120.196 119.600 0.041 0.000 2.099 226 M HA -0.211 4.269 4.480 0.000 0.000 0.262 226 M C 1.719 178.089 176.300 0.117 0.000 1.067 226 M CA 1.769 57.105 55.300 0.060 0.000 1.124 226 M CB -0.382 32.214 32.600 -0.007 0.000 1.353 226 M HN 0.208 nan 8.290 nan 0.000 0.410 227 Q N -0.272 119.608 119.800 0.132 0.000 2.096 227 Q HA -0.166 4.174 4.340 0.000 0.000 0.204 227 Q C 2.114 178.199 176.000 0.141 0.000 0.982 227 Q CA 2.001 57.898 55.803 0.157 0.000 0.850 227 Q CB -0.523 28.320 28.738 0.174 0.000 0.901 227 Q HN 0.466 nan 8.270 nan 0.000 0.422 228 V N 1.262 121.240 119.914 0.106 0.000 2.332 228 V HA -0.307 3.813 4.120 0.000 0.000 0.248 228 V C 2.302 178.456 176.094 0.100 0.000 1.055 228 V CA 1.913 64.268 62.300 0.091 0.000 1.038 228 V CB -0.578 31.284 31.823 0.065 0.000 0.651 228 V HN 0.431 nan 8.190 nan 0.000 0.450 229 M N 0.613 120.262 119.600 0.083 0.000 2.086 229 M HA -0.222 4.258 4.480 0.000 0.000 0.261 229 M C 2.209 178.579 176.300 0.117 0.000 1.067 229 M CA 2.593 57.891 55.300 -0.003 0.000 1.116 229 M CB -0.432 32.116 32.600 -0.087 0.000 1.348 229 M HN 0.518 nan 8.290 nan 0.000 0.407 230 N N 0.582 119.459 118.700 0.295 0.000 2.069 230 N HA -0.273 4.467 4.740 0.000 0.000 0.191 230 N C 1.316 176.911 175.510 0.143 0.000 1.031 230 N CA 2.434 55.654 53.050 0.283 0.000 0.852 230 N CB -0.520 38.257 38.487 0.483 0.000 1.018 230 N HN 0.480 nan 8.380 nan 0.000 0.423 231 D N -0.853 119.632 120.400 0.142 0.000 2.190 231 D HA -0.139 4.501 4.640 0.000 0.000 0.200 231 D C 1.593 177.947 176.300 0.091 0.000 0.992 231 D CA 1.707 55.769 54.000 0.103 0.000 0.854 231 D CB -0.294 40.565 40.800 0.098 0.000 0.936 231 D HN 0.441 nan 8.370 nan 0.000 0.462 232 S N -0.930 114.841 115.700 0.118 0.000 2.561 232 S HA 0.010 4.480 4.470 0.000 0.000 0.225 232 S C 1.807 176.457 174.600 0.083 0.000 0.977 232 S CA 0.052 58.328 58.200 0.126 0.000 0.926 232 S CB -0.398 62.931 63.200 0.215 0.000 0.769 232 S HN 0.374 nan 8.310 nan 0.000 0.533 233 L N 0.021 121.277 121.223 0.054 0.000 2.509 233 L HA 0.219 4.559 4.340 0.000 0.000 0.222 233 L C 0.486 177.350 176.870 -0.009 0.000 1.123 233 L CA -0.035 54.805 54.840 0.000 0.000 0.856 233 L CB -0.298 41.731 42.059 -0.050 0.000 0.985 233 L HN 0.042 nan 8.230 nan 0.000 0.456 234 K N 1.608 122.015 120.400 0.011 0.000 2.489 234 K HA 0.133 4.453 4.320 0.000 0.000 0.278 234 K C 1.093 177.694 176.600 0.002 0.000 1.000 234 K CA 0.779 57.070 56.287 0.007 0.000 1.012 234 K CB -0.012 32.501 32.500 0.021 0.000 0.903 234 K HN 0.263 nan 8.250 nan 0.000 0.485 235 G N 1.205 110.000 108.800 -0.007 0.000 2.221 235 G HA2 -0.208 3.752 3.960 0.000 0.000 0.265 235 G HA3 -0.208 3.752 3.960 0.000 0.000 0.265 235 G C 0.359 175.252 174.900 -0.011 0.000 1.041 235 G CA 0.279 45.375 45.100 -0.007 0.000 0.807 235 G HN 0.917 nan 8.290 nan 0.000 0.502 236 G N -2.168 106.617 108.800 -0.025 0.000 2.694 236 G HA2 0.709 4.669 3.960 0.000 0.000 0.290 236 G HA3 0.709 4.669 3.960 0.000 0.000 0.290 236 G C -0.699 174.162 174.900 -0.065 0.000 1.386 236 G CA -0.155 44.928 45.100 -0.029 0.000 0.872 236 G HN 0.922 nan 8.290 nan 0.000 0.475 237 V N 1.096 120.963 119.914 -0.077 0.000 2.408 237 V HA 0.287 4.407 4.120 0.000 0.000 0.267 237 V C 0.001 175.927 176.094 -0.280 0.000 1.047 237 V CA -0.505 61.684 62.300 -0.184 0.000 0.937 237 V CB 0.948 32.663 31.823 -0.180 0.000 0.999 237 V HN 0.576 nan 8.190 nan 0.000 0.472 238 L N 7.297 128.312 121.223 -0.347 0.000 2.290 238 L HA 0.481 4.821 4.340 0.000 0.000 0.284 238 L C -0.953 175.620 176.870 -0.496 0.000 1.078 238 L CA 0.085 54.749 54.840 -0.293 0.000 0.815 238 L CB 0.399 42.331 42.059 -0.212 0.000 1.162 238 L HN 0.525 nan 8.230 nan 0.000 0.435 239 Y N 3.560 123.771 120.300 -0.150 0.000 2.361 239 Y HA 0.443 4.993 4.550 0.000 0.000 0.337 239 Y C -0.205 175.616 175.900 -0.132 0.000 0.965 239 Y CA -0.467 57.551 58.100 -0.138 0.000 1.091 239 Y CB 1.814 40.161 38.460 -0.188 0.000 1.182 239 Y HN 0.471 nan 8.280 nan 0.000 0.450 240 C N 5.710 125.029 119.300 0.031 0.000 2.281 240 C HA 0.745 5.205 4.460 0.000 0.000 0.323 240 C C -0.225 174.767 174.990 0.002 0.000 1.270 240 C CA -0.920 58.090 59.018 -0.012 0.000 1.559 240 C CB -0.956 26.784 27.740 -0.001 0.000 2.239 240 C HN 0.673 nan 8.230 nan 0.000 0.488 241 L N 2.840 124.040 121.223 -0.038 0.000 2.333 241 L HA 0.655 4.995 4.340 0.000 0.000 0.263 241 L C -0.503 176.417 176.870 0.085 0.000 1.014 241 L CA -0.307 54.526 54.840 -0.012 0.000 0.820 241 L CB 1.702 43.702 42.059 -0.100 0.000 1.352 241 L HN 0.457 nan 8.230 nan 0.000 0.421 242 D N 0.756 121.204 120.400 0.079 0.000 2.364 242 D HA 0.212 4.852 4.640 0.000 0.000 0.251 242 D C -0.848 175.556 176.300 0.175 0.000 1.282 242 D CA -0.353 53.730 54.000 0.139 0.000 0.927 242 D CB 0.523 41.368 40.800 0.076 0.000 1.267 242 D HN 0.247 nan 8.370 nan 0.000 0.531 243 Y N 0.614 120.992 120.300 0.130 0.000 2.757 243 Y HA -0.008 4.542 4.550 0.000 0.000 0.344 243 Y C 1.593 177.604 175.900 0.186 0.000 1.263 243 Y CA 0.539 58.761 58.100 0.204 0.000 1.493 243 Y CB 0.609 39.325 38.460 0.425 0.000 1.342 243 Y HN 0.102 nan 8.280 nan 0.000 0.627 244 S N 3.437 119.303 115.700 0.276 0.000 2.525 244 S HA 0.142 4.613 4.470 0.000 0.000 0.278 244 S C -0.144 174.576 174.600 0.200 0.000 1.234 244 S CA -0.902 57.407 58.200 0.181 0.000 1.058 244 S CB 0.462 63.717 63.200 0.091 0.000 0.983 244 S HN 0.557 nan 8.310 nan 0.000 0.495 245 K N 2.151 122.654 120.400 0.171 0.000 3.071 245 K HA -0.199 4.121 4.320 0.000 0.000 0.262 245 K C 0.852 177.552 176.600 0.166 0.000 0.977 245 K CA 0.376 56.747 56.287 0.140 0.000 0.721 245 K CB -1.259 31.279 32.500 0.062 0.000 1.293 245 K HN 0.900 nan 8.250 nan 0.000 0.475 246 W N 1.736 123.079 121.300 0.073 0.000 2.301 246 W HA -0.275 4.385 4.660 0.001 0.000 0.325 246 W C 1.180 177.709 176.519 0.017 0.000 1.250 246 W CA 2.183 59.558 57.345 0.051 0.000 1.261 246 W CB -0.191 29.319 29.460 0.083 0.000 1.157 246 W HN 0.278 nan 8.180 nan 0.000 0.473 247 D N 0.018 120.538 120.400 0.202 0.000 2.182 247 D HA -0.187 4.453 4.640 0.000 0.000 0.201 247 D C 2.342 178.562 176.300 -0.133 0.000 0.986 247 D CA 2.330 56.377 54.000 0.079 0.000 0.847 247 D CB -0.675 40.252 40.800 0.212 0.000 0.942 247 D HN 0.246 nan 8.370 nan 0.000 0.467 248 S N -0.746 114.840 115.700 -0.190 0.000 2.562 248 S HA -0.043 4.427 4.470 0.000 0.000 0.221 248 S C 1.704 176.040 174.600 -0.439 0.000 0.975 248 S CA 1.078 58.953 58.200 -0.540 0.000 0.918 248 S CB -0.243 62.718 63.200 -0.400 0.000 0.772 248 S HN 0.290 nan 8.310 nan 0.000 0.531 249 T N -2.156 112.186 114.554 -0.354 0.000 3.040 249 T HA 0.217 4.567 4.350 0.000 0.000 0.250 249 T C 0.522 174.989 174.700 -0.388 0.000 1.058 249 T CA -0.416 61.477 62.100 -0.345 0.000 0.988 249 T CB -0.150 68.523 68.868 -0.325 0.000 0.993 249 T HN 0.146 nan 8.240 nan 0.000 0.519 250 Q N 2.771 122.323 119.800 -0.413 0.000 2.386 250 Q HA 0.176 4.516 4.340 0.000 0.000 0.282 250 Q C -0.148 175.779 176.000 -0.122 0.000 1.050 250 Q CA 0.263 55.911 55.803 -0.258 0.000 0.918 250 Q CB 0.263 28.867 28.738 -0.222 0.000 1.266 250 Q HN 0.475 nan 8.270 nan 0.000 0.423 251 N N 2.293 120.986 118.700 -0.011 0.000 2.421 251 N HA 0.165 4.905 4.740 0.000 0.000 0.285 251 N C -2.010 173.467 175.510 -0.055 0.000 1.027 251 N CA -1.891 51.143 53.050 -0.026 0.000 0.918 251 N CB 1.489 39.989 38.487 0.021 0.000 1.152 251 N HN 0.031 nan 8.380 nan 0.000 0.485 252 P HA -0.136 nan 4.420 nan 0.000 0.217 252 P C 0.809 178.080 177.300 -0.048 0.000 1.151 252 P CA 1.507 64.586 63.100 -0.036 0.000 0.849 252 P CB 0.199 31.889 31.700 -0.017 0.000 0.787 253 A N -1.052 121.735 122.820 -0.056 0.000 1.968 253 A HA -0.106 4.214 4.320 0.000 0.000 0.217 253 A C 2.290 179.811 177.584 -0.106 0.000 1.169 253 A CA 1.418 53.414 52.037 -0.067 0.000 0.638 253 A CB -1.488 17.475 19.000 -0.062 0.000 0.812 253 A HN 0.034 nan 8.150 nan 0.000 0.446 254 V N -0.300 119.523 119.914 -0.152 0.000 2.270 254 V HA -0.217 3.903 4.120 0.000 0.000 0.245 254 V C 2.719 178.705 176.094 -0.181 0.000 1.043 254 V CA 2.443 64.596 62.300 -0.244 0.000 1.014 254 V CB -1.392 30.140 31.823 -0.484 0.000 0.645 254 V HN 0.577 nan 8.190 nan 0.000 0.447 255 T N 0.803 115.279 114.554 -0.130 0.000 2.685 255 T HA -0.277 4.073 4.350 0.000 0.000 0.268 255 T C 2.037 176.698 174.700 -0.066 0.000 1.034 255 T CA 1.889 63.942 62.100 -0.079 0.000 1.149 255 T CB -0.536 68.305 68.868 -0.045 0.000 0.860 255 T HN 0.587 nan 8.240 nan 0.000 0.449 256 A N 1.233 124.019 122.820 -0.057 0.000 1.933 256 A HA 0.140 4.460 4.320 0.000 0.000 0.218 256 A C 2.629 180.180 177.584 -0.055 0.000 1.175 256 A CA 1.868 53.880 52.037 -0.040 0.000 0.628 256 A CB -1.002 17.979 19.000 -0.031 0.000 0.814 256 A HN 0.540 nan 8.150 nan 0.000 0.444 257 A N -0.776 121.997 122.820 -0.079 0.000 1.897 257 A HA -0.012 4.308 4.320 0.000 0.000 0.215 257 A C 2.442 179.978 177.584 -0.081 0.000 1.181 257 A CA 1.879 53.869 52.037 -0.079 0.000 0.620 257 A CB -0.831 18.110 19.000 -0.099 0.000 0.821 257 A HN 0.433 nan 8.150 nan 0.000 0.443 258 S N 0.052 115.694 115.700 -0.097 0.000 2.359 258 S HA -0.125 4.345 4.470 0.000 0.000 0.224 258 S C 1.820 176.337 174.600 -0.138 0.000 1.035 258 S CA 1.570 59.708 58.200 -0.102 0.000 1.018 258 S CB -0.500 62.643 63.200 -0.094 0.000 0.876 258 S HN 0.501 nan 8.310 nan 0.000 0.448 259 L N 1.047 122.188 121.223 -0.137 0.000 2.131 259 L HA -0.131 4.210 4.340 0.000 0.000 0.210 259 L C 2.698 179.478 176.870 -0.150 0.000 1.092 259 L CA 1.119 55.838 54.840 -0.202 0.000 0.759 259 L CB -0.622 41.386 42.059 -0.083 0.000 0.903 259 L HN 0.318 nan 8.230 nan 0.000 0.435 260 A N 0.118 122.894 122.820 -0.074 0.000 1.969 260 A HA -0.129 4.191 4.320 0.000 0.000 0.218 260 A C 2.225 179.783 177.584 -0.043 0.000 1.169 260 A CA 1.255 53.269 52.037 -0.039 0.000 0.635 260 A CB -0.511 18.469 19.000 -0.032 0.000 0.810 260 A HN 0.341 nan 8.150 nan 0.000 0.445 261 I N -0.417 120.125 120.570 -0.046 0.000 2.163 261 I HA -0.245 3.925 4.170 0.000 0.000 0.240 261 I C 2.338 178.495 176.117 0.067 0.000 1.081 261 I CA 1.116 62.423 61.300 0.013 0.000 1.353 261 I CB -0.384 37.635 38.000 0.033 0.000 1.054 261 I HN 0.274 nan 8.210 nan 0.000 0.407 262 L N 0.544 121.716 121.223 -0.085 0.000 2.081 262 L HA -0.265 4.075 4.340 0.000 0.000 0.212 262 L C 2.619 179.499 176.870 0.016 0.000 1.080 262 L CA 1.549 56.291 54.840 -0.163 0.000 0.754 262 L CB -0.619 41.010 42.059 -0.716 0.000 0.893 262 L HN 0.384 nan 8.230 nan 0.000 0.433 263 E N 0.378 120.588 120.200 0.018 0.000 2.204 263 E HA -0.249 4.102 4.350 0.000 0.000 0.194 263 E C 2.283 178.921 176.600 0.064 0.000 0.989 263 E CA 0.600 57.105 56.400 0.176 0.000 0.824 263 E CB 0.043 29.825 29.700 0.137 0.000 0.756 263 E HN 0.273 nan 8.360 nan 0.000 0.477 264 R N 0.040 120.508 120.500 -0.053 0.000 2.276 264 R HA -0.051 4.289 4.340 0.000 0.000 0.203 264 R C 0.684 176.738 176.300 -0.411 0.000 1.017 264 R CA 0.521 56.470 56.100 -0.252 0.000 1.010 264 R CB -0.140 29.936 30.300 -0.372 0.000 0.900 264 R HN 0.193 nan 8.270 nan 0.000 0.469 265 F N 0.116 120.056 119.950 -0.016 0.000 2.695 265 F HA 0.394 4.921 4.527 0.001 0.000 0.303 265 F C 0.895 176.679 175.800 -0.026 0.000 1.091 265 F CA 0.000 57.985 58.000 -0.026 0.000 1.300 265 F CB 0.453 39.440 39.000 -0.022 0.000 1.071 265 F HN -0.043 nan 8.300 nan 0.000 0.578 266 A N 0.616 123.510 122.820 0.123 0.000 2.340 266 A HA 0.548 4.868 4.320 0.000 0.000 0.331 266 A C -0.200 177.387 177.584 0.005 0.000 1.140 266 A CA -0.665 51.419 52.037 0.078 0.000 0.801 266 A CB 0.528 19.613 19.000 0.143 0.000 1.234 266 A HN 0.313 nan 8.150 nan 0.000 0.469 267 E N 2.023 122.211 120.200 -0.021 0.000 2.331 267 E HA 0.445 4.795 4.350 0.000 0.000 0.272 267 E C -2.486 174.124 176.600 0.017 0.000 1.036 267 E CA -1.620 54.765 56.400 -0.026 0.000 0.864 267 E CB 0.248 29.926 29.700 -0.036 0.000 1.035 267 E HN 0.280 nan 8.360 nan 0.000 0.408 268 P HA -0.022 nan 4.420 nan 0.000 0.264 268 P C -1.036 176.312 177.300 0.080 0.000 1.183 268 P CA 0.655 63.770 63.100 0.024 0.000 0.763 268 P CB 0.312 32.008 31.700 -0.007 0.000 0.807 269 H N 3.012 122.048 119.070 -0.055 0.000 3.121 269 H HA 0.114 4.671 4.556 0.000 0.000 0.337 269 H C -2.310 172.962 175.328 -0.094 0.000 1.198 269 H CA -1.373 54.633 56.048 -0.070 0.000 1.274 269 H CB 1.753 31.472 29.762 -0.071 0.000 1.954 269 H HN 0.102 nan 8.280 nan 0.000 0.531 270 P HA -0.176 nan 4.420 nan 0.000 0.218 270 P C 1.847 179.150 177.300 0.006 0.000 1.152 270 P CA 1.166 64.214 63.100 -0.088 0.000 0.857 270 P CB 0.311 31.896 31.700 -0.191 0.000 0.787 271 I N -1.434 119.243 120.570 0.179 0.000 2.286 271 I HA -0.153 4.017 4.170 0.000 0.000 0.248 271 I C 2.298 178.328 176.117 -0.145 0.000 1.115 271 I CA 1.406 62.641 61.300 -0.108 0.000 1.392 271 I CB -1.400 36.423 38.000 -0.295 0.000 1.065 271 I HN -0.116 nan 8.210 nan 0.000 0.418 272 V N 0.522 120.375 119.914 -0.103 0.000 2.261 272 V HA -0.259 3.861 4.120 0.000 0.000 0.246 272 V C 2.650 178.710 176.094 -0.055 0.000 1.047 272 V CA 1.987 64.193 62.300 -0.155 0.000 1.015 272 V CB -0.822 30.963 31.823 -0.064 0.000 0.642 272 V HN 0.352 nan 8.190 nan 0.000 0.446 273 S N -0.776 114.913 115.700 -0.017 0.000 2.365 273 S HA -0.258 4.213 4.470 0.000 0.000 0.225 273 S C 2.004 176.604 174.600 0.001 0.000 1.039 273 S CA 2.000 60.201 58.200 0.001 0.000 1.033 273 S CB -0.532 62.658 63.200 -0.015 0.000 0.887 273 S HN 0.692 nan 8.310 nan 0.000 0.447 274 C N 1.422 120.704 119.300 -0.031 0.000 2.450 274 C HA 0.158 4.618 4.460 0.000 0.000 0.279 274 C C 2.982 177.975 174.990 0.004 0.000 1.335 274 C CA 0.028 59.031 59.018 -0.024 0.000 1.749 274 C CB -1.621 26.082 27.740 -0.061 0.000 1.963 274 C HN 0.665 nan 8.230 nan 0.000 0.501 275 A N 1.160 123.966 122.820 -0.022 0.000 1.883 275 A HA -0.165 4.155 4.320 0.000 0.000 0.217 275 A C 2.010 179.698 177.584 0.173 0.000 1.186 275 A CA 1.843 53.899 52.037 0.031 0.000 0.624 275 A CB -0.606 18.286 19.000 -0.179 0.000 0.822 275 A HN 0.592 nan 8.150 nan 0.000 0.444 276 I N -1.004 119.679 120.570 0.189 0.000 2.113 276 I HA -0.250 3.920 4.170 0.000 0.000 0.238 276 I C 2.612 178.801 176.117 0.120 0.000 1.070 276 I CA 1.710 63.129 61.300 0.199 0.000 1.332 276 I CB -0.507 37.593 38.000 0.166 0.000 1.044 276 I HN 0.468 nan 8.210 nan 0.000 0.402 277 E N 1.041 121.289 120.200 0.080 0.000 2.086 277 E HA -0.315 4.035 4.350 0.000 0.000 0.200 277 E C 2.204 178.848 176.600 0.074 0.000 1.012 277 E CA 1.752 58.187 56.400 0.059 0.000 0.812 277 E CB -0.041 29.681 29.700 0.036 0.000 0.743 277 E HN 0.520 nan 8.360 nan 0.000 0.453 278 A N 0.960 123.831 122.820 0.085 0.000 1.835 278 A HA -0.152 4.168 4.320 0.000 0.000 0.215 278 A C 2.190 179.851 177.584 0.129 0.000 1.199 278 A CA 1.343 53.441 52.037 0.102 0.000 0.615 278 A CB -0.820 18.238 19.000 0.097 0.000 0.838 278 A HN 0.276 nan 8.150 nan 0.000 0.444 279 L N 0.797 122.111 121.223 0.151 0.000 2.456 279 L HA -0.091 4.249 4.340 0.000 0.000 0.224 279 L C 2.373 179.314 176.870 0.119 0.000 1.148 279 L CA 1.200 56.139 54.840 0.165 0.000 0.825 279 L CB -0.322 41.861 42.059 0.207 0.000 0.937 279 L HN 0.598 nan 8.230 nan 0.000 0.450 280 S N -2.306 113.452 115.700 0.098 0.000 2.511 280 S HA 0.082 4.552 4.470 0.000 0.000 0.214 280 S C 1.007 175.641 174.600 0.057 0.000 0.997 280 S CA -0.189 58.049 58.200 0.063 0.000 0.908 280 S CB -0.042 63.186 63.200 0.048 0.000 0.803 280 S HN 0.365 nan 8.310 nan 0.000 0.504 281 S N 2.627 118.372 115.700 0.074 0.000 2.655 281 S HA 0.534 5.004 4.470 0.000 0.000 0.265 281 S C -2.810 171.842 174.600 0.088 0.000 1.240 281 S CA -1.378 56.866 58.200 0.072 0.000 0.986 281 S CB -0.484 62.761 63.200 0.075 0.000 0.985 281 S HN 0.188 nan 8.310 nan 0.000 0.562 282 P HA 0.200 nan 4.420 nan 0.000 0.266 282 P C -0.523 176.869 177.300 0.154 0.000 1.195 282 P CA 0.018 63.180 63.100 0.103 0.000 0.768 282 P CB 0.022 31.778 31.700 0.094 0.000 0.838 283 A N 3.461 126.370 122.820 0.149 0.000 2.371 283 A HA 0.254 4.574 4.320 0.000 0.000 0.257 283 A C 0.259 178.049 177.584 0.343 0.000 1.089 283 A CA -0.335 51.838 52.037 0.227 0.000 0.794 283 A CB 0.071 19.019 19.000 -0.087 0.000 1.029 283 A HN 0.577 nan 8.150 nan 0.000 0.488 284 E N 1.894 122.378 120.200 0.473 0.000 2.235 284 E HA 0.462 4.813 4.350 0.000 0.000 0.252 284 E C -0.215 176.711 176.600 0.543 0.000 0.886 284 E CA -0.539 56.108 56.400 0.411 0.000 0.767 284 E CB 1.695 31.579 29.700 0.307 0.000 1.205 284 E HN 0.689 nan 8.360 nan 0.000 0.421 285 G N 2.665 111.718 108.800 0.423 0.000 2.322 285 G HA2 0.387 4.347 3.960 0.000 0.000 0.309 285 G HA3 0.387 4.347 3.960 0.000 0.000 0.309 285 G C -0.975 173.984 174.900 0.098 0.000 1.121 285 G CA -0.273 44.985 45.100 0.264 0.000 0.886 285 G HN 0.275 nan 8.290 nan 0.000 0.447 286 Y N 0.859 121.122 120.300 -0.062 0.000 2.334 286 Y HA 0.596 5.146 4.550 0.000 0.000 0.328 286 Y C 0.228 176.044 175.900 -0.141 0.000 1.130 286 Y CA -1.070 56.966 58.100 -0.106 0.000 1.163 286 Y CB 2.285 40.675 38.460 -0.116 0.000 1.207 286 Y HN 0.403 nan 8.280 nan 0.000 0.471 287 V N 4.943 124.839 119.914 -0.030 0.000 2.817 287 V HA 0.413 4.533 4.120 0.000 0.000 0.303 287 V C -0.480 175.598 176.094 -0.027 0.000 1.151 287 V CA -0.743 61.544 62.300 -0.022 0.000 0.929 287 V CB 1.197 33.013 31.823 -0.011 0.000 1.030 287 V HN 1.032 nan 8.190 nan 0.000 0.427 288 N N 4.432 123.147 118.700 0.024 0.000 1.222 288 N HA -0.276 4.465 4.740 0.000 0.000 0.134 288 N C 0.502 176.020 175.510 0.013 0.000 0.787 288 N CA 2.211 55.279 53.050 0.031 0.000 0.929 288 N CB -0.712 37.810 38.487 0.059 0.000 1.170 288 N HN 1.142 nan 8.380 nan 0.000 0.541 289 D N 0.582 120.975 120.400 -0.011 0.000 2.340 289 D HA 0.355 4.996 4.640 0.000 0.000 0.217 289 D C 0.635 176.883 176.300 -0.086 0.000 1.081 289 D CA -0.115 53.876 54.000 -0.014 0.000 0.842 289 D CB -0.169 40.633 40.800 0.002 0.000 0.934 289 D HN 0.598 nan 8.370 nan 0.000 0.511 290 I N -2.367 118.086 120.570 -0.195 0.000 2.693 290 I HA 0.539 4.710 4.170 0.000 0.000 0.303 290 I C -0.677 175.202 176.117 -0.397 0.000 1.025 290 I CA -1.501 59.600 61.300 -0.332 0.000 1.086 290 I CB 1.969 39.632 38.000 -0.562 0.000 1.268 290 I HN -0.070 nan 8.210 nan 0.000 0.440 291 K N 3.983 124.119 120.400 -0.440 0.000 2.267 291 K HA 0.563 4.884 4.320 0.000 0.000 0.246 291 K C -1.941 174.506 176.600 -0.256 0.000 0.954 291 K CA -0.522 55.461 56.287 -0.506 0.000 0.824 291 K CB 2.222 34.190 32.500 -0.886 0.000 1.167 291 K HN 0.776 nan 8.250 nan 0.000 0.431 292 F N 2.808 122.584 119.950 -0.290 0.000 2.427 292 F HA 0.346 4.873 4.527 0.000 0.000 0.348 292 F C -1.238 174.559 175.800 -0.005 0.000 1.125 292 F CA -0.989 56.932 58.000 -0.132 0.000 0.989 292 F CB 1.435 40.371 39.000 -0.107 0.000 1.165 292 F HN 0.231 nan 8.300 nan 0.000 0.442 293 V N 4.897 124.785 119.914 -0.043 0.000 2.348 293 V HA 0.236 4.357 4.120 0.000 0.000 0.270 293 V C 0.429 176.569 176.094 0.078 0.000 1.037 293 V CA -0.645 61.697 62.300 0.071 0.000 0.872 293 V CB 0.660 32.471 31.823 -0.020 0.000 1.002 293 V HN 0.847 nan 8.190 nan 0.000 0.464 294 T N 2.538 117.293 114.554 0.334 0.000 2.856 294 T HA 0.360 4.711 4.350 0.000 0.000 0.306 294 T C 0.644 175.449 174.700 0.175 0.000 1.062 294 T CA -0.237 62.091 62.100 0.379 0.000 1.083 294 T CB 1.394 70.502 68.868 0.399 0.000 0.984 294 T HN 0.547 nan 8.240 nan 0.000 0.542 295 R N 0.050 120.647 120.500 0.162 0.000 2.521 295 R HA 0.467 4.808 4.340 0.000 0.000 0.289 295 R C 0.700 177.039 176.300 0.065 0.000 0.936 295 R CA 0.362 56.508 56.100 0.077 0.000 1.089 295 R CB 1.285 31.608 30.300 0.039 0.000 1.348 295 R HN 1.011 nan 8.270 nan 0.000 0.536 296 G N -1.506 107.349 108.800 0.092 0.000 2.677 296 G HA2 0.523 4.484 3.960 0.000 0.000 0.291 296 G HA3 0.523 4.484 3.960 0.000 0.000 0.291 296 G C -0.785 174.111 174.900 -0.006 0.000 1.435 296 G CA -0.352 44.756 45.100 0.013 0.000 0.826 296 G HN 0.348 nan 8.290 nan 0.000 0.491 297 G N -1.467 107.263 108.800 -0.118 0.000 2.662 297 G HA2 0.350 4.310 3.960 0.000 0.000 0.686 297 G HA3 0.350 4.310 3.960 0.000 0.000 0.686 297 G C -0.902 173.967 174.900 -0.051 0.000 1.271 297 G CA -0.176 44.778 45.100 -0.244 0.000 0.816 297 G HN 1.678 nan 8.290 nan 0.000 0.608 298 L N 2.321 123.513 121.223 -0.051 0.000 2.322 298 L HA 0.743 5.083 4.340 0.000 0.000 0.281 298 L C -1.919 174.850 176.870 -0.168 0.000 1.014 298 L CA -2.397 52.393 54.840 -0.083 0.000 0.815 298 L CB 2.291 44.324 42.059 -0.043 0.000 1.247 298 L HN 0.461 nan 8.230 nan 0.000 0.421 299 P HA 0.115 nan 4.420 nan 0.000 0.276 299 P C -0.886 176.068 177.300 -0.577 0.000 1.253 299 P CA -0.183 62.128 63.100 -1.316 0.000 0.766 299 P CB 1.014 31.507 31.700 -2.013 0.000 0.845 300 S N 2.454 117.989 115.700 -0.276 0.000 2.515 300 S HA 0.376 4.846 4.470 0.000 0.000 0.285 300 S C 1.561 176.226 174.600 0.109 0.000 1.265 300 S CA 0.713 58.938 58.200 0.041 0.000 1.079 300 S CB -0.221 63.083 63.200 0.173 0.000 0.877 300 S HN 0.877 nan 8.310 nan 0.000 0.493 301 G N 2.314 111.186 108.800 0.121 0.000 2.184 301 G HA2 -0.227 3.734 3.960 0.000 0.000 0.206 301 G HA3 -0.227 3.734 3.960 0.000 0.000 0.206 301 G C 0.037 175.100 174.900 0.271 0.000 0.995 301 G CA -0.127 45.090 45.100 0.194 0.000 0.651 301 G HN 0.804 nan 8.290 nan 0.000 0.511 302 M N 0.478 120.204 119.600 0.210 0.000 2.245 302 M HA 0.652 5.132 4.480 0.000 0.000 0.330 302 M C -2.357 174.044 176.300 0.170 0.000 1.098 302 M CA -1.357 54.124 55.300 0.301 0.000 1.172 302 M CB -0.253 32.481 32.600 0.223 0.000 1.467 302 M HN -0.080 nan 8.290 nan 0.000 0.454 303 P HA 0.036 nan 4.420 nan 0.000 0.262 303 P C -0.814 176.563 177.300 0.129 0.000 1.182 303 P CA 0.453 63.559 63.100 0.010 0.000 0.761 303 P CB -0.159 31.595 31.700 0.091 0.000 0.795 304 F N -0.089 119.920 119.950 0.099 0.000 3.093 304 F HA -0.258 4.269 4.527 0.000 0.000 0.287 304 F C 1.853 177.686 175.800 0.054 0.000 0.882 304 F CA 1.274 59.316 58.000 0.069 0.000 1.063 304 F CB -2.911 36.135 39.000 0.077 0.000 1.097 304 F HN 0.351 nan 8.300 nan 0.000 0.604 305 T N -3.061 111.589 114.554 0.161 0.000 2.759 305 T HA -0.230 4.120 4.350 0.000 0.000 0.269 305 T C 2.074 176.857 174.700 0.138 0.000 1.042 305 T CA 2.255 64.441 62.100 0.143 0.000 1.140 305 T CB -0.139 68.799 68.868 0.117 0.000 0.864 305 T HN 0.417 nan 8.240 nan 0.000 0.455 306 S N 0.200 115.966 115.700 0.111 0.000 2.355 306 S HA -0.009 4.461 4.470 0.000 0.000 0.222 306 S C 2.145 176.726 174.600 -0.030 0.000 1.031 306 S CA 1.182 59.403 58.200 0.034 0.000 0.993 306 S CB -0.523 62.659 63.200 -0.030 0.000 0.859 306 S HN 0.421 nan 8.310 nan 0.000 0.453 307 V N 1.556 121.481 119.914 0.018 0.000 2.287 307 V HA -0.157 3.963 4.120 0.000 0.000 0.248 307 V C 2.322 178.413 176.094 -0.004 0.000 1.053 307 V CA 1.594 63.884 62.300 -0.015 0.000 1.027 307 V CB -0.715 31.118 31.823 0.017 0.000 0.646 307 V HN 0.323 nan 8.190 nan 0.000 0.447 308 V N 0.309 120.253 119.914 0.050 0.000 2.295 308 V HA -0.249 3.872 4.120 0.000 0.000 0.246 308 V C 2.370 178.515 176.094 0.086 0.000 1.049 308 V CA 2.120 64.439 62.300 0.032 0.000 1.024 308 V CB -0.910 30.947 31.823 0.057 0.000 0.648 308 V HN 0.548 nan 8.190 nan 0.000 0.447 309 N N 0.440 119.234 118.700 0.158 0.000 2.091 309 N HA -0.173 4.568 4.740 0.000 0.000 0.193 309 N C 2.082 177.762 175.510 0.283 0.000 1.021 309 N CA 2.033 55.270 53.050 0.310 0.000 0.862 309 N CB -0.392 38.291 38.487 0.326 0.000 1.018 309 N HN 0.450 nan 8.380 nan 0.000 0.429 310 S N 0.713 116.477 115.700 0.107 0.000 2.368 310 S HA 0.035 4.505 4.470 0.000 0.000 0.224 310 S C 2.126 176.780 174.600 0.090 0.000 1.029 310 S CA 0.574 58.807 58.200 0.056 0.000 0.988 310 S CB -0.060 63.105 63.200 -0.059 0.000 0.838 310 S HN 0.291 nan 8.310 nan 0.000 0.462 311 I N 1.943 122.535 120.570 0.036 0.000 2.202 311 I HA -0.175 3.995 4.170 0.000 0.000 0.242 311 I C 2.149 178.288 176.117 0.036 0.000 1.091 311 I CA 0.807 62.105 61.300 -0.004 0.000 1.368 311 I CB -0.611 37.353 38.000 -0.058 0.000 1.058 311 I HN 0.174 nan 8.210 nan 0.000 0.410 312 N N 0.502 119.237 118.700 0.058 0.000 2.049 312 N HA -0.306 4.434 4.740 0.000 0.000 0.198 312 N C 1.809 177.431 175.510 0.185 0.000 1.030 312 N CA 1.912 54.973 53.050 0.018 0.000 0.870 312 N CB -0.634 37.934 38.487 0.134 0.000 1.045 312 N HN 0.478 nan 8.380 nan 0.000 0.434 313 H N -0.354 118.949 119.070 0.387 0.000 2.293 313 H HA 0.013 4.570 4.556 0.000 0.000 0.300 313 H C 2.154 177.668 175.328 0.309 0.000 1.082 313 H CA 1.807 58.142 56.048 0.480 0.000 1.308 313 H CB 0.001 29.860 29.762 0.161 0.000 1.375 313 H HN 0.134 nan 8.280 nan 0.000 0.495 314 M N -0.003 119.819 119.600 0.371 0.000 2.151 314 M HA -0.268 4.212 4.480 0.000 0.000 0.256 314 M C 2.372 178.871 176.300 0.332 0.000 1.072 314 M CA 1.898 57.377 55.300 0.299 0.000 1.090 314 M CB -0.431 32.121 32.600 -0.079 0.000 1.294 314 M HN 0.363 nan 8.290 nan 0.000 0.415 315 I N -1.216 119.440 120.570 0.143 0.000 2.151 315 I HA -0.336 3.835 4.170 0.000 0.000 0.243 315 I C 2.386 178.525 176.117 0.037 0.000 1.080 315 I CA 1.620 62.937 61.300 0.028 0.000 1.339 315 I CB -0.612 37.293 38.000 -0.160 0.000 1.039 315 I HN 0.198 nan 8.210 nan 0.000 0.409 316 Y N 0.002 120.354 120.300 0.087 0.000 2.114 316 Y HA -0.226 4.324 4.550 0.000 0.000 0.284 316 Y C 2.588 178.562 175.900 0.124 0.000 1.143 316 Y CA 1.419 59.555 58.100 0.061 0.000 1.135 316 Y CB -1.001 37.503 38.460 0.074 0.000 0.980 316 Y HN -0.066 nan 8.280 nan 0.000 0.499 317 V N -0.210 119.894 119.914 0.316 0.000 2.427 317 V HA -0.247 3.873 4.120 0.000 0.000 0.248 317 V C 2.302 178.377 176.094 -0.032 0.000 1.051 317 V CA 1.717 64.090 62.300 0.123 0.000 1.048 317 V CB -0.927 30.909 31.823 0.021 0.000 0.666 317 V HN 0.430 nan 8.190 nan 0.000 0.456 318 A N -0.029 122.770 122.820 -0.035 0.000 1.883 318 A HA -0.134 4.186 4.320 0.000 0.000 0.217 318 A C 2.462 179.916 177.584 -0.216 0.000 1.186 318 A CA 2.341 54.219 52.037 -0.264 0.000 0.624 318 A CB -1.160 17.719 19.000 -0.201 0.000 0.822 318 A HN 0.791 nan 8.150 nan 0.000 0.444 319 A N -0.078 122.703 122.820 -0.065 0.000 1.892 319 A HA 0.040 4.360 4.320 0.000 0.000 0.218 319 A C 2.549 180.183 177.584 0.084 0.000 1.188 319 A CA 2.627 54.648 52.037 -0.027 0.000 0.631 319 A CB -1.213 17.741 19.000 -0.077 0.000 0.822 319 A HN 1.225 nan 8.150 nan 0.000 0.447 320 A N -0.519 122.424 122.820 0.206 0.000 1.940 320 A HA -0.114 4.206 4.320 0.000 0.000 0.219 320 A C 2.128 179.688 177.584 -0.041 0.000 1.176 320 A CA 1.710 53.822 52.037 0.125 0.000 0.631 320 A CB -0.572 18.464 19.000 0.061 0.000 0.814 320 A HN 0.526 nan 8.150 nan 0.000 0.446 321 I N -0.632 119.864 120.570 -0.123 0.000 2.500 321 I HA -0.132 4.038 4.170 0.000 0.000 0.252 321 I C 2.025 178.035 176.117 -0.177 0.000 1.142 321 I CA 0.639 61.847 61.300 -0.154 0.000 1.451 321 I CB -0.100 37.721 38.000 -0.299 0.000 1.093 321 I HN 0.253 nan 8.210 nan 0.000 0.430 322 L N 0.134 121.186 121.223 -0.285 0.000 2.376 322 L HA -0.157 4.183 4.340 0.000 0.000 0.219 322 L C 2.396 179.241 176.870 -0.042 0.000 1.133 322 L CA 0.991 55.668 54.840 -0.271 0.000 0.816 322 L CB -0.333 41.536 42.059 -0.317 0.000 0.933 322 L HN 0.393 nan 8.230 nan 0.000 0.449 323 Q N -0.329 119.473 119.800 0.004 0.000 2.297 323 Q HA -0.019 4.321 4.340 0.000 0.000 0.203 323 Q C 2.248 178.288 176.000 0.066 0.000 0.931 323 Q CA 0.858 56.691 55.803 0.050 0.000 0.885 323 Q CB 0.252 29.039 28.738 0.082 0.000 0.991 323 Q HN 0.449 nan 8.270 nan 0.000 0.498 324 A N -0.278 122.571 122.820 0.049 0.000 1.968 324 A HA -0.140 4.181 4.320 0.000 0.000 0.217 324 A C 1.507 179.149 177.584 0.096 0.000 1.169 324 A CA 0.827 52.885 52.037 0.035 0.000 0.638 324 A CB -0.630 18.303 19.000 -0.112 0.000 0.812 324 A HN 0.462 nan 8.150 nan 0.000 0.446 325 Y N -0.205 120.100 120.300 0.009 0.000 2.200 325 Y HA -0.141 4.409 4.550 0.000 0.000 0.290 325 Y C 2.438 178.396 175.900 0.097 0.000 1.137 325 Y CA 1.713 59.849 58.100 0.061 0.000 1.163 325 Y CB -0.226 38.292 38.460 0.097 0.000 0.988 325 Y HN 0.494 nan 8.280 nan 0.000 0.518 326 E N -0.084 120.246 120.200 0.216 0.000 2.110 326 E HA -0.173 4.177 4.350 0.000 0.000 0.193 326 E C 1.700 178.364 176.600 0.107 0.000 0.988 326 E CA 1.406 57.889 56.400 0.140 0.000 0.804 326 E CB -0.116 29.639 29.700 0.092 0.000 0.745 326 E HN 0.395 nan 8.360 nan 0.000 0.458 327 S N -1.036 114.730 115.700 0.110 0.000 2.710 327 S HA 0.036 4.506 4.470 0.000 0.000 0.224 327 S C 0.641 175.194 174.600 -0.078 0.000 0.948 327 S CA -0.236 57.977 58.200 0.021 0.000 0.949 327 S CB -0.067 63.124 63.200 -0.015 0.000 0.778 327 S HN 0.336 nan 8.310 nan 0.000 0.498 328 H N 0.748 119.810 119.070 -0.013 0.000 3.078 328 H HA 0.289 4.845 4.556 0.000 0.000 0.263 328 H C 0.327 175.655 175.328 0.000 0.000 1.177 328 H CA -0.262 55.772 56.048 -0.023 0.000 1.128 328 H CB 0.184 29.903 29.762 -0.072 0.000 1.623 328 H HN 0.392 nan 8.280 nan 0.000 0.592 329 N N 1.299 120.067 118.700 0.115 0.000 2.714 329 N HA -0.169 4.571 4.740 0.000 0.000 0.250 329 N C -0.885 174.691 175.510 0.109 0.000 1.117 329 N CA 0.552 53.656 53.050 0.090 0.000 0.719 329 N CB -1.537 36.981 38.487 0.052 0.000 1.081 329 N HN 0.095 nan 8.380 nan 0.000 0.557 330 V N 0.977 120.981 119.914 0.150 0.000 2.427 330 V HA 0.527 4.647 4.120 0.000 0.000 0.286 330 V C -1.593 174.663 176.094 0.271 0.000 1.034 330 V CA -1.401 61.010 62.300 0.185 0.000 0.893 330 V CB 1.504 33.428 31.823 0.168 0.000 0.982 330 V HN 0.079 nan 8.190 nan 0.000 0.452 331 P HA 0.126 nan 4.420 nan 0.000 0.272 331 P C -1.338 176.074 177.300 0.187 0.000 1.223 331 P CA -0.159 63.046 63.100 0.175 0.000 0.784 331 P CB 0.636 32.397 31.700 0.102 0.000 0.923 332 Y N 0.878 121.144 120.300 -0.057 0.000 2.342 332 Y HA 0.175 4.725 4.550 0.000 0.000 0.338 332 Y C 1.494 177.328 175.900 -0.111 0.000 0.965 332 Y CA 0.228 58.170 58.100 -0.262 0.000 1.159 332 Y CB 1.057 39.243 38.460 -0.456 0.000 1.157 332 Y HN 0.304 nan 8.280 nan 0.000 0.486 333 T N 3.003 117.368 114.554 -0.316 0.000 2.639 333 T HA 0.074 4.424 4.350 0.000 0.000 0.261 333 T C 0.876 175.531 174.700 -0.076 0.000 1.053 333 T CA 1.356 63.359 62.100 -0.162 0.000 1.158 333 T CB -0.331 68.431 68.868 -0.177 0.000 0.863 333 T HN 0.803 nan 8.240 nan 0.000 0.413 334 G N 0.557 109.276 108.800 -0.135 0.000 3.211 334 G HA2 0.390 4.350 3.960 0.000 0.000 0.167 334 G HA3 0.390 4.350 3.960 0.000 0.000 0.167 334 G C -0.741 174.293 174.900 0.224 0.000 1.212 334 G CA -0.597 44.522 45.100 0.031 0.000 0.928 334 G HN 0.288 nan 8.290 nan 0.000 0.607 335 N N 0.068 118.893 118.700 0.208 0.000 2.497 335 N HA 0.064 4.804 4.740 0.000 0.000 0.271 335 N C 1.624 177.301 175.510 0.279 0.000 1.142 335 N CA -0.257 52.998 53.050 0.342 0.000 0.965 335 N CB 1.773 40.448 38.487 0.312 0.000 1.077 335 N HN 0.028 nan 8.380 nan 0.000 0.462 336 V N 4.344 124.365 119.914 0.178 0.000 2.380 336 V HA -0.245 3.875 4.120 0.000 0.000 0.251 336 V C 1.312 177.112 176.094 -0.490 0.000 1.063 336 V CA 1.732 63.832 62.300 -0.333 0.000 1.055 336 V CB -0.615 30.605 31.823 -1.006 0.000 0.657 336 V HN 0.610 nan 8.190 nan 0.000 0.455 337 F N -0.710 119.173 119.950 -0.111 0.000 2.664 337 F HA 0.070 4.597 4.527 0.000 0.000 0.296 337 F C 2.331 177.964 175.800 -0.279 0.000 1.125 337 F CA 0.438 58.183 58.000 -0.426 0.000 1.444 337 F CB -0.404 37.987 39.000 -1.014 0.000 1.114 337 F HN 0.109 nan 8.300 nan 0.000 0.576 338 Q N -0.023 119.856 119.800 0.131 0.000 2.033 338 Q HA -0.073 4.267 4.340 0.000 0.000 0.196 338 Q C 2.368 178.412 176.000 0.074 0.000 0.970 338 Q CA 1.268 57.183 55.803 0.186 0.000 0.828 338 Q CB -0.193 28.677 28.738 0.220 0.000 0.895 338 Q HN 0.222 nan 8.270 nan 0.000 0.440 339 V N 0.552 120.488 119.914 0.036 0.000 2.229 339 V HA -0.160 3.960 4.120 0.000 0.000 0.243 339 V C 0.734 176.827 176.094 -0.002 0.000 1.042 339 V CA 1.291 63.584 62.300 -0.012 0.000 1.000 339 V CB -0.238 31.530 31.823 -0.091 0.000 0.637 339 V HN 0.261 nan 8.190 nan 0.000 0.446 340 E N -0.119 120.075 120.200 -0.010 0.000 2.371 340 E HA 0.321 4.671 4.350 0.000 0.000 0.257 340 E C -0.217 176.358 176.600 -0.043 0.000 1.134 340 E CA 0.169 56.553 56.400 -0.028 0.000 0.919 340 E CB 0.741 30.392 29.700 -0.083 0.000 1.025 340 E HN 0.276 nan 8.360 nan 0.000 0.438 341 T N 2.352 116.879 114.554 -0.044 0.000 2.815 341 T HA 0.484 4.834 4.350 0.000 0.000 0.289 341 T C -0.676 173.932 174.700 -0.152 0.000 1.000 341 T CA -0.644 61.394 62.100 -0.102 0.000 0.958 341 T CB 0.234 69.044 68.868 -0.096 0.000 0.944 341 T HN 0.164 nan 8.240 nan 0.000 0.442 342 I N 3.791 124.246 120.570 -0.192 0.000 2.474 342 I HA 0.452 4.622 4.170 0.000 0.000 0.294 342 I C -0.311 175.582 176.117 -0.373 0.000 1.005 342 I CA -0.875 60.355 61.300 -0.117 0.000 1.113 342 I CB 1.639 39.733 38.000 0.157 0.000 1.289 342 I HN 0.601 nan 8.210 nan 0.000 0.436 343 H N 3.580 122.629 119.070 -0.034 0.000 2.744 343 H HA 0.579 5.135 4.556 0.001 0.000 0.339 343 H C -0.260 174.976 175.328 -0.153 0.000 1.004 343 H CA -0.505 55.440 56.048 -0.170 0.000 1.257 343 H CB 2.268 31.776 29.762 -0.423 0.000 1.552 343 H HN 0.670 nan 8.280 nan 0.000 0.522 344 T N 0.230 114.831 114.554 0.078 0.000 2.909 344 T HA 0.526 4.876 4.350 0.000 0.000 0.299 344 T C -1.242 173.604 174.700 0.243 0.000 1.073 344 T CA -0.860 61.258 62.100 0.030 0.000 0.999 344 T CB 2.201 70.875 68.868 -0.323 0.000 1.098 344 T HN 0.551 nan 8.240 nan 0.000 0.477 345 Y N 1.655 122.016 120.300 0.102 0.000 2.317 345 Y HA 0.486 5.036 4.550 0.000 0.000 0.325 345 Y C 1.011 176.829 175.900 -0.138 0.000 1.066 345 Y CA 0.378 58.477 58.100 -0.002 0.000 1.203 345 Y CB 0.815 39.240 38.460 -0.059 0.000 1.127 345 Y HN 1.419 nan 8.280 nan 0.000 0.451 346 G N 3.293 112.102 108.800 0.016 0.000 2.651 346 G HA2 -0.404 3.556 3.960 0.000 0.000 0.315 346 G HA3 -0.404 3.556 3.960 0.000 0.000 0.315 346 G C 1.135 175.595 174.900 -0.732 0.000 1.258 346 G CA 0.370 45.357 45.100 -0.188 0.000 1.002 346 G HN 1.317 nan 8.290 nan 0.000 0.551 347 G N 1.066 109.366 108.800 -0.834 0.000 3.141 347 G HA2 0.537 4.497 3.960 0.000 0.000 0.218 347 G HA3 0.537 4.497 3.960 0.000 0.000 0.218 347 G C 0.688 175.503 174.900 -0.143 0.000 1.170 347 G CA 1.168 45.725 45.100 -0.905 0.000 0.769 347 G HN 1.464 nan 8.290 nan 0.000 0.546 348 G N -0.195 108.549 108.800 -0.093 0.000 2.322 348 G HA2 0.491 4.451 3.960 0.000 0.000 0.309 348 G HA3 0.491 4.451 3.960 0.000 0.000 0.309 348 G C -0.281 174.740 174.900 0.202 0.000 1.121 348 G CA 0.116 45.237 45.100 0.036 0.000 0.886 348 G HN 0.738 nan 8.290 nan 0.000 0.447 349 C N 1.036 120.492 119.300 0.260 0.000 3.318 349 C HA 0.885 5.345 4.460 0.000 0.000 0.322 349 C C -0.709 174.296 174.990 0.026 0.000 1.398 349 C CA -1.327 57.791 59.018 0.166 0.000 1.339 349 C CB 1.066 28.720 27.740 -0.144 0.000 1.668 349 C HN 0.707 nan 8.230 nan 0.000 0.462 350 M N 2.058 121.580 119.600 -0.130 0.000 2.213 350 M HA 0.591 5.071 4.480 0.000 0.000 0.286 350 M C -1.976 174.316 176.300 -0.014 0.000 1.008 350 M CA -0.091 55.122 55.300 -0.146 0.000 0.937 350 M CB 1.577 34.032 32.600 -0.242 0.000 1.600 350 M HN 0.807 nan 8.290 nan 0.000 0.450 351 Y N 1.454 121.793 120.300 0.065 0.000 2.328 351 Y HA 0.537 5.087 4.550 0.000 0.000 0.337 351 Y C 0.086 175.987 175.900 0.002 0.000 0.966 351 Y CA -1.452 56.683 58.100 0.059 0.000 1.136 351 Y CB 1.925 40.487 38.460 0.169 0.000 1.170 351 Y HN 0.523 nan 8.280 nan 0.000 0.470 352 S N 4.173 119.933 115.700 0.100 0.000 2.528 352 S HA 0.589 5.059 4.470 0.000 0.000 0.303 352 S C -0.628 173.989 174.600 0.027 0.000 1.123 352 S CA -0.621 57.590 58.200 0.019 0.000 1.138 352 S CB -0.732 62.449 63.200 -0.031 0.000 0.984 352 S HN 0.530 nan 8.310 nan 0.000 0.474 353 V N 3.025 122.967 119.914 0.046 0.000 2.837 353 V HA 0.727 4.847 4.120 0.000 0.000 0.310 353 V C 0.722 176.843 176.094 0.045 0.000 1.059 353 V CA -1.257 61.078 62.300 0.058 0.000 1.004 353 V CB 0.417 32.297 31.823 0.095 0.000 1.045 353 V HN 0.925 nan 8.190 nan 0.000 0.465 354 C N 2.110 121.446 119.300 0.060 0.000 2.605 354 C HA 0.541 5.001 4.460 0.000 0.000 0.404 354 C C -0.454 174.578 174.990 0.070 0.000 1.284 354 C CA -0.979 58.069 59.018 0.050 0.000 2.199 354 C CB 0.572 28.337 27.740 0.041 0.000 2.647 354 C HN 0.816 nan 8.230 nan 0.000 0.604 355 P HA -0.309 nan 4.420 nan 0.000 0.222 355 P C 1.815 179.152 177.300 0.061 0.000 1.159 355 P CA 3.649 66.776 63.100 0.045 0.000 0.920 355 P CB -0.325 31.391 31.700 0.027 0.000 0.793 356 A N -0.548 122.314 122.820 0.070 0.000 1.870 356 A HA -0.319 4.001 4.320 0.000 0.000 0.219 356 A C 2.374 180.017 177.584 0.098 0.000 1.286 356 A CA 3.675 55.766 52.037 0.090 0.000 0.682 356 A CB -2.038 17.058 19.000 0.160 0.000 0.844 356 A HN 0.283 nan 8.150 nan 0.000 0.460 357 T N 0.435 115.129 114.554 0.234 0.000 2.635 357 T HA -0.115 4.235 4.350 0.000 0.000 0.267 357 T C 2.180 176.993 174.700 0.188 0.000 1.040 357 T CA 2.347 64.606 62.100 0.266 0.000 1.156 357 T CB -0.828 68.240 68.868 0.333 0.000 0.863 357 T HN 0.800 nan 8.240 nan 0.000 0.430 358 A N 1.837 124.764 122.820 0.178 0.000 1.997 358 A HA -0.181 4.139 4.320 0.000 0.000 0.221 358 A C 2.577 180.289 177.584 0.212 0.000 1.172 358 A CA 2.438 54.599 52.037 0.206 0.000 0.645 358 A CB -0.997 18.087 19.000 0.140 0.000 0.813 358 A HN 0.656 nan 8.150 nan 0.000 0.454 359 S N 0.291 116.062 115.700 0.120 0.000 2.406 359 S HA -0.060 4.410 4.470 0.000 0.000 0.228 359 S C 1.477 176.142 174.600 0.108 0.000 1.020 359 S CA 1.119 59.373 58.200 0.088 0.000 0.965 359 S CB -0.689 62.525 63.200 0.024 0.000 0.798 359 S HN 0.907 nan 8.310 nan 0.000 0.488 360 I N -2.922 117.663 120.570 0.026 0.000 3.891 360 I HA 0.460 4.630 4.170 0.000 0.000 0.331 360 I C 1.375 177.456 176.117 -0.060 0.000 1.406 360 I CA -0.495 60.769 61.300 -0.060 0.000 1.139 360 I CB -0.497 37.209 38.000 -0.491 0.000 1.056 360 I HN 0.016 nan 8.210 nan 0.000 0.399 361 F N 3.795 123.720 119.950 -0.042 0.000 2.373 361 F HA -0.249 4.278 4.527 0.000 0.000 0.300 361 F C 2.712 178.420 175.800 -0.153 0.000 1.080 361 F CA 1.883 59.806 58.000 -0.129 0.000 1.417 361 F CB -0.332 38.559 39.000 -0.181 0.000 1.070 361 F HN 0.413 nan 8.300 nan 0.000 0.546 362 H N -1.730 117.285 119.070 -0.092 0.000 2.353 362 H HA -0.098 4.458 4.556 0.000 0.000 0.300 362 H C 1.718 176.932 175.328 -0.190 0.000 1.090 362 H CA 1.892 57.864 56.048 -0.127 0.000 1.327 362 H CB -1.539 28.205 29.762 -0.029 0.000 1.383 362 H HN 0.292 nan 8.280 nan 0.000 0.508 363 T N -0.433 113.546 114.554 -0.960 0.000 3.067 363 T HA 0.123 4.473 4.350 0.000 0.000 0.261 363 T C 2.202 176.646 174.700 -0.427 0.000 1.110 363 T CA 0.596 62.346 62.100 -0.584 0.000 1.113 363 T CB -0.425 68.153 68.868 -0.483 0.000 0.917 363 T HN 0.142 nan 8.240 nan 0.000 0.499 364 V N 1.768 121.380 119.914 -0.503 0.000 2.295 364 V HA -0.098 4.022 4.120 0.000 0.000 0.246 364 V C 2.574 178.361 176.094 -0.512 0.000 1.049 364 V CA 1.488 63.496 62.300 -0.488 0.000 1.024 364 V CB -0.756 30.686 31.823 -0.636 0.000 0.648 364 V HN 0.420 nan 8.190 nan 0.000 0.447 365 L N 0.311 121.163 121.223 -0.619 0.000 1.988 365 L HA -0.118 4.223 4.340 0.000 0.000 0.207 365 L C 2.821 179.500 176.870 -0.319 0.000 1.071 365 L CA 1.712 56.293 54.840 -0.431 0.000 0.744 365 L CB -1.104 40.719 42.059 -0.393 0.000 0.893 365 L HN 0.304 nan 8.230 nan 0.000 0.433 366 A N 0.612 123.263 122.820 -0.281 0.000 1.915 366 A HA -0.302 4.018 4.320 0.000 0.000 0.220 366 A C 2.112 179.513 177.584 -0.306 0.000 1.198 366 A CA 2.524 54.422 52.037 -0.231 0.000 0.647 366 A CB -0.824 18.074 19.000 -0.169 0.000 0.825 366 A HN 0.528 nan 8.150 nan 0.000 0.456 367 N N -0.097 118.376 118.700 -0.379 0.000 2.106 367 N HA -0.079 4.661 4.740 0.000 0.000 0.188 367 N C 1.684 176.607 175.510 -0.979 0.000 1.029 367 N CA 1.440 54.140 53.050 -0.583 0.000 0.848 367 N CB -0.611 37.602 38.487 -0.456 0.000 1.007 367 N HN 0.520 nan 8.380 nan 0.000 0.423 368 L N 0.700 121.550 121.223 -0.621 0.000 1.989 368 L HA -0.214 4.126 4.340 0.000 0.000 0.211 368 L C 2.663 179.337 176.870 -0.326 0.000 1.071 368 L CA 1.872 56.459 54.840 -0.422 0.000 0.749 368 L CB -1.011 40.998 42.059 -0.083 0.000 0.890 368 L HN 0.355 nan 8.230 nan 0.000 0.431 369 T N -2.943 111.459 114.554 -0.253 0.000 2.833 369 T HA -0.187 4.163 4.350 0.000 0.000 0.269 369 T C 2.038 176.631 174.700 -0.178 0.000 1.054 369 T CA 1.451 63.449 62.100 -0.169 0.000 1.135 369 T CB -0.464 68.325 68.868 -0.133 0.000 0.869 369 T HN 0.455 nan 8.240 nan 0.000 0.466 370 S N 0.070 115.615 115.700 -0.258 0.000 2.447 370 S HA -0.070 4.400 4.470 0.000 0.000 0.233 370 S C 1.683 176.254 174.600 -0.049 0.000 1.006 370 S CA 0.359 58.457 58.200 -0.169 0.000 0.957 370 S CB -0.876 62.211 63.200 -0.188 0.000 0.773 370 S HN 0.599 nan 8.310 nan 0.000 0.507 371 Y N 1.870 122.110 120.300 -0.101 0.000 2.516 371 Y HA 0.342 4.892 4.550 0.000 0.000 0.291 371 Y C 2.221 178.027 175.900 -0.157 0.000 1.131 371 Y CA -0.366 57.667 58.100 -0.111 0.000 1.281 371 Y CB -0.812 37.560 38.460 -0.147 0.000 1.013 371 Y HN 0.496 nan 8.280 nan 0.000 0.554 372 G N -0.801 107.975 108.800 -0.040 0.000 2.183 372 G HA2 -0.176 3.784 3.960 0.000 0.000 0.168 372 G HA3 -0.176 3.784 3.960 0.000 0.000 0.168 372 G C -0.122 174.686 174.900 -0.153 0.000 1.008 372 G CA -0.265 44.778 45.100 -0.095 0.000 0.677 372 G HN 0.173 nan 8.290 nan 0.000 0.498 373 L N 0.475 121.597 121.223 -0.168 0.000 2.399 373 L HA 0.651 4.991 4.340 0.000 0.000 0.265 373 L C 0.072 176.962 176.870 0.033 0.000 1.089 373 L CA -0.898 53.884 54.840 -0.097 0.000 0.802 373 L CB 1.016 43.026 42.059 -0.081 0.000 1.180 373 L HN -0.179 nan 8.230 nan 0.000 0.454 374 K N 2.466 122.951 120.400 0.142 0.000 2.484 374 K HA 0.370 4.690 4.320 0.000 0.000 0.226 374 K C -2.579 174.001 176.600 -0.033 0.000 1.031 374 K CA -1.912 54.406 56.287 0.053 0.000 1.026 374 K CB 0.921 33.447 32.500 0.043 0.000 1.412 374 K HN 0.212 nan 8.250 nan 0.000 0.492 375 P HA 0.184 nan 4.420 nan 0.000 0.279 375 P C -0.647 176.469 177.300 -0.307 0.000 1.239 375 P CA -0.115 62.565 63.100 -0.700 0.000 0.789 375 P CB 0.907 32.192 31.700 -0.691 0.000 0.933 376 T N -1.548 112.857 114.554 -0.248 0.000 3.105 376 T HA 0.616 4.966 4.350 0.000 0.000 0.321 376 T C -0.592 174.060 174.700 -0.080 0.000 1.135 376 T CA -0.443 61.596 62.100 -0.101 0.000 1.053 376 T CB 1.260 70.102 68.868 -0.043 0.000 1.133 376 T HN 0.519 nan 8.240 nan 0.000 0.463 377 A N 0.603 123.407 122.820 -0.027 0.000 2.773 377 A HA 0.389 4.709 4.320 0.000 0.000 0.277 377 A C 0.470 178.065 177.584 0.018 0.000 1.374 377 A CA -0.251 51.792 52.037 0.011 0.000 0.725 377 A CB -1.858 17.145 19.000 0.005 0.000 1.108 377 A HN 2.302 nan 8.150 nan 0.000 0.392 378 A N 1.013 123.850 122.820 0.029 0.000 2.425 378 A HA 0.584 4.904 4.320 0.000 0.000 0.249 378 A C 1.017 178.624 177.584 0.037 0.000 1.084 378 A CA 1.237 53.297 52.037 0.038 0.000 0.781 378 A CB 0.117 19.149 19.000 0.052 0.000 1.019 378 A HN 2.074 nan 8.150 nan 0.000 0.490 379 D N -0.384 120.039 120.400 0.038 0.000 3.027 379 D HA -0.131 4.509 4.640 0.000 0.000 0.219 379 D C -0.066 176.252 176.300 0.031 0.000 1.110 379 D CA 1.193 55.215 54.000 0.037 0.000 0.841 379 D CB -1.686 39.135 40.800 0.036 0.000 1.096 379 D HN 0.810 nan 8.370 nan 0.000 0.435 380 K N -0.020 120.397 120.400 0.028 0.000 4.314 380 K HA -0.239 4.081 4.320 0.000 0.000 0.270 380 K C 0.603 177.214 176.600 0.019 0.000 0.728 380 K CA 0.861 57.161 56.287 0.021 0.000 0.585 380 K CB -0.773 31.738 32.500 0.019 0.000 2.031 380 K HN 0.212 nan 8.250 nan 0.000 0.404 381 S N 1.204 116.917 115.700 0.021 0.000 2.803 381 S HA -0.022 4.449 4.470 0.000 0.000 0.228 381 S C 0.220 174.832 174.600 0.020 0.000 0.953 381 S CA 0.263 58.477 58.200 0.023 0.000 0.983 381 S CB -0.101 63.116 63.200 0.027 0.000 0.784 381 S HN 0.535 nan 8.310 nan 0.000 0.498 382 D N 0.090 120.499 120.400 0.014 0.000 2.911 382 D HA -0.229 4.411 4.640 0.000 0.000 0.201 382 D C 0.145 176.453 176.300 0.013 0.000 1.109 382 D CA 1.800 55.806 54.000 0.010 0.000 0.986 382 D CB -1.164 39.642 40.800 0.009 0.000 1.078 382 D HN 0.686 nan 8.370 nan 0.000 0.384 383 A N -0.156 122.677 122.820 0.022 0.000 2.480 383 A HA 0.558 4.878 4.320 0.000 0.000 0.289 383 A C -0.622 176.995 177.584 0.054 0.000 1.044 383 A CA -0.619 51.438 52.037 0.032 0.000 0.761 383 A CB 1.253 20.271 19.000 0.031 0.000 1.289 383 A HN 0.233 nan 8.150 nan 0.000 0.401 384 I N 3.101 123.716 120.570 0.074 0.000 2.301 384 I HA 0.460 4.630 4.170 0.000 0.000 0.292 384 I C -0.614 175.631 176.117 0.214 0.000 1.046 384 I CA -0.013 61.364 61.300 0.128 0.000 1.282 384 I CB 0.409 38.480 38.000 0.118 0.000 1.409 384 I HN 0.652 nan 8.210 nan 0.000 0.484 385 K N 6.965 127.482 120.400 0.195 0.000 2.346 385 K HA 0.640 4.960 4.320 0.000 0.000 0.238 385 K C -2.677 173.952 176.600 0.047 0.000 1.039 385 K CA -1.843 54.554 56.287 0.182 0.000 0.861 385 K CB 1.050 33.593 32.500 0.073 0.000 1.278 385 K HN 0.360 nan 8.250 nan 0.000 0.460 386 P HA 0.072 nan 4.420 nan 0.000 0.272 386 P C -0.528 176.615 177.300 -0.261 0.000 1.223 386 P CA -0.036 62.731 63.100 -0.555 0.000 0.784 386 P CB 0.767 32.175 31.700 -0.485 0.000 0.923 387 T N 0.047 114.447 114.554 -0.257 0.000 2.812 387 T HA 0.327 4.678 4.350 0.000 0.000 0.294 387 T C 0.272 174.892 174.700 -0.133 0.000 1.159 387 T CA -0.589 61.425 62.100 -0.142 0.000 1.008 387 T CB 0.924 69.737 68.868 -0.091 0.000 1.289 387 T HN 0.194 nan 8.240 nan 0.000 0.514 388 N N 0.170 118.820 118.700 -0.083 0.000 2.184 388 N HA 0.155 4.895 4.740 0.000 0.000 0.206 388 N C -0.537 174.946 175.510 -0.045 0.000 1.151 388 N CA 0.208 53.219 53.050 -0.065 0.000 0.878 388 N CB 0.792 39.253 38.487 -0.043 0.000 1.014 388 N HN 0.579 nan 8.380 nan 0.000 0.512 389 T N 2.973 117.503 114.554 -0.040 0.000 2.947 389 T HA 0.340 4.690 4.350 0.000 0.000 0.337 389 T C -2.678 172.002 174.700 -0.034 0.000 1.139 389 T CA -1.288 60.806 62.100 -0.009 0.000 0.992 389 T CB 1.846 70.725 68.868 0.018 0.000 1.043 389 T HN -0.029 nan 8.240 nan 0.000 0.498 390 P HA 0.231 nan 4.420 nan 0.000 0.264 390 P C -0.849 176.405 177.300 -0.077 0.000 1.193 390 P CA -0.205 62.735 63.100 -0.267 0.000 0.763 390 P CB 0.519 31.772 31.700 -0.745 0.000 0.810 391 V N 5.091 125.001 119.914 -0.007 0.000 2.623 391 V HA 0.623 4.743 4.120 0.000 0.000 0.304 391 V C -0.843 175.412 176.094 0.269 0.000 1.054 391 V CA -0.359 62.038 62.300 0.162 0.000 0.882 391 V CB 1.527 33.413 31.823 0.106 0.000 1.002 391 V HN 0.421 nan 8.190 nan 0.000 0.424 392 F N 4.780 124.811 119.950 0.135 0.000 2.639 392 F HA 0.582 5.109 4.527 -0.000 0.000 0.320 392 F C -0.114 175.741 175.800 0.092 0.000 1.128 392 F CA -1.001 57.064 58.000 0.109 0.000 1.037 392 F CB 1.484 40.574 39.000 0.149 0.000 1.288 392 F HN 0.388 nan 8.300 nan 0.000 0.463 393 L N 6.992 127.871 121.223 -0.574 0.000 3.677 393 L HA -0.343 3.997 4.340 0.000 0.000 0.464 393 L C 0.540 177.277 176.870 -0.221 0.000 1.278 393 L CA 0.881 55.407 54.840 -0.523 0.000 0.806 393 L CB -0.948 40.712 42.059 -0.666 0.000 1.610 393 L HN 0.753 nan 8.230 nan 0.000 0.867 394 K N -2.228 118.098 120.400 -0.123 0.000 3.048 394 K HA -0.205 4.115 4.320 0.000 0.000 0.274 394 K C 0.218 176.817 176.600 -0.001 0.000 1.098 394 K CA 1.157 57.416 56.287 -0.048 0.000 0.807 394 K CB -1.203 31.253 32.500 -0.073 0.000 1.217 394 K HN 0.521 nan 8.250 nan 0.000 0.477 395 R N 0.380 120.915 120.500 0.058 0.000 2.668 395 R HA 0.410 4.750 4.340 0.000 0.000 0.279 395 R C 0.035 176.459 176.300 0.206 0.000 0.976 395 R CA -0.568 55.594 56.100 0.103 0.000 0.978 395 R CB 1.417 31.772 30.300 0.091 0.000 1.133 395 R HN -0.091 nan 8.270 nan 0.000 0.484 396 T N 3.056 117.706 114.554 0.160 0.000 2.842 396 T HA 0.366 4.716 4.350 0.000 0.000 0.308 396 T C -0.102 174.737 174.700 0.232 0.000 1.041 396 T CA -0.436 61.792 62.100 0.213 0.000 0.964 396 T CB 0.023 68.957 68.868 0.111 0.000 0.972 396 T HN 0.254 nan 8.240 nan 0.000 0.460 397 F N 2.825 122.796 119.950 0.035 0.000 2.590 397 F HA 0.203 4.731 4.527 0.001 0.000 0.389 397 F C 1.339 177.143 175.800 0.007 0.000 1.049 397 F CA 0.163 58.182 58.000 0.031 0.000 1.199 397 F CB 0.363 39.387 39.000 0.041 0.000 1.058 397 F HN 0.327 nan 8.300 nan 0.000 0.556 398 T N 3.089 117.705 114.554 0.103 0.000 2.952 398 T HA 0.169 4.519 4.350 0.000 0.000 0.305 398 T C -0.840 173.872 174.700 0.019 0.000 1.064 398 T CA -0.854 61.271 62.100 0.042 0.000 1.008 398 T CB 1.728 70.579 68.868 -0.028 0.000 1.078 398 T HN 0.394 nan 8.240 nan 0.000 0.459 399 Q N 2.316 122.131 119.800 0.025 0.000 2.332 399 Q HA 0.532 4.872 4.340 0.000 0.000 0.263 399 Q C 0.068 176.063 176.000 -0.008 0.000 0.979 399 Q CA 0.053 55.863 55.803 0.012 0.000 0.885 399 Q CB 0.528 29.277 28.738 0.017 0.000 1.218 399 Q HN 0.843 nan 8.270 nan 0.000 0.405 400 T N 0.339 114.885 114.554 -0.014 0.000 2.865 400 T HA 0.531 4.882 4.350 0.000 0.000 0.294 400 T C -2.074 172.617 174.700 -0.015 0.000 1.119 400 T CA -1.875 60.218 62.100 -0.013 0.000 1.007 400 T CB 1.271 70.128 68.868 -0.018 0.000 1.225 400 T HN 0.403 nan 8.240 nan 0.000 0.515 401 P HA -0.075 nan 4.420 nan 0.000 0.222 401 P C 0.809 177.963 177.300 -0.243 0.000 1.142 401 P CA 1.124 64.155 63.100 -0.116 0.000 0.788 401 P CB -0.093 31.532 31.700 -0.124 0.000 0.767 402 H N -1.927 117.090 119.070 -0.089 0.000 2.520 402 H HA 0.363 4.918 4.556 -0.001 0.000 0.284 402 H C 1.282 176.542 175.328 -0.113 0.000 1.037 402 H CA 0.595 56.575 56.048 -0.112 0.000 1.168 402 H CB 0.194 29.853 29.762 -0.173 0.000 1.497 402 H HN 0.104 nan 8.280 nan 0.000 0.547 403 G N 1.239 110.039 108.800 -0.001 0.000 2.631 403 G HA2 -0.221 3.740 3.960 0.000 0.000 0.504 403 G HA3 -0.221 3.740 3.960 0.000 0.000 0.504 403 G C -0.601 174.293 174.900 -0.010 0.000 1.306 403 G CA -0.805 44.296 45.100 0.001 0.000 0.897 403 G HN 0.134 nan 8.290 nan 0.000 0.520 404 I N 1.426 122.006 120.570 0.017 0.000 2.683 404 I HA 0.335 4.505 4.170 0.000 0.000 0.286 404 I C 0.978 177.075 176.117 -0.033 0.000 1.175 404 I CA 0.502 61.813 61.300 0.019 0.000 1.429 404 I CB 0.447 38.496 38.000 0.081 0.000 1.371 404 I HN 0.442 nan 8.210 nan 0.000 0.569 405 R N 4.721 125.174 120.500 -0.078 0.000 2.744 405 R HA 0.682 5.023 4.340 0.000 0.000 0.279 405 R C -1.001 175.180 176.300 -0.197 0.000 0.977 405 R CA -1.192 54.840 56.100 -0.114 0.000 0.906 405 R CB 1.932 32.141 30.300 -0.153 0.000 1.197 405 R HN 0.592 nan 8.270 nan 0.000 0.463 406 A N 3.855 126.547 122.820 -0.212 0.000 2.415 406 A HA 0.359 4.679 4.320 0.000 0.000 0.309 406 A C 0.173 177.702 177.584 -0.092 0.000 1.356 406 A CA -0.409 51.463 52.037 -0.275 0.000 0.998 406 A CB -0.167 18.642 19.000 -0.318 0.000 1.145 406 A HN 0.531 nan 8.150 nan 0.000 0.545 407 L N 3.147 124.302 121.223 -0.112 0.000 2.361 407 L HA 0.156 4.496 4.340 0.000 0.000 0.278 407 L C 0.085 176.958 176.870 0.006 0.000 1.113 407 L CA -0.644 54.100 54.840 -0.159 0.000 0.849 407 L CB 0.911 42.698 42.059 -0.453 0.000 1.155 407 L HN 0.638 nan 8.230 nan 0.000 0.452 408 L N 4.798 126.081 121.223 0.100 0.000 2.410 408 L HA 0.062 4.402 4.340 0.000 0.000 0.273 408 L C 0.703 177.675 176.870 0.170 0.000 1.144 408 L CA 0.283 55.153 54.840 0.051 0.000 0.863 408 L CB 0.283 42.251 42.059 -0.151 0.000 1.140 408 L HN 0.514 nan 8.230 nan 0.000 0.463 409 D N 3.930 124.381 120.400 0.085 0.000 2.923 409 D HA -0.235 4.405 4.640 0.000 0.000 0.220 409 D C 1.310 177.622 176.300 0.021 0.000 1.099 409 D CA 0.353 54.396 54.000 0.072 0.000 0.807 409 D CB 0.582 41.392 40.800 0.015 0.000 1.155 409 D HN 0.728 nan 8.370 nan 0.000 0.524 410 I N 4.210 124.780 120.570 0.001 0.000 2.286 410 I HA -0.290 3.880 4.170 0.000 0.000 0.248 410 I C 2.550 178.621 176.117 -0.077 0.000 1.115 410 I CA 2.059 63.285 61.300 -0.123 0.000 1.392 410 I CB -0.269 37.628 38.000 -0.171 0.000 1.065 410 I HN 0.706 nan 8.210 nan 0.000 0.418 411 T N -2.990 111.534 114.554 -0.050 0.000 2.674 411 T HA -0.183 4.167 4.350 0.000 0.000 0.265 411 T C 2.139 176.778 174.700 -0.102 0.000 1.039 411 T CA 1.678 63.741 62.100 -0.061 0.000 1.150 411 T CB -1.066 67.763 68.868 -0.064 0.000 0.864 411 T HN 0.267 nan 8.240 nan 0.000 0.427 412 S N 1.305 116.930 115.700 -0.126 0.000 2.392 412 S HA -0.075 4.395 4.470 0.000 0.000 0.232 412 S C 1.914 176.485 174.600 -0.048 0.000 1.041 412 S CA 1.599 59.727 58.200 -0.120 0.000 1.026 412 S CB -0.618 62.519 63.200 -0.104 0.000 0.845 412 S HN 0.529 nan 8.310 nan 0.000 0.465 413 I N 0.965 121.523 120.570 -0.020 0.000 2.188 413 I HA -0.148 4.022 4.170 0.000 0.000 0.237 413 I C 2.902 179.098 176.117 0.132 0.000 1.073 413 I CA 1.627 62.963 61.300 0.060 0.000 1.359 413 I CB -1.224 36.804 38.000 0.046 0.000 1.083 413 I HN 0.399 nan 8.210 nan 0.000 0.412 414 T N 0.366 114.946 114.554 0.043 0.000 2.778 414 T HA -0.256 4.094 4.350 0.000 0.000 0.269 414 T C 1.932 176.681 174.700 0.081 0.000 1.050 414 T CA 1.481 63.581 62.100 0.001 0.000 1.137 414 T CB -0.702 68.110 68.868 -0.094 0.000 0.860 414 T HN 0.452 nan 8.240 nan 0.000 0.468 415 R N 1.295 121.878 120.500 0.140 0.000 2.193 415 R HA -0.058 4.282 4.340 0.000 0.000 0.229 415 R C 2.156 178.591 176.300 0.225 0.000 1.110 415 R CA 1.366 57.621 56.100 0.258 0.000 0.988 415 R CB -0.616 29.790 30.300 0.177 0.000 0.871 415 R HN 0.475 nan 8.270 nan 0.000 0.458 416 Q N -0.197 119.671 119.800 0.114 0.000 2.500 416 Q HA -0.039 4.301 4.340 0.000 0.000 0.213 416 Q C 0.855 176.720 176.000 -0.225 0.000 0.974 416 Q CA 1.048 56.833 55.803 -0.030 0.000 0.918 416 Q CB 0.020 28.675 28.738 -0.140 0.000 0.980 416 Q HN 0.437 nan 8.270 nan 0.000 0.505 417 F N -2.492 117.312 119.950 -0.243 0.000 2.437 417 F HA 0.001 4.528 4.527 -0.001 0.000 0.288 417 F C 1.177 176.787 175.800 -0.316 0.000 1.085 417 F CA 0.203 58.008 58.000 -0.325 0.000 1.430 417 F CB 0.169 38.832 39.000 -0.561 0.000 1.120 417 F HN 0.035 nan 8.300 nan 0.000 0.556 418 Y N -2.021 118.229 120.300 -0.084 0.000 2.457 418 Y HA -0.016 4.535 4.550 0.001 0.000 0.292 418 Y C -0.138 175.538 175.900 -0.374 0.000 1.125 418 Y CA -0.268 57.628 58.100 -0.340 0.000 1.254 418 Y CB -0.709 37.425 38.460 -0.542 0.000 1.012 418 Y HN -0.101 nan 8.280 nan 0.000 0.555 419 W N 0.566 121.977 121.300 0.185 0.000 2.819 419 W HA 0.638 5.298 4.660 0.000 0.000 0.337 419 W C -1.203 175.409 176.519 0.154 0.000 1.077 419 W CA -1.178 56.282 57.345 0.192 0.000 1.226 419 W CB 1.337 30.912 29.460 0.191 0.000 1.419 419 W HN -0.422 nan 8.180 nan 0.000 0.502 420 L N 0.760 122.240 121.223 0.428 0.000 2.362 420 L HA 0.666 5.006 4.340 0.000 0.000 0.271 420 L C -0.306 176.659 176.870 0.159 0.000 1.002 420 L CA -1.376 53.586 54.840 0.203 0.000 0.818 420 L CB 1.492 43.500 42.059 -0.086 0.000 1.298 420 L HN 0.301 nan 8.230 nan 0.000 0.420 421 K N 1.732 122.092 120.400 -0.066 0.000 2.276 421 K HA 0.701 5.021 4.320 0.000 0.000 0.283 421 K C -0.360 176.145 176.600 -0.159 0.000 1.044 421 K CA 0.383 56.419 56.287 -0.418 0.000 0.944 421 K CB 1.153 33.423 32.500 -0.382 0.000 1.012 421 K HN 0.935 nan 8.250 nan 0.000 0.472 422 A N 3.217 125.967 122.820 -0.118 0.000 4.087 422 A HA 0.165 4.485 4.320 0.000 0.000 0.137 422 A C -1.483 176.103 177.584 0.002 0.000 1.114 422 A CA -0.628 51.392 52.037 -0.027 0.000 2.001 422 A CB 0.163 19.137 19.000 -0.043 0.000 2.638 422 A HN 0.800 nan 8.150 nan 0.000 1.123 423 N N 1.894 120.623 118.700 0.048 0.000 2.422 423 N HA 0.239 4.979 4.740 0.000 0.000 0.264 423 N C -0.507 175.098 175.510 0.158 0.000 1.063 423 N CA -0.381 52.715 53.050 0.077 0.000 0.959 423 N CB 0.819 39.332 38.487 0.043 0.000 1.087 423 N HN 0.567 nan 8.380 nan 0.000 0.483 424 R N 0.910 121.434 120.500 0.041 0.000 2.538 424 R HA 0.014 4.354 4.340 0.000 0.000 0.273 424 R C -0.152 176.150 176.300 0.003 0.000 0.967 424 R CA 0.936 57.026 56.100 -0.017 0.000 1.101 424 R CB 0.208 30.488 30.300 -0.033 0.000 0.908 424 R HN 0.722 nan 8.270 nan 0.000 0.411 425 T N -0.151 114.354 114.554 -0.082 0.000 2.733 425 T HA 0.121 4.471 4.350 0.000 0.000 0.312 425 T C -0.150 174.468 174.700 -0.137 0.000 1.590 425 T CA -0.604 61.467 62.100 -0.049 0.000 1.005 425 T CB 1.522 70.415 68.868 0.041 0.000 1.528 425 T HN 0.428 nan 8.240 nan 0.000 0.496 426 S N 1.309 117.004 115.700 -0.008 0.000 2.597 426 S HA 0.275 4.745 4.470 0.000 0.000 0.224 426 S C -0.343 174.358 174.600 0.168 0.000 0.955 426 S CA -0.189 58.085 58.200 0.124 0.000 0.933 426 S CB 0.004 63.321 63.200 0.195 0.000 0.788 426 S HN 0.536 nan 8.310 nan 0.000 0.488 427 D N 1.064 121.491 120.400 0.045 0.000 2.364 427 D HA 0.327 4.968 4.640 0.000 0.000 0.251 427 D C -2.435 173.874 176.300 0.014 0.000 1.282 427 D CA -1.930 52.121 54.000 0.084 0.000 0.927 427 D CB 1.458 42.313 40.800 0.092 0.000 1.267 427 D HN -0.146 nan 8.370 nan 0.000 0.531 428 P HA -0.075 nan 4.420 nan 0.000 0.234 428 P C 0.855 178.252 177.300 0.162 0.000 1.162 428 P CA 0.769 63.923 63.100 0.091 0.000 0.759 428 P CB 0.237 32.143 31.700 0.343 0.000 0.813 429 S N -3.092 112.691 115.700 0.138 0.000 2.524 429 S HA 0.108 4.578 4.470 0.000 0.000 0.215 429 S C 0.923 175.613 174.600 0.150 0.000 0.986 429 S CA -0.384 57.893 58.200 0.129 0.000 0.911 429 S CB -0.737 62.519 63.200 0.094 0.000 0.805 429 S HN 0.137 nan 8.310 nan 0.000 0.501 430 S N 2.217 118.034 115.700 0.196 0.000 2.600 430 S HA 0.469 4.940 4.470 0.000 0.000 0.265 430 S C -3.013 171.739 174.600 0.255 0.000 1.325 430 S CA -1.219 57.107 58.200 0.210 0.000 1.002 430 S CB -0.395 62.931 63.200 0.211 0.000 0.921 430 S HN 0.092 nan 8.310 nan 0.000 0.554 431 P HA 0.283 nan 4.420 nan 0.000 0.271 431 P C -2.384 174.912 177.300 -0.006 0.000 1.233 431 P CA -0.993 62.162 63.100 0.092 0.000 0.764 431 P CB -0.301 31.441 31.700 0.070 0.000 0.825 432 P HA 0.198 nan 4.420 nan 0.000 0.286 432 P C -0.727 176.574 177.300 0.001 0.000 1.269 432 P CA -0.426 62.442 63.100 -0.387 0.000 0.787 432 P CB 0.858 32.327 31.700 -0.385 0.000 0.920 433 A N 4.773 127.555 122.820 -0.064 0.000 2.396 433 A HA 0.541 4.862 4.320 0.000 0.000 0.279 433 A C -0.194 177.466 177.584 0.125 0.000 1.165 433 A CA -0.102 51.942 52.037 0.012 0.000 0.824 433 A CB -0.988 17.997 19.000 -0.024 0.000 1.100 433 A HN 0.591 nan 8.150 nan 0.000 0.516 434 F N 0.450 120.353 119.950 -0.078 0.000 2.668 434 F HA 0.593 5.119 4.527 -0.000 0.000 0.309 434 F C -0.902 174.876 175.800 -0.037 0.000 1.117 434 F CA -1.483 56.482 58.000 -0.058 0.000 0.951 434 F CB 1.320 40.287 39.000 -0.055 0.000 1.323 434 F HN 0.348 nan 8.300 nan 0.000 0.451 435 D N 2.234 122.659 120.400 0.042 0.000 2.374 435 D HA 0.254 4.894 4.640 0.000 0.000 0.240 435 D C 1.064 177.367 176.300 0.005 0.000 1.229 435 D CA 0.079 54.051 54.000 -0.046 0.000 0.895 435 D CB 0.997 41.807 40.800 0.017 0.000 1.046 435 D HN 0.692 nan 8.370 nan 0.000 0.498 436 R N 2.134 122.526 120.500 -0.181 0.000 2.091 436 R HA -0.180 4.160 4.340 0.000 0.000 0.238 436 R C 1.977 178.313 176.300 0.059 0.000 1.136 436 R CA 1.498 57.575 56.100 -0.039 0.000 0.959 436 R CB 0.078 30.296 30.300 -0.136 0.000 0.856 436 R HN 0.606 nan 8.270 nan 0.000 0.437 437 Q N -0.572 119.238 119.800 0.016 0.000 2.045 437 Q HA -0.234 4.106 4.340 0.000 0.000 0.206 437 Q C 2.151 178.182 176.000 0.052 0.000 0.991 437 Q CA 2.024 57.844 55.803 0.029 0.000 0.851 437 Q CB -0.183 28.561 28.738 0.010 0.000 0.911 437 Q HN 0.423 nan 8.270 nan 0.000 0.418 438 A N 0.721 123.578 122.820 0.061 0.000 1.872 438 A HA -0.192 4.128 4.320 0.000 0.000 0.214 438 A C 1.994 179.624 177.584 0.077 0.000 1.187 438 A CA 1.493 53.568 52.037 0.063 0.000 0.614 438 A CB -0.476 18.558 19.000 0.057 0.000 0.826 438 A HN 0.199 nan 8.150 nan 0.000 0.442 439 R N 0.747 121.326 120.500 0.131 0.000 2.094 439 R HA -0.130 4.210 4.340 0.000 0.000 0.239 439 R C 2.232 178.565 176.300 0.056 0.000 1.137 439 R CA 2.474 58.635 56.100 0.101 0.000 0.943 439 R CB -1.079 29.342 30.300 0.200 0.000 0.850 439 R HN 0.408 nan 8.270 nan 0.000 0.433 440 S N 0.051 115.802 115.700 0.086 0.000 2.372 440 S HA -0.265 4.206 4.470 0.000 0.000 0.227 440 S C 1.964 176.594 174.600 0.051 0.000 1.044 440 S CA 1.599 59.838 58.200 0.064 0.000 1.050 440 S CB -0.689 62.551 63.200 0.067 0.000 0.901 440 S HN 0.622 nan 8.310 nan 0.000 0.447 441 A N 0.958 123.811 122.820 0.054 0.000 1.898 441 A HA -0.155 4.166 4.320 0.000 0.000 0.216 441 A C 2.120 179.742 177.584 0.063 0.000 1.181 441 A CA 1.608 53.682 52.037 0.062 0.000 0.620 441 A CB -0.760 18.275 19.000 0.058 0.000 0.819 441 A HN 0.550 nan 8.150 nan 0.000 0.442 442 Q N -0.240 119.582 119.800 0.036 0.000 2.045 442 Q HA -0.199 4.141 4.340 0.000 0.000 0.206 442 Q C 1.994 177.986 176.000 -0.014 0.000 0.991 442 Q CA 1.961 57.773 55.803 0.015 0.000 0.851 442 Q CB -0.250 28.476 28.738 -0.020 0.000 0.911 442 Q HN 0.697 nan 8.270 nan 0.000 0.418 443 L N 0.450 121.627 121.223 -0.077 0.000 2.217 443 L HA -0.117 4.223 4.340 0.000 0.000 0.211 443 L C 2.381 179.280 176.870 0.048 0.000 1.107 443 L CA 0.596 55.348 54.840 -0.147 0.000 0.783 443 L CB -0.435 41.466 42.059 -0.263 0.000 0.919 443 L HN 0.211 nan 8.230 nan 0.000 0.442 444 E N 0.472 120.720 120.200 0.080 0.000 2.110 444 E HA -0.188 4.162 4.350 0.000 0.000 0.193 444 E C 1.774 178.468 176.600 0.156 0.000 0.988 444 E CA 0.998 57.466 56.400 0.112 0.000 0.804 444 E CB -0.308 29.447 29.700 0.090 0.000 0.745 444 E HN 0.516 nan 8.360 nan 0.000 0.458 445 N N 1.197 120.024 118.700 0.212 0.000 2.120 445 N HA -0.128 4.612 4.740 0.000 0.000 0.188 445 N C 1.779 177.530 175.510 0.401 0.000 1.024 445 N CA 1.481 54.754 53.050 0.372 0.000 0.852 445 N CB -0.448 38.245 38.487 0.343 0.000 1.003 445 N HN 0.172 nan 8.380 nan 0.000 0.424 446 A N 0.831 123.839 122.820 0.315 0.000 1.933 446 A HA -0.029 4.291 4.320 0.000 0.000 0.218 446 A C 2.355 180.169 177.584 0.383 0.000 1.175 446 A CA 0.868 53.129 52.037 0.372 0.000 0.628 446 A CB -0.603 18.532 19.000 0.224 0.000 0.814 446 A HN 0.212 nan 8.150 nan 0.000 0.444 447 L N -0.963 120.444 121.223 0.307 0.000 2.072 447 L HA -0.122 4.218 4.340 0.000 0.000 0.205 447 L C 3.084 180.115 176.870 0.269 0.000 1.079 447 L CA 0.910 55.917 54.840 0.278 0.000 0.752 447 L CB -0.548 41.660 42.059 0.247 0.000 0.906 447 L HN 0.409 nan 8.230 nan 0.000 0.436 448 A N -0.751 122.139 122.820 0.115 0.000 1.986 448 A HA -0.263 4.057 4.320 0.000 0.000 0.220 448 A C 2.070 179.689 177.584 0.060 0.000 1.171 448 A CA 1.603 53.581 52.037 -0.098 0.000 0.640 448 A CB -0.842 17.797 19.000 -0.602 0.000 0.811 448 A HN 0.454 nan 8.150 nan 0.000 0.451 449 Y N -1.023 119.444 120.300 0.279 0.000 2.337 449 Y HA 0.041 4.592 4.550 0.002 0.000 0.293 449 Y C 2.781 178.812 175.900 0.218 0.000 1.123 449 Y CA 0.483 58.767 58.100 0.307 0.000 1.201 449 Y CB 0.034 38.711 38.460 0.363 0.000 1.011 449 Y HN 0.370 nan 8.280 nan 0.000 0.545 450 A N -0.489 122.566 122.820 0.391 0.000 1.970 450 A HA -0.151 4.169 4.320 0.000 0.000 0.216 450 A C 2.315 180.163 177.584 0.440 0.000 1.170 450 A CA 1.292 53.517 52.037 0.313 0.000 0.645 450 A CB -0.957 18.135 19.000 0.152 0.000 0.816 450 A HN 0.461 nan 8.150 nan 0.000 0.447 451 S N -0.000 115.952 115.700 0.420 0.000 2.380 451 S HA -0.300 4.170 4.470 0.000 0.000 0.229 451 S C 1.772 176.434 174.600 0.103 0.000 1.043 451 S CA 1.709 60.056 58.200 0.245 0.000 1.038 451 S CB -0.620 62.528 63.200 -0.086 0.000 0.872 451 S HN 0.538 nan 8.310 nan 0.000 0.456 452 Q N 0.569 120.338 119.800 -0.052 0.000 2.368 452 Q HA -0.107 4.233 4.340 0.000 0.000 0.210 452 Q C 1.565 177.539 176.000 -0.043 0.000 0.982 452 Q CA 1.441 57.144 55.803 -0.167 0.000 0.884 452 Q CB -0.798 27.701 28.738 -0.399 0.000 0.933 452 Q HN 0.831 nan 8.270 nan 0.000 0.460 453 H N -0.448 118.648 119.070 0.043 0.000 2.555 453 H HA 0.254 4.810 4.556 -0.000 0.000 0.269 453 H C 0.748 176.116 175.328 0.067 0.000 0.988 453 H CA 0.770 56.854 56.048 0.060 0.000 1.178 453 H CB 0.122 29.934 29.762 0.082 0.000 1.373 453 H HN 0.371 nan 8.280 nan 0.000 0.588 454 G N -0.072 108.835 108.800 0.178 0.000 2.705 454 G HA2 -0.173 3.788 3.960 0.000 0.000 0.686 454 G HA3 -0.173 3.788 3.960 0.000 0.000 0.686 454 G C -1.885 173.070 174.900 0.092 0.000 1.285 454 G CA -0.546 44.619 45.100 0.108 0.000 0.800 454 G HN 0.079 nan 8.290 nan 0.000 0.611 455 P HA 0.028 nan 4.420 nan 0.000 0.225 455 P C 2.014 179.307 177.300 -0.011 0.000 1.148 455 P CA 0.994 64.004 63.100 -0.151 0.000 0.779 455 P CB 0.209 31.702 31.700 -0.345 0.000 0.780 456 V N -0.755 119.167 119.914 0.014 0.000 2.244 456 V HA -0.220 3.900 4.120 0.000 0.000 0.244 456 V C 2.346 178.468 176.094 0.046 0.000 1.042 456 V CA 1.714 64.028 62.300 0.023 0.000 1.006 456 V CB -0.961 30.871 31.823 0.016 0.000 0.641 456 V HN 0.097 nan 8.190 nan 0.000 0.446 457 M N -1.061 118.584 119.600 0.074 0.000 2.229 457 M HA -0.095 4.385 4.480 0.000 0.000 0.264 457 M C 2.188 178.512 176.300 0.039 0.000 1.063 457 M CA 1.621 56.946 55.300 0.042 0.000 1.114 457 M CB -1.096 31.532 32.600 0.046 0.000 1.387 457 M HN 0.445 nan 8.290 nan 0.000 0.420 458 F N 1.788 121.735 119.950 -0.004 0.000 2.161 458 F HA -0.267 4.261 4.527 0.001 0.000 0.300 458 F C 1.923 177.709 175.800 -0.024 0.000 1.089 458 F CA 2.104 60.112 58.000 0.014 0.000 1.282 458 F CB -0.243 38.813 39.000 0.093 0.000 1.010 458 F HN 0.195 nan 8.300 nan 0.000 0.485 459 D N -0.467 119.997 120.400 0.107 0.000 2.097 459 D HA -0.186 4.454 4.640 0.000 0.000 0.195 459 D C 2.155 178.376 176.300 -0.132 0.000 0.989 459 D CA 2.215 56.216 54.000 0.003 0.000 0.827 459 D CB -0.344 40.478 40.800 0.038 0.000 0.966 459 D HN 0.337 nan 8.370 nan 0.000 0.456 460 T N -0.588 113.897 114.554 -0.114 0.000 2.680 460 T HA -0.216 4.135 4.350 0.000 0.000 0.268 460 T C 2.090 176.637 174.700 -0.255 0.000 1.033 460 T CA 1.545 63.559 62.100 -0.144 0.000 1.152 460 T CB -0.720 68.075 68.868 -0.122 0.000 0.859 460 T HN 0.011 nan 8.240 nan 0.000 0.452 461 V N 1.082 120.772 119.914 -0.373 0.000 2.283 461 V HA -0.094 4.026 4.120 0.000 0.000 0.243 461 V C 2.743 178.494 176.094 -0.572 0.000 1.039 461 V CA 1.634 63.607 62.300 -0.544 0.000 1.016 461 V CB -0.624 30.877 31.823 -0.537 0.000 0.650 461 V HN 0.346 nan 8.190 nan 0.000 0.449 462 R N -0.426 119.693 120.500 -0.635 0.000 2.134 462 R HA -0.305 4.035 4.340 0.000 0.000 0.248 462 R C 2.448 178.626 176.300 -0.203 0.000 1.143 462 R CA 2.256 58.112 56.100 -0.407 0.000 0.957 462 R CB -0.264 29.858 30.300 -0.297 0.000 0.867 462 R HN 0.417 nan 8.270 nan 0.000 0.441 463 Q N 0.490 120.190 119.800 -0.166 0.000 2.014 463 Q HA -0.166 4.174 4.340 0.000 0.000 0.207 463 Q C 2.030 178.011 176.000 -0.032 0.000 0.993 463 Q CA 2.126 57.888 55.803 -0.068 0.000 0.850 463 Q CB -0.348 28.363 28.738 -0.044 0.000 0.916 463 Q HN 0.483 nan 8.270 nan 0.000 0.417 464 I N -0.399 120.100 120.570 -0.118 0.000 2.226 464 I HA -0.283 3.887 4.170 0.000 0.000 0.245 464 I C 2.174 178.263 176.117 -0.047 0.000 1.100 464 I CA 1.120 62.383 61.300 -0.062 0.000 1.374 464 I CB -0.853 36.845 38.000 -0.504 0.000 1.057 464 I HN 0.126 nan 8.210 nan 0.000 0.413 465 A N 1.903 124.558 122.820 -0.275 0.000 1.851 465 A HA -0.192 4.128 4.320 0.000 0.000 0.216 465 A C 2.357 180.008 177.584 0.111 0.000 1.195 465 A CA 1.688 53.735 52.037 0.015 0.000 0.622 465 A CB -0.997 18.016 19.000 0.022 0.000 0.831 465 A HN 0.354 nan 8.150 nan 0.000 0.444 466 I N -0.439 120.156 120.570 0.040 0.000 2.145 466 I HA -0.333 3.837 4.170 0.000 0.000 0.244 466 I C 2.659 178.794 176.117 0.031 0.000 1.075 466 I CA 1.928 63.252 61.300 0.041 0.000 1.332 466 I CB -0.254 37.758 38.000 0.020 0.000 1.033 466 I HN 0.314 nan 8.210 nan 0.000 0.410 467 K N 0.524 120.938 120.400 0.024 0.000 2.057 467 K HA -0.156 4.164 4.320 0.000 0.000 0.207 467 K C 2.037 178.565 176.600 -0.121 0.000 1.049 467 K CA 2.064 58.302 56.287 -0.082 0.000 0.931 467 K CB -0.247 32.172 32.500 -0.135 0.000 0.714 467 K HN 0.343 nan 8.250 nan 0.000 0.440 468 T N 0.853 115.449 114.554 0.070 0.000 2.777 468 T HA -0.067 4.283 4.350 0.000 0.000 0.266 468 T C 1.984 176.733 174.700 0.082 0.000 1.040 468 T CA 1.273 63.453 62.100 0.133 0.000 1.141 468 T CB -0.293 68.853 68.868 0.463 0.000 0.868 468 T HN 0.312 nan 8.240 nan 0.000 0.444 469 A N 1.461 124.343 122.820 0.104 0.000 1.917 469 A HA -0.246 4.074 4.320 0.000 0.000 0.219 469 A C 2.301 179.912 177.584 0.045 0.000 1.182 469 A CA 2.189 54.276 52.037 0.083 0.000 0.633 469 A CB -0.911 18.140 19.000 0.085 0.000 0.819 469 A HN 0.573 nan 8.150 nan 0.000 0.448 470 Q N -0.884 118.923 119.800 0.012 0.000 1.921 470 Q HA -0.095 4.245 4.340 0.000 0.000 0.208 470 Q C 2.130 178.119 176.000 -0.020 0.000 0.994 470 Q CA 2.168 57.963 55.803 -0.013 0.000 0.857 470 Q CB -0.800 27.912 28.738 -0.043 0.000 0.925 470 Q HN 0.514 nan 8.270 nan 0.000 0.421 471 G N -0.017 108.744 108.800 -0.065 0.000 2.507 471 G HA2 -0.292 3.668 3.960 0.000 0.000 0.221 471 G HA3 -0.292 3.668 3.960 0.000 0.000 0.221 471 G C 0.835 175.738 174.900 0.006 0.000 1.119 471 G CA 1.312 46.370 45.100 -0.069 0.000 0.751 471 G HN 0.556 nan 8.290 nan 0.000 0.574 472 E N -0.332 119.898 120.200 0.049 0.000 2.481 472 E HA 0.304 4.655 4.350 0.000 0.000 0.198 472 E C 1.316 178.013 176.600 0.161 0.000 1.027 472 E CA 0.049 56.535 56.400 0.145 0.000 0.900 472 E CB 0.345 30.129 29.700 0.141 0.000 0.993 472 E HN 0.343 nan 8.360 nan 0.000 0.482 473 G N 2.246 111.098 108.800 0.085 0.000 2.359 473 G HA2 -0.264 3.696 3.960 0.000 0.000 0.298 473 G HA3 -0.264 3.696 3.960 0.000 0.000 0.298 473 G C -0.279 174.663 174.900 0.072 0.000 1.030 473 G CA 0.275 45.411 45.100 0.061 0.000 1.149 473 G HN 0.127 nan 8.290 nan 0.000 0.512 474 L N -0.956 120.313 121.223 0.078 0.000 2.381 474 L HA 0.716 5.057 4.340 0.000 0.000 0.268 474 L C 0.255 177.161 176.870 0.061 0.000 0.997 474 L CA -1.469 53.417 54.840 0.078 0.000 0.818 474 L CB 2.344 44.464 42.059 0.102 0.000 1.310 474 L HN -0.042 nan 8.230 nan 0.000 0.416 475 V N 3.789 123.734 119.914 0.052 0.000 2.383 475 V HA 0.428 4.548 4.120 0.000 0.000 0.275 475 V C 0.114 176.242 176.094 0.056 0.000 1.036 475 V CA -0.282 62.047 62.300 0.048 0.000 0.889 475 V CB 1.453 33.297 31.823 0.035 0.000 0.985 475 V HN 0.490 nan 8.190 nan 0.000 0.459 476 L N 4.473 125.735 121.223 0.065 0.000 2.334 476 L HA 0.530 4.870 4.340 0.000 0.000 0.272 476 L C 0.712 177.622 176.870 0.068 0.000 1.020 476 L CA -0.383 54.502 54.840 0.074 0.000 0.812 476 L CB 2.031 44.150 42.059 0.100 0.000 1.264 476 L HN 0.408 nan 8.230 nan 0.000 0.439 477 V N 0.761 120.713 119.914 0.064 0.000 2.721 477 V HA -0.041 4.080 4.120 0.000 0.000 0.236 477 V C 1.361 177.497 176.094 0.069 0.000 1.116 477 V CA 0.718 63.050 62.300 0.053 0.000 1.148 477 V CB -0.256 31.586 31.823 0.032 0.000 0.886 477 V HN 0.782 nan 8.190 nan 0.000 0.490 478 N N 0.379 119.122 118.700 0.073 0.000 2.724 478 N HA -0.138 4.602 4.740 0.000 0.000 0.198 478 N C 1.446 177.076 175.510 0.200 0.000 1.301 478 N CA 0.937 54.046 53.050 0.098 0.000 0.942 478 N CB -0.037 38.494 38.487 0.073 0.000 1.033 478 N HN 0.375 nan 8.380 nan 0.000 0.447 479 T N -0.355 114.302 114.554 0.172 0.000 3.023 479 T HA -0.104 4.246 4.350 0.000 0.000 0.266 479 T C 0.500 175.362 174.700 0.271 0.000 1.093 479 T CA 0.262 62.478 62.100 0.193 0.000 1.129 479 T CB -0.223 68.719 68.868 0.123 0.000 0.899 479 T HN 0.296 nan 8.240 nan 0.000 0.491 480 N N 0.204 119.025 118.700 0.202 0.000 2.411 480 N HA -0.019 4.721 4.740 0.000 0.000 0.259 480 N C 0.735 176.338 175.510 0.155 0.000 1.103 480 N CA -0.247 52.910 53.050 0.178 0.000 0.954 480 N CB 0.456 38.994 38.487 0.085 0.000 1.085 480 N HN 0.274 nan 8.380 nan 0.000 0.485 481 Y N 4.661 124.963 120.300 0.002 0.000 2.193 481 Y HA -0.273 4.276 4.550 -0.000 0.000 0.285 481 Y C 1.341 177.045 175.900 -0.328 0.000 1.166 481 Y CA 1.938 59.764 58.100 -0.457 0.000 1.181 481 Y CB -0.021 38.069 38.460 -0.617 0.000 0.976 481 Y HN 0.642 nan 8.280 nan 0.000 0.520 482 D N -0.635 119.579 120.400 -0.310 0.000 2.144 482 D HA -0.166 4.474 4.640 0.000 0.000 0.200 482 D C 2.130 178.251 176.300 -0.298 0.000 0.978 482 D CA 1.149 54.951 54.000 -0.331 0.000 0.833 482 D CB -0.126 40.607 40.800 -0.111 0.000 0.961 482 D HN 0.371 nan 8.370 nan 0.000 0.470 483 Q N 0.286 119.975 119.800 -0.185 0.000 2.002 483 Q HA -0.138 4.203 4.340 0.000 0.000 0.204 483 Q C 2.266 178.152 176.000 -0.191 0.000 0.988 483 Q CA 1.422 57.143 55.803 -0.138 0.000 0.843 483 Q CB -0.801 27.907 28.738 -0.050 0.000 0.908 483 Q HN 0.276 nan 8.270 nan 0.000 0.420 484 A N 1.334 124.043 122.820 -0.185 0.000 1.896 484 A HA -0.235 4.085 4.320 0.000 0.000 0.220 484 A C 2.323 179.719 177.584 -0.313 0.000 1.206 484 A CA 1.840 53.768 52.037 -0.181 0.000 0.647 484 A CB -1.085 17.898 19.000 -0.029 0.000 0.828 484 A HN 0.362 nan 8.150 nan 0.000 0.455 485 L N -1.163 119.775 121.223 -0.475 0.000 2.013 485 L HA -0.284 4.056 4.340 0.000 0.000 0.212 485 L C 3.129 179.813 176.870 -0.310 0.000 1.073 485 L CA 1.482 56.064 54.840 -0.430 0.000 0.753 485 L CB -0.665 41.082 42.059 -0.520 0.000 0.890 485 L HN 0.502 nan 8.230 nan 0.000 0.432 486 A N -0.066 122.591 122.820 -0.271 0.000 1.930 486 A HA -0.190 4.130 4.320 0.000 0.000 0.217 486 A C 2.419 179.851 177.584 -0.253 0.000 1.175 486 A CA 2.068 53.979 52.037 -0.209 0.000 0.627 486 A CB -0.878 18.031 19.000 -0.153 0.000 0.815 486 A HN 0.561 nan 8.150 nan 0.000 0.443 487 T N -3.591 110.766 114.554 -0.328 0.000 2.777 487 T HA -0.225 4.125 4.350 0.000 0.000 0.266 487 T C 1.872 176.047 174.700 -0.875 0.000 1.040 487 T CA 1.517 63.322 62.100 -0.492 0.000 1.141 487 T CB -0.640 67.953 68.868 -0.459 0.000 0.868 487 T HN 0.427 nan 8.240 nan 0.000 0.444 488 Y N 2.798 122.569 120.300 -0.880 0.000 2.165 488 Y HA -0.157 4.393 4.550 -0.001 0.000 0.286 488 Y C 2.514 178.186 175.900 -0.380 0.000 1.155 488 Y CA 1.763 59.356 58.100 -0.845 0.000 1.164 488 Y CB -0.660 37.480 38.460 -0.533 0.000 0.978 488 Y HN 0.251 nan 8.280 nan 0.000 0.513 489 N N 0.168 118.760 118.700 -0.180 0.000 2.166 489 N HA -0.168 4.572 4.740 0.000 0.000 0.186 489 N C 1.793 177.281 175.510 -0.037 0.000 1.019 489 N CA 1.441 54.439 53.050 -0.087 0.000 0.856 489 N CB -0.497 37.912 38.487 -0.130 0.000 0.993 489 N HN 0.458 nan 8.380 nan 0.000 0.426 490 A N -0.481 122.268 122.820 -0.118 0.000 1.969 490 A HA -0.086 4.234 4.320 0.000 0.000 0.218 490 A C 1.735 179.365 177.584 0.077 0.000 1.169 490 A CA 0.950 52.970 52.037 -0.027 0.000 0.635 490 A CB -0.964 18.006 19.000 -0.051 0.000 0.810 490 A HN 0.440 nan 8.150 nan 0.000 0.445 491 W N -1.021 120.173 121.300 -0.178 0.000 2.338 491 W HA -0.150 4.511 4.660 0.002 0.000 0.304 491 W C 2.031 178.439 176.519 -0.184 0.000 1.212 491 W CA 0.692 57.894 57.345 -0.239 0.000 1.264 491 W CB -1.560 27.628 29.460 -0.453 0.000 1.142 491 W HN 0.417 nan 8.180 nan 0.000 0.512 492 F N 0.936 120.846 119.950 -0.066 0.000 2.134 492 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 492 F C 2.372 178.170 175.800 -0.004 0.000 1.097 492 F CA 2.084 60.058 58.000 -0.044 0.000 1.264 492 F CB -0.605 38.384 39.000 -0.017 0.000 1.001 492 F HN -0.144 nan 8.300 nan 0.000 0.479 493 I N -2.743 117.907 120.570 0.134 0.000 3.226 493 I HA 0.298 4.468 4.170 0.000 0.000 0.277 493 I C 1.590 177.713 176.117 0.011 0.000 1.243 493 I CA 1.075 62.423 61.300 0.080 0.000 1.459 493 I CB -0.355 37.715 38.000 0.117 0.000 1.093 493 I HN 0.294 nan 8.210 nan 0.000 0.453 494 G N 1.651 110.448 108.800 -0.005 0.000 4.492 494 G HA2 -0.276 3.685 3.960 0.000 0.000 0.265 494 G HA3 -0.276 3.685 3.960 0.000 0.000 0.265 494 G C 0.885 175.742 174.900 -0.072 0.000 1.702 494 G CA -0.094 44.997 45.100 -0.014 0.000 1.266 494 G HN 0.733 nan 8.290 nan 0.000 0.643 495 G N 0.994 109.703 108.800 -0.152 0.000 3.820 495 G HA2 0.541 4.502 3.960 0.000 0.000 0.293 495 G HA3 0.541 4.502 3.960 0.000 0.000 0.293 495 G C 0.007 174.816 174.900 -0.152 0.000 1.152 495 G CA 1.301 46.297 45.100 -0.173 0.000 0.921 495 G HN 1.032 nan 8.290 nan 0.000 0.544 496 T N 0.063 114.554 114.554 -0.105 0.000 2.916 496 T HA 0.436 4.787 4.350 0.000 0.000 0.298 496 T C -0.574 174.102 174.700 -0.040 0.000 1.031 496 T CA -0.498 61.559 62.100 -0.071 0.000 0.993 496 T CB 2.348 71.180 68.868 -0.061 0.000 1.045 496 T HN 0.417 nan 8.240 nan 0.000 0.454 497 V N 2.470 122.367 119.914 -0.029 0.000 2.333 497 V HA 0.716 4.836 4.120 0.000 0.000 0.274 497 V C -2.132 173.956 176.094 -0.009 0.000 1.028 497 V CA -1.358 60.931 62.300 -0.018 0.000 0.851 497 V CB 0.094 31.907 31.823 -0.017 0.000 1.000 497 V HN 0.702 nan 8.190 nan 0.000 0.456 498 P HA 0.306 nan 4.420 nan 0.000 0.342 498 P C -0.299 177.002 177.300 0.002 0.000 1.384 498 P CA -0.464 62.638 63.100 0.002 0.000 0.837 498 P CB -0.056 31.647 31.700 0.006 0.000 2.025 499 D N 0.448 120.851 120.400 0.005 0.000 4.662 499 D HA -0.107 4.533 4.640 0.000 0.000 0.116 499 D C -1.875 174.427 176.300 0.003 0.000 0.953 499 D CA -0.009 53.994 54.000 0.004 0.000 0.570 499 D CB -0.208 40.595 40.800 0.005 0.000 1.127 499 D HN 0.160 nan 8.370 nan 0.000 0.595 500 P HA -0.039 nan 4.420 nan 0.000 0.257 500 P C -0.561 176.739 177.300 0.000 0.000 1.189 500 P CA -0.074 63.027 63.100 0.001 0.000 0.780 500 P CB 0.302 32.003 31.700 0.002 0.000 0.772 501 V N 3.818 123.732 119.914 -0.001 0.000 2.583 501 V HA 0.696 4.816 4.120 0.000 0.000 0.287 501 V C 1.112 177.205 176.094 -0.002 0.000 1.051 501 V CA 0.793 63.092 62.300 -0.002 0.000 1.010 501 V CB 0.802 32.623 31.823 -0.003 0.000 0.988 501 V HN 0.983 nan 8.190 nan 0.000 0.478 502 G N 0.000 108.799 108.800 -0.001 0.000 5.446 502 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 502 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 502 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 502 G HN 0.000 nan 8.290 nan 0.000 0.925