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 1q2q_1_A DATA FIRST_RESID 2 DATA SEQUENCE PVSEKQLAEV VANTVTPLMK AQSVPGMAVA VIYQGKPHYY TFGKADIAAN DATA SEQUENCE KPVTPQTLFE LGSISKTFTG VLGGDAIARG EISLDDPVTR YWPQLTGKQW DATA SEQUENCE QGIRMLDLAT YTAGGLPLQV PDEVTDNASL LRFYQNWQPQ WKPGTTRLYA DATA SEQUENCE NASIGLFGAL AVKPSGMPYE QAMTTRVLKP LKLDHTWINV PKAEEAHYAW DATA SEQUENCE GYRDGKAVRA VRXXXXMLDA QAYGVKTNVQ DMANWVMANM APENVADASL DATA SEQUENCE KQGIALAQSR YWRIGSMYQG LGWEMLNWPV EANTVVEGSD SKVALAPLPV DATA SEQUENCE AEVNPPAPPV KASWVHKTGS TGGFGSYVAF IPEKQIGIVM LANTSYPNPA DATA SEQUENCE RVEAAYHILE ALQ 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.369 177.300 0.115 0.000 1.155 2 P CA 0.000 63.159 63.100 0.098 0.000 0.800 2 P CB 0.000 31.732 31.700 0.053 0.000 0.726 3 V N 1.626 121.620 119.914 0.133 0.000 2.617 3 V HA 0.147 4.247 4.120 -0.034 0.000 0.304 3 V C 1.448 177.625 176.094 0.138 0.000 1.040 3 V CA 0.962 63.304 62.300 0.071 0.000 1.149 3 V CB 0.763 32.544 31.823 -0.071 0.000 0.914 3 V HN 0.756 nan 8.190 nan 0.000 0.487 4 S N 3.552 119.301 115.700 0.082 0.000 2.614 4 S HA 0.235 4.684 4.470 -0.034 0.000 0.265 4 S C 0.900 175.556 174.600 0.094 0.000 1.303 4 S CA -0.494 57.764 58.200 0.096 0.000 1.000 4 S CB 0.920 64.158 63.200 0.063 0.000 0.935 4 S HN 0.730 nan 8.310 nan 0.000 0.551 5 E N 0.723 120.994 120.200 0.119 0.000 2.118 5 E HA -0.210 4.120 4.350 -0.034 0.000 0.195 5 E C 1.887 178.547 176.600 0.100 0.000 0.992 5 E CA 1.277 57.749 56.400 0.120 0.000 0.804 5 E CB -0.166 29.635 29.700 0.168 0.000 0.741 5 E HN 0.774 nan 8.360 nan 0.000 0.458 6 K N 1.181 121.630 120.400 0.082 0.000 2.032 6 K HA -0.240 4.059 4.320 -0.034 0.000 0.209 6 K C 2.145 178.772 176.600 0.045 0.000 1.048 6 K CA 1.632 57.960 56.287 0.069 0.000 0.927 6 K CB 0.061 32.594 32.500 0.055 0.000 0.712 6 K HN 0.067 nan 8.250 nan 0.000 0.441 7 Q N 0.224 120.039 119.800 0.024 0.000 2.079 7 Q HA -0.161 4.159 4.340 -0.034 0.000 0.200 7 Q C 2.143 178.118 176.000 -0.041 0.000 0.974 7 Q CA 1.293 57.093 55.803 -0.005 0.000 0.840 7 Q CB -0.147 28.583 28.738 -0.013 0.000 0.898 7 Q HN 0.263 nan 8.270 nan 0.000 0.430 8 L N 0.781 121.968 121.223 -0.060 0.000 2.046 8 L HA -0.130 4.190 4.340 -0.034 0.000 0.208 8 L C 2.149 178.943 176.870 -0.128 0.000 1.077 8 L CA 2.088 56.850 54.840 -0.131 0.000 0.747 8 L CB -0.835 41.120 42.059 -0.175 0.000 0.896 8 L HN 0.130 nan 8.230 nan 0.000 0.432 9 A N -0.804 122.009 122.820 -0.012 0.000 1.940 9 A HA -0.234 4.065 4.320 -0.034 0.000 0.219 9 A C 2.167 179.720 177.584 -0.050 0.000 1.176 9 A CA 1.880 53.915 52.037 -0.004 0.000 0.631 9 A CB -0.619 18.496 19.000 0.192 0.000 0.814 9 A HN 0.634 nan 8.150 nan 0.000 0.446 10 E N -0.439 119.754 120.200 -0.013 0.000 2.047 10 E HA -0.118 4.211 4.350 -0.034 0.000 0.191 10 E C 2.006 178.595 176.600 -0.018 0.000 0.987 10 E CA 1.276 57.677 56.400 0.001 0.000 0.799 10 E CB -0.290 29.417 29.700 0.012 0.000 0.752 10 E HN 0.394 nan 8.360 nan 0.000 0.449 11 V N 1.054 120.938 119.914 -0.050 0.000 2.332 11 V HA -0.241 3.859 4.120 -0.034 0.000 0.248 11 V C 2.332 178.397 176.094 -0.048 0.000 1.055 11 V CA 1.342 63.619 62.300 -0.039 0.000 1.038 11 V CB -0.385 31.384 31.823 -0.089 0.000 0.651 11 V HN 0.129 nan 8.190 nan 0.000 0.450 12 V N 0.159 119.982 119.914 -0.152 0.000 2.270 12 V HA -0.227 3.872 4.120 -0.034 0.000 0.245 12 V C 2.714 178.768 176.094 -0.066 0.000 1.043 12 V CA 2.017 64.208 62.300 -0.181 0.000 1.014 12 V CB -1.118 30.385 31.823 -0.534 0.000 0.645 12 V HN 0.553 nan 8.190 nan 0.000 0.447 13 A N 0.497 123.328 122.820 0.019 0.000 1.908 13 A HA -0.241 4.058 4.320 -0.034 0.000 0.218 13 A C 1.991 179.586 177.584 0.018 0.000 1.181 13 A CA 2.152 54.271 52.037 0.135 0.000 0.627 13 A CB -0.723 18.390 19.000 0.188 0.000 0.818 13 A HN 0.594 nan 8.150 nan 0.000 0.445 14 N N -0.499 118.208 118.700 0.013 0.000 2.381 14 N HA -0.066 4.653 4.740 -0.034 0.000 0.182 14 N C 1.508 177.003 175.510 -0.024 0.000 1.025 14 N CA 1.703 54.757 53.050 0.005 0.000 0.888 14 N CB -0.457 38.047 38.487 0.028 0.000 0.965 14 N HN 0.543 nan 8.380 nan 0.000 0.438 15 T N -0.290 114.248 114.554 -0.028 0.000 2.901 15 T HA 0.086 4.415 4.350 -0.034 0.000 0.252 15 T C 2.120 176.748 174.700 -0.120 0.000 1.035 15 T CA 0.342 62.415 62.100 -0.046 0.000 1.142 15 T CB -0.074 68.827 68.868 0.054 0.000 0.869 15 T HN -0.084 nan 8.240 nan 0.000 0.442 16 V N 1.826 121.616 119.914 -0.206 0.000 2.379 16 V HA -0.137 3.962 4.120 -0.034 0.000 0.245 16 V C 2.790 178.659 176.094 -0.374 0.000 1.044 16 V CA 1.814 63.890 62.300 -0.374 0.000 1.036 16 V CB -1.027 30.344 31.823 -0.754 0.000 0.664 16 V HN 0.503 nan 8.190 nan 0.000 0.453 17 T N 0.558 114.936 114.554 -0.294 0.000 2.708 17 T HA -0.094 4.235 4.350 -0.034 0.000 0.266 17 T C -0.046 174.578 174.700 -0.126 0.000 1.037 17 T CA 1.930 63.926 62.100 -0.172 0.000 1.146 17 T CB -1.184 67.658 68.868 -0.044 0.000 0.865 17 T HN 0.446 nan 8.240 nan 0.000 0.435 18 P HA -0.006 nan 4.420 nan 0.000 0.217 18 P C 1.634 178.863 177.300 -0.118 0.000 1.150 18 P CA 0.528 63.572 63.100 -0.093 0.000 0.832 18 P CB -0.170 31.480 31.700 -0.083 0.000 0.787 19 L N -1.219 119.913 121.223 -0.152 0.000 2.017 19 L HA -0.128 4.192 4.340 -0.034 0.000 0.208 19 L C 2.338 179.062 176.870 -0.243 0.000 1.073 19 L CA 2.018 56.743 54.840 -0.190 0.000 0.745 19 L CB -1.118 40.820 42.059 -0.201 0.000 0.894 19 L HN -0.139 nan 8.230 nan 0.000 0.432 20 M N -0.812 118.648 119.600 -0.234 0.000 2.159 20 M HA -0.225 4.234 4.480 -0.034 0.000 0.263 20 M C 2.338 178.555 176.300 -0.138 0.000 1.063 20 M CA 1.859 57.036 55.300 -0.204 0.000 1.110 20 M CB -0.381 32.124 32.600 -0.158 0.000 1.374 20 M HN 0.252 nan 8.290 nan 0.000 0.411 21 K N 0.716 121.051 120.400 -0.108 0.000 2.001 21 K HA -0.112 4.187 4.320 -0.034 0.000 0.208 21 K C 1.970 178.525 176.600 -0.074 0.000 1.048 21 K CA 1.508 57.751 56.287 -0.074 0.000 0.932 21 K CB -0.104 32.362 32.500 -0.056 0.000 0.715 21 K HN 0.259 nan 8.250 nan 0.000 0.437 22 A N 0.581 123.350 122.820 -0.084 0.000 2.015 22 A HA -0.109 4.190 4.320 -0.034 0.000 0.219 22 A C 1.686 179.231 177.584 -0.065 0.000 1.163 22 A CA 1.148 53.145 52.037 -0.066 0.000 0.646 22 A CB -0.124 18.837 19.000 -0.065 0.000 0.806 22 A HN 0.369 nan 8.150 nan 0.000 0.448 23 Q N -0.730 119.005 119.800 -0.109 0.000 2.247 23 Q HA 0.189 4.509 4.340 -0.034 0.000 0.204 23 Q C 0.048 176.010 176.000 -0.064 0.000 0.872 23 Q CA 0.506 56.253 55.803 -0.092 0.000 0.951 23 Q CB 0.312 28.914 28.738 -0.226 0.000 1.099 23 Q HN 0.544 nan 8.270 nan 0.000 0.501 24 S N -0.018 115.641 115.700 -0.067 0.000 3.706 24 S HA -0.106 4.343 4.470 -0.034 0.000 0.363 24 S C 0.078 174.651 174.600 -0.045 0.000 0.999 24 S CA 0.312 58.483 58.200 -0.047 0.000 1.143 24 S CB -1.550 61.639 63.200 -0.020 0.000 0.902 24 S HN 0.196 nan 8.310 nan 0.000 0.476 25 V N 1.558 121.427 119.914 -0.076 0.000 2.385 25 V HA 0.167 4.266 4.120 -0.034 0.000 0.269 25 V C -0.898 175.185 176.094 -0.018 0.000 1.043 25 V CA -1.479 60.796 62.300 -0.042 0.000 0.906 25 V CB 1.117 32.869 31.823 -0.118 0.000 0.995 25 V HN 0.164 nan 8.190 nan 0.000 0.467 26 P HA 0.068 nan 4.420 nan 0.000 0.216 26 P C 0.631 177.976 177.300 0.074 0.000 1.153 26 P CA 0.935 64.009 63.100 -0.044 0.000 0.844 26 P CB 0.309 31.887 31.700 -0.203 0.000 0.787 27 G N -1.254 107.653 108.800 0.178 0.000 2.706 27 G HA2 0.699 4.638 3.960 -0.034 0.000 0.297 27 G HA3 0.699 4.638 3.960 -0.034 0.000 0.297 27 G C -1.557 173.577 174.900 0.389 0.000 1.403 27 G CA -0.409 44.867 45.100 0.293 0.000 0.954 27 G HN -0.169 nan 8.290 nan 0.000 0.500 28 M N 0.666 120.511 119.600 0.408 0.000 2.433 28 M HA 0.615 5.074 4.480 -0.034 0.000 0.290 28 M C -0.626 175.922 176.300 0.413 0.000 1.173 28 M CA -0.796 54.712 55.300 0.346 0.000 0.905 28 M CB 2.734 35.462 32.600 0.213 0.000 1.692 28 M HN 0.717 nan 8.290 nan 0.000 0.462 29 A N 2.724 125.664 122.820 0.201 0.000 2.331 29 A HA 0.860 5.160 4.320 -0.034 0.000 0.320 29 A C -1.027 176.690 177.584 0.222 0.000 1.138 29 A CA -0.614 51.566 52.037 0.238 0.000 0.790 29 A CB 1.143 20.256 19.000 0.188 0.000 1.206 29 A HN 0.586 nan 8.150 nan 0.000 0.470 30 V N 1.161 121.296 119.914 0.370 0.000 2.735 30 V HA 0.806 4.906 4.120 -0.034 0.000 0.310 30 V C 0.194 176.539 176.094 0.418 0.000 1.061 30 V CA -0.318 62.208 62.300 0.376 0.000 0.913 30 V CB 1.788 33.879 31.823 0.447 0.000 1.005 30 V HN 1.298 nan 8.190 nan 0.000 0.428 31 A N 3.789 126.801 122.820 0.320 0.000 2.356 31 A HA 0.868 5.167 4.320 -0.034 0.000 0.310 31 A C -1.048 176.644 177.584 0.180 0.000 1.075 31 A CA -0.542 51.623 52.037 0.213 0.000 0.746 31 A CB 1.686 20.795 19.000 0.181 0.000 1.221 31 A HN 0.661 nan 8.150 nan 0.000 0.443 32 V N 4.104 124.135 119.914 0.195 0.000 2.417 32 V HA 0.356 4.455 4.120 -0.034 0.000 0.291 32 V C -0.454 175.736 176.094 0.160 0.000 1.024 32 V CA -0.573 61.823 62.300 0.161 0.000 0.861 32 V CB 1.432 33.351 31.823 0.160 0.000 0.985 32 V HN 0.702 nan 8.190 nan 0.000 0.436 33 I N 5.660 126.287 120.570 0.095 0.000 2.304 33 I HA 0.450 4.600 4.170 -0.034 0.000 0.291 33 I C -0.675 175.552 176.117 0.184 0.000 1.018 33 I CA -0.396 60.959 61.300 0.092 0.000 1.260 33 I CB 0.513 38.498 38.000 -0.025 0.000 1.390 33 I HN 0.690 nan 8.210 nan 0.000 0.475 34 Y N 5.456 125.810 120.300 0.090 0.000 2.480 34 Y HA 0.235 4.765 4.550 -0.035 0.000 0.329 34 Y C 0.078 176.048 175.900 0.117 0.000 1.127 34 Y CA -1.035 57.090 58.100 0.042 0.000 1.037 34 Y CB 1.345 39.760 38.460 -0.075 0.000 1.320 34 Y HN 0.705 nan 8.280 nan 0.000 0.446 35 Q N 4.204 123.794 119.800 -0.349 0.000 2.475 35 Q HA -0.222 4.098 4.340 -0.034 0.000 0.280 35 Q C 0.930 176.838 176.000 -0.154 0.000 1.234 35 Q CA 1.409 56.995 55.803 -0.361 0.000 0.873 35 Q CB -1.608 26.814 28.738 -0.527 0.000 1.256 35 Q HN 1.664 nan 8.270 nan 0.000 0.475 36 G N -0.008 108.730 108.800 -0.104 0.000 2.157 36 G HA2 -0.343 3.596 3.960 -0.034 0.000 0.248 36 G HA3 -0.343 3.596 3.960 -0.034 0.000 0.248 36 G C -0.054 174.789 174.900 -0.094 0.000 0.979 36 G CA 0.692 45.735 45.100 -0.094 0.000 0.650 36 G HN 0.581 nan 8.290 nan 0.000 0.529 37 K N -0.837 119.508 120.400 -0.093 0.000 2.556 37 K HA 0.712 5.012 4.320 -0.034 0.000 0.274 37 K C -3.488 172.973 176.600 -0.232 0.000 0.966 37 K CA -2.128 54.053 56.287 -0.177 0.000 0.865 37 K CB 3.058 35.407 32.500 -0.252 0.000 1.444 37 K HN 0.003 nan 8.250 nan 0.000 0.433 38 P HA 0.211 nan 4.420 nan 0.000 0.284 38 P C -1.180 175.659 177.300 -0.769 0.000 1.253 38 P CA -0.111 62.713 63.100 -0.459 0.000 0.800 38 P CB 0.566 31.938 31.700 -0.546 0.000 0.961 39 H N 2.300 121.073 119.070 -0.496 0.000 2.589 39 H HA 0.308 4.843 4.556 -0.034 0.000 0.335 39 H C -0.664 174.256 175.328 -0.680 0.000 1.019 39 H CA -0.274 55.498 56.048 -0.461 0.000 1.213 39 H CB 0.957 30.656 29.762 -0.105 0.000 1.472 39 H HN 0.406 nan 8.280 nan 0.000 0.508 40 Y N 2.241 122.275 120.300 -0.443 0.000 2.360 40 Y HA 0.298 4.827 4.550 -0.035 0.000 0.337 40 Y C -0.616 174.871 175.900 -0.689 0.000 1.039 40 Y CA -0.742 57.135 58.100 -0.373 0.000 1.109 40 Y CB 1.111 39.470 38.460 -0.169 0.000 1.201 40 Y HN 0.467 nan 8.280 nan 0.000 0.458 41 Y N 0.385 120.837 120.300 0.252 0.000 2.421 41 Y HA 0.582 5.111 4.550 -0.034 0.000 0.339 41 Y C -0.164 175.756 175.900 0.034 0.000 0.996 41 Y CA -1.308 56.844 58.100 0.086 0.000 1.046 41 Y CB 2.120 40.697 38.460 0.194 0.000 1.226 41 Y HN 0.547 nan 8.280 nan 0.000 0.445 42 T N -0.283 114.190 114.554 -0.133 0.000 2.887 42 T HA 0.857 5.187 4.350 -0.034 0.000 0.288 42 T C -1.180 173.287 174.700 -0.388 0.000 1.021 42 T CA -0.827 61.246 62.100 -0.046 0.000 1.000 42 T CB 1.348 70.247 68.868 0.052 0.000 1.034 42 T HN 0.289 nan 8.240 nan 0.000 0.467 43 F N 0.462 120.520 119.950 0.180 0.000 2.581 43 F HA 0.727 5.233 4.527 -0.035 0.000 0.311 43 F C 1.026 176.909 175.800 0.138 0.000 1.113 43 F CA 0.069 58.154 58.000 0.140 0.000 0.935 43 F CB 1.964 41.036 39.000 0.119 0.000 1.232 43 F HN 1.248 nan 8.300 nan 0.000 0.445 44 G N 2.521 111.476 108.800 0.258 0.000 2.598 44 G HA2 -0.146 3.794 3.960 -0.034 0.000 0.244 44 G HA3 -0.146 3.794 3.960 -0.034 0.000 0.244 44 G C -1.244 173.750 174.900 0.158 0.000 1.302 44 G CA -0.725 44.486 45.100 0.184 0.000 0.903 44 G HN 0.616 nan 8.290 nan 0.000 0.575 45 K N -0.028 120.452 120.400 0.133 0.000 2.292 45 K HA 0.776 5.075 4.320 -0.034 0.000 0.257 45 K C 1.042 177.739 176.600 0.162 0.000 0.940 45 K CA 0.151 56.507 56.287 0.116 0.000 0.811 45 K CB 1.751 34.282 32.500 0.052 0.000 1.120 45 K HN 0.987 nan 8.250 nan 0.000 0.428 46 A N 1.651 124.572 122.820 0.169 0.000 1.970 46 A HA -0.021 4.278 4.320 -0.034 0.000 0.216 46 A C 0.139 177.889 177.584 0.276 0.000 1.170 46 A CA 1.223 53.365 52.037 0.175 0.000 0.645 46 A CB 0.057 19.123 19.000 0.111 0.000 0.816 46 A HN 0.636 nan 8.150 nan 0.000 0.447 47 D N -1.173 119.380 120.400 0.254 0.000 2.479 47 D HA 0.377 4.997 4.640 -0.034 0.000 0.246 47 D C 0.580 176.981 176.300 0.169 0.000 1.336 47 D CA -0.457 53.730 54.000 0.311 0.000 0.967 47 D CB 0.602 41.582 40.800 0.300 0.000 1.275 47 D HN 0.121 nan 8.370 nan 0.000 0.577 48 I N 2.156 122.809 120.570 0.137 0.000 2.142 48 I HA -0.201 3.948 4.170 -0.034 0.000 0.240 48 I C 2.472 178.589 176.117 0.000 0.000 1.078 48 I CA 1.268 62.558 61.300 -0.017 0.000 1.343 48 I CB -0.143 37.743 38.000 -0.190 0.000 1.046 48 I HN 0.448 nan 8.210 nan 0.000 0.405 49 A N 0.664 123.486 122.820 0.002 0.000 1.940 49 A HA -0.127 4.172 4.320 -0.034 0.000 0.219 49 A C 2.336 179.912 177.584 -0.013 0.000 1.176 49 A CA 1.974 53.993 52.037 -0.029 0.000 0.631 49 A CB -0.692 18.263 19.000 -0.076 0.000 0.814 49 A HN 0.470 nan 8.150 nan 0.000 0.446 50 A N -1.570 121.257 122.820 0.011 0.000 2.275 50 A HA 0.282 4.581 4.320 -0.034 0.000 0.212 50 A C 0.917 178.522 177.584 0.035 0.000 1.201 50 A CA 0.776 52.828 52.037 0.025 0.000 0.843 50 A CB -0.454 18.575 19.000 0.049 0.000 0.873 50 A HN 0.707 nan 8.150 nan 0.000 0.492 51 N N -0.354 118.367 118.700 0.035 0.000 2.740 51 N HA -0.152 4.567 4.740 -0.034 0.000 0.248 51 N C -0.787 174.753 175.510 0.050 0.000 1.062 51 N CA 1.003 54.074 53.050 0.034 0.000 0.704 51 N CB -1.601 36.899 38.487 0.021 0.000 0.968 51 N HN 0.626 nan 8.380 nan 0.000 0.547 52 K N 0.796 121.240 120.400 0.073 0.000 2.227 52 K HA 0.326 4.626 4.320 -0.034 0.000 0.280 52 K C -2.241 174.414 176.600 0.093 0.000 1.041 52 K CA -1.543 54.793 56.287 0.082 0.000 0.905 52 K CB 1.167 33.727 32.500 0.100 0.000 1.068 52 K HN 0.198 nan 8.250 nan 0.000 0.470 53 P HA 0.038 nan 4.420 nan 0.000 0.274 53 P C -0.147 177.227 177.300 0.124 0.000 1.231 53 P CA -0.461 62.697 63.100 0.098 0.000 0.790 53 P CB 0.693 32.438 31.700 0.076 0.000 0.951 54 V N 2.343 122.355 119.914 0.162 0.000 2.585 54 V HA 0.181 4.281 4.120 -0.034 0.000 0.296 54 V C 1.268 177.460 176.094 0.164 0.000 1.035 54 V CA 0.788 63.216 62.300 0.213 0.000 1.084 54 V CB 0.037 32.060 31.823 0.333 0.000 0.953 54 V HN 0.859 nan 8.190 nan 0.000 0.483 55 T N 2.605 117.254 114.554 0.157 0.000 2.888 55 T HA 0.508 4.838 4.350 -0.034 0.000 0.288 55 T C -2.342 172.404 174.700 0.078 0.000 1.063 55 T CA -2.077 60.078 62.100 0.092 0.000 1.010 55 T CB 2.141 71.048 68.868 0.065 0.000 1.214 55 T HN 0.335 nan 8.240 nan 0.000 0.533 56 P HA 0.078 nan 4.420 nan 0.000 0.234 56 P C 0.957 178.184 177.300 -0.121 0.000 1.167 56 P CA 0.746 63.766 63.100 -0.133 0.000 0.763 56 P CB 0.038 31.533 31.700 -0.342 0.000 0.835 57 Q N -1.874 117.871 119.800 -0.091 0.000 2.356 57 Q HA 0.083 4.402 4.340 -0.034 0.000 0.205 57 Q C 0.186 176.158 176.000 -0.046 0.000 0.901 57 Q CA 0.248 55.942 55.803 -0.182 0.000 0.938 57 Q CB -0.086 28.454 28.738 -0.329 0.000 1.081 57 Q HN 0.143 nan 8.270 nan 0.000 0.517 58 T N 1.894 116.511 114.554 0.105 0.000 2.902 58 T HA 0.135 4.465 4.350 -0.034 0.000 0.301 58 T C 0.056 174.835 174.700 0.132 0.000 1.012 58 T CA 0.221 62.396 62.100 0.124 0.000 1.151 58 T CB 0.348 69.277 68.868 0.103 0.000 0.946 58 T HN 0.124 nan 8.240 nan 0.000 0.542 59 L N 3.938 125.206 121.223 0.075 0.000 2.305 59 L HA 0.521 4.841 4.340 -0.034 0.000 0.281 59 L C -0.426 176.424 176.870 -0.033 0.000 1.085 59 L CA -0.545 54.346 54.840 0.085 0.000 0.813 59 L CB 0.418 42.484 42.059 0.012 0.000 1.157 59 L HN 0.526 nan 8.230 nan 0.000 0.436 60 F N 0.305 120.294 119.950 0.066 0.000 2.538 60 F HA 0.364 4.870 4.527 -0.035 0.000 0.325 60 F C 0.355 175.932 175.800 -0.372 0.000 1.066 60 F CA -0.904 57.071 58.000 -0.041 0.000 0.946 60 F CB 1.440 40.564 39.000 0.206 0.000 1.199 60 F HN 0.394 nan 8.300 nan 0.000 0.473 61 E N 2.557 122.271 120.200 -0.811 0.000 2.257 61 E HA 0.159 4.489 4.350 -0.034 0.000 0.278 61 E C 0.456 176.997 176.600 -0.099 0.000 1.049 61 E CA -0.029 56.081 56.400 -0.483 0.000 0.876 61 E CB 0.846 30.173 29.700 -0.622 0.000 1.035 61 E HN 0.618 nan 8.360 nan 0.000 0.419 62 L N 2.964 124.188 121.223 0.001 0.000 2.492 62 L HA 0.041 4.361 4.340 -0.034 0.000 0.223 62 L C 1.432 178.380 176.870 0.129 0.000 1.132 62 L CA 0.496 55.393 54.840 0.095 0.000 0.850 62 L CB -0.726 41.386 42.059 0.088 0.000 0.966 62 L HN 0.918 nan 8.230 nan 0.000 0.454 63 G N 0.384 109.259 108.800 0.125 0.000 2.614 63 G HA2 -0.400 3.539 3.960 -0.034 0.000 0.303 63 G HA3 -0.400 3.539 3.960 -0.034 0.000 0.303 63 G C 0.835 175.858 174.900 0.204 0.000 1.270 63 G CA 0.442 45.648 45.100 0.178 0.000 0.988 63 G HN 0.243 nan 8.290 nan 0.000 0.551 64 S N 0.384 116.210 115.700 0.210 0.000 2.547 64 S HA 0.070 4.520 4.470 -0.034 0.000 0.235 64 S C 2.262 176.970 174.600 0.180 0.000 0.980 64 S CA 1.184 59.525 58.200 0.234 0.000 0.941 64 S CB -0.197 63.176 63.200 0.288 0.000 0.763 64 S HN 0.470 nan 8.310 nan 0.000 0.532 65 I N 1.439 122.100 120.570 0.152 0.000 2.756 65 I HA -0.135 4.015 4.170 -0.034 0.000 0.262 65 I C 2.032 178.245 176.117 0.159 0.000 1.225 65 I CA 0.442 61.811 61.300 0.114 0.000 1.472 65 I CB -0.410 37.679 38.000 0.148 0.000 1.094 65 I HN 0.188 nan 8.210 nan 0.000 0.454 66 S N 0.892 116.699 115.700 0.179 0.000 2.407 66 S HA -0.234 4.216 4.470 -0.034 0.000 0.235 66 S C 1.888 176.611 174.600 0.206 0.000 1.036 66 S CA 1.375 59.689 58.200 0.191 0.000 1.013 66 S CB -0.239 63.007 63.200 0.076 0.000 0.820 66 S HN 0.482 nan 8.310 nan 0.000 0.476 67 K N 0.713 121.190 120.400 0.130 0.000 2.283 67 K HA -0.071 4.228 4.320 -0.034 0.000 0.202 67 K C 2.438 179.052 176.600 0.023 0.000 1.048 67 K CA 1.481 57.827 56.287 0.097 0.000 0.948 67 K CB -0.385 32.187 32.500 0.119 0.000 0.742 67 K HN 0.633 nan 8.250 nan 0.000 0.458 68 T N -1.224 113.255 114.554 -0.125 0.000 2.867 68 T HA -0.100 4.230 4.350 -0.034 0.000 0.268 68 T C 1.734 176.442 174.700 0.014 0.000 1.057 68 T CA 0.808 62.671 62.100 -0.395 0.000 1.136 68 T CB -0.358 67.873 68.868 -1.063 0.000 0.874 68 T HN 0.020 nan 8.240 nan 0.000 0.466 69 F N 2.228 122.220 119.950 0.070 0.000 2.146 69 F HA 0.049 4.555 4.527 -0.036 0.000 0.298 69 F C 3.000 178.866 175.800 0.110 0.000 1.096 69 F CA 1.316 59.311 58.000 -0.008 0.000 1.275 69 F CB -1.156 37.664 39.000 -0.300 0.000 1.008 69 F HN 0.139 nan 8.300 nan 0.000 0.480 70 T N -0.510 114.234 114.554 0.317 0.000 2.746 70 T HA -0.147 4.183 4.350 -0.034 0.000 0.267 70 T C 2.388 177.267 174.700 0.299 0.000 1.039 70 T CA 1.434 63.727 62.100 0.323 0.000 1.142 70 T CB -1.078 67.942 68.868 0.254 0.000 0.866 70 T HN 0.441 nan 8.240 nan 0.000 0.444 71 G N 1.017 109.961 108.800 0.240 0.000 2.421 71 G HA2 -0.169 3.770 3.960 -0.034 0.000 0.216 71 G HA3 -0.169 3.770 3.960 -0.034 0.000 0.216 71 G C 1.703 176.762 174.900 0.265 0.000 1.171 71 G CA 0.845 46.087 45.100 0.237 0.000 0.775 71 G HN 0.438 nan 8.290 nan 0.000 0.543 72 V N 0.627 120.712 119.914 0.284 0.000 2.427 72 V HA -0.101 3.999 4.120 -0.034 0.000 0.248 72 V C 2.672 178.897 176.094 0.219 0.000 1.051 72 V CA 1.510 63.980 62.300 0.284 0.000 1.048 72 V CB -0.363 31.706 31.823 0.411 0.000 0.666 72 V HN 0.343 nan 8.190 nan 0.000 0.456 73 L N 1.400 122.742 121.223 0.197 0.000 2.042 73 L HA -0.055 4.265 4.340 -0.034 0.000 0.210 73 L C 2.329 179.240 176.870 0.069 0.000 1.076 73 L CA 2.479 57.377 54.840 0.095 0.000 0.749 73 L CB -1.255 40.819 42.059 0.025 0.000 0.893 73 L HN 0.272 nan 8.230 nan 0.000 0.432 74 G N -1.258 107.618 108.800 0.128 0.000 2.418 74 G HA2 -0.189 3.751 3.960 -0.034 0.000 0.217 74 G HA3 -0.189 3.751 3.960 -0.034 0.000 0.217 74 G C 1.531 176.529 174.900 0.163 0.000 1.158 74 G CA 0.545 45.714 45.100 0.114 0.000 0.771 74 G HN 0.598 nan 8.290 nan 0.000 0.545 75 G N 0.737 109.651 108.800 0.190 0.000 2.440 75 G HA2 -0.276 3.664 3.960 -0.034 0.000 0.218 75 G HA3 -0.276 3.664 3.960 -0.034 0.000 0.218 75 G C 1.443 176.404 174.900 0.101 0.000 1.154 75 G CA 1.413 46.605 45.100 0.152 0.000 0.767 75 G HN 0.510 nan 8.290 nan 0.000 0.552 76 D N 0.476 120.928 120.400 0.086 0.000 2.117 76 D HA 0.021 4.641 4.640 -0.034 0.000 0.197 76 D C 2.657 178.974 176.300 0.028 0.000 0.987 76 D CA 1.488 55.519 54.000 0.052 0.000 0.829 76 D CB -0.264 40.563 40.800 0.045 0.000 0.961 76 D HN 0.258 nan 8.370 nan 0.000 0.460 77 A N -0.022 122.805 122.820 0.011 0.000 1.930 77 A HA -0.088 4.212 4.320 -0.034 0.000 0.217 77 A C 2.311 179.899 177.584 0.007 0.000 1.175 77 A CA 1.071 53.097 52.037 -0.018 0.000 0.627 77 A CB -0.745 18.207 19.000 -0.080 0.000 0.815 77 A HN 0.382 nan 8.150 nan 0.000 0.443 78 I N -0.120 120.473 120.570 0.037 0.000 2.226 78 I HA -0.279 3.871 4.170 -0.034 0.000 0.245 78 I C 2.891 179.038 176.117 0.051 0.000 1.100 78 I CA 1.161 62.496 61.300 0.058 0.000 1.374 78 I CB -0.284 37.771 38.000 0.092 0.000 1.057 78 I HN 0.332 nan 8.210 nan 0.000 0.413 79 A N 0.561 123.410 122.820 0.048 0.000 2.015 79 A HA -0.148 4.151 4.320 -0.034 0.000 0.219 79 A C 2.316 179.917 177.584 0.028 0.000 1.163 79 A CA 1.246 53.306 52.037 0.038 0.000 0.646 79 A CB -0.512 18.511 19.000 0.037 0.000 0.806 79 A HN 0.343 nan 8.150 nan 0.000 0.448 80 R N -1.612 118.902 120.500 0.023 0.000 2.236 80 R HA 0.146 4.466 4.340 -0.034 0.000 0.208 80 R C 1.361 177.674 176.300 0.022 0.000 1.036 80 R CA 0.600 56.709 56.100 0.016 0.000 1.001 80 R CB -0.104 30.200 30.300 0.006 0.000 0.896 80 R HN 0.685 nan 8.270 nan 0.000 0.464 81 G N 0.778 109.597 108.800 0.031 0.000 2.141 81 G HA2 -0.291 3.648 3.960 -0.034 0.000 0.242 81 G HA3 -0.291 3.648 3.960 -0.034 0.000 0.242 81 G C 0.525 175.455 174.900 0.049 0.000 0.982 81 G CA 0.394 45.518 45.100 0.040 0.000 0.662 81 G HN 0.419 nan 8.290 nan 0.000 0.527 82 E N -0.509 119.712 120.200 0.037 0.000 2.158 82 E HA 0.242 4.571 4.350 -0.034 0.000 0.191 82 E C 1.496 178.140 176.600 0.073 0.000 0.982 82 E CA 1.181 57.606 56.400 0.041 0.000 0.823 82 E CB 0.167 29.864 29.700 -0.005 0.000 0.766 82 E HN 0.904 nan 8.360 nan 0.000 0.468 83 I N -3.823 116.772 120.570 0.042 0.000 3.095 83 I HA 0.520 4.669 4.170 -0.034 0.000 0.310 83 I C -0.831 175.351 176.117 0.108 0.000 1.196 83 I CA -1.107 60.228 61.300 0.059 0.000 0.985 83 I CB 2.462 40.330 38.000 -0.219 0.000 1.250 83 I HN -0.297 nan 8.210 nan 0.000 0.446 84 S N 2.503 118.306 115.700 0.172 0.000 2.521 84 S HA 0.555 5.005 4.470 -0.034 0.000 0.295 84 S C 0.527 175.228 174.600 0.168 0.000 1.098 84 S CA -0.830 57.460 58.200 0.150 0.000 0.999 84 S CB 1.661 64.946 63.200 0.142 0.000 1.034 84 S HN 0.773 nan 8.310 nan 0.000 0.483 85 L N 2.479 123.785 121.223 0.139 0.000 2.265 85 L HA -0.018 4.301 4.340 -0.034 0.000 0.215 85 L C 1.187 178.135 176.870 0.130 0.000 1.117 85 L CA 0.914 55.826 54.840 0.119 0.000 0.782 85 L CB -0.222 41.864 42.059 0.044 0.000 0.914 85 L HN 0.632 nan 8.230 nan 0.000 0.441 86 D N -0.824 119.654 120.400 0.129 0.000 2.340 86 D HA -0.002 4.617 4.640 -0.034 0.000 0.220 86 D C 0.314 176.700 176.300 0.142 0.000 1.039 86 D CA 0.348 54.422 54.000 0.123 0.000 0.866 86 D CB -0.015 40.843 40.800 0.097 0.000 0.913 86 D HN 0.240 nan 8.370 nan 0.000 0.523 87 D N 1.890 122.398 120.400 0.181 0.000 2.399 87 D HA 0.075 4.694 4.640 -0.034 0.000 0.241 87 D C -2.061 174.363 176.300 0.206 0.000 1.133 87 D CA -1.132 52.986 54.000 0.197 0.000 0.890 87 D CB 0.624 41.613 40.800 0.315 0.000 1.201 87 D HN 0.070 nan 8.370 nan 0.000 0.432 88 P HA -0.012 nan 4.420 nan 0.000 0.271 88 P C 1.074 178.506 177.300 0.220 0.000 1.218 88 P CA -0.354 62.852 63.100 0.178 0.000 0.780 88 P CB 0.938 32.712 31.700 0.124 0.000 0.901 89 V N 2.609 122.682 119.914 0.264 0.000 2.317 89 V HA -0.290 3.810 4.120 -0.034 0.000 0.251 89 V C 2.624 178.824 176.094 0.177 0.000 1.065 89 V CA 3.103 65.557 62.300 0.257 0.000 1.049 89 V CB -2.089 29.884 31.823 0.249 0.000 0.651 89 V HN 0.732 nan 8.190 nan 0.000 0.450 90 T N -1.216 113.398 114.554 0.100 0.000 2.929 90 T HA -0.259 4.070 4.350 -0.034 0.000 0.271 90 T C 1.865 176.556 174.700 -0.016 0.000 1.085 90 T CA 1.417 63.531 62.100 0.022 0.000 1.125 90 T CB -0.505 68.367 68.868 0.007 0.000 0.874 90 T HN 0.510 nan 8.240 nan 0.000 0.494 91 R N 0.107 120.553 120.500 -0.089 0.000 2.127 91 R HA -0.126 4.193 4.340 -0.034 0.000 0.238 91 R C 1.245 177.247 176.300 -0.496 0.000 1.134 91 R CA 1.487 57.379 56.100 -0.346 0.000 0.975 91 R CB -0.338 29.604 30.300 -0.597 0.000 0.865 91 R HN 0.556 nan 8.270 nan 0.000 0.447 92 Y N -2.820 117.518 120.300 0.063 0.000 2.457 92 Y HA 0.125 4.653 4.550 -0.037 0.000 0.263 92 Y C -0.026 175.937 175.900 0.105 0.000 1.164 92 Y CA -0.336 57.789 58.100 0.042 0.000 1.274 92 Y CB 0.589 39.044 38.460 -0.008 0.000 1.097 92 Y HN 0.139 nan 8.280 nan 0.000 0.523 93 W N 2.889 124.168 121.300 -0.035 0.000 1.982 93 W HA 0.363 5.011 4.660 -0.021 0.000 0.299 93 W C -2.485 173.975 176.519 -0.098 0.000 1.011 93 W CA -3.260 54.037 57.345 -0.079 0.000 1.324 93 W CB 0.898 30.271 29.460 -0.145 0.000 1.372 93 W HN -0.174 nan 8.180 nan 0.000 0.323 94 P HA -0.199 nan 4.420 nan 0.000 0.222 94 P C 0.995 178.251 177.300 -0.074 0.000 1.147 94 P CA 1.619 64.723 63.100 0.007 0.000 0.790 94 P CB 0.464 32.177 31.700 0.021 0.000 0.780 95 Q N -0.658 119.089 119.800 -0.090 0.000 2.437 95 Q HA -0.014 4.305 4.340 -0.034 0.000 0.210 95 Q C 0.940 176.666 176.000 -0.456 0.000 0.972 95 Q CA 0.416 56.101 55.803 -0.196 0.000 0.903 95 Q CB -0.806 27.894 28.738 -0.063 0.000 0.967 95 Q HN 0.177 nan 8.270 nan 0.000 0.486 96 L N 1.725 122.509 121.223 -0.731 0.000 2.395 96 L HA 0.105 4.424 4.340 -0.034 0.000 0.268 96 L C 0.572 177.209 176.870 -0.388 0.000 1.223 96 L CA 0.424 54.778 54.840 -0.810 0.000 1.093 96 L CB -0.046 41.295 42.059 -1.196 0.000 1.349 96 L HN 0.168 nan 8.230 nan 0.000 0.427 97 T N -0.690 113.728 114.554 -0.227 0.000 3.081 97 T HA 0.229 4.558 4.350 -0.034 0.000 0.250 97 T C 0.962 175.666 174.700 0.007 0.000 1.100 97 T CA 0.138 62.186 62.100 -0.086 0.000 1.038 97 T CB -0.206 68.623 68.868 -0.064 0.000 0.962 97 T HN 0.542 nan 8.240 nan 0.000 0.516 98 G N 1.512 110.350 108.800 0.062 0.000 2.380 98 G HA2 0.253 4.193 3.960 -0.034 0.000 0.242 98 G HA3 0.253 4.193 3.960 -0.034 0.000 0.242 98 G C 0.731 175.760 174.900 0.216 0.000 1.298 98 G CA -0.658 44.539 45.100 0.160 0.000 0.878 98 G HN 0.099 nan 8.290 nan 0.000 0.542 99 K N 1.462 121.928 120.400 0.108 0.000 2.439 99 K HA -0.080 4.220 4.320 -0.034 0.000 0.197 99 K C 2.514 179.148 176.600 0.056 0.000 1.041 99 K CA 0.493 56.830 56.287 0.084 0.000 0.970 99 K CB 0.162 32.682 32.500 0.033 0.000 0.773 99 K HN 0.816 nan 8.250 nan 0.000 0.479 100 Q N -0.596 119.203 119.800 -0.003 0.000 2.364 100 Q HA -0.167 4.153 4.340 -0.034 0.000 0.209 100 Q C 1.143 177.029 176.000 -0.191 0.000 0.977 100 Q CA 1.128 56.829 55.803 -0.171 0.000 0.885 100 Q CB -0.476 28.048 28.738 -0.358 0.000 0.941 100 Q HN 0.379 nan 8.270 nan 0.000 0.464 101 W N 1.849 123.189 121.300 0.067 0.000 2.905 101 W HA 0.139 4.781 4.660 -0.029 0.000 0.251 101 W C 1.099 177.672 176.519 0.090 0.000 1.305 101 W CA -0.332 57.083 57.345 0.117 0.000 1.465 101 W CB 0.331 29.844 29.460 0.089 0.000 1.122 101 W HN 0.174 nan 8.180 nan 0.000 0.659 102 Q N 0.490 120.421 119.800 0.218 0.000 2.300 102 Q HA 0.267 4.586 4.340 -0.034 0.000 0.280 102 Q C 1.298 177.376 176.000 0.130 0.000 1.033 102 Q CA 1.369 57.265 55.803 0.155 0.000 0.903 102 Q CB 0.556 29.352 28.738 0.097 0.000 1.195 102 Q HN 0.371 nan 8.270 nan 0.000 0.386 103 G N 3.804 112.688 108.800 0.141 0.000 2.199 103 G HA2 -0.245 3.694 3.960 -0.034 0.000 0.254 103 G HA3 -0.245 3.694 3.960 -0.034 0.000 0.254 103 G C 0.082 175.078 174.900 0.160 0.000 0.982 103 G CA 0.092 45.270 45.100 0.129 0.000 0.632 103 G HN 0.629 nan 8.290 nan 0.000 0.529 104 I N 1.730 122.426 120.570 0.210 0.000 2.325 104 I HA 0.404 4.554 4.170 -0.034 0.000 0.291 104 I C 0.937 177.220 176.117 0.277 0.000 1.019 104 I CA -0.655 60.796 61.300 0.252 0.000 1.302 104 I CB 0.905 39.092 38.000 0.311 0.000 1.401 104 I HN 0.044 nan 8.210 nan 0.000 0.485 105 R N 4.921 125.563 120.500 0.237 0.000 2.532 105 R HA 0.391 4.711 4.340 -0.034 0.000 0.272 105 R C 0.993 177.428 176.300 0.225 0.000 1.032 105 R CA -0.924 55.309 56.100 0.221 0.000 1.089 105 R CB 1.033 31.446 30.300 0.189 0.000 1.098 105 R HN 0.539 nan 8.270 nan 0.000 0.526 106 M N 1.093 120.834 119.600 0.236 0.000 2.144 106 M HA -0.190 4.270 4.480 -0.034 0.000 0.260 106 M C 2.027 178.381 176.300 0.090 0.000 1.067 106 M CA 1.605 57.054 55.300 0.250 0.000 1.095 106 M CB -0.893 31.888 32.600 0.302 0.000 1.365 106 M HN 0.563 nan 8.290 nan 0.000 0.406 107 L N 1.082 122.333 121.223 0.047 0.000 2.043 107 L HA -0.226 4.094 4.340 -0.034 0.000 0.212 107 L C 1.879 178.738 176.870 -0.018 0.000 1.075 107 L CA 2.027 56.826 54.840 -0.067 0.000 0.752 107 L CB -0.872 41.209 42.059 0.038 0.000 0.891 107 L HN 0.275 nan 8.230 nan 0.000 0.432 108 D N -0.643 119.824 120.400 0.112 0.000 2.144 108 D HA -0.180 4.439 4.640 -0.034 0.000 0.200 108 D C 2.330 178.634 176.300 0.008 0.000 0.978 108 D CA 1.562 55.625 54.000 0.106 0.000 0.833 108 D CB -0.086 40.807 40.800 0.154 0.000 0.961 108 D HN 0.405 nan 8.370 nan 0.000 0.470 109 L N 0.909 122.152 121.223 0.034 0.000 2.046 109 L HA -0.147 4.172 4.340 -0.034 0.000 0.208 109 L C 2.613 179.369 176.870 -0.189 0.000 1.077 109 L CA 1.087 55.939 54.840 0.020 0.000 0.747 109 L CB -0.403 41.749 42.059 0.155 0.000 0.896 109 L HN -0.026 nan 8.230 nan 0.000 0.432 110 A N -0.462 122.068 122.820 -0.482 0.000 2.015 110 A HA -0.133 4.166 4.320 -0.034 0.000 0.219 110 A C 1.991 179.120 177.584 -0.758 0.000 1.163 110 A CA 1.896 53.384 52.037 -0.915 0.000 0.646 110 A CB -0.552 17.462 19.000 -1.644 0.000 0.806 110 A HN 0.504 nan 8.150 nan 0.000 0.448 111 T N -6.685 107.524 114.554 -0.574 0.000 3.200 111 T HA 0.359 4.689 4.350 -0.034 0.000 0.284 111 T C 0.121 174.531 174.700 -0.483 0.000 1.009 111 T CA 0.145 61.909 62.100 -0.560 0.000 0.907 111 T CB -0.451 68.424 68.868 0.013 0.000 1.120 111 T HN 0.672 nan 8.240 nan 0.000 0.534 112 Y N 0.535 120.777 120.300 -0.097 0.000 4.569 112 Y HA -0.250 4.280 4.550 -0.034 0.000 0.237 112 Y C 1.231 177.040 175.900 -0.153 0.000 1.090 112 Y CA 0.478 58.515 58.100 -0.106 0.000 2.052 112 Y CB -3.117 35.290 38.460 -0.087 0.000 1.621 112 Y HN 0.617 nan 8.280 nan 0.000 0.682 113 T N -4.204 110.282 114.554 -0.113 0.000 3.215 113 T HA 0.692 5.021 4.350 -0.034 0.000 0.271 113 T C 1.484 176.147 174.700 -0.062 0.000 1.012 113 T CA 0.217 62.173 62.100 -0.239 0.000 0.899 113 T CB 0.513 68.966 68.868 -0.692 0.000 1.089 113 T HN 0.491 nan 8.240 nan 0.000 0.552 114 A N 1.372 124.221 122.820 0.048 0.000 2.067 114 A HA 0.543 4.842 4.320 -0.034 0.000 0.219 114 A C 1.895 179.640 177.584 0.269 0.000 1.158 114 A CA 0.717 52.832 52.037 0.131 0.000 0.661 114 A CB -0.840 18.202 19.000 0.069 0.000 0.801 114 A HN 1.511 nan 8.150 nan 0.000 0.452 115 G N -3.361 105.627 108.800 0.315 0.000 2.245 115 G HA2 0.414 4.353 3.960 -0.034 0.000 0.116 115 G HA3 0.414 4.353 3.960 -0.034 0.000 0.116 115 G C 0.951 176.270 174.900 0.700 0.000 1.054 115 G CA 0.384 45.761 45.100 0.462 0.000 0.728 115 G HN 1.957 nan 8.290 nan 0.000 0.483 116 G N -0.920 108.280 108.800 0.668 0.000 2.148 116 G HA2 -0.073 3.866 3.960 -0.034 0.000 0.157 116 G HA3 -0.073 3.866 3.960 -0.034 0.000 0.157 116 G C 0.448 175.656 174.900 0.513 0.000 1.012 116 G CA -0.104 45.399 45.100 0.671 0.000 0.677 116 G HN 1.191 nan 8.290 nan 0.000 0.506 117 L N 2.321 123.659 121.223 0.192 0.000 2.525 117 L HA 0.237 4.556 4.340 -0.034 0.000 0.278 117 L C -0.860 176.064 176.870 0.091 0.000 1.218 117 L CA -1.048 53.694 54.840 -0.164 0.000 0.878 117 L CB 0.350 42.232 42.059 -0.296 0.000 1.127 117 L HN 0.108 nan 8.230 nan 0.000 0.492 118 P HA 0.017 nan 4.420 nan 0.000 0.276 118 P C 0.542 177.916 177.300 0.123 0.000 1.261 118 P CA -0.657 62.543 63.100 0.167 0.000 0.800 118 P CB 1.107 32.929 31.700 0.205 0.000 1.066 119 L N 0.388 121.675 121.223 0.107 0.000 2.013 119 L HA -0.166 4.154 4.340 -0.034 0.000 0.212 119 L C 0.941 177.857 176.870 0.076 0.000 1.073 119 L CA 2.097 56.989 54.840 0.086 0.000 0.753 119 L CB -0.890 41.226 42.059 0.095 0.000 0.890 119 L HN 0.423 nan 8.230 nan 0.000 0.432 120 Q N -0.951 118.886 119.800 0.063 0.000 2.345 120 Q HA 0.478 4.798 4.340 -0.034 0.000 0.268 120 Q C -0.858 175.110 176.000 -0.053 0.000 1.054 120 Q CA -1.049 54.771 55.803 0.028 0.000 0.835 120 Q CB 2.367 31.112 28.738 0.011 0.000 1.339 120 Q HN -0.074 nan 8.270 nan 0.000 0.447 121 V N 3.822 123.664 119.914 -0.120 0.000 2.521 121 V HA 0.156 4.255 4.120 -0.034 0.000 0.286 121 V C -1.790 174.101 176.094 -0.338 0.000 1.034 121 V CA -1.121 60.940 62.300 -0.398 0.000 1.045 121 V CB 0.036 31.682 31.823 -0.295 0.000 0.974 121 V HN 0.683 nan 8.190 nan 0.000 0.480 122 P HA 0.198 nan 4.420 nan 0.000 0.274 122 P C 0.153 177.356 177.300 -0.162 0.000 1.231 122 P CA -0.363 62.603 63.100 -0.223 0.000 0.790 122 P CB 0.900 32.489 31.700 -0.185 0.000 0.951 123 D N 0.626 120.977 120.400 -0.082 0.000 2.263 123 D HA -0.147 4.472 4.640 -0.034 0.000 0.208 123 D C 1.598 177.872 176.300 -0.042 0.000 0.971 123 D CA 1.009 54.980 54.000 -0.049 0.000 0.867 123 D CB -0.096 40.690 40.800 -0.023 0.000 0.929 123 D HN 0.576 nan 8.370 nan 0.000 0.492 124 E N 0.699 120.873 120.200 -0.043 0.000 2.478 124 E HA -0.070 4.259 4.350 -0.034 0.000 0.198 124 E C 0.353 176.939 176.600 -0.023 0.000 1.046 124 E CA 0.154 56.542 56.400 -0.020 0.000 0.870 124 E CB -0.067 29.633 29.700 -0.001 0.000 0.818 124 E HN 0.007 nan 8.360 nan 0.000 0.527 125 V N 2.862 122.737 119.914 -0.065 0.000 2.389 125 V HA 0.095 4.194 4.120 -0.034 0.000 0.264 125 V C 1.047 177.125 176.094 -0.027 0.000 1.049 125 V CA 0.746 63.016 62.300 -0.051 0.000 0.932 125 V CB 0.875 32.614 31.823 -0.141 0.000 1.011 125 V HN 0.431 nan 8.190 nan 0.000 0.475 126 T N -0.815 113.741 114.554 0.003 0.000 3.130 126 T HA 0.276 4.606 4.350 -0.034 0.000 0.288 126 T C -0.073 174.635 174.700 0.012 0.000 0.936 126 T CA 0.146 62.248 62.100 0.004 0.000 0.897 126 T CB 0.261 69.132 68.868 0.006 0.000 1.178 126 T HN 0.681 nan 8.240 nan 0.000 0.543 127 D N -0.313 120.105 120.400 0.030 0.000 2.713 127 D HA 0.285 4.905 4.640 -0.034 0.000 0.306 127 D C 0.168 176.507 176.300 0.064 0.000 1.299 127 D CA -0.772 53.249 54.000 0.034 0.000 0.823 127 D CB 0.069 40.889 40.800 0.034 0.000 1.353 127 D HN -0.210 nan 8.370 nan 0.000 0.447 128 N N -0.275 118.463 118.700 0.064 0.000 2.188 128 N HA -0.054 4.665 4.740 -0.034 0.000 0.184 128 N C 1.696 177.313 175.510 0.178 0.000 1.018 128 N CA 1.695 54.809 53.050 0.107 0.000 0.858 128 N CB -0.437 38.095 38.487 0.076 0.000 0.989 128 N HN 0.588 nan 8.380 nan 0.000 0.426 129 A N 1.071 123.970 122.820 0.132 0.000 1.902 129 A HA -0.145 4.155 4.320 -0.034 0.000 0.217 129 A C 2.425 180.100 177.584 0.151 0.000 1.181 129 A CA 2.130 54.247 52.037 0.134 0.000 0.623 129 A CB -0.666 18.388 19.000 0.090 0.000 0.818 129 A HN 0.466 nan 8.150 nan 0.000 0.443 130 S N -0.805 114.975 115.700 0.133 0.000 2.436 130 S HA -0.026 4.424 4.470 -0.034 0.000 0.228 130 S C 1.765 176.488 174.600 0.205 0.000 1.014 130 S CA 1.066 59.348 58.200 0.137 0.000 0.950 130 S CB -0.454 62.797 63.200 0.084 0.000 0.784 130 S HN 0.299 nan 8.310 nan 0.000 0.504 131 L N 1.198 122.571 121.223 0.249 0.000 2.017 131 L HA 0.110 4.430 4.340 -0.034 0.000 0.208 131 L C 2.284 179.519 176.870 0.608 0.000 1.073 131 L CA 1.442 56.527 54.840 0.408 0.000 0.745 131 L CB -0.947 41.330 42.059 0.364 0.000 0.894 131 L HN 0.397 nan 8.230 nan 0.000 0.432 132 L N -0.266 121.275 121.223 0.529 0.000 2.046 132 L HA -0.211 4.108 4.340 -0.034 0.000 0.208 132 L C 2.741 179.721 176.870 0.183 0.000 1.077 132 L CA 2.048 57.090 54.840 0.336 0.000 0.747 132 L CB -0.717 41.485 42.059 0.237 0.000 0.896 132 L HN 0.349 nan 8.230 nan 0.000 0.432 133 R N -1.473 119.142 120.500 0.193 0.000 2.081 133 R HA -0.244 4.075 4.340 -0.034 0.000 0.235 133 R C 2.323 178.732 176.300 0.182 0.000 1.131 133 R CA 1.920 58.108 56.100 0.148 0.000 0.960 133 R CB -0.636 29.744 30.300 0.132 0.000 0.856 133 R HN 0.438 nan 8.270 nan 0.000 0.436 134 F N 0.286 120.277 119.950 0.068 0.000 2.075 134 F HA -0.200 4.305 4.527 -0.036 0.000 0.297 134 F C 1.385 177.207 175.800 0.037 0.000 1.113 134 F CA 1.509 59.501 58.000 -0.013 0.000 1.218 134 F CB -0.611 38.290 39.000 -0.164 0.000 0.984 134 F HN 0.008 nan 8.300 nan 0.000 0.472 135 Y N 0.523 120.829 120.300 0.009 0.000 2.314 135 Y HA -0.135 4.395 4.550 -0.034 0.000 0.293 135 Y C 2.584 178.635 175.900 0.252 0.000 1.129 135 Y CA 1.318 59.447 58.100 0.048 0.000 1.201 135 Y CB -0.813 37.687 38.460 0.067 0.000 0.999 135 Y HN 0.155 nan 8.280 nan 0.000 0.541 136 Q N -0.046 119.876 119.800 0.204 0.000 2.119 136 Q HA -0.189 4.131 4.340 -0.034 0.000 0.201 136 Q C 1.919 178.026 176.000 0.177 0.000 0.972 136 Q CA 1.158 57.066 55.803 0.174 0.000 0.847 136 Q CB -0.466 28.296 28.738 0.040 0.000 0.903 136 Q HN 0.574 nan 8.270 nan 0.000 0.433 137 N N -0.388 118.383 118.700 0.119 0.000 2.416 137 N HA -0.106 4.613 4.740 -0.034 0.000 0.177 137 N C 0.031 175.575 175.510 0.056 0.000 1.036 137 N CA -0.105 52.987 53.050 0.070 0.000 0.901 137 N CB 0.111 38.638 38.487 0.066 0.000 0.976 137 N HN 0.122 nan 8.380 nan 0.000 0.444 138 W N 3.234 124.456 121.300 -0.131 0.000 2.347 138 W HA 0.057 4.697 4.660 -0.032 0.000 0.333 138 W C -0.591 175.839 176.519 -0.148 0.000 1.383 138 W CA 0.061 57.293 57.345 -0.188 0.000 1.283 138 W CB 0.223 29.522 29.460 -0.267 0.000 1.253 138 W HN 0.010 nan 8.180 nan 0.000 0.563 139 Q N 8.234 127.557 119.800 -0.796 0.000 2.372 139 Q HA 0.267 4.586 4.340 -0.034 0.000 0.259 139 Q C -1.982 173.260 176.000 -1.262 0.000 0.993 139 Q CA -2.003 53.274 55.803 -0.877 0.000 0.854 139 Q CB 1.234 29.705 28.738 -0.445 0.000 1.231 139 Q HN 0.243 nan 8.270 nan 0.000 0.462 140 P HA -0.064 nan 4.420 nan 0.000 0.268 140 P C -0.069 176.907 177.300 -0.540 0.000 1.204 140 P CA 0.171 62.650 63.100 -1.036 0.000 0.768 140 P CB 0.768 31.965 31.700 -0.837 0.000 0.842 141 Q N 2.225 121.771 119.800 -0.423 0.000 2.245 141 Q HA -0.012 4.308 4.340 -0.034 0.000 0.201 141 Q C -0.300 175.222 176.000 -0.797 0.000 0.955 141 Q CA 0.967 56.342 55.803 -0.713 0.000 0.870 141 Q CB 0.264 28.315 28.738 -1.145 0.000 0.945 141 Q HN 0.487 nan 8.270 nan 0.000 0.461 142 W N 0.873 122.136 121.300 -0.062 0.000 2.962 142 W HA 0.412 5.051 4.660 -0.035 0.000 0.341 142 W C -0.399 176.085 176.519 -0.059 0.000 1.155 142 W CA -0.999 56.318 57.345 -0.046 0.000 1.165 142 W CB 0.925 30.375 29.460 -0.017 0.000 1.435 142 W HN -0.179 nan 8.180 nan 0.000 0.546 143 K N 1.373 121.890 120.400 0.194 0.000 2.276 143 K HA 0.146 4.445 4.320 -0.034 0.000 0.259 143 K C -2.106 174.566 176.600 0.120 0.000 1.001 143 K CA -1.145 55.204 56.287 0.103 0.000 0.927 143 K CB -0.442 32.108 32.500 0.082 0.000 0.969 143 K HN -0.112 nan 8.250 nan 0.000 0.490 144 P HA -0.032 nan 4.420 nan 0.000 0.269 144 P C 0.282 177.629 177.300 0.078 0.000 1.209 144 P CA 0.443 63.603 63.100 0.100 0.000 0.776 144 P CB 0.433 32.206 31.700 0.121 0.000 0.876 145 G N 1.333 110.129 108.800 -0.006 0.000 2.160 145 G HA2 -0.267 3.673 3.960 -0.034 0.000 0.251 145 G HA3 -0.267 3.673 3.960 -0.034 0.000 0.251 145 G C 0.646 175.471 174.900 -0.125 0.000 1.008 145 G CA 0.761 45.827 45.100 -0.057 0.000 0.724 145 G HN 0.723 nan 8.290 nan 0.000 0.514 146 T N -4.910 109.543 114.554 -0.167 0.000 2.989 146 T HA 0.453 4.782 4.350 -0.034 0.000 0.250 146 T C 0.686 175.207 174.700 -0.298 0.000 0.981 146 T CA 1.282 63.295 62.100 -0.144 0.000 0.980 146 T CB 1.079 69.926 68.868 -0.035 0.000 1.133 146 T HN 0.545 nan 8.240 nan 0.000 0.489 147 T N 1.952 116.263 114.554 -0.405 0.000 2.921 147 T HA 0.542 4.871 4.350 -0.034 0.000 0.297 147 T C -1.201 173.236 174.700 -0.439 0.000 1.013 147 T CA -0.701 61.052 62.100 -0.579 0.000 0.990 147 T CB 2.606 70.755 68.868 -1.199 0.000 1.023 147 T HN 0.277 nan 8.240 nan 0.000 0.447 148 R N 3.028 123.314 120.500 -0.357 0.000 2.221 148 R HA 0.611 4.931 4.340 -0.034 0.000 0.327 148 R C -1.366 174.855 176.300 -0.132 0.000 1.033 148 R CA -0.707 55.273 56.100 -0.200 0.000 0.887 148 R CB 0.341 30.571 30.300 -0.116 0.000 1.057 148 R HN 0.420 nan 8.270 nan 0.000 0.455 149 L N 6.086 127.290 121.223 -0.032 0.000 2.415 149 L HA 0.259 4.578 4.340 -0.034 0.000 0.268 149 L C -1.405 175.453 176.870 -0.021 0.000 0.984 149 L CA -0.738 54.104 54.840 0.004 0.000 0.853 149 L CB 0.991 43.096 42.059 0.078 0.000 1.215 149 L HN 0.606 nan 8.230 nan 0.000 0.419 150 Y N 4.796 124.928 120.300 -0.280 0.000 2.805 150 Y HA 0.348 4.879 4.550 -0.033 0.000 0.331 150 Y C 0.054 175.729 175.900 -0.374 0.000 1.241 150 Y CA 0.998 58.699 58.100 -0.665 0.000 1.546 150 Y CB 0.398 38.565 38.460 -0.489 0.000 1.248 150 Y HN 0.817 nan 8.280 nan 0.000 0.559 151 A N 5.764 128.129 122.820 -0.759 0.000 2.480 151 A HA 0.293 4.592 4.320 -0.034 0.000 0.289 151 A C -0.090 177.410 177.584 -0.141 0.000 1.044 151 A CA -0.900 51.009 52.037 -0.214 0.000 0.761 151 A CB 0.740 19.744 19.000 0.005 0.000 1.289 151 A HN 0.789 nan 8.150 nan 0.000 0.401 152 N N 1.602 120.270 118.700 -0.054 0.000 2.244 152 N HA -0.115 4.604 4.740 -0.034 0.000 0.183 152 N C 1.807 177.370 175.510 0.089 0.000 1.016 152 N CA 1.568 54.639 53.050 0.036 0.000 0.866 152 N CB -0.138 38.426 38.487 0.128 0.000 0.980 152 N HN 0.833 nan 8.380 nan 0.000 0.430 153 A N -0.180 122.715 122.820 0.126 0.000 2.121 153 A HA -0.038 4.262 4.320 -0.034 0.000 0.218 153 A C 2.424 180.181 177.584 0.289 0.000 1.154 153 A CA 1.415 53.600 52.037 0.247 0.000 0.679 153 A CB -0.330 18.843 19.000 0.288 0.000 0.795 153 A HN 0.284 nan 8.150 nan 0.000 0.458 154 S N -0.868 114.940 115.700 0.181 0.000 2.357 154 S HA 0.083 4.533 4.470 -0.034 0.000 0.209 154 S C 1.846 176.522 174.600 0.126 0.000 1.023 154 S CA 0.744 59.037 58.200 0.156 0.000 0.933 154 S CB -0.350 62.951 63.200 0.168 0.000 0.897 154 S HN 0.497 nan 8.310 nan 0.000 0.529 155 I N 1.282 121.922 120.570 0.118 0.000 2.493 155 I HA 0.008 4.157 4.170 -0.034 0.000 0.254 155 I C 2.098 178.274 176.117 0.098 0.000 1.160 155 I CA 1.104 62.454 61.300 0.084 0.000 1.445 155 I CB -0.578 37.449 38.000 0.045 0.000 1.086 155 I HN 0.486 nan 8.210 nan 0.000 0.433 156 G N 1.038 109.865 108.800 0.046 0.000 2.421 156 G HA2 -0.299 3.641 3.960 -0.034 0.000 0.216 156 G HA3 -0.299 3.641 3.960 -0.034 0.000 0.216 156 G C 1.538 176.400 174.900 -0.063 0.000 1.171 156 G CA 0.860 45.930 45.100 -0.050 0.000 0.775 156 G HN 0.388 nan 8.290 nan 0.000 0.543 157 L N -0.278 120.954 121.223 0.016 0.000 2.093 157 L HA 0.143 4.463 4.340 -0.034 0.000 0.208 157 L C 2.417 179.244 176.870 -0.071 0.000 1.085 157 L CA 1.431 56.223 54.840 -0.079 0.000 0.755 157 L CB -0.669 41.290 42.059 -0.167 0.000 0.904 157 L HN 0.220 nan 8.230 nan 0.000 0.435 158 F N 0.491 120.373 119.950 -0.114 0.000 2.091 158 F HA -0.138 4.375 4.527 -0.023 0.000 0.299 158 F C 2.162 177.887 175.800 -0.124 0.000 1.103 158 F CA 1.883 59.817 58.000 -0.110 0.000 1.228 158 F CB -1.024 37.919 39.000 -0.094 0.000 0.984 158 F HN 0.120 nan 8.300 nan 0.000 0.477 159 G N -0.531 108.143 108.800 -0.209 0.000 2.422 159 G HA2 -0.166 3.773 3.960 -0.034 0.000 0.218 159 G HA3 -0.166 3.773 3.960 -0.034 0.000 0.218 159 G C 1.809 176.540 174.900 -0.282 0.000 1.146 159 G CA 0.780 45.700 45.100 -0.300 0.000 0.769 159 G HN 0.656 nan 8.290 nan 0.000 0.547 160 A N 0.499 123.140 122.820 -0.299 0.000 1.898 160 A HA 0.137 4.437 4.320 -0.034 0.000 0.216 160 A C 2.401 179.816 177.584 -0.283 0.000 1.181 160 A CA 1.161 53.039 52.037 -0.265 0.000 0.620 160 A CB -0.322 18.499 19.000 -0.298 0.000 0.819 160 A HN 0.354 nan 8.150 nan 0.000 0.442 161 L N -1.097 119.928 121.223 -0.332 0.000 2.131 161 L HA -0.059 4.260 4.340 -0.034 0.000 0.206 161 L C 2.999 179.608 176.870 -0.435 0.000 1.087 161 L CA 0.787 55.436 54.840 -0.317 0.000 0.767 161 L CB -0.518 41.410 42.059 -0.219 0.000 0.917 161 L HN 0.412 nan 8.230 nan 0.000 0.441 162 A N 0.290 122.765 122.820 -0.576 0.000 2.019 162 A HA -0.135 4.165 4.320 -0.034 0.000 0.219 162 A C 2.133 179.492 177.584 -0.374 0.000 1.164 162 A CA 1.780 53.441 52.037 -0.627 0.000 0.644 162 A CB -0.659 17.795 19.000 -0.911 0.000 0.805 162 A HN 0.346 nan 8.150 nan 0.000 0.449 163 V N -3.328 116.431 119.914 -0.259 0.000 3.608 163 V HA 0.081 4.180 4.120 -0.034 0.000 0.269 163 V C 1.647 177.664 176.094 -0.129 0.000 1.245 163 V CA 1.182 63.387 62.300 -0.159 0.000 1.138 163 V CB -0.510 31.257 31.823 -0.094 0.000 0.841 163 V HN 0.422 nan 8.190 nan 0.000 0.451 164 K N 1.298 121.612 120.400 -0.144 0.000 2.032 164 K HA -0.067 4.233 4.320 -0.034 0.000 0.209 164 K C -0.016 176.565 176.600 -0.031 0.000 1.048 164 K CA 2.134 58.375 56.287 -0.077 0.000 0.927 164 K CB -1.466 31.006 32.500 -0.047 0.000 0.712 164 K HN 0.465 nan 8.250 nan 0.000 0.441 165 P HA -0.185 nan 4.420 nan 0.000 0.218 165 P C 1.336 178.630 177.300 -0.010 0.000 1.148 165 P CA 1.558 64.671 63.100 0.021 0.000 0.822 165 P CB 0.005 31.732 31.700 0.045 0.000 0.784 166 S N -1.556 114.121 115.700 -0.038 0.000 2.447 166 S HA 0.033 4.482 4.470 -0.034 0.000 0.233 166 S C 1.879 176.457 174.600 -0.037 0.000 1.006 166 S CA 1.084 59.259 58.200 -0.041 0.000 0.957 166 S CB -1.464 61.699 63.200 -0.062 0.000 0.773 166 S HN 0.301 nan 8.310 nan 0.000 0.507 167 G N 0.631 109.408 108.800 -0.037 0.000 2.179 167 G HA2 -0.261 3.678 3.960 -0.034 0.000 0.260 167 G HA3 -0.261 3.678 3.960 -0.034 0.000 0.260 167 G C -0.005 174.869 174.900 -0.042 0.000 0.977 167 G CA 0.531 45.611 45.100 -0.034 0.000 0.641 167 G HN 0.556 nan 8.290 nan 0.000 0.533 168 M N 0.968 120.536 119.600 -0.053 0.000 2.363 168 M HA 0.441 4.901 4.480 -0.034 0.000 0.343 168 M C -2.247 174.017 176.300 -0.060 0.000 1.165 168 M CA -2.001 53.264 55.300 -0.059 0.000 1.046 168 M CB 1.504 34.059 32.600 -0.074 0.000 1.648 168 M HN -0.123 nan 8.290 nan 0.000 0.452 169 P HA -0.033 nan 4.420 nan 0.000 0.270 169 P C -0.059 177.226 177.300 -0.025 0.000 1.223 169 P CA -0.082 62.999 63.100 -0.032 0.000 0.785 169 P CB 0.400 32.083 31.700 -0.027 0.000 0.923 170 Y N 1.602 121.832 120.300 -0.116 0.000 2.114 170 Y HA -0.290 4.240 4.550 -0.034 0.000 0.282 170 Y C 2.355 178.189 175.900 -0.109 0.000 1.165 170 Y CA 2.305 60.331 58.100 -0.122 0.000 1.148 170 Y CB -0.287 38.092 38.460 -0.135 0.000 0.972 170 Y HN 0.494 nan 8.280 nan 0.000 0.504 171 E N -0.358 119.815 120.200 -0.046 0.000 2.077 171 E HA -0.327 4.002 4.350 -0.034 0.000 0.193 171 E C 2.341 178.827 176.600 -0.191 0.000 0.989 171 E CA 1.480 57.799 56.400 -0.134 0.000 0.800 171 E CB -0.294 29.389 29.700 -0.028 0.000 0.746 171 E HN 0.710 nan 8.360 nan 0.000 0.452 172 Q N -0.138 119.581 119.800 -0.135 0.000 2.079 172 Q HA -0.160 4.160 4.340 -0.034 0.000 0.200 172 Q C 2.073 177.976 176.000 -0.162 0.000 0.974 172 Q CA 1.429 57.157 55.803 -0.124 0.000 0.840 172 Q CB -0.189 28.499 28.738 -0.084 0.000 0.898 172 Q HN 0.358 nan 8.270 nan 0.000 0.430 173 A N 0.843 123.544 122.820 -0.198 0.000 1.902 173 A HA -0.213 4.086 4.320 -0.034 0.000 0.217 173 A C 2.101 179.532 177.584 -0.255 0.000 1.181 173 A CA 1.530 53.443 52.037 -0.206 0.000 0.623 173 A CB -0.653 18.222 19.000 -0.208 0.000 0.818 173 A HN 0.507 nan 8.150 nan 0.000 0.443 174 M N -0.473 118.883 119.600 -0.407 0.000 2.086 174 M HA -0.136 4.324 4.480 -0.034 0.000 0.261 174 M C 2.132 178.283 176.300 -0.248 0.000 1.067 174 M CA 2.260 57.326 55.300 -0.390 0.000 1.116 174 M CB -0.971 31.266 32.600 -0.605 0.000 1.348 174 M HN 0.482 nan 8.290 nan 0.000 0.407 175 T N 0.020 114.432 114.554 -0.236 0.000 2.746 175 T HA -0.113 4.216 4.350 -0.034 0.000 0.267 175 T C 1.638 176.254 174.700 -0.139 0.000 1.039 175 T CA 2.005 63.992 62.100 -0.189 0.000 1.142 175 T CB -0.340 68.431 68.868 -0.162 0.000 0.866 175 T HN 0.438 nan 8.240 nan 0.000 0.444 176 T N 1.448 115.929 114.554 -0.123 0.000 2.857 176 T HA 0.038 4.368 4.350 -0.034 0.000 0.266 176 T C 2.047 176.706 174.700 -0.069 0.000 1.048 176 T CA 0.812 62.859 62.100 -0.088 0.000 1.139 176 T CB -0.015 68.805 68.868 -0.081 0.000 0.874 176 T HN 0.324 nan 8.240 nan 0.000 0.455 177 R N -0.246 120.209 120.500 -0.075 0.000 2.265 177 R HA 0.270 4.590 4.340 -0.034 0.000 0.194 177 R C 1.627 177.922 176.300 -0.008 0.000 0.931 177 R CA 0.251 56.325 56.100 -0.043 0.000 1.032 177 R CB 0.400 30.671 30.300 -0.049 0.000 0.980 177 R HN 0.216 nan 8.270 nan 0.000 0.497 178 V N -0.073 119.834 119.914 -0.012 0.000 2.950 178 V HA 0.019 4.119 4.120 -0.034 0.000 0.231 178 V C 1.849 177.972 176.094 0.049 0.000 1.205 178 V CA 0.383 62.722 62.300 0.065 0.000 1.239 178 V CB -0.052 31.833 31.823 0.104 0.000 1.050 178 V HN 0.079 nan 8.190 nan 0.000 0.498 179 L N -0.010 121.186 121.223 -0.045 0.000 2.005 179 L HA -0.071 4.249 4.340 -0.034 0.000 0.207 179 L C 2.661 179.487 176.870 -0.074 0.000 1.072 179 L CA 1.451 56.239 54.840 -0.086 0.000 0.744 179 L CB -0.670 41.256 42.059 -0.222 0.000 0.895 179 L HN 0.245 nan 8.230 nan 0.000 0.433 180 K N 0.027 120.375 120.400 -0.087 0.000 2.057 180 K HA -0.110 4.190 4.320 -0.034 0.000 0.207 180 K C 0.001 176.579 176.600 -0.037 0.000 1.049 180 K CA 1.278 57.520 56.287 -0.075 0.000 0.931 180 K CB -1.554 30.900 32.500 -0.077 0.000 0.714 180 K HN 0.288 nan 8.250 nan 0.000 0.440 181 P HA -0.092 nan 4.420 nan 0.000 0.218 181 P C 1.125 178.434 177.300 0.015 0.000 1.148 181 P CA 1.056 64.156 63.100 -0.000 0.000 0.822 181 P CB 0.027 31.733 31.700 0.009 0.000 0.784 182 L N -1.315 119.931 121.223 0.038 0.000 2.611 182 L HA 0.151 4.470 4.340 -0.034 0.000 0.229 182 L C 0.426 177.321 176.870 0.041 0.000 1.137 182 L CA 0.130 55.006 54.840 0.061 0.000 0.901 182 L CB -0.630 41.517 42.059 0.147 0.000 1.098 182 L HN -0.040 nan 8.230 nan 0.000 0.456 183 K N 0.621 121.024 120.400 0.004 0.000 3.117 183 K HA -0.171 4.129 4.320 -0.034 0.000 0.269 183 K C -0.223 176.365 176.600 -0.020 0.000 1.098 183 K CA 0.419 56.698 56.287 -0.013 0.000 0.785 183 K CB -1.772 30.730 32.500 0.002 0.000 1.242 183 K HN 0.329 nan 8.250 nan 0.000 0.491 184 L N 1.194 122.388 121.223 -0.048 0.000 2.422 184 L HA 0.124 4.443 4.340 -0.034 0.000 0.256 184 L C 0.703 177.420 176.870 -0.254 0.000 1.202 184 L CA -0.372 54.412 54.840 -0.094 0.000 1.119 184 L CB 0.296 42.321 42.059 -0.057 0.000 1.383 184 L HN 0.070 nan 8.230 nan 0.000 0.411 185 D N -0.665 119.591 120.400 -0.241 0.000 2.339 185 D HA 0.012 4.632 4.640 -0.034 0.000 0.217 185 D C 0.561 176.305 176.300 -0.926 0.000 1.050 185 D CA 0.662 54.383 54.000 -0.464 0.000 0.856 185 D CB 0.310 40.923 40.800 -0.311 0.000 0.922 185 D HN 0.507 nan 8.370 nan 0.000 0.518 186 H N -1.117 117.622 119.070 -0.553 0.000 2.562 186 H HA 0.286 4.823 4.556 -0.031 0.000 0.249 186 H C -0.595 174.164 175.328 -0.949 0.000 1.195 186 H CA -0.154 55.505 56.048 -0.648 0.000 0.938 186 H CB 0.543 30.198 29.762 -0.178 0.000 1.891 186 H HN -0.248 nan 8.280 nan 0.000 0.595 187 T N 0.630 114.453 114.554 -1.219 0.000 2.809 187 T HA 0.340 4.669 4.350 -0.034 0.000 0.284 187 T C -0.922 173.173 174.700 -1.009 0.000 0.992 187 T CA -0.605 60.953 62.100 -0.904 0.000 0.957 187 T CB 0.889 69.389 68.868 -0.612 0.000 0.942 187 T HN 0.290 nan 8.240 nan 0.000 0.439 188 W N 2.580 123.715 121.300 -0.275 0.000 2.950 188 W HA 0.557 5.193 4.660 -0.041 0.000 0.340 188 W C 0.380 176.744 176.519 -0.259 0.000 1.139 188 W CA -1.091 56.102 57.345 -0.252 0.000 1.188 188 W CB 0.851 30.169 29.460 -0.236 0.000 1.426 188 W HN 0.312 nan 8.180 nan 0.000 0.531 189 I N 1.070 121.673 120.570 0.056 0.000 2.594 189 I HA 0.009 4.159 4.170 -0.034 0.000 0.237 189 I C 0.522 176.625 176.117 -0.023 0.000 1.071 189 I CA 0.859 62.148 61.300 -0.019 0.000 1.427 189 I CB -1.131 36.855 38.000 -0.022 0.000 1.218 189 I HN 0.357 nan 8.210 nan 0.000 0.444 190 N N 1.353 120.036 118.700 -0.028 0.000 2.430 190 N HA 0.256 4.975 4.740 -0.034 0.000 0.292 190 N C -0.593 174.805 175.510 -0.186 0.000 1.051 190 N CA -0.305 52.692 53.050 -0.088 0.000 0.917 190 N CB 2.620 41.062 38.487 -0.075 0.000 1.164 190 N HN -0.186 nan 8.380 nan 0.000 0.484 191 V N 3.969 123.706 119.914 -0.296 0.000 2.508 191 V HA 0.160 4.259 4.120 -0.034 0.000 0.281 191 V C -1.743 174.039 176.094 -0.520 0.000 1.041 191 V CA -1.172 60.790 62.300 -0.563 0.000 1.016 191 V CB 0.507 31.972 31.823 -0.598 0.000 0.984 191 V HN 0.535 nan 8.190 nan 0.000 0.478 192 P HA 0.052 nan 4.420 nan 0.000 0.267 192 P C 0.826 177.927 177.300 -0.332 0.000 1.200 192 P CA -0.169 62.632 63.100 -0.498 0.000 0.772 192 P CB 0.604 31.921 31.700 -0.638 0.000 0.855 193 K N 2.656 122.933 120.400 -0.205 0.000 2.089 193 K HA -0.246 4.054 4.320 -0.034 0.000 0.210 193 K C 1.696 178.220 176.600 -0.126 0.000 1.048 193 K CA 1.892 58.100 56.287 -0.132 0.000 0.926 193 K CB -0.603 31.842 32.500 -0.091 0.000 0.714 193 K HN 0.488 nan 8.250 nan 0.000 0.448 194 A N 0.684 123.418 122.820 -0.143 0.000 2.121 194 A HA -0.101 4.199 4.320 -0.034 0.000 0.218 194 A C 1.304 178.831 177.584 -0.096 0.000 1.154 194 A CA 1.314 53.288 52.037 -0.105 0.000 0.679 194 A CB -0.126 18.819 19.000 -0.093 0.000 0.795 194 A HN 0.345 nan 8.150 nan 0.000 0.458 195 E N -0.701 119.403 120.200 -0.159 0.000 2.501 195 E HA 0.015 4.344 4.350 -0.034 0.000 0.201 195 E C 1.268 177.843 176.600 -0.042 0.000 1.016 195 E CA -0.029 56.337 56.400 -0.055 0.000 0.920 195 E CB 0.064 29.647 29.700 -0.195 0.000 1.023 195 E HN 0.788 nan 8.360 nan 0.000 0.474 196 E N 1.220 121.371 120.200 -0.083 0.000 2.153 196 E HA -0.157 4.172 4.350 -0.034 0.000 0.194 196 E C 1.772 178.361 176.600 -0.019 0.000 0.988 196 E CA 0.862 57.250 56.400 -0.021 0.000 0.811 196 E CB 0.146 29.831 29.700 -0.026 0.000 0.746 196 E HN 0.174 nan 8.360 nan 0.000 0.466 197 A N 0.529 123.278 122.820 -0.117 0.000 2.076 197 A HA -0.180 4.119 4.320 -0.034 0.000 0.220 197 A C 1.595 179.073 177.584 -0.176 0.000 1.160 197 A CA 1.267 53.200 52.037 -0.173 0.000 0.653 197 A CB -0.539 18.288 19.000 -0.288 0.000 0.801 197 A HN 0.334 nan 8.150 nan 0.000 0.455 198 H N -3.049 116.054 119.070 0.055 0.000 2.563 198 H HA 0.065 4.600 4.556 -0.035 0.000 0.264 198 H C -0.210 175.172 175.328 0.088 0.000 0.957 198 H CA 0.005 56.090 56.048 0.063 0.000 1.173 198 H CB -0.110 29.692 29.762 0.067 0.000 1.420 198 H HN 0.465 nan 8.280 nan 0.000 0.551 199 Y N 2.850 123.149 120.300 -0.001 0.000 2.480 199 Y HA 0.351 4.882 4.550 -0.032 0.000 0.341 199 Y C 0.312 176.123 175.900 -0.148 0.000 1.031 199 Y CA -1.638 56.399 58.100 -0.105 0.000 1.295 199 Y CB -0.235 38.109 38.460 -0.192 0.000 1.162 199 Y HN 0.057 nan 8.280 nan 0.000 0.523 200 A N 6.093 128.980 122.820 0.113 0.000 2.448 200 A HA 0.142 4.442 4.320 -0.034 0.000 0.239 200 A C -0.691 176.800 177.584 -0.154 0.000 1.080 200 A CA -0.295 51.751 52.037 0.016 0.000 0.779 200 A CB 0.124 19.082 19.000 -0.070 0.000 1.026 200 A HN 0.860 nan 8.150 nan 0.000 0.499 201 W N 0.211 121.471 121.300 -0.067 0.000 2.316 201 W HA 0.497 5.138 4.660 -0.031 0.000 0.321 201 W C 0.861 177.091 176.519 -0.482 0.000 1.203 201 W CA 0.592 57.772 57.345 -0.276 0.000 1.214 201 W CB 1.177 30.393 29.460 -0.408 0.000 1.169 201 W HN 0.938 nan 8.180 nan 0.000 0.561 202 G N 1.265 109.810 108.800 -0.424 0.000 2.528 202 G HA2 0.518 4.458 3.960 -0.034 0.000 0.289 202 G HA3 0.518 4.458 3.960 -0.034 0.000 0.289 202 G C -2.138 172.352 174.900 -0.683 0.000 1.192 202 G CA -0.430 44.166 45.100 -0.840 0.000 0.921 202 G HN 0.421 nan 8.290 nan 0.000 0.512 203 Y N -0.778 119.433 120.300 -0.148 0.000 2.386 203 Y HA 0.575 5.104 4.550 -0.034 0.000 0.334 203 Y C 0.310 176.202 175.900 -0.012 0.000 1.002 203 Y CA -0.808 57.268 58.100 -0.040 0.000 1.068 203 Y CB 2.548 40.989 38.460 -0.032 0.000 1.203 203 Y HN 0.529 nan 8.280 nan 0.000 0.443 204 R N 2.414 122.988 120.500 0.124 0.000 2.502 204 R HA 0.299 4.618 4.340 -0.034 0.000 0.298 204 R C -1.106 175.242 176.300 0.081 0.000 1.018 204 R CA -0.451 55.703 56.100 0.089 0.000 0.899 204 R CB 0.847 31.181 30.300 0.057 0.000 1.181 204 R HN 0.764 nan 8.270 nan 0.000 0.444 205 D N 3.258 123.702 120.400 0.074 0.000 2.751 205 D HA -0.189 4.430 4.640 -0.034 0.000 0.233 205 D C 0.750 177.085 176.300 0.057 0.000 1.149 205 D CA 2.361 56.393 54.000 0.054 0.000 0.682 205 D CB -0.913 39.910 40.800 0.038 0.000 1.068 205 D HN 1.055 nan 8.370 nan 0.000 0.429 206 G N -0.610 108.242 108.800 0.086 0.000 2.199 206 G HA2 -0.372 3.567 3.960 -0.034 0.000 0.254 206 G HA3 -0.372 3.567 3.960 -0.034 0.000 0.254 206 G C 0.356 175.338 174.900 0.136 0.000 0.982 206 G CA 0.592 45.744 45.100 0.087 0.000 0.632 206 G HN 0.713 nan 8.290 nan 0.000 0.529 207 K N 0.980 121.453 120.400 0.120 0.000 2.185 207 K HA 0.722 5.022 4.320 -0.034 0.000 0.269 207 K C 0.625 177.233 176.600 0.014 0.000 0.987 207 K CA -0.078 56.246 56.287 0.062 0.000 0.865 207 K CB 1.015 33.525 32.500 0.016 0.000 1.090 207 K HN 0.549 nan 8.250 nan 0.000 0.450 208 A N 3.418 126.161 122.820 -0.128 0.000 2.454 208 A HA 0.372 4.671 4.320 -0.034 0.000 0.260 208 A C -0.339 177.157 177.584 -0.146 0.000 1.106 208 A CA -0.331 51.426 52.037 -0.468 0.000 0.780 208 A CB -0.136 18.479 19.000 -0.641 0.000 1.044 208 A HN 0.587 nan 8.150 nan 0.000 0.498 209 V N 0.618 120.532 119.914 -0.000 0.000 3.049 209 V HA 0.897 4.997 4.120 -0.034 0.000 0.309 209 V C -0.578 175.624 176.094 0.180 0.000 1.148 209 V CA -1.127 61.266 62.300 0.155 0.000 0.990 209 V CB 1.873 33.736 31.823 0.066 0.000 1.039 209 V HN 0.977 nan 8.190 nan 0.000 0.430 210 R N 1.259 121.832 120.500 0.121 0.000 2.808 210 R HA 0.846 5.165 4.340 -0.034 0.000 0.272 210 R C -0.315 176.025 176.300 0.067 0.000 0.995 210 R CA -0.305 55.795 56.100 -0.001 0.000 0.917 210 R CB 2.330 32.391 30.300 -0.399 0.000 1.217 210 R HN 1.246 nan 8.270 nan 0.000 0.471 211 A N 1.476 124.358 122.820 0.104 0.000 2.483 211 A HA 0.266 4.565 4.320 -0.034 0.000 0.238 211 A C 0.513 178.143 177.584 0.076 0.000 1.070 211 A CA -0.426 51.670 52.037 0.099 0.000 0.770 211 A CB 0.103 19.173 19.000 0.118 0.000 1.008 211 A HN 0.561 nan 8.150 nan 0.000 0.497 212 V N 1.285 121.242 119.914 0.071 0.000 2.963 212 V HA 0.308 4.407 4.120 -0.034 0.000 0.306 212 V C 0.895 177.024 176.094 0.059 0.000 1.077 212 V CA -0.552 61.782 62.300 0.057 0.000 1.124 212 V CB 0.011 31.865 31.823 0.051 0.000 0.987 212 V HN 1.038 nan 8.190 nan 0.000 0.487 219 L N 0.871 122.005 121.223 -0.148 0.000 2.769 219 L HA 0.173 4.493 4.340 -0.034 0.000 0.240 219 L C 0.777 177.448 176.870 -0.332 0.000 1.163 219 L CA -0.101 54.608 54.840 -0.219 0.000 0.962 219 L CB -0.171 41.820 42.059 -0.114 0.000 1.258 219 L HN 0.579 nan 8.230 nan 0.000 0.513 220 D N 1.324 121.506 120.400 -0.363 0.000 2.149 220 D HA -0.105 4.514 4.640 -0.034 0.000 0.201 220 D C 2.186 178.066 176.300 -0.699 0.000 0.972 220 D CA 1.255 54.830 54.000 -0.708 0.000 0.835 220 D CB 0.368 40.906 40.800 -0.436 0.000 0.966 220 D HN 0.331 nan 8.370 nan 0.000 0.476 221 A N 1.337 123.912 122.820 -0.408 0.000 1.883 221 A HA -0.257 4.043 4.320 -0.034 0.000 0.217 221 A C 2.188 179.586 177.584 -0.310 0.000 1.186 221 A CA 1.599 53.476 52.037 -0.267 0.000 0.624 221 A CB -0.631 18.316 19.000 -0.087 0.000 0.822 221 A HN 0.075 nan 8.150 nan 0.000 0.444 222 Q N -0.620 118.840 119.800 -0.568 0.000 2.226 222 Q HA 0.078 4.397 4.340 -0.034 0.000 0.204 222 Q C 2.031 177.886 176.000 -0.241 0.000 0.975 222 Q CA 1.768 57.231 55.803 -0.566 0.000 0.866 222 Q CB -0.389 27.935 28.738 -0.690 0.000 0.915 222 Q HN 0.696 nan 8.270 nan 0.000 0.440 223 A N -1.020 121.620 122.820 -0.300 0.000 1.993 223 A HA 0.106 4.405 4.320 -0.034 0.000 0.207 223 A C 0.724 178.320 177.584 0.020 0.000 1.224 223 A CA 0.685 52.646 52.037 -0.126 0.000 0.749 223 A CB 0.155 19.088 19.000 -0.113 0.000 0.884 223 A HN 0.489 nan 8.150 nan 0.000 0.467 224 Y N -4.258 116.046 120.300 0.005 0.000 3.024 224 Y HA 0.440 4.973 4.550 -0.029 0.000 0.283 224 Y C 1.086 176.985 175.900 -0.001 0.000 1.040 224 Y CA -0.472 57.643 58.100 0.025 0.000 1.283 224 Y CB -0.507 37.978 38.460 0.042 0.000 1.367 224 Y HN 0.005 nan 8.280 nan 0.000 0.589 225 G N 0.869 109.632 108.800 -0.062 0.000 3.042 225 G HA2 0.296 4.236 3.960 -0.034 0.000 0.212 225 G HA3 0.296 4.236 3.960 -0.034 0.000 0.212 225 G C -0.064 174.802 174.900 -0.056 0.000 1.166 225 G CA 0.210 45.291 45.100 -0.033 0.000 0.767 225 G HN 0.108 nan 8.290 nan 0.000 0.546 226 V N 0.550 120.409 119.914 -0.092 0.000 2.649 226 V HA 0.388 4.488 4.120 -0.034 0.000 0.292 226 V C -0.235 175.762 176.094 -0.162 0.000 1.055 226 V CA -0.355 61.827 62.300 -0.196 0.000 1.023 226 V CB 1.445 33.038 31.823 -0.384 0.000 0.992 226 V HN 0.158 nan 8.190 nan 0.000 0.480 227 K N 2.130 122.425 120.400 -0.175 0.000 2.259 227 K HA 0.785 5.085 4.320 -0.034 0.000 0.252 227 K C -0.354 176.171 176.600 -0.125 0.000 0.936 227 K CA -0.363 55.830 56.287 -0.156 0.000 0.810 227 K CB 2.111 34.462 32.500 -0.248 0.000 1.143 227 K HN 0.791 nan 8.250 nan 0.000 0.427 228 T N 0.459 114.986 114.554 -0.045 0.000 2.739 228 T HA 0.422 4.751 4.350 -0.034 0.000 0.303 228 T C -1.676 173.093 174.700 0.116 0.000 1.389 228 T CA -0.874 61.206 62.100 -0.032 0.000 1.001 228 T CB 0.784 69.594 68.868 -0.095 0.000 1.436 228 T HN 0.764 nan 8.240 nan 0.000 0.500 229 N N 0.183 118.942 118.700 0.099 0.000 2.530 229 N HA 0.429 5.148 4.740 -0.034 0.000 0.283 229 N C 0.881 176.477 175.510 0.144 0.000 1.238 229 N CA -0.569 52.579 53.050 0.164 0.000 0.971 229 N CB 0.410 38.929 38.487 0.054 0.000 1.195 229 N HN 0.267 nan 8.380 nan 0.000 0.583 230 V N -0.196 119.804 119.914 0.144 0.000 2.970 230 V HA -0.135 3.964 4.120 -0.034 0.000 0.260 230 V C 1.838 178.036 176.094 0.173 0.000 1.100 230 V CA 1.644 64.039 62.300 0.159 0.000 1.122 230 V CB -0.848 31.084 31.823 0.181 0.000 0.721 230 V HN 0.626 nan 8.190 nan 0.000 0.483 231 Q N -0.690 119.110 119.800 -0.001 0.000 2.049 231 Q HA -0.179 4.140 4.340 -0.034 0.000 0.198 231 Q C 1.966 178.044 176.000 0.130 0.000 0.971 231 Q CA 1.862 57.675 55.803 0.017 0.000 0.833 231 Q CB -0.187 28.442 28.738 -0.182 0.000 0.896 231 Q HN 0.557 nan 8.270 nan 0.000 0.434 232 D N 0.486 120.935 120.400 0.082 0.000 2.117 232 D HA -0.161 4.459 4.640 -0.034 0.000 0.197 232 D C 1.695 178.117 176.300 0.203 0.000 0.987 232 D CA 1.094 55.157 54.000 0.104 0.000 0.829 232 D CB -0.066 40.747 40.800 0.021 0.000 0.961 232 D HN 0.080 nan 8.370 nan 0.000 0.460 233 M N 0.526 120.254 119.600 0.214 0.000 2.175 233 M HA 0.018 4.478 4.480 -0.034 0.000 0.264 233 M C 1.814 178.291 176.300 0.295 0.000 1.063 233 M CA 1.109 56.591 55.300 0.303 0.000 1.119 233 M CB -0.321 32.435 32.600 0.260 0.000 1.377 233 M HN -0.015 nan 8.290 nan 0.000 0.415 234 A N 0.182 123.154 122.820 0.252 0.000 1.902 234 A HA -0.165 4.134 4.320 -0.034 0.000 0.217 234 A C 2.035 179.689 177.584 0.117 0.000 1.181 234 A CA 1.962 54.108 52.037 0.182 0.000 0.623 234 A CB -0.950 18.183 19.000 0.221 0.000 0.818 234 A HN 0.644 nan 8.150 nan 0.000 0.443 235 N N -1.204 117.591 118.700 0.158 0.000 2.270 235 N HA -0.146 4.574 4.740 -0.034 0.000 0.181 235 N C 1.617 177.217 175.510 0.149 0.000 1.016 235 N CA 1.039 54.157 53.050 0.113 0.000 0.870 235 N CB -0.376 38.181 38.487 0.117 0.000 0.979 235 N HN 0.827 nan 8.380 nan 0.000 0.431 236 W N 1.997 123.308 121.300 0.019 0.000 2.355 236 W HA -0.175 4.465 4.660 -0.033 0.000 0.309 236 W C 1.567 178.030 176.519 -0.092 0.000 1.206 236 W CA 0.955 58.297 57.345 -0.005 0.000 1.284 236 W CB -0.089 29.409 29.460 0.063 0.000 1.145 236 W HN -0.194 nan 8.180 nan 0.000 0.502 237 V N 1.733 121.595 119.914 -0.087 0.000 2.343 237 V HA -0.372 3.727 4.120 -0.034 0.000 0.247 237 V C 2.434 178.179 176.094 -0.582 0.000 1.051 237 V CA 2.220 64.269 62.300 -0.419 0.000 1.036 237 V CB -0.853 30.855 31.823 -0.192 0.000 0.654 237 V HN 0.234 nan 8.190 nan 0.000 0.451 238 M N -0.438 118.970 119.600 -0.321 0.000 2.159 238 M HA -0.148 4.312 4.480 -0.034 0.000 0.263 238 M C 2.359 178.453 176.300 -0.344 0.000 1.063 238 M CA 1.984 57.100 55.300 -0.306 0.000 1.110 238 M CB -0.510 31.992 32.600 -0.164 0.000 1.374 238 M HN 0.425 nan 8.290 nan 0.000 0.411 239 A N 0.532 123.165 122.820 -0.312 0.000 1.933 239 A HA -0.153 4.146 4.320 -0.034 0.000 0.218 239 A C 1.861 179.179 177.584 -0.444 0.000 1.175 239 A CA 1.630 53.489 52.037 -0.296 0.000 0.628 239 A CB -0.757 18.131 19.000 -0.187 0.000 0.814 239 A HN 0.523 nan 8.150 nan 0.000 0.444 240 N N -1.122 117.155 118.700 -0.704 0.000 2.300 240 N HA -0.060 4.659 4.740 -0.034 0.000 0.179 240 N C 1.773 176.804 175.510 -0.798 0.000 1.016 240 N CA 1.348 53.924 53.050 -0.791 0.000 0.876 240 N CB -0.171 37.690 38.487 -1.045 0.000 0.979 240 N HN 0.611 nan 8.380 nan 0.000 0.432 241 M N 0.526 119.538 119.600 -0.980 0.000 2.175 241 M HA -0.021 4.439 4.480 -0.034 0.000 0.264 241 M C 0.323 176.418 176.300 -0.342 0.000 1.063 241 M CA 1.209 56.087 55.300 -0.705 0.000 1.119 241 M CB 0.289 32.498 32.600 -0.651 0.000 1.377 241 M HN -0.025 nan 8.290 nan 0.000 0.415 242 A N 0.215 122.848 122.820 -0.312 0.000 3.317 242 A HA 0.416 4.715 4.320 -0.034 0.000 0.307 242 A C -2.147 175.332 177.584 -0.175 0.000 1.003 242 A CA -1.051 50.864 52.037 -0.204 0.000 0.882 242 A CB -0.121 18.775 19.000 -0.174 0.000 1.136 242 A HN 0.287 nan 8.150 nan 0.000 0.488 243 P HA -0.187 nan 4.420 nan 0.000 0.225 243 P C 1.056 178.301 177.300 -0.092 0.000 1.148 243 P CA 1.054 64.075 63.100 -0.131 0.000 0.779 243 P CB 0.232 31.859 31.700 -0.121 0.000 0.780 244 E N 0.466 120.614 120.200 -0.088 0.000 2.209 244 E HA -0.186 4.144 4.350 -0.034 0.000 0.196 244 E C 0.981 177.543 176.600 -0.062 0.000 0.993 244 E CA 1.032 57.392 56.400 -0.067 0.000 0.819 244 E CB -1.164 28.497 29.700 -0.065 0.000 0.745 244 E HN 0.292 nan 8.360 nan 0.000 0.477 245 N N 0.800 119.456 118.700 -0.073 0.000 2.336 245 N HA 0.061 4.780 4.740 -0.034 0.000 0.189 245 N C -0.257 175.220 175.510 -0.055 0.000 1.113 245 N CA 0.090 53.102 53.050 -0.064 0.000 0.858 245 N CB 0.841 39.284 38.487 -0.074 0.000 0.970 245 N HN -0.008 nan 8.380 nan 0.000 0.471 246 V N 1.440 121.320 119.914 -0.056 0.000 2.432 246 V HA 0.247 4.347 4.120 -0.034 0.000 0.271 246 V C 1.258 177.335 176.094 -0.029 0.000 1.046 246 V CA -0.309 61.967 62.300 -0.040 0.000 0.945 246 V CB 1.120 32.916 31.823 -0.044 0.000 0.992 246 V HN 0.143 nan 8.190 nan 0.000 0.471 247 A N 3.473 126.281 122.820 -0.021 0.000 1.935 247 A HA -0.015 4.285 4.320 -0.034 0.000 0.214 247 A C 1.241 178.817 177.584 -0.012 0.000 1.178 247 A CA 0.436 52.463 52.037 -0.018 0.000 0.640 247 A CB -0.138 18.853 19.000 -0.016 0.000 0.825 247 A HN 0.799 nan 8.150 nan 0.000 0.447 248 D N 0.530 120.925 120.400 -0.008 0.000 2.412 248 D HA 0.299 4.919 4.640 -0.034 0.000 0.257 248 D C 1.234 177.533 176.300 -0.002 0.000 1.217 248 D CA 0.540 54.538 54.000 -0.003 0.000 0.897 248 D CB 1.236 42.037 40.800 0.002 0.000 1.132 248 D HN 0.181 nan 8.370 nan 0.000 0.493 249 A N 3.450 126.268 122.820 -0.003 0.000 1.930 249 A HA -0.125 4.175 4.320 -0.034 0.000 0.217 249 A C 2.248 179.835 177.584 0.004 0.000 1.175 249 A CA 1.152 53.187 52.037 -0.002 0.000 0.627 249 A CB -0.049 18.950 19.000 -0.002 0.000 0.815 249 A HN 0.590 nan 8.150 nan 0.000 0.443 250 S N -0.593 115.112 115.700 0.008 0.000 2.414 250 S HA -0.048 4.401 4.470 -0.034 0.000 0.227 250 S C 1.777 176.391 174.600 0.024 0.000 1.022 250 S CA 1.075 59.284 58.200 0.016 0.000 0.958 250 S CB -0.279 62.930 63.200 0.014 0.000 0.797 250 S HN 0.455 nan 8.310 nan 0.000 0.493 251 L N 2.611 123.848 121.223 0.022 0.000 2.056 251 L HA 0.036 4.355 4.340 -0.034 0.000 0.207 251 L C 2.199 179.084 176.870 0.025 0.000 1.078 251 L CA 1.797 56.658 54.840 0.035 0.000 0.749 251 L CB -0.641 41.441 42.059 0.038 0.000 0.901 251 L HN 0.149 nan 8.230 nan 0.000 0.433 252 K N -0.814 119.589 120.400 0.005 0.000 2.032 252 K HA -0.254 4.046 4.320 -0.034 0.000 0.209 252 K C 2.037 178.634 176.600 -0.005 0.000 1.048 252 K CA 2.081 58.360 56.287 -0.013 0.000 0.927 252 K CB -0.208 32.280 32.500 -0.020 0.000 0.712 252 K HN 0.536 nan 8.250 nan 0.000 0.441 253 Q N -0.637 119.169 119.800 0.009 0.000 2.119 253 Q HA -0.085 4.235 4.340 -0.034 0.000 0.201 253 Q C 2.160 178.185 176.000 0.042 0.000 0.972 253 Q CA 1.332 57.147 55.803 0.019 0.000 0.847 253 Q CB -0.136 28.615 28.738 0.023 0.000 0.903 253 Q HN 0.569 nan 8.270 nan 0.000 0.433 254 G N 0.941 109.774 108.800 0.054 0.000 2.422 254 G HA2 -0.214 3.725 3.960 -0.034 0.000 0.218 254 G HA3 -0.214 3.725 3.960 -0.034 0.000 0.218 254 G C 1.398 176.359 174.900 0.101 0.000 1.146 254 G CA 0.453 45.606 45.100 0.087 0.000 0.769 254 G HN 0.214 nan 8.290 nan 0.000 0.547 255 I N 1.311 121.916 120.570 0.058 0.000 2.226 255 I HA -0.180 3.970 4.170 -0.034 0.000 0.245 255 I C 3.259 179.392 176.117 0.028 0.000 1.100 255 I CA 1.018 62.333 61.300 0.025 0.000 1.374 255 I CB -0.145 37.811 38.000 -0.073 0.000 1.057 255 I HN 0.242 nan 8.210 nan 0.000 0.413 256 A N 0.737 123.565 122.820 0.012 0.000 1.930 256 A HA -0.131 4.169 4.320 -0.034 0.000 0.217 256 A C 2.274 179.891 177.584 0.056 0.000 1.175 256 A CA 1.273 53.314 52.037 0.007 0.000 0.627 256 A CB -0.801 18.193 19.000 -0.011 0.000 0.815 256 A HN 0.384 nan 8.150 nan 0.000 0.443 257 L N -0.842 120.440 121.223 0.099 0.000 2.131 257 L HA -0.176 4.144 4.340 -0.034 0.000 0.210 257 L C 2.940 179.973 176.870 0.271 0.000 1.092 257 L CA 0.946 55.891 54.840 0.175 0.000 0.759 257 L CB -0.408 41.760 42.059 0.181 0.000 0.903 257 L HN 0.438 nan 8.230 nan 0.000 0.435 258 A N -0.999 121.969 122.820 0.245 0.000 2.066 258 A HA -0.146 4.153 4.320 -0.034 0.000 0.218 258 A C 2.056 179.862 177.584 0.371 0.000 1.157 258 A CA 0.956 53.194 52.037 0.334 0.000 0.670 258 A CB -0.175 19.058 19.000 0.388 0.000 0.804 258 A HN 0.452 nan 8.150 nan 0.000 0.453 259 Q N 0.077 120.003 119.800 0.210 0.000 2.247 259 Q HA 0.194 4.514 4.340 -0.034 0.000 0.204 259 Q C -0.259 175.763 176.000 0.038 0.000 0.872 259 Q CA -0.322 55.541 55.803 0.099 0.000 0.951 259 Q CB 0.426 29.134 28.738 -0.050 0.000 1.099 259 Q HN 0.516 nan 8.270 nan 0.000 0.501 260 S N 0.756 116.481 115.700 0.041 0.000 2.592 260 S HA 0.291 4.740 4.470 -0.034 0.000 0.271 260 S C -0.057 174.383 174.600 -0.267 0.000 1.326 260 S CA -0.361 57.728 58.200 -0.185 0.000 1.024 260 S CB 0.685 63.683 63.200 -0.338 0.000 0.921 260 S HN 0.181 nan 8.310 nan 0.000 0.527 261 R N 1.112 121.402 120.500 -0.349 0.000 2.221 261 R HA 0.319 4.638 4.340 -0.034 0.000 0.327 261 R C -0.429 175.633 176.300 -0.396 0.000 1.033 261 R CA -0.022 55.959 56.100 -0.198 0.000 0.887 261 R CB 0.228 30.433 30.300 -0.159 0.000 1.057 261 R HN 0.665 nan 8.270 nan 0.000 0.455 262 Y N 0.170 120.454 120.300 -0.026 0.000 2.535 262 Y HA 0.267 4.797 4.550 -0.033 0.000 0.266 262 Y C -0.148 175.392 175.900 -0.600 0.000 1.088 262 Y CA 0.030 57.938 58.100 -0.321 0.000 1.285 262 Y CB 0.640 38.926 38.460 -0.291 0.000 1.166 262 Y HN 0.463 nan 8.280 nan 0.000 0.525 263 W N -0.204 121.248 121.300 0.253 0.000 3.217 263 W HA 0.546 5.184 4.660 -0.036 0.000 0.323 263 W C -0.671 175.949 176.519 0.168 0.000 1.216 263 W CA -1.195 56.256 57.345 0.176 0.000 1.194 263 W CB 1.101 30.642 29.460 0.134 0.000 1.397 263 W HN -0.509 nan 8.180 nan 0.000 0.537 264 R N 2.195 122.875 120.500 0.300 0.000 2.393 264 R HA 0.724 5.044 4.340 -0.034 0.000 0.310 264 R C -1.380 174.919 176.300 -0.001 0.000 0.968 264 R CA -0.644 55.442 56.100 -0.023 0.000 0.867 264 R CB 0.734 30.960 30.300 -0.124 0.000 1.124 264 R HN 0.553 nan 8.270 nan 0.000 0.450 265 I N 5.032 125.550 120.570 -0.087 0.000 2.521 265 I HA 0.319 4.468 4.170 -0.034 0.000 0.277 265 I C 0.820 176.885 176.117 -0.086 0.000 1.054 265 I CA -0.064 61.209 61.300 -0.044 0.000 1.117 265 I CB 1.605 39.609 38.000 0.006 0.000 1.217 265 I HN 0.986 nan 8.210 nan 0.000 0.469 266 G N 4.715 113.464 108.800 -0.085 0.000 2.596 266 G HA2 -0.356 3.583 3.960 -0.034 0.000 0.304 266 G HA3 -0.356 3.583 3.960 -0.034 0.000 0.304 266 G C 0.892 175.716 174.900 -0.128 0.000 1.189 266 G CA 0.681 45.732 45.100 -0.082 0.000 0.986 266 G HN 0.821 nan 8.290 nan 0.000 0.548 267 S N 0.403 116.045 115.700 -0.096 0.000 2.575 267 S HA 0.478 4.927 4.470 -0.034 0.000 0.215 267 S C 0.987 175.531 174.600 -0.093 0.000 0.966 267 S CA 1.158 59.305 58.200 -0.087 0.000 0.911 267 S CB -0.251 62.925 63.200 -0.039 0.000 0.780 267 S HN 1.253 nan 8.310 nan 0.000 0.514 268 M N -0.467 119.055 119.600 -0.130 0.000 2.777 268 M HA 0.768 5.228 4.480 -0.034 0.000 0.307 268 M C -1.832 174.322 176.300 -0.243 0.000 1.228 268 M CA -1.044 54.244 55.300 -0.020 0.000 0.871 268 M CB 1.167 33.852 32.600 0.142 0.000 1.721 268 M HN -0.026 nan 8.290 nan 0.000 0.487 269 Y N -0.160 120.254 120.300 0.191 0.000 2.425 269 Y HA 0.504 5.033 4.550 -0.035 0.000 0.344 269 Y C -0.765 175.296 175.900 0.267 0.000 0.969 269 Y CA -0.690 57.533 58.100 0.205 0.000 1.052 269 Y CB 2.042 40.590 38.460 0.147 0.000 1.215 269 Y HN 0.672 nan 8.280 nan 0.000 0.451 270 Q N 1.676 121.754 119.800 0.463 0.000 2.303 270 Q HA 0.602 4.922 4.340 -0.034 0.000 0.257 270 Q C -0.012 176.273 176.000 0.476 0.000 0.941 270 Q CA -0.200 55.873 55.803 0.450 0.000 0.931 270 Q CB 1.251 30.265 28.738 0.460 0.000 1.215 270 Q HN 0.901 nan 8.270 nan 0.000 0.437 271 G N 2.712 111.767 108.800 0.425 0.000 2.641 271 G HA2 0.481 4.420 3.960 -0.034 0.000 0.239 271 G HA3 0.481 4.420 3.960 -0.034 0.000 0.239 271 G C -0.913 174.142 174.900 0.258 0.000 1.402 271 G CA -0.856 44.517 45.100 0.454 0.000 1.046 271 G HN 0.609 nan 8.290 nan 0.000 0.565 272 L N 1.144 122.494 121.223 0.211 0.000 2.288 272 L HA 0.455 4.775 4.340 -0.034 0.000 0.283 272 L C 1.399 178.317 176.870 0.078 0.000 1.072 272 L CA 0.371 55.214 54.840 0.005 0.000 0.862 272 L CB 0.341 42.389 42.059 -0.020 0.000 1.245 272 L HN 1.034 nan 8.230 nan 0.000 0.432 273 G N 1.929 110.743 108.800 0.023 0.000 4.039 273 G HA2 -0.308 3.631 3.960 -0.034 0.000 0.220 273 G HA3 -0.308 3.631 3.960 -0.034 0.000 0.220 273 G C 0.033 174.977 174.900 0.074 0.000 1.391 273 G CA -0.154 44.958 45.100 0.019 0.000 0.920 273 G HN 0.518 nan 8.290 nan 0.000 0.599 274 W N 2.510 123.927 121.300 0.195 0.000 2.170 274 W HA 0.549 5.188 4.660 -0.034 0.000 0.342 274 W C 0.903 177.560 176.519 0.229 0.000 1.294 274 W CA -0.044 57.413 57.345 0.187 0.000 1.246 274 W CB 0.360 29.902 29.460 0.136 0.000 1.156 274 W HN 0.352 nan 8.180 nan 0.000 0.572 275 E N 1.457 121.996 120.200 0.565 0.000 2.277 275 E HA 0.607 4.936 4.350 -0.034 0.000 0.266 275 E C -0.923 175.983 176.600 0.510 0.000 0.901 275 E CA -1.257 55.449 56.400 0.509 0.000 0.782 275 E CB 1.857 31.848 29.700 0.486 0.000 1.228 275 E HN 0.179 nan 8.360 nan 0.000 0.424 276 M N 1.716 121.572 119.600 0.426 0.000 2.501 276 M HA 0.414 4.874 4.480 -0.034 0.000 0.293 276 M C -1.586 174.944 176.300 0.383 0.000 1.192 276 M CA -0.358 55.131 55.300 0.316 0.000 0.886 276 M CB 1.780 34.499 32.600 0.199 0.000 1.710 276 M HN 0.283 nan 8.290 nan 0.000 0.457 277 L N 1.749 123.162 121.223 0.317 0.000 2.354 277 L HA 0.601 4.920 4.340 -0.034 0.000 0.269 277 L C -0.266 176.778 176.870 0.291 0.000 1.005 277 L CA -0.727 54.304 54.840 0.317 0.000 0.819 277 L CB 1.545 43.711 42.059 0.179 0.000 1.311 277 L HN 0.573 nan 8.230 nan 0.000 0.423 278 N N 0.863 119.727 118.700 0.273 0.000 2.492 278 N HA -0.008 4.712 4.740 -0.034 0.000 0.262 278 N C -0.994 174.650 175.510 0.223 0.000 1.202 278 N CA -0.047 53.116 53.050 0.188 0.000 0.926 278 N CB 0.899 39.467 38.487 0.134 0.000 1.078 278 N HN 0.549 nan 8.380 nan 0.000 0.454 279 W N 3.519 124.858 121.300 0.065 0.000 2.417 279 W HA 0.343 4.982 4.660 -0.034 0.000 0.317 279 W C -2.313 174.233 176.519 0.045 0.000 1.121 279 W CA -1.590 55.800 57.345 0.075 0.000 1.208 279 W CB 0.938 30.448 29.460 0.083 0.000 1.253 279 W HN 0.378 nan 8.180 nan 0.000 0.533 280 P HA 0.199 nan 4.420 nan 0.000 0.275 280 P C -1.150 175.692 177.300 -0.763 0.000 1.228 280 P CA -0.228 61.941 63.100 -1.550 0.000 0.786 280 P CB 1.745 32.828 31.700 -1.029 0.000 0.927 281 V N 1.908 121.337 119.914 -0.808 0.000 2.841 281 V HA 0.275 4.374 4.120 -0.034 0.000 0.310 281 V C -0.510 175.433 176.094 -0.252 0.000 1.090 281 V CA -0.798 61.310 62.300 -0.320 0.000 0.930 281 V CB 2.147 33.900 31.823 -0.117 0.000 1.014 281 V HN 0.432 nan 8.190 nan 0.000 0.425 282 E N 3.203 123.267 120.200 -0.227 0.000 2.349 282 E HA 0.393 4.723 4.350 -0.034 0.000 0.262 282 E C 1.026 177.327 176.600 -0.499 0.000 1.088 282 E CA 0.334 56.584 56.400 -0.250 0.000 0.899 282 E CB 1.712 31.290 29.700 -0.203 0.000 1.044 282 E HN 0.816 nan 8.360 nan 0.000 0.420 283 A N 3.094 125.382 122.820 -0.887 0.000 1.908 283 A HA -0.259 4.040 4.320 -0.034 0.000 0.218 283 A C 1.635 178.903 177.584 -0.527 0.000 1.181 283 A CA 2.071 53.424 52.037 -1.139 0.000 0.627 283 A CB -0.687 17.674 19.000 -1.063 0.000 0.818 283 A HN 0.702 nan 8.150 nan 0.000 0.445 284 N N -0.043 118.452 118.700 -0.343 0.000 2.223 284 N HA -0.124 4.595 4.740 -0.034 0.000 0.185 284 N C 1.355 176.754 175.510 -0.185 0.000 1.016 284 N CA 2.205 55.124 53.050 -0.217 0.000 0.863 284 N CB -1.584 36.810 38.487 -0.155 0.000 0.983 284 N HN 0.348 nan 8.380 nan 0.000 0.429 285 T N 0.937 115.371 114.554 -0.200 0.000 2.684 285 T HA -0.061 4.269 4.350 -0.034 0.000 0.267 285 T C 2.022 176.637 174.700 -0.142 0.000 1.036 285 T CA 1.857 63.866 62.100 -0.152 0.000 1.148 285 T CB -0.416 68.361 68.868 -0.151 0.000 0.863 285 T HN 0.125 nan 8.240 nan 0.000 0.436 286 V N 1.010 120.791 119.914 -0.221 0.000 2.379 286 V HA -0.098 4.002 4.120 -0.034 0.000 0.245 286 V C 2.669 178.719 176.094 -0.074 0.000 1.044 286 V CA 1.085 63.281 62.300 -0.174 0.000 1.036 286 V CB -0.789 30.805 31.823 -0.382 0.000 0.664 286 V HN 0.295 nan 8.190 nan 0.000 0.453 287 V N 0.884 120.719 119.914 -0.131 0.000 2.295 287 V HA -0.284 3.815 4.120 -0.034 0.000 0.246 287 V C 2.573 178.628 176.094 -0.064 0.000 1.049 287 V CA 2.399 64.644 62.300 -0.093 0.000 1.024 287 V CB -0.668 31.082 31.823 -0.120 0.000 0.648 287 V HN 0.795 nan 8.190 nan 0.000 0.447 288 E N 0.870 121.027 120.200 -0.073 0.000 2.150 288 E HA -0.149 4.180 4.350 -0.034 0.000 0.193 288 E C 2.142 178.722 176.600 -0.033 0.000 0.985 288 E CA 1.397 57.764 56.400 -0.054 0.000 0.814 288 E CB -0.474 29.190 29.700 -0.059 0.000 0.752 288 E HN 0.537 nan 8.360 nan 0.000 0.466 289 G N 0.785 109.576 108.800 -0.016 0.000 2.534 289 G HA2 -0.221 3.719 3.960 -0.034 0.000 0.217 289 G HA3 -0.221 3.719 3.960 -0.034 0.000 0.217 289 G C 1.646 176.558 174.900 0.019 0.000 1.128 289 G CA 0.767 45.875 45.100 0.014 0.000 0.784 289 G HN 0.421 nan 8.290 nan 0.000 0.542 290 S N -0.552 115.153 115.700 0.010 0.000 2.528 290 S HA 0.042 4.491 4.470 -0.034 0.000 0.219 290 S C 0.711 175.281 174.600 -0.051 0.000 0.985 290 S CA -0.152 58.040 58.200 -0.013 0.000 0.914 290 S CB 0.015 63.202 63.200 -0.022 0.000 0.776 290 S HN 0.296 nan 8.310 nan 0.000 0.526 291 D N 2.577 122.951 120.400 -0.044 0.000 2.458 291 D HA 0.039 4.658 4.640 -0.034 0.000 0.243 291 D C 1.344 177.612 176.300 -0.054 0.000 1.146 291 D CA 0.657 54.629 54.000 -0.047 0.000 0.877 291 D CB 1.383 42.161 40.800 -0.037 0.000 1.176 291 D HN 0.437 nan 8.370 nan 0.000 0.461 292 S N 2.606 118.271 115.700 -0.059 0.000 2.402 292 S HA -0.236 4.213 4.470 -0.034 0.000 0.233 292 S C 1.893 176.465 174.600 -0.047 0.000 1.030 292 S CA 1.077 59.238 58.200 -0.064 0.000 1.003 292 S CB -0.114 63.055 63.200 -0.052 0.000 0.813 292 S HN 0.401 nan 8.310 nan 0.000 0.477 293 K N 0.478 120.858 120.400 -0.032 0.000 2.209 293 K HA 0.067 4.366 4.320 -0.034 0.000 0.204 293 K C 2.014 178.601 176.600 -0.022 0.000 1.048 293 K CA 1.207 57.482 56.287 -0.021 0.000 0.940 293 K CB -0.933 31.558 32.500 -0.016 0.000 0.729 293 K HN 0.542 nan 8.250 nan 0.000 0.451 294 V N -0.321 119.575 119.914 -0.031 0.000 2.436 294 V HA 0.159 4.258 4.120 -0.034 0.000 0.240 294 V C 2.604 178.673 176.094 -0.041 0.000 1.040 294 V CA 1.435 63.717 62.300 -0.030 0.000 1.052 294 V CB -0.661 31.146 31.823 -0.027 0.000 0.707 294 V HN 0.531 nan 8.190 nan 0.000 0.469 295 A N -0.260 122.521 122.820 -0.064 0.000 2.019 295 A HA -0.071 4.229 4.320 -0.034 0.000 0.219 295 A C 2.034 179.541 177.584 -0.127 0.000 1.164 295 A CA 1.534 53.505 52.037 -0.110 0.000 0.644 295 A CB -0.431 18.469 19.000 -0.166 0.000 0.805 295 A HN 0.515 nan 8.150 nan 0.000 0.449 296 L N -0.977 120.195 121.223 -0.085 0.000 2.640 296 L HA 0.259 4.579 4.340 -0.034 0.000 0.230 296 L C 1.145 178.017 176.870 0.002 0.000 1.123 296 L CA -0.157 54.660 54.840 -0.038 0.000 0.900 296 L CB -0.176 41.866 42.059 -0.029 0.000 1.146 296 L HN 0.363 nan 8.230 nan 0.000 0.484 297 A N 1.556 124.370 122.820 -0.010 0.000 2.371 297 A HA 0.441 4.741 4.320 -0.034 0.000 0.257 297 A C -2.228 175.342 177.584 -0.024 0.000 1.089 297 A CA -1.012 51.025 52.037 -0.001 0.000 0.794 297 A CB -0.304 18.689 19.000 -0.011 0.000 1.029 297 A HN -0.082 nan 8.150 nan 0.000 0.488 298 P HA 0.418 nan 4.420 nan 0.000 0.282 298 P C -1.109 176.067 177.300 -0.206 0.000 1.274 298 P CA 0.292 63.294 63.100 -0.164 0.000 0.770 298 P CB 0.573 32.184 31.700 -0.149 0.000 0.867 299 L N 5.700 126.780 121.223 -0.239 0.000 2.388 299 L HA 0.524 4.844 4.340 -0.034 0.000 0.264 299 L C -2.423 174.302 176.870 -0.242 0.000 0.998 299 L CA -2.886 51.840 54.840 -0.190 0.000 0.817 299 L CB 2.644 44.639 42.059 -0.106 0.000 1.338 299 L HN 0.120 nan 8.230 nan 0.000 0.414 300 P HA 0.138 nan 4.420 nan 0.000 0.271 300 P C -0.910 176.321 177.300 -0.115 0.000 1.218 300 P CA -0.278 62.717 63.100 -0.176 0.000 0.780 300 P CB 0.953 32.590 31.700 -0.104 0.000 0.901 301 V N -1.000 118.848 119.914 -0.110 0.000 2.881 301 V HA 0.923 5.022 4.120 -0.034 0.000 0.316 301 V C -0.537 175.635 176.094 0.131 0.000 1.070 301 V CA -1.451 60.848 62.300 -0.001 0.000 0.976 301 V CB 1.582 33.332 31.823 -0.121 0.000 1.038 301 V HN 0.599 nan 8.190 nan 0.000 0.446 302 A N 1.946 124.906 122.820 0.234 0.000 2.304 302 A HA 0.601 4.901 4.320 -0.034 0.000 0.314 302 A C -0.107 177.697 177.584 0.366 0.000 1.187 302 A CA -0.585 51.597 52.037 0.242 0.000 0.810 302 A CB 0.671 19.751 19.000 0.133 0.000 1.183 302 A HN 1.014 nan 8.150 nan 0.000 0.487 303 E N 1.721 122.124 120.200 0.337 0.000 2.384 303 E HA 0.298 4.627 4.350 -0.034 0.000 0.266 303 E C -0.885 175.677 176.600 -0.064 0.000 1.012 303 E CA -0.019 56.398 56.400 0.028 0.000 0.901 303 E CB 0.644 30.328 29.700 -0.027 0.000 0.967 303 E HN 0.393 nan 8.360 nan 0.000 0.435 304 V N 6.173 125.959 119.914 -0.214 0.000 2.294 304 V HA 0.212 4.312 4.120 -0.034 0.000 0.272 304 V C -0.012 175.956 176.094 -0.209 0.000 1.027 304 V CA -0.485 61.728 62.300 -0.146 0.000 0.823 304 V CB 0.454 32.211 31.823 -0.110 0.000 1.030 304 V HN 0.597 nan 8.190 nan 0.000 0.457 305 N N 5.326 123.945 118.700 -0.134 0.000 2.504 305 N HA 0.507 5.227 4.740 -0.034 0.000 0.280 305 N C -2.583 172.884 175.510 -0.070 0.000 1.052 305 N CA -1.081 51.901 53.050 -0.114 0.000 0.887 305 N CB 2.725 41.153 38.487 -0.098 0.000 1.323 305 N HN 0.402 nan 8.380 nan 0.000 0.509 306 P HA 0.368 nan 4.420 nan 0.000 0.274 306 P C -2.698 174.517 177.300 -0.141 0.000 1.237 306 P CA -0.940 62.109 63.100 -0.084 0.000 0.793 306 P CB -0.182 31.483 31.700 -0.060 0.000 0.977 307 P HA 0.112 nan 4.420 nan 0.000 0.267 307 P C -0.745 176.381 177.300 -0.290 0.000 1.200 307 P CA 0.140 63.026 63.100 -0.356 0.000 0.772 307 P CB 0.219 31.583 31.700 -0.560 0.000 0.855 308 A N 4.903 127.539 122.820 -0.306 0.000 2.362 308 A HA 0.489 4.788 4.320 -0.034 0.000 0.276 308 A C -2.181 175.265 177.584 -0.231 0.000 1.153 308 A CA -1.451 50.452 52.037 -0.224 0.000 0.813 308 A CB -0.676 18.198 19.000 -0.210 0.000 1.081 308 A HN 0.376 nan 8.150 nan 0.000 0.507 309 P HA 0.218 nan 4.420 nan 0.000 0.271 309 P C -2.525 174.698 177.300 -0.128 0.000 1.244 309 P CA -0.981 62.039 63.100 -0.133 0.000 0.793 309 P CB -0.373 31.272 31.700 -0.092 0.000 0.984 310 P HA -0.016 nan 4.420 nan 0.000 0.264 310 P C -0.784 176.457 177.300 -0.098 0.000 1.183 310 P CA 0.567 63.608 63.100 -0.098 0.000 0.763 310 P CB 0.147 31.799 31.700 -0.079 0.000 0.807 311 V N 5.594 125.443 119.914 -0.109 0.000 2.350 311 V HA 0.108 4.208 4.120 -0.034 0.000 0.276 311 V C 1.494 177.547 176.094 -0.069 0.000 1.028 311 V CA -0.283 61.961 62.300 -0.093 0.000 0.860 311 V CB 1.273 33.023 31.823 -0.122 0.000 0.990 311 V HN 0.532 nan 8.190 nan 0.000 0.453 312 K N 3.510 123.880 120.400 -0.051 0.000 2.097 312 K HA -0.015 4.284 4.320 -0.034 0.000 0.206 312 K C 1.253 177.839 176.600 -0.023 0.000 1.049 312 K CA 1.259 57.519 56.287 -0.045 0.000 0.933 312 K CB -0.057 32.420 32.500 -0.039 0.000 0.717 312 K HN 0.721 nan 8.250 nan 0.000 0.442 313 A N 2.319 125.154 122.820 0.025 0.000 3.037 313 A HA 0.216 4.516 4.320 -0.034 0.000 0.272 313 A C -0.437 177.242 177.584 0.157 0.000 1.723 313 A CA 0.019 52.132 52.037 0.126 0.000 1.413 313 A CB -0.194 18.906 19.000 0.167 0.000 1.112 313 A HN 0.025 nan 8.150 nan 0.000 0.606 314 S N 0.899 116.659 115.700 0.099 0.000 2.549 314 S HA 0.462 4.912 4.470 -0.034 0.000 0.280 314 S C -0.915 173.735 174.600 0.083 0.000 1.109 314 S CA -0.570 57.689 58.200 0.098 0.000 0.905 314 S CB 1.115 64.289 63.200 -0.044 0.000 1.081 314 S HN 0.701 nan 8.310 nan 0.000 0.477 315 W N 4.568 125.870 121.300 0.003 0.000 2.416 315 W HA 0.498 5.138 4.660 -0.033 0.000 0.318 315 W C -1.664 174.692 176.519 -0.271 0.000 1.150 315 W CA -0.464 56.808 57.345 -0.122 0.000 1.392 315 W CB 0.371 29.870 29.460 0.065 0.000 1.311 315 W HN 0.332 nan 8.180 nan 0.000 0.436 316 V N 7.782 127.252 119.914 -0.740 0.000 2.394 316 V HA 0.378 4.478 4.120 -0.034 0.000 0.282 316 V C 0.044 175.736 176.094 -0.671 0.000 1.031 316 V CA -0.283 61.546 62.300 -0.785 0.000 0.881 316 V CB 1.030 31.913 31.823 -1.567 0.000 0.982 316 V HN 0.647 nan 8.190 nan 0.000 0.451 317 H N 2.600 121.598 119.070 -0.120 0.000 2.948 317 H HA 0.911 5.447 4.556 -0.034 0.000 0.315 317 H C -1.240 174.326 175.328 0.397 0.000 1.360 317 H CA -1.309 54.777 56.048 0.063 0.000 1.125 317 H CB 2.250 32.076 29.762 0.106 0.000 1.844 317 H HN 0.434 nan 8.280 nan 0.000 0.529 318 K N 0.820 121.319 120.400 0.165 0.000 2.570 318 K HA 0.278 4.577 4.320 -0.034 0.000 0.256 318 K C -1.543 175.144 176.600 0.145 0.000 0.939 318 K CA -0.342 55.984 56.287 0.064 0.000 0.833 318 K CB 2.686 35.200 32.500 0.025 0.000 1.318 318 K HN 0.774 nan 8.250 nan 0.000 0.433 319 T N 1.338 116.000 114.554 0.180 0.000 2.922 319 T HA 0.809 5.138 4.350 -0.034 0.000 0.285 319 T C -0.473 174.312 174.700 0.141 0.000 1.005 319 T CA 0.062 62.308 62.100 0.243 0.000 1.061 319 T CB 0.740 69.690 68.868 0.136 0.000 1.007 319 T HN 0.671 nan 8.240 nan 0.000 0.502 320 G N 1.665 110.553 108.800 0.147 0.000 2.753 320 G HA2 0.588 4.527 3.960 -0.034 0.000 0.297 320 G HA3 0.588 4.527 3.960 -0.034 0.000 0.297 320 G C -1.433 173.542 174.900 0.125 0.000 1.430 320 G CA -0.503 44.678 45.100 0.135 0.000 1.040 320 G HN 0.784 nan 8.290 nan 0.000 0.530 321 S N -0.608 115.159 115.700 0.113 0.000 2.618 321 S HA 0.897 5.347 4.470 -0.034 0.000 0.277 321 S C 0.026 174.698 174.600 0.119 0.000 1.138 321 S CA -0.420 57.853 58.200 0.121 0.000 0.844 321 S CB 2.162 65.400 63.200 0.063 0.000 1.127 321 S HN 1.312 nan 8.310 nan 0.000 0.474 322 T N -2.205 112.450 114.554 0.169 0.000 2.693 322 T HA 0.660 4.990 4.350 -0.034 0.000 0.278 322 T C 1.339 176.123 174.700 0.140 0.000 0.994 322 T CA -0.123 62.055 62.100 0.131 0.000 1.033 322 T CB 0.622 69.597 68.868 0.177 0.000 1.342 322 T HN 0.605 nan 8.240 nan 0.000 0.538 323 G N -0.307 108.562 108.800 0.115 0.000 2.442 323 G HA2 0.155 4.095 3.960 -0.034 0.000 0.219 323 G HA3 0.155 4.095 3.960 -0.034 0.000 0.219 323 G C 1.205 176.177 174.900 0.120 0.000 1.141 323 G CA 0.712 45.868 45.100 0.093 0.000 0.763 323 G HN 1.166 nan 8.290 nan 0.000 0.554 324 G N -1.428 107.488 108.800 0.194 0.000 3.192 324 G HA2 0.465 4.405 3.960 -0.034 0.000 0.239 324 G HA3 0.465 4.405 3.960 -0.034 0.000 0.239 324 G C -0.341 174.517 174.900 -0.071 0.000 1.084 324 G CA -0.418 44.716 45.100 0.056 0.000 0.784 324 G HN 0.198 nan 8.290 nan 0.000 0.540 325 F N -0.531 119.521 119.950 0.170 0.000 2.588 325 F HA 0.693 5.201 4.527 -0.032 0.000 0.310 325 F C 0.246 176.149 175.800 0.172 0.000 1.082 325 F CA -1.103 57.035 58.000 0.230 0.000 0.929 325 F CB 2.492 41.651 39.000 0.264 0.000 1.254 325 F HN 0.020 nan 8.300 nan 0.000 0.455 326 G N 0.898 109.919 108.800 0.370 0.000 2.732 326 G HA2 0.600 4.539 3.960 -0.034 0.000 0.295 326 G HA3 0.600 4.539 3.960 -0.034 0.000 0.295 326 G C -1.634 173.378 174.900 0.187 0.000 1.456 326 G CA -0.589 44.611 45.100 0.166 0.000 1.050 326 G HN 0.588 nan 8.290 nan 0.000 0.525 327 S N -0.012 115.786 115.700 0.163 0.000 2.627 327 S HA 0.817 5.266 4.470 -0.034 0.000 0.283 327 S C -1.826 172.935 174.600 0.268 0.000 1.127 327 S CA -0.637 57.685 58.200 0.203 0.000 0.863 327 S CB 2.105 65.424 63.200 0.198 0.000 1.121 327 S HN 0.735 nan 8.310 nan 0.000 0.479 328 Y N 0.491 120.870 120.300 0.132 0.000 2.519 328 Y HA 0.653 5.183 4.550 -0.034 0.000 0.336 328 Y C -1.563 174.461 175.900 0.207 0.000 1.089 328 Y CA -0.807 57.389 58.100 0.159 0.000 1.025 328 Y CB 1.184 39.742 38.460 0.164 0.000 1.318 328 Y HN 0.584 nan 8.280 nan 0.000 0.452 329 V N 4.597 124.310 119.914 -0.334 0.000 2.841 329 V HA 1.016 5.115 4.120 -0.034 0.000 0.310 329 V C -1.728 174.094 176.094 -0.454 0.000 1.090 329 V CA 0.075 62.258 62.300 -0.195 0.000 0.930 329 V CB 1.507 33.448 31.823 0.195 0.000 1.014 329 V HN 1.382 nan 8.190 nan 0.000 0.425 330 A N 5.800 128.412 122.820 -0.347 0.000 2.547 330 A HA 0.999 5.298 4.320 -0.034 0.000 0.297 330 A C -1.295 176.008 177.584 -0.469 0.000 1.056 330 A CA -0.324 51.362 52.037 -0.585 0.000 0.688 330 A CB 1.602 20.103 19.000 -0.830 0.000 1.282 330 A HN 2.029 nan 8.150 nan 0.000 0.400 331 F N -0.753 118.748 119.950 -0.747 0.000 2.686 331 F HA 0.838 5.344 4.527 -0.035 0.000 0.311 331 F C -1.434 173.992 175.800 -0.623 0.000 1.128 331 F CA -1.252 56.379 58.000 -0.615 0.000 0.946 331 F CB 1.306 40.021 39.000 -0.476 0.000 1.336 331 F HN 0.315 nan 8.300 nan 0.000 0.457 332 I N 2.230 122.600 120.570 -0.333 0.000 2.495 332 I HA 0.311 4.460 4.170 -0.034 0.000 0.277 332 I C -2.208 173.786 176.117 -0.205 0.000 1.045 332 I CA -1.797 59.264 61.300 -0.399 0.000 1.135 332 I CB 1.817 39.420 38.000 -0.662 0.000 1.241 332 I HN 0.378 nan 8.210 nan 0.000 0.469 333 P HA -0.204 nan 4.420 nan 0.000 0.216 333 P C 1.457 178.699 177.300 -0.098 0.000 1.150 333 P CA 1.148 64.208 63.100 -0.067 0.000 0.837 333 P CB 0.309 31.982 31.700 -0.045 0.000 0.786 334 E N 0.452 120.588 120.200 -0.107 0.000 2.160 334 E HA -0.222 4.107 4.350 -0.034 0.000 0.195 334 E C 1.283 177.832 176.600 -0.085 0.000 0.991 334 E CA 1.277 57.633 56.400 -0.074 0.000 0.810 334 E CB -0.142 29.541 29.700 -0.027 0.000 0.742 334 E HN 0.212 nan 8.360 nan 0.000 0.466 335 K N -0.416 119.897 120.400 -0.143 0.000 2.367 335 K HA 0.056 4.356 4.320 -0.034 0.000 0.194 335 K C -0.044 176.501 176.600 -0.091 0.000 1.027 335 K CA -0.012 56.203 56.287 -0.120 0.000 1.075 335 K CB 0.693 33.076 32.500 -0.195 0.000 0.845 335 K HN -0.002 nan 8.250 nan 0.000 0.529 336 Q N 0.711 120.449 119.800 -0.104 0.000 2.451 336 Q HA -0.187 4.132 4.340 -0.034 0.000 0.305 336 Q C -0.417 175.548 176.000 -0.059 0.000 1.345 336 Q CA 1.117 56.866 55.803 -0.090 0.000 0.854 336 Q CB -2.139 26.548 28.738 -0.084 0.000 1.162 336 Q HN 0.614 nan 8.270 nan 0.000 0.440 337 I N -4.186 116.333 120.570 -0.085 0.000 2.828 337 I HA 0.981 5.131 4.170 -0.034 0.000 0.302 337 I C 0.351 176.402 176.117 -0.110 0.000 1.101 337 I CA -0.719 60.545 61.300 -0.060 0.000 1.031 337 I CB 2.724 40.681 38.000 -0.072 0.000 1.231 337 I HN 0.046 nan 8.210 nan 0.000 0.427 338 G N 3.683 112.434 108.800 -0.081 0.000 2.623 338 G HA2 0.666 4.605 3.960 -0.034 0.000 0.290 338 G HA3 0.666 4.605 3.960 -0.034 0.000 0.290 338 G C -2.200 172.674 174.900 -0.043 0.000 1.437 338 G CA -0.706 44.344 45.100 -0.083 0.000 0.798 338 G HN 0.855 nan 8.290 nan 0.000 0.488 339 I N -0.288 120.264 120.570 -0.031 0.000 2.827 339 I HA 0.675 4.824 4.170 -0.034 0.000 0.298 339 I C -1.296 174.864 176.117 0.073 0.000 1.235 339 I CA -1.034 60.292 61.300 0.043 0.000 1.021 339 I CB 2.380 40.421 38.000 0.068 0.000 1.259 339 I HN 0.380 nan 8.210 nan 0.000 0.427 340 V N 7.238 127.230 119.914 0.130 0.000 2.487 340 V HA 0.516 4.615 4.120 -0.034 0.000 0.298 340 V C -0.462 175.742 176.094 0.184 0.000 1.028 340 V CA -0.417 61.978 62.300 0.158 0.000 0.860 340 V CB 1.741 33.670 31.823 0.178 0.000 0.991 340 V HN 0.628 nan 8.190 nan 0.000 0.427 341 M N 6.291 126.010 119.600 0.197 0.000 2.053 341 M HA 0.559 5.019 4.480 -0.034 0.000 0.297 341 M C -1.249 175.131 176.300 0.133 0.000 0.921 341 M CA -0.152 55.267 55.300 0.199 0.000 0.918 341 M CB 1.678 34.447 32.600 0.281 0.000 1.499 341 M HN 0.384 nan 8.290 nan 0.000 0.422 342 L N 2.874 124.075 121.223 -0.038 0.000 2.307 342 L HA 0.970 5.290 4.340 -0.034 0.000 0.284 342 L C -0.149 176.556 176.870 -0.276 0.000 1.023 342 L CA -0.680 53.983 54.840 -0.296 0.000 0.810 342 L CB 1.599 43.136 42.059 -0.872 0.000 1.231 342 L HN 0.773 nan 8.230 nan 0.000 0.423 343 A N 2.041 124.933 122.820 0.119 0.000 2.498 343 A HA 0.579 4.879 4.320 -0.034 0.000 0.298 343 A C -0.515 177.434 177.584 0.609 0.000 1.075 343 A CA -0.766 51.510 52.037 0.398 0.000 0.714 343 A CB 1.364 20.633 19.000 0.449 0.000 1.299 343 A HN 0.751 nan 8.150 nan 0.000 0.407 344 N N 0.619 119.610 118.700 0.486 0.000 2.558 344 N HA 0.271 4.991 4.740 -0.034 0.000 0.281 344 N C -0.708 174.810 175.510 0.013 0.000 1.219 344 N CA -0.080 52.963 53.050 -0.012 0.000 0.942 344 N CB 0.584 39.035 38.487 -0.059 0.000 1.241 344 N HN 0.307 nan 8.380 nan 0.000 0.511 345 T N -0.935 113.714 114.554 0.158 0.000 2.923 345 T HA 0.247 4.576 4.350 -0.034 0.000 0.311 345 T C -1.081 173.777 174.700 0.262 0.000 1.183 345 T CA -0.684 61.521 62.100 0.174 0.000 1.020 345 T CB 1.757 70.742 68.868 0.195 0.000 1.165 345 T HN 0.054 nan 8.240 nan 0.000 0.482 346 S N 2.613 118.425 115.700 0.186 0.000 2.485 346 S HA 0.433 4.883 4.470 -0.034 0.000 0.312 346 S C -0.487 174.193 174.600 0.134 0.000 1.102 346 S CA -0.689 57.588 58.200 0.128 0.000 1.066 346 S CB -0.914 62.340 63.200 0.091 0.000 1.102 346 S HN 0.518 nan 8.310 nan 0.000 0.519 347 Y N 3.013 123.353 120.300 0.066 0.000 2.488 347 Y HA 0.796 5.326 4.550 -0.034 0.000 0.325 347 Y C -2.868 173.048 175.900 0.027 0.000 1.204 347 Y CA -3.551 54.573 58.100 0.040 0.000 1.229 347 Y CB -0.657 37.824 38.460 0.036 0.000 1.274 347 Y HN 0.302 nan 8.280 nan 0.000 0.493 348 P HA 0.057 nan 4.420 nan 0.000 0.265 348 P C 0.062 177.285 177.300 -0.129 0.000 1.193 348 P CA 0.171 63.254 63.100 -0.029 0.000 0.765 348 P CB 0.736 32.457 31.700 0.035 0.000 0.823 349 N N 4.346 122.957 118.700 -0.149 0.000 2.061 349 N HA -0.141 4.579 4.740 -0.034 0.000 0.193 349 N C -0.891 174.528 175.510 -0.152 0.000 1.030 349 N CA 1.899 54.840 53.050 -0.182 0.000 0.856 349 N CB -1.890 36.514 38.487 -0.139 0.000 1.023 349 N HN 0.446 nan 8.380 nan 0.000 0.424 350 P HA -0.059 nan 4.420 nan 0.000 0.218 350 P C 1.003 178.281 177.300 -0.036 0.000 1.148 350 P CA 1.433 64.493 63.100 -0.066 0.000 0.822 350 P CB -0.053 31.621 31.700 -0.043 0.000 0.784 351 A N -0.214 122.618 122.820 0.019 0.000 1.968 351 A HA -0.172 4.127 4.320 -0.034 0.000 0.217 351 A C 2.187 179.864 177.584 0.154 0.000 1.169 351 A CA 1.150 53.251 52.037 0.106 0.000 0.638 351 A CB -0.856 18.280 19.000 0.226 0.000 0.812 351 A HN 0.095 nan 8.150 nan 0.000 0.446 352 R N -0.520 120.025 120.500 0.074 0.000 2.073 352 R HA -0.087 4.232 4.340 -0.034 0.000 0.234 352 R C 2.000 178.241 176.300 -0.097 0.000 1.134 352 R CA 1.543 57.657 56.100 0.023 0.000 0.952 352 R CB -0.745 29.417 30.300 -0.230 0.000 0.850 352 R HN 0.361 nan 8.270 nan 0.000 0.433 353 V N 1.669 121.406 119.914 -0.295 0.000 2.295 353 V HA -0.214 3.885 4.120 -0.034 0.000 0.246 353 V C 2.334 178.506 176.094 0.130 0.000 1.049 353 V CA 1.725 63.925 62.300 -0.167 0.000 1.024 353 V CB -0.467 31.278 31.823 -0.131 0.000 0.648 353 V HN 0.284 nan 8.190 nan 0.000 0.447 354 E N 0.379 120.619 120.200 0.068 0.000 2.058 354 E HA -0.229 4.101 4.350 -0.034 0.000 0.194 354 E C 2.373 179.094 176.600 0.202 0.000 0.997 354 E CA 1.659 58.119 56.400 0.100 0.000 0.801 354 E CB -0.436 29.282 29.700 0.031 0.000 0.746 354 E HN 0.585 nan 8.360 nan 0.000 0.450 355 A N 1.474 124.402 122.820 0.180 0.000 1.873 355 A HA -0.054 4.246 4.320 -0.034 0.000 0.215 355 A C 2.445 180.208 177.584 0.298 0.000 1.186 355 A CA 1.986 54.144 52.037 0.202 0.000 0.616 355 A CB -0.607 18.486 19.000 0.155 0.000 0.823 355 A HN 0.272 nan 8.150 nan 0.000 0.442 356 A N -1.523 121.517 122.820 0.367 0.000 1.908 356 A HA -0.161 4.138 4.320 -0.034 0.000 0.218 356 A C 2.161 180.045 177.584 0.500 0.000 1.181 356 A CA 1.777 54.087 52.037 0.456 0.000 0.627 356 A CB -0.857 18.569 19.000 0.710 0.000 0.818 356 A HN 0.702 nan 8.150 nan 0.000 0.445 357 Y N -0.417 120.158 120.300 0.457 0.000 2.181 357 Y HA -0.253 4.276 4.550 -0.034 0.000 0.288 357 Y C 2.498 178.567 175.900 0.282 0.000 1.146 357 Y CA 2.249 60.594 58.100 0.408 0.000 1.164 357 Y CB -0.484 38.079 38.460 0.171 0.000 0.982 357 Y HN 0.596 nan 8.280 nan 0.000 0.515 358 H N -0.108 119.169 119.070 0.344 0.000 2.387 358 H HA -0.161 4.374 4.556 -0.034 0.000 0.299 358 H C 2.155 177.541 175.328 0.096 0.000 1.090 358 H CA 2.143 58.316 56.048 0.208 0.000 1.332 358 H CB -0.155 29.697 29.762 0.149 0.000 1.386 358 H HN 0.433 nan 8.280 nan 0.000 0.516 359 I N 0.603 121.235 120.570 0.104 0.000 2.202 359 I HA -0.291 3.859 4.170 -0.034 0.000 0.242 359 I C 2.658 178.714 176.117 -0.101 0.000 1.091 359 I CA 0.793 62.078 61.300 -0.024 0.000 1.368 359 I CB -0.202 37.825 38.000 0.044 0.000 1.058 359 I HN 0.212 nan 8.210 nan 0.000 0.410 360 L N 0.285 121.482 121.223 -0.044 0.000 2.141 360 L HA -0.211 4.108 4.340 -0.034 0.000 0.209 360 L C 2.552 179.328 176.870 -0.156 0.000 1.094 360 L CA 1.299 56.071 54.840 -0.114 0.000 0.763 360 L CB -0.637 41.373 42.059 -0.080 0.000 0.908 360 L HN 0.346 nan 8.230 nan 0.000 0.437 361 E N 0.714 120.813 120.200 -0.170 0.000 2.160 361 E HA -0.253 4.077 4.350 -0.034 0.000 0.195 361 E C 2.134 178.661 176.600 -0.122 0.000 0.991 361 E CA 1.161 57.483 56.400 -0.129 0.000 0.810 361 E CB 0.046 29.701 29.700 -0.075 0.000 0.742 361 E HN 0.475 nan 8.360 nan 0.000 0.466 362 A N 0.369 123.073 122.820 -0.194 0.000 2.121 362 A HA -0.067 4.233 4.320 -0.034 0.000 0.218 362 A C 1.930 179.407 177.584 -0.180 0.000 1.154 362 A CA 0.759 52.680 52.037 -0.194 0.000 0.679 362 A CB -0.195 18.662 19.000 -0.239 0.000 0.795 362 A HN 0.310 nan 8.150 nan 0.000 0.458 363 L N -0.941 120.161 121.223 -0.203 0.000 2.585 363 L HA 0.077 4.396 4.340 -0.034 0.000 0.226 363 L C 0.740 177.559 176.870 -0.085 0.000 1.113 363 L CA -0.249 54.450 54.840 -0.235 0.000 0.876 363 L CB -0.124 41.713 42.059 -0.371 0.000 1.072 363 L HN 0.460 nan 8.230 nan 0.000 0.468 364 Q N 0.000 119.772 119.800 -0.046 0.000 2.315 364 Q HA 0.000 4.319 4.340 -0.034 0.000 0.214 364 Q CA 0.000 55.813 55.803 0.017 0.000 1.022 364 Q CB 0.000 28.786 28.738 0.080 0.000 1.108 364 Q HN 0.000 nan 8.270 nan 0.000 0.481