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 2o11_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLRWITAGES HGRALVAVVE GMVAGVHVTS ADIADQLARR RLGYGXXXXX DATA SEQUENCE XXXXDAVTVL SGIRHGSTLG GPIAIEIGNT EWPKWETVMA ADPVDPAELA DATA SEQUENCE DVARNAPLTR PRPGHADYAG MLKYGFDDAR PVLERASARE TAARVAAGTV DATA SEQUENCE ARAFLRQALG VEVLSHVISI GASAPYEGPP PRAEDLPAID ASPVRAYDKA DATA SEQUENCE AEADMIAQIE AAKKDGDTLG GVVEAVALGL PVGLGSFTSG DHRLDSQLAA DATA SEQUENCE AVMGIQAIKG VEIGDGFQTA RRRGSRAHDE MYPGPDGVVR STNRAGGLEG DATA SEQUENCE GMTNGQPLRV RAAMKPISTV PRALATVDLA TGDEAVAIHQ RSDVCAVPAA DATA SEQUENCE GVVVETMVAL VLARAALEKF GGDSLAETQR NIAAYQRSVA DR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.264 176.300 -0.059 0.000 1.140 1 M CA 0.000 55.264 55.300 -0.059 0.000 0.988 1 M CB 0.000 32.556 32.600 -0.073 0.000 1.302 2 L N 4.584 125.788 121.223 -0.033 0.000 2.455 2 L HA 0.473 4.813 4.340 0.000 0.000 0.272 2 L C -0.809 176.039 176.870 -0.036 0.000 1.174 2 L CA 1.071 55.927 54.840 0.026 0.000 0.869 2 L CB 0.366 42.492 42.059 0.112 0.000 1.130 2 L HN 0.679 nan 8.230 nan 0.000 0.474 3 R N 3.900 124.375 120.500 -0.042 0.000 2.771 3 R HA 0.639 4.979 4.340 0.000 0.000 0.274 3 R C -1.808 174.492 176.300 0.000 0.000 0.987 3 R CA -0.693 55.230 56.100 -0.295 0.000 0.908 3 R CB 1.708 31.852 30.300 -0.260 0.000 1.213 3 R HN 0.751 nan 8.270 nan 0.000 0.468 4 W N 1.119 122.405 121.300 -0.023 0.000 3.022 4 W HA 0.757 5.417 4.660 -0.000 0.000 0.335 4 W C -1.511 174.999 176.519 -0.016 0.000 1.133 4 W CA -0.975 56.358 57.345 -0.019 0.000 1.219 4 W CB 0.670 30.121 29.460 -0.016 0.000 1.409 4 W HN 0.259 nan 8.180 nan 0.000 0.507 5 I N 2.692 123.365 120.570 0.171 0.000 2.619 5 I HA 0.594 4.764 4.170 0.000 0.000 0.292 5 I C 0.081 176.256 176.117 0.097 0.000 1.100 5 I CA -0.799 60.551 61.300 0.083 0.000 1.043 5 I CB 2.620 40.633 38.000 0.021 0.000 1.239 5 I HN 0.580 nan 8.210 nan 0.000 0.420 6 T N 2.019 116.620 114.554 0.079 0.000 2.918 6 T HA 0.991 5.341 4.350 0.000 0.000 0.286 6 T C -0.557 174.154 174.700 0.018 0.000 1.026 6 T CA -0.744 61.384 62.100 0.047 0.000 1.031 6 T CB 2.043 70.939 68.868 0.048 0.000 1.046 6 T HN 0.898 nan 8.240 nan 0.000 0.479 7 A N 0.361 123.179 122.820 -0.003 0.000 2.572 7 A HA 1.030 5.350 4.320 0.000 0.000 0.295 7 A C 0.060 177.620 177.584 -0.039 0.000 1.072 7 A CA -0.377 51.649 52.037 -0.019 0.000 0.691 7 A CB 1.298 20.286 19.000 -0.021 0.000 1.291 7 A HN 2.309 nan 8.150 nan 0.000 0.404 8 G N 0.310 109.079 108.800 -0.052 0.000 2.348 8 G HA2 0.460 4.420 3.960 0.000 0.000 0.606 8 G HA3 0.460 4.420 3.960 0.000 0.000 0.606 8 G C -1.517 173.332 174.900 -0.085 0.000 1.466 8 G CA -0.805 44.249 45.100 -0.076 0.000 0.950 8 G HN 0.826 nan 8.290 nan 0.000 0.657 9 E N -0.119 120.020 120.200 -0.103 0.000 2.212 9 E HA 0.639 4.989 4.350 0.000 0.000 0.270 9 E C 1.521 178.010 176.600 -0.185 0.000 0.956 9 E CA -0.057 56.268 56.400 -0.125 0.000 0.825 9 E CB 1.631 31.273 29.700 -0.097 0.000 1.167 9 E HN 0.707 nan 8.360 nan 0.000 0.400 10 S N 1.192 116.723 115.700 -0.282 0.000 2.383 10 S HA -0.218 4.252 4.470 0.000 0.000 0.229 10 S C 0.782 175.030 174.600 -0.587 0.000 1.030 10 S CA 1.392 59.324 58.200 -0.446 0.000 1.002 10 S CB -0.358 62.483 63.200 -0.599 0.000 0.829 10 S HN 0.616 nan 8.310 nan 0.000 0.467 11 H N 0.954 119.813 119.070 -0.351 0.000 2.528 11 H HA 0.505 5.061 4.556 0.000 0.000 0.282 11 H C 1.223 176.512 175.328 -0.066 0.000 1.097 11 H CA -0.273 55.475 56.048 -0.500 0.000 1.121 11 H CB 0.198 29.156 29.762 -1.339 0.000 1.590 11 H HN 0.495 nan 8.280 nan 0.000 0.553 12 G N 0.165 108.984 108.800 0.031 0.000 2.588 12 G HA2 0.002 3.962 3.960 0.000 0.000 0.278 12 G HA3 0.002 3.962 3.960 0.000 0.000 0.278 12 G C 0.911 175.693 174.900 -0.196 0.000 1.307 12 G CA -0.565 44.548 45.100 0.022 0.000 1.016 12 G HN 0.342 nan 8.290 nan 0.000 0.503 13 R N -0.962 119.042 120.500 -0.826 0.000 2.092 13 R HA 0.268 4.608 4.340 0.000 0.000 0.231 13 R C 0.834 176.830 176.300 -0.508 0.000 1.119 13 R CA 1.571 56.938 56.100 -1.221 0.000 0.970 13 R CB -0.150 29.195 30.300 -1.593 0.000 0.864 13 R HN 0.675 nan 8.270 nan 0.000 0.440 14 A N -0.696 121.926 122.820 -0.331 0.000 2.586 14 A HA 0.470 4.790 4.320 0.000 0.000 0.291 14 A C -1.582 175.916 177.584 -0.143 0.000 1.062 14 A CA -0.915 51.008 52.037 -0.191 0.000 0.666 14 A CB 0.848 19.744 19.000 -0.173 0.000 1.281 14 A HN 0.116 nan 8.150 nan 0.000 0.421 15 L N 0.128 121.291 121.223 -0.099 0.000 2.352 15 L HA 0.840 5.180 4.340 0.000 0.000 0.269 15 L C -0.712 176.123 176.870 -0.059 0.000 1.034 15 L CA -1.153 53.642 54.840 -0.075 0.000 0.806 15 L CB 1.661 43.685 42.059 -0.059 0.000 1.244 15 L HN 0.442 nan 8.230 nan 0.000 0.447 16 V N 0.509 120.398 119.914 -0.043 0.000 2.760 16 V HA 0.702 4.822 4.120 0.000 0.000 0.309 16 V C -0.443 175.647 176.094 -0.008 0.000 1.077 16 V CA -0.568 61.715 62.300 -0.028 0.000 0.910 16 V CB 1.875 33.679 31.823 -0.030 0.000 1.008 16 V HN 0.870 nan 8.190 nan 0.000 0.424 17 A N 4.005 126.827 122.820 0.003 0.000 2.342 17 A HA 0.919 5.239 4.320 0.000 0.000 0.323 17 A C -1.009 176.594 177.584 0.031 0.000 1.125 17 A CA -0.579 51.474 52.037 0.026 0.000 0.785 17 A CB 1.667 20.682 19.000 0.025 0.000 1.221 17 A HN 0.733 nan 8.150 nan 0.000 0.463 18 V N 2.813 122.757 119.914 0.050 0.000 2.487 18 V HA 0.470 4.590 4.120 0.000 0.000 0.298 18 V C -0.520 175.624 176.094 0.084 0.000 1.028 18 V CA -0.531 61.797 62.300 0.046 0.000 0.860 18 V CB 1.658 33.496 31.823 0.026 0.000 0.991 18 V HN 0.650 nan 8.190 nan 0.000 0.427 19 V N 4.328 124.287 119.914 0.076 0.000 2.409 19 V HA 0.492 4.612 4.120 0.000 0.000 0.291 19 V C -0.125 176.004 176.094 0.059 0.000 1.020 19 V CA -0.461 61.903 62.300 0.106 0.000 0.848 19 V CB 1.652 33.535 31.823 0.099 0.000 0.990 19 V HN 0.960 nan 8.190 nan 0.000 0.430 20 E N 2.910 123.140 120.200 0.051 0.000 2.227 20 E HA 0.596 4.946 4.350 0.000 0.000 0.268 20 E C 0.783 177.383 176.600 0.001 0.000 0.907 20 E CA 0.208 56.614 56.400 0.011 0.000 0.786 20 E CB 1.799 31.492 29.700 -0.011 0.000 1.191 20 E HN 0.919 nan 8.360 nan 0.000 0.411 21 G N 2.999 111.789 108.800 -0.017 0.000 2.141 21 G HA2 -0.258 3.702 3.960 0.000 0.000 0.242 21 G HA3 -0.258 3.702 3.960 0.000 0.000 0.242 21 G C -0.055 174.808 174.900 -0.062 0.000 0.982 21 G CA 0.347 45.425 45.100 -0.035 0.000 0.662 21 G HN 0.435 nan 8.290 nan 0.000 0.527 22 M N 2.142 121.708 119.600 -0.056 0.000 2.211 22 M HA 0.611 5.091 4.480 0.000 0.000 0.356 22 M C 1.057 177.316 176.300 -0.067 0.000 1.216 22 M CA -1.086 54.152 55.300 -0.104 0.000 1.134 22 M CB 1.246 33.808 32.600 -0.063 0.000 1.564 22 M HN 1.015 nan 8.290 nan 0.000 0.463 23 V N 3.384 123.248 119.914 -0.082 0.000 3.032 23 V HA 0.533 4.653 4.120 0.000 0.000 0.307 23 V C 0.528 176.640 176.094 0.030 0.000 1.097 23 V CA -0.671 61.627 62.300 -0.003 0.000 1.191 23 V CB -0.892 30.960 31.823 0.050 0.000 0.964 23 V HN 1.088 nan 8.190 nan 0.000 0.494 24 A N 3.190 126.030 122.820 0.033 0.000 2.425 24 A HA 0.582 4.902 4.320 0.000 0.000 0.242 24 A C 1.537 179.153 177.584 0.054 0.000 1.077 24 A CA 0.351 52.412 52.037 0.041 0.000 0.781 24 A CB -0.275 18.745 19.000 0.034 0.000 1.020 24 A HN 2.838 nan 8.150 nan 0.000 0.494 25 G N -0.441 108.396 108.800 0.063 0.000 2.175 25 G HA2 -0.136 3.824 3.960 0.000 0.000 0.244 25 G HA3 -0.136 3.824 3.960 0.000 0.000 0.244 25 G C 0.124 175.018 174.900 -0.009 0.000 0.982 25 G CA 0.050 45.183 45.100 0.056 0.000 0.641 25 G HN 1.364 nan 8.290 nan 0.000 0.527 26 V N 3.059 122.995 119.914 0.037 0.000 2.488 26 V HA 0.396 4.516 4.120 0.000 0.000 0.277 26 V C 0.431 176.584 176.094 0.098 0.000 1.046 26 V CA -0.879 61.426 62.300 0.008 0.000 0.986 26 V CB 0.998 32.889 31.823 0.112 0.000 0.989 26 V HN 0.328 nan 8.190 nan 0.000 0.475 27 H N 3.795 122.894 119.070 0.048 0.000 2.800 27 H HA 0.598 5.154 4.556 -0.000 0.000 0.291 27 H C -0.091 175.258 175.328 0.036 0.000 1.076 27 H CA -0.182 55.889 56.048 0.037 0.000 1.452 27 H CB 1.207 30.984 29.762 0.026 0.000 1.461 27 H HN 0.421 nan 8.280 nan 0.000 0.488 28 V N 3.605 123.612 119.914 0.155 0.000 3.000 28 V HA 0.543 4.663 4.120 0.000 0.000 0.300 28 V C -0.620 175.514 176.094 0.067 0.000 1.251 28 V CA -0.425 61.931 62.300 0.093 0.000 0.972 28 V CB 2.496 34.364 31.823 0.076 0.000 1.065 28 V HN 1.006 nan 8.190 nan 0.000 0.431 29 T N 1.585 116.168 114.554 0.048 0.000 2.887 29 T HA 0.478 4.828 4.350 0.000 0.000 0.292 29 T C 0.920 175.636 174.700 0.026 0.000 1.087 29 T CA 0.129 62.250 62.100 0.035 0.000 1.009 29 T CB 1.675 70.559 68.868 0.028 0.000 1.203 29 T HN 0.686 nan 8.240 nan 0.000 0.518 30 S N 0.588 116.301 115.700 0.022 0.000 2.383 30 S HA -0.085 4.385 4.470 0.000 0.000 0.229 30 S C 2.435 177.044 174.600 0.014 0.000 1.030 30 S CA 1.256 59.466 58.200 0.016 0.000 1.002 30 S CB -0.948 62.261 63.200 0.015 0.000 0.829 30 S HN 0.933 nan 8.310 nan 0.000 0.467 31 A N 2.237 125.066 122.820 0.015 0.000 1.902 31 A HA -0.166 4.154 4.320 0.000 0.000 0.217 31 A C 1.830 179.422 177.584 0.014 0.000 1.181 31 A CA 1.636 53.681 52.037 0.013 0.000 0.623 31 A CB -0.643 18.364 19.000 0.012 0.000 0.818 31 A HN 0.365 nan 8.150 nan 0.000 0.443 32 D N 0.217 120.627 120.400 0.017 0.000 2.104 32 D HA -0.148 4.492 4.640 0.000 0.000 0.194 32 D C 1.864 178.171 176.300 0.012 0.000 0.994 32 D CA 1.382 55.393 54.000 0.017 0.000 0.830 32 D CB -0.404 40.411 40.800 0.024 0.000 0.959 32 D HN 0.544 nan 8.370 nan 0.000 0.452 33 I N 1.359 121.936 120.570 0.012 0.000 2.163 33 I HA -0.270 3.900 4.170 0.000 0.000 0.243 33 I C 2.561 178.681 176.117 0.005 0.000 1.085 33 I CA 1.228 62.532 61.300 0.007 0.000 1.347 33 I CB -0.278 37.726 38.000 0.007 0.000 1.044 33 I HN -0.077 nan 8.210 nan 0.000 0.408 34 A N 0.388 123.212 122.820 0.007 0.000 1.933 34 A HA -0.244 4.076 4.320 0.000 0.000 0.218 34 A C 1.937 179.525 177.584 0.007 0.000 1.175 34 A CA 2.097 54.138 52.037 0.007 0.000 0.628 34 A CB -0.620 18.385 19.000 0.009 0.000 0.814 34 A HN 0.355 nan 8.150 nan 0.000 0.444 35 D N -0.394 120.010 120.400 0.008 0.000 2.123 35 D HA -0.140 4.500 4.640 0.000 0.000 0.196 35 D C 2.139 178.442 176.300 0.006 0.000 0.992 35 D CA 1.286 55.291 54.000 0.008 0.000 0.833 35 D CB -0.256 40.549 40.800 0.008 0.000 0.954 35 D HN 0.376 nan 8.370 nan 0.000 0.455 36 Q N -0.048 119.754 119.800 0.003 0.000 2.167 36 Q HA 0.002 4.342 4.340 0.000 0.000 0.202 36 Q C 2.587 178.586 176.000 -0.001 0.000 0.970 36 Q CA 0.332 56.135 55.803 -0.001 0.000 0.855 36 Q CB -0.204 28.531 28.738 -0.006 0.000 0.911 36 Q HN 0.395 nan 8.270 nan 0.000 0.438 37 L N 0.062 121.284 121.223 -0.001 0.000 2.083 37 L HA -0.147 4.193 4.340 0.000 0.000 0.209 37 L C 2.397 179.270 176.870 0.004 0.000 1.083 37 L CA 0.985 55.825 54.840 -0.000 0.000 0.752 37 L CB -0.589 41.470 42.059 -0.001 0.000 0.899 37 L HN 0.110 nan 8.230 nan 0.000 0.433 38 A N 0.208 123.032 122.820 0.007 0.000 1.933 38 A HA -0.204 4.116 4.320 0.000 0.000 0.218 38 A C 2.368 179.959 177.584 0.012 0.000 1.175 38 A CA 1.402 53.446 52.037 0.011 0.000 0.628 38 A CB -0.438 18.570 19.000 0.012 0.000 0.814 38 A HN 0.330 nan 8.150 nan 0.000 0.444 39 R N -0.976 119.530 120.500 0.009 0.000 2.096 39 R HA -0.104 4.236 4.340 0.000 0.000 0.235 39 R C 2.411 178.717 176.300 0.011 0.000 1.127 39 R CA 1.361 57.468 56.100 0.011 0.000 0.968 39 R CB -0.324 29.981 30.300 0.008 0.000 0.861 39 R HN 0.547 nan 8.270 nan 0.000 0.440 40 R N 1.247 121.751 120.500 0.006 0.000 2.193 40 R HA -0.075 4.265 4.340 0.000 0.000 0.229 40 R C 1.480 177.785 176.300 0.009 0.000 1.110 40 R CA 1.129 57.231 56.100 0.005 0.000 0.988 40 R CB 0.092 30.391 30.300 -0.001 0.000 0.871 40 R HN 0.153 nan 8.270 nan 0.000 0.458 41 R N 0.083 120.590 120.500 0.012 0.000 2.310 41 R HA 0.157 4.497 4.340 0.000 0.000 0.202 41 R C 0.198 176.511 176.300 0.022 0.000 0.933 41 R CA -0.129 55.980 56.100 0.015 0.000 1.054 41 R CB 0.154 30.464 30.300 0.016 0.000 0.985 41 R HN 0.143 nan 8.270 nan 0.000 0.489 42 L N 0.499 121.736 121.223 0.024 0.000 2.452 42 L HA 0.281 4.621 4.340 0.000 0.000 0.267 42 L C 0.693 177.587 176.870 0.040 0.000 1.188 42 L CA 0.254 55.114 54.840 0.034 0.000 0.821 42 L CB 0.778 42.856 42.059 0.033 0.000 1.102 42 L HN 0.246 nan 8.230 nan 0.000 0.470 43 G N 0.501 109.336 108.800 0.059 0.000 2.521 43 G HA2 -0.111 3.849 3.960 0.000 0.000 0.589 43 G HA3 -0.111 3.849 3.960 0.000 0.000 0.589 43 G C -0.743 174.224 174.900 0.112 0.000 1.501 43 G CA -0.461 44.686 45.100 0.079 0.000 0.887 43 G HN 0.539 nan 8.290 nan 0.000 0.654 44 Y N 1.787 122.093 120.300 0.010 0.000 2.034 44 Y HA 0.219 4.769 4.550 0.000 0.000 0.269 44 Y C 1.875 177.780 175.900 0.009 0.000 1.125 44 Y CA 2.908 61.013 58.100 0.009 0.000 1.097 44 Y CB -0.633 37.831 38.460 0.007 0.000 0.978 44 Y HN 0.948 nan 8.280 nan 0.000 0.480 56 A N 0.638 123.464 122.820 0.011 0.000 2.522 56 A HA 0.417 4.737 4.320 0.000 0.000 0.256 56 A C 0.551 178.136 177.584 0.001 0.000 1.086 56 A CA 0.238 52.280 52.037 0.009 0.000 0.763 56 A CB 0.381 19.390 19.000 0.014 0.000 1.024 56 A HN 0.072 nan 8.150 nan 0.000 0.502 57 V N 3.488 123.404 119.914 0.002 0.000 2.439 57 V HA 0.522 4.642 4.120 0.000 0.000 0.282 57 V C 0.316 176.409 176.094 -0.000 0.000 1.039 57 V CA -0.133 62.166 62.300 -0.001 0.000 0.913 57 V CB 1.600 33.424 31.823 0.002 0.000 0.983 57 V HN 0.912 nan 8.190 nan 0.000 0.460 58 T N 3.849 118.400 114.554 -0.005 0.000 2.881 58 T HA 0.388 4.738 4.350 0.000 0.000 0.291 58 T C -0.439 174.259 174.700 -0.004 0.000 0.990 58 T CA -0.411 61.687 62.100 -0.004 0.000 0.976 58 T CB 1.569 70.432 68.868 -0.008 0.000 0.970 58 T HN 0.293 nan 8.240 nan 0.000 0.438 59 V N 5.395 125.309 119.914 0.001 0.000 2.427 59 V HA 0.197 4.317 4.120 0.000 0.000 0.268 59 V C 1.110 177.202 176.094 -0.003 0.000 1.046 59 V CA -0.019 62.282 62.300 0.001 0.000 0.970 59 V CB 0.482 32.309 31.823 0.007 0.000 1.001 59 V HN 0.856 nan 8.190 nan 0.000 0.476 60 L N 3.723 124.943 121.223 -0.006 0.000 2.298 60 L HA 0.193 4.534 4.340 0.000 0.000 0.209 60 L C 0.970 177.835 176.870 -0.010 0.000 1.084 60 L CA 0.660 55.494 54.840 -0.009 0.000 0.816 60 L CB 0.299 42.351 42.059 -0.012 0.000 0.967 60 L HN 0.814 nan 8.230 nan 0.000 0.460 61 S N -2.382 113.313 115.700 -0.007 0.000 2.596 61 S HA 0.621 5.091 4.470 0.000 0.000 0.270 61 S C 0.303 174.900 174.600 -0.005 0.000 1.155 61 S CA -0.029 58.166 58.200 -0.009 0.000 0.827 61 S CB 1.831 65.026 63.200 -0.008 0.000 1.130 61 S HN 0.295 nan 8.310 nan 0.000 0.467 62 G N 0.321 109.116 108.800 -0.008 0.000 2.176 62 G HA2 -0.161 3.799 3.960 0.000 0.000 0.253 62 G HA3 -0.161 3.799 3.960 0.000 0.000 0.253 62 G C -0.165 174.736 174.900 0.002 0.000 0.979 62 G CA 0.274 45.373 45.100 -0.002 0.000 0.641 62 G HN 1.134 nan 8.290 nan 0.000 0.530 63 I N -0.137 120.431 120.570 -0.004 0.000 2.569 63 I HA 0.574 4.744 4.170 0.000 0.000 0.290 63 I C -0.079 176.020 176.117 -0.030 0.000 1.088 63 I CA -0.954 60.347 61.300 0.002 0.000 1.047 63 I CB 2.300 40.311 38.000 0.018 0.000 1.237 63 I HN 0.122 nan 8.210 nan 0.000 0.421 64 R N 4.758 125.231 120.500 -0.045 0.000 2.532 64 R HA 0.426 4.766 4.340 0.000 0.000 0.297 64 R C -0.530 175.724 176.300 -0.076 0.000 0.984 64 R CA -0.513 55.495 56.100 -0.153 0.000 0.884 64 R CB 0.745 30.907 30.300 -0.229 0.000 1.182 64 R HN 0.809 nan 8.270 nan 0.000 0.442 65 H N 2.736 121.810 119.070 0.006 0.000 2.741 65 H HA -0.215 4.341 4.556 -0.000 0.000 0.305 65 H C 0.854 176.173 175.328 -0.015 0.000 1.169 65 H CA 0.746 56.790 56.048 -0.006 0.000 1.144 65 H CB -0.862 28.895 29.762 -0.008 0.000 1.397 65 H HN 1.150 nan 8.280 nan 0.000 0.409 66 G N -0.419 108.437 108.800 0.094 0.000 2.148 66 G HA2 -0.320 3.640 3.960 0.000 0.000 0.254 66 G HA3 -0.320 3.640 3.960 0.000 0.000 0.254 66 G C 0.127 175.081 174.900 0.091 0.000 0.981 66 G CA 0.495 45.630 45.100 0.058 0.000 0.670 66 G HN 0.720 nan 8.290 nan 0.000 0.528 67 S N 0.244 116.009 115.700 0.109 0.000 2.532 67 S HA 0.701 5.171 4.470 0.000 0.000 0.299 67 S C 0.534 175.193 174.600 0.098 0.000 1.105 67 S CA 0.494 58.794 58.200 0.167 0.000 1.018 67 S CB 1.111 64.421 63.200 0.184 0.000 1.021 67 S HN 1.263 nan 8.310 nan 0.000 0.483 68 T N 3.019 117.630 114.554 0.096 0.000 2.932 68 T HA 0.238 4.588 4.350 0.000 0.000 0.312 68 T C 1.263 175.990 174.700 0.044 0.000 1.071 68 T CA -0.355 61.780 62.100 0.058 0.000 1.128 68 T CB 0.235 69.137 68.868 0.056 0.000 0.984 68 T HN 0.588 nan 8.240 nan 0.000 0.549 69 L N 1.898 123.135 121.223 0.023 0.000 2.513 69 L HA 0.313 4.653 4.340 0.000 0.000 0.222 69 L C 2.311 179.188 176.870 0.012 0.000 1.096 69 L CA 0.607 55.454 54.840 0.012 0.000 0.857 69 L CB -0.492 41.565 42.059 -0.003 0.000 1.026 69 L HN 1.176 nan 8.230 nan 0.000 0.469 70 G N -0.487 108.320 108.800 0.012 0.000 2.254 70 G HA2 -0.221 3.739 3.960 0.000 0.000 0.225 70 G HA3 -0.221 3.739 3.960 0.000 0.000 0.225 70 G C 0.598 175.497 174.900 -0.001 0.000 1.003 70 G CA -0.164 44.939 45.100 0.005 0.000 0.622 70 G HN 0.488 nan 8.290 nan 0.000 0.507 71 G N 0.311 109.110 108.800 -0.001 0.000 2.532 71 G HA2 0.660 4.620 3.960 0.000 0.000 0.291 71 G HA3 0.660 4.620 3.960 0.000 0.000 0.291 71 G C -2.502 172.397 174.900 -0.002 0.000 1.349 71 G CA -0.803 44.295 45.100 -0.004 0.000 1.038 71 G HN 0.215 nan 8.290 nan 0.000 0.518 72 P HA 0.225 nan 4.420 nan 0.000 0.267 72 P C -0.542 176.761 177.300 0.005 0.000 1.205 72 P CA 0.170 63.272 63.100 0.002 0.000 0.765 72 P CB 0.702 32.401 31.700 -0.001 0.000 0.828 73 I N 2.405 122.983 120.570 0.013 0.000 2.312 73 I HA 0.465 4.635 4.170 0.000 0.000 0.290 73 I C 0.344 176.470 176.117 0.015 0.000 1.008 73 I CA -0.471 60.837 61.300 0.014 0.000 1.226 73 I CB 1.125 39.138 38.000 0.021 0.000 1.371 73 I HN 0.279 nan 8.210 nan 0.000 0.468 74 A N 8.158 130.983 122.820 0.007 0.000 2.303 74 A HA 0.854 5.174 4.320 0.000 0.000 0.320 74 A C -0.640 176.945 177.584 0.001 0.000 1.192 74 A CA -0.424 51.615 52.037 0.004 0.000 0.821 74 A CB 0.610 19.608 19.000 -0.002 0.000 1.188 74 A HN 0.681 nan 8.150 nan 0.000 0.492 75 I N 1.626 122.196 120.570 0.001 0.000 2.466 75 I HA 0.357 4.527 4.170 0.000 0.000 0.289 75 I C -0.039 176.070 176.117 -0.012 0.000 1.026 75 I CA -0.235 61.063 61.300 -0.003 0.000 1.078 75 I CB 2.085 40.086 38.000 0.001 0.000 1.249 75 I HN 0.806 nan 8.210 nan 0.000 0.429 76 E N 6.860 127.050 120.200 -0.018 0.000 2.191 76 E HA 0.629 4.979 4.350 0.000 0.000 0.274 76 E C -1.354 175.229 176.600 -0.029 0.000 0.948 76 E CA -0.652 55.729 56.400 -0.030 0.000 0.802 76 E CB 1.658 31.336 29.700 -0.037 0.000 1.137 76 E HN 0.495 nan 8.360 nan 0.000 0.397 77 I N 3.615 124.162 120.570 -0.037 0.000 2.411 77 I HA 0.336 4.506 4.170 0.000 0.000 0.284 77 I C 0.536 176.627 176.117 -0.043 0.000 1.012 77 I CA -0.889 60.393 61.300 -0.031 0.000 1.119 77 I CB 1.780 39.763 38.000 -0.027 0.000 1.261 77 I HN 0.565 nan 8.210 nan 0.000 0.448 78 G N 3.479 112.260 108.800 -0.031 0.000 2.527 78 G HA2 0.063 4.023 3.960 0.000 0.000 0.248 78 G HA3 0.063 4.023 3.960 0.000 0.000 0.248 78 G C -0.242 174.652 174.900 -0.011 0.000 1.231 78 G CA -0.259 44.820 45.100 -0.034 0.000 0.838 78 G HN 0.632 nan 8.290 nan 0.000 0.570 79 N N -0.055 118.644 118.700 -0.002 0.000 2.462 79 N HA 0.119 4.859 4.740 0.000 0.000 0.242 79 N C 1.644 177.242 175.510 0.147 0.000 1.010 79 N CA 0.057 53.148 53.050 0.067 0.000 0.939 79 N CB 1.115 39.659 38.487 0.094 0.000 1.127 79 N HN 0.407 nan 8.380 nan 0.000 0.509 80 T N 0.303 114.935 114.554 0.129 0.000 2.881 80 T HA -0.054 4.296 4.350 0.000 0.000 0.270 80 T C 0.787 175.605 174.700 0.197 0.000 1.068 80 T CA 1.043 63.228 62.100 0.142 0.000 1.131 80 T CB -0.062 68.867 68.868 0.102 0.000 0.871 80 T HN 0.452 nan 8.240 nan 0.000 0.479 81 E N -0.123 120.227 120.200 0.250 0.000 2.445 81 E HA 0.027 4.377 4.350 0.000 0.000 0.189 81 E C 1.220 178.076 176.600 0.426 0.000 1.069 81 E CA -0.364 56.221 56.400 0.309 0.000 0.871 81 E CB -0.317 29.610 29.700 0.378 0.000 0.991 81 E HN 0.740 nan 8.360 nan 0.000 0.481 82 W N 2.254 123.672 121.300 0.197 0.000 2.321 82 W HA -0.129 4.531 4.660 0.000 0.000 0.306 82 W C -1.256 175.360 176.519 0.161 0.000 1.217 82 W CA 1.045 58.509 57.345 0.198 0.000 1.257 82 W CB -0.766 28.763 29.460 0.116 0.000 1.145 82 W HN 0.089 nan 8.180 nan 0.000 0.509 83 P HA -0.201 nan 4.420 nan 0.000 0.217 83 P C 1.199 178.333 177.300 -0.277 0.000 1.148 83 P CA 2.392 65.355 63.100 -0.229 0.000 0.828 83 P CB -0.353 31.303 31.700 -0.074 0.000 0.783 84 K N -2.299 117.976 120.400 -0.207 0.000 2.211 84 K HA -0.105 4.215 4.320 0.000 0.000 0.203 84 K C 1.308 177.529 176.600 -0.633 0.000 1.050 84 K CA 1.217 57.255 56.287 -0.415 0.000 0.945 84 K CB -0.308 31.899 32.500 -0.488 0.000 0.732 84 K HN 0.301 nan 8.250 nan 0.000 0.451 85 W N 1.171 122.298 121.300 -0.287 0.000 3.127 85 W HA 0.082 4.742 4.660 0.000 0.000 0.344 85 W C 1.500 177.682 176.519 -0.562 0.000 1.151 85 W CA -0.400 56.780 57.345 -0.274 0.000 1.765 85 W CB 0.402 29.847 29.460 -0.024 0.000 1.085 85 W HN 0.146 nan 8.180 nan 0.000 0.596 86 E N -0.384 119.325 120.200 -0.819 0.000 2.338 86 E HA -0.135 4.215 4.350 0.000 0.000 0.197 86 E C 1.266 177.579 176.600 -0.477 0.000 1.007 86 E CA 1.646 57.290 56.400 -1.259 0.000 0.849 86 E CB -0.249 28.606 29.700 -1.409 0.000 0.774 86 E HN 0.049 nan 8.360 nan 0.000 0.506 87 T N 0.141 114.523 114.554 -0.286 0.000 2.953 87 T HA 0.028 4.378 4.350 0.000 0.000 0.247 87 T C 1.926 176.596 174.700 -0.051 0.000 1.029 87 T CA 0.702 62.720 62.100 -0.136 0.000 1.144 87 T CB 0.010 68.796 68.868 -0.136 0.000 0.870 87 T HN 0.018 nan 8.240 nan 0.000 0.446 88 V N 1.730 121.622 119.914 -0.037 0.000 2.407 88 V HA -0.038 4.082 4.120 0.000 0.000 0.248 88 V C 1.831 178.012 176.094 0.145 0.000 1.055 88 V CA 1.256 63.592 62.300 0.061 0.000 1.049 88 V CB -0.373 31.513 31.823 0.105 0.000 0.662 88 V HN 0.441 nan 8.190 nan 0.000 0.455 89 M N -0.427 119.296 119.600 0.205 0.000 2.576 89 M HA 0.394 4.874 4.480 0.000 0.000 0.322 89 M C 0.659 177.146 176.300 0.311 0.000 1.184 89 M CA -0.579 54.883 55.300 0.269 0.000 0.967 89 M CB -0.396 32.442 32.600 0.397 0.000 1.372 89 M HN 0.258 nan 8.290 nan 0.000 0.509 90 A N 0.469 123.409 122.820 0.200 0.000 2.565 90 A HA 0.392 4.712 4.320 0.000 0.000 0.237 90 A C 1.503 179.196 177.584 0.182 0.000 1.053 90 A CA 0.786 52.954 52.037 0.219 0.000 0.755 90 A CB 0.261 19.322 19.000 0.100 0.000 0.980 90 A HN 0.590 nan 8.150 nan 0.000 0.506 91 A N 2.163 125.096 122.820 0.188 0.000 1.930 91 A HA 0.023 4.343 4.320 0.000 0.000 0.217 91 A C 0.849 178.480 177.584 0.078 0.000 1.175 91 A CA 1.305 53.407 52.037 0.108 0.000 0.627 91 A CB -0.218 18.831 19.000 0.083 0.000 0.815 91 A HN 0.815 nan 8.150 nan 0.000 0.443 92 D N -0.324 120.124 120.400 0.081 0.000 2.332 92 D HA 0.468 5.108 4.640 0.000 0.000 0.252 92 D C -2.554 173.774 176.300 0.048 0.000 1.050 92 D CA -1.417 52.617 54.000 0.057 0.000 0.970 92 D CB 0.310 41.142 40.800 0.054 0.000 1.141 92 D HN -0.008 nan 8.370 nan 0.000 0.485 93 P HA 0.078 nan 4.420 nan 0.000 0.267 93 P C -0.743 176.571 177.300 0.024 0.000 1.200 93 P CA -0.129 62.988 63.100 0.029 0.000 0.772 93 P CB 0.612 32.327 31.700 0.024 0.000 0.855 94 V N 2.539 122.463 119.914 0.017 0.000 2.656 94 V HA 0.186 4.307 4.120 0.000 0.000 0.307 94 V C -0.487 175.609 176.094 0.003 0.000 1.051 94 V CA -0.915 61.389 62.300 0.007 0.000 0.893 94 V CB 1.820 33.643 31.823 0.001 0.000 0.999 94 V HN 0.617 nan 8.190 nan 0.000 0.426 95 D N 4.893 125.293 120.400 -0.001 0.000 2.502 95 D HA 0.002 4.642 4.640 0.000 0.000 0.249 95 D C -1.981 174.316 176.300 -0.005 0.000 1.188 95 D CA -1.499 52.500 54.000 -0.002 0.000 0.890 95 D CB 0.699 41.496 40.800 -0.005 0.000 1.140 95 D HN 0.213 nan 8.370 nan 0.000 0.505 96 P HA -0.150 nan 4.420 nan 0.000 0.221 96 P C 1.193 178.489 177.300 -0.007 0.000 1.145 96 P CA 1.814 64.912 63.100 -0.002 0.000 0.795 96 P CB 0.179 31.881 31.700 0.002 0.000 0.775 97 A N -0.185 122.630 122.820 -0.008 0.000 1.897 97 A HA -0.186 4.134 4.320 0.000 0.000 0.215 97 A C 2.351 179.924 177.584 -0.017 0.000 1.181 97 A CA 1.422 53.452 52.037 -0.011 0.000 0.620 97 A CB -1.115 17.879 19.000 -0.010 0.000 0.821 97 A HN 0.195 nan 8.150 nan 0.000 0.443 98 E N -0.491 119.698 120.200 -0.019 0.000 2.051 98 E HA -0.210 4.140 4.350 0.000 0.000 0.192 98 E C 1.830 178.410 176.600 -0.033 0.000 0.991 98 E CA 1.287 57.671 56.400 -0.027 0.000 0.799 98 E CB -0.208 29.476 29.700 -0.027 0.000 0.748 98 E HN 0.324 nan 8.360 nan 0.000 0.449 99 L N 1.036 122.242 121.223 -0.028 0.000 2.079 99 L HA -0.143 4.197 4.340 0.000 0.000 0.210 99 L C 2.377 179.229 176.870 -0.030 0.000 1.081 99 L CA 2.015 56.837 54.840 -0.030 0.000 0.752 99 L CB -0.999 41.049 42.059 -0.018 0.000 0.896 99 L HN 0.260 nan 8.230 nan 0.000 0.433 100 A N -1.353 121.453 122.820 -0.024 0.000 2.015 100 A HA -0.161 4.159 4.320 0.000 0.000 0.219 100 A C 1.660 179.227 177.584 -0.029 0.000 1.163 100 A CA 1.579 53.603 52.037 -0.022 0.000 0.646 100 A CB -0.481 18.510 19.000 -0.016 0.000 0.806 100 A HN 0.437 nan 8.150 nan 0.000 0.448 101 D N -0.563 119.816 120.400 -0.034 0.000 2.328 101 D HA 0.154 4.794 4.640 0.000 0.000 0.226 101 D C -0.256 176.012 176.300 -0.054 0.000 1.066 101 D CA 0.347 54.323 54.000 -0.040 0.000 0.861 101 D CB 0.307 41.083 40.800 -0.039 0.000 0.912 101 D HN 0.144 nan 8.370 nan 0.000 0.521 102 V N 1.400 121.278 119.914 -0.060 0.000 2.328 102 V HA 0.339 4.459 4.120 0.000 0.000 0.278 102 V C 1.307 177.352 176.094 -0.082 0.000 1.021 102 V CA -0.542 61.709 62.300 -0.082 0.000 0.838 102 V CB 1.226 32.992 31.823 -0.095 0.000 0.999 102 V HN 0.024 nan 8.190 nan 0.000 0.447 103 A N 4.914 127.681 122.820 -0.089 0.000 1.940 103 A HA -0.171 4.149 4.320 0.000 0.000 0.219 103 A C 2.184 179.712 177.584 -0.093 0.000 1.176 103 A CA 1.830 53.819 52.037 -0.080 0.000 0.631 103 A CB -0.396 18.555 19.000 -0.082 0.000 0.814 103 A HN 0.798 nan 8.150 nan 0.000 0.446 104 R N -0.388 120.026 120.500 -0.142 0.000 2.200 104 R HA -0.150 4.190 4.340 0.000 0.000 0.234 104 R C 1.423 177.666 176.300 -0.095 0.000 1.127 104 R CA 1.601 57.591 56.100 -0.183 0.000 0.989 104 R CB -0.296 29.787 30.300 -0.362 0.000 0.869 104 R HN 0.594 nan 8.270 nan 0.000 0.459 105 N N -0.166 118.492 118.700 -0.070 0.000 2.383 105 N HA 0.083 4.823 4.740 0.000 0.000 0.192 105 N C -0.798 174.705 175.510 -0.011 0.000 1.141 105 N CA 0.139 53.175 53.050 -0.023 0.000 0.851 105 N CB 0.437 38.905 38.487 -0.030 0.000 0.976 105 N HN 0.232 nan 8.380 nan 0.000 0.465 106 A N 1.322 124.131 122.820 -0.018 0.000 2.492 106 A HA 0.289 4.609 4.320 0.000 0.000 0.254 106 A C -1.977 175.607 177.584 0.001 0.000 1.091 106 A CA -1.029 51.001 52.037 -0.011 0.000 0.768 106 A CB -0.166 18.825 19.000 -0.016 0.000 1.028 106 A HN 0.236 nan 8.150 nan 0.000 0.498 107 P HA 0.183 nan 4.420 nan 0.000 0.269 107 P C -0.845 176.462 177.300 0.011 0.000 1.211 107 P CA 0.157 63.261 63.100 0.007 0.000 0.781 107 P CB 0.320 32.027 31.700 0.012 0.000 0.877 108 L N 1.690 122.920 121.223 0.013 0.000 2.318 108 L HA 0.343 4.683 4.340 0.000 0.000 0.277 108 L C 0.968 177.857 176.870 0.030 0.000 1.008 108 L CA -0.116 54.734 54.840 0.017 0.000 0.846 108 L CB 1.140 43.205 42.059 0.011 0.000 1.220 108 L HN 0.458 nan 8.230 nan 0.000 0.423 109 T N -1.589 112.987 114.554 0.037 0.000 3.145 109 T HA 0.263 4.613 4.350 0.000 0.000 0.281 109 T C 0.639 175.376 174.700 0.063 0.000 1.003 109 T CA -0.418 61.714 62.100 0.053 0.000 0.901 109 T CB 0.045 68.942 68.868 0.048 0.000 1.112 109 T HN 0.374 nan 8.240 nan 0.000 0.535 110 R N 2.893 123.425 120.500 0.054 0.000 2.335 110 R HA 0.392 4.732 4.340 0.000 0.000 0.302 110 R C -2.866 173.471 176.300 0.063 0.000 1.147 110 R CA -1.853 54.280 56.100 0.054 0.000 1.111 110 R CB 1.006 31.327 30.300 0.035 0.000 1.122 110 R HN 0.278 nan 8.270 nan 0.000 0.557 111 P HA 0.033 nan 4.420 nan 0.000 0.271 111 P C -0.666 176.689 177.300 0.092 0.000 1.216 111 P CA -0.179 62.990 63.100 0.115 0.000 0.771 111 P CB 0.796 32.613 31.700 0.195 0.000 0.864 112 R N 4.070 124.629 120.500 0.098 0.000 2.316 112 R HA 0.271 4.611 4.340 0.000 0.000 0.314 112 R C -2.005 174.392 176.300 0.162 0.000 1.069 112 R CA -1.610 54.560 56.100 0.117 0.000 0.959 112 R CB -0.557 29.803 30.300 0.099 0.000 0.987 112 R HN 0.386 nan 8.270 nan 0.000 0.446 113 P HA -0.096 nan 4.420 nan 0.000 0.263 113 P C 0.745 178.104 177.300 0.099 0.000 1.175 113 P CA 1.069 64.215 63.100 0.077 0.000 0.761 113 P CB 0.653 32.376 31.700 0.039 0.000 0.794 114 G N 0.717 109.539 108.800 0.038 0.000 2.217 114 G HA2 -0.194 3.766 3.960 0.000 0.000 0.246 114 G HA3 -0.194 3.766 3.960 0.000 0.000 0.246 114 G C 0.302 175.088 174.900 -0.190 0.000 0.990 114 G CA -0.236 44.824 45.100 -0.066 0.000 0.627 114 G HN 0.648 nan 8.290 nan 0.000 0.522 115 H N -0.810 118.292 119.070 0.053 0.000 2.693 115 H HA 0.630 5.186 4.556 0.000 0.000 0.348 115 H C 1.506 176.882 175.328 0.081 0.000 1.222 115 H CA -0.070 56.013 56.048 0.059 0.000 1.270 115 H CB 1.566 31.361 29.762 0.054 0.000 1.798 115 H HN 0.222 nan 8.280 nan 0.000 0.592 116 A N 0.653 123.600 122.820 0.211 0.000 2.125 116 A HA -0.160 4.160 4.320 0.000 0.000 0.219 116 A C 1.453 179.144 177.584 0.178 0.000 1.156 116 A CA 1.331 53.466 52.037 0.164 0.000 0.671 116 A CB -0.368 18.715 19.000 0.139 0.000 0.794 116 A HN 0.642 nan 8.150 nan 0.000 0.459 117 D N -0.802 119.713 120.400 0.191 0.000 2.177 117 D HA -0.264 4.376 4.640 0.000 0.000 0.189 117 D C 1.632 178.051 176.300 0.199 0.000 1.002 117 D CA 2.106 56.208 54.000 0.170 0.000 0.845 117 D CB -0.751 40.139 40.800 0.151 0.000 0.960 117 D HN 0.645 nan 8.370 nan 0.000 0.447 118 Y N 1.256 121.615 120.300 0.098 0.000 2.114 118 Y HA -0.150 4.400 4.550 0.000 0.000 0.284 118 Y C 2.337 178.291 175.900 0.089 0.000 1.143 118 Y CA 2.163 60.314 58.100 0.085 0.000 1.135 118 Y CB -0.572 37.929 38.460 0.067 0.000 0.980 118 Y HN -0.027 nan 8.280 nan 0.000 0.499 119 A N 0.114 122.987 122.820 0.088 0.000 1.933 119 A HA -0.058 4.262 4.320 0.000 0.000 0.218 119 A C 2.430 180.000 177.584 -0.024 0.000 1.175 119 A CA 1.613 53.619 52.037 -0.052 0.000 0.628 119 A CB -1.678 17.375 19.000 0.089 0.000 0.814 119 A HN 0.630 nan 8.150 nan 0.000 0.444 120 G N -0.694 108.164 108.800 0.096 0.000 2.408 120 G HA2 -0.174 3.787 3.960 0.000 0.000 0.217 120 G HA3 -0.174 3.787 3.960 0.000 0.000 0.217 120 G C 1.625 176.670 174.900 0.242 0.000 1.150 120 G CA 1.094 46.324 45.100 0.217 0.000 0.776 120 G HN 0.461 nan 8.290 nan 0.000 0.542 121 M N -0.402 119.295 119.600 0.161 0.000 2.086 121 M HA 0.005 4.485 4.480 0.000 0.000 0.261 121 M C 2.431 178.733 176.300 0.003 0.000 1.067 121 M CA 1.012 56.410 55.300 0.165 0.000 1.116 121 M CB -0.322 32.351 32.600 0.122 0.000 1.348 121 M HN 0.149 nan 8.290 nan 0.000 0.407 122 L N 0.239 121.376 121.223 -0.143 0.000 2.027 122 L HA -0.167 4.173 4.340 0.000 0.000 0.206 122 L C 2.416 179.186 176.870 -0.167 0.000 1.074 122 L CA 1.770 56.493 54.840 -0.194 0.000 0.745 122 L CB -0.829 41.024 42.059 -0.342 0.000 0.898 122 L HN 0.241 nan 8.230 nan 0.000 0.433 123 K N -1.134 119.172 120.400 -0.157 0.000 2.032 123 K HA -0.229 4.091 4.320 0.000 0.000 0.209 123 K C 1.782 178.143 176.600 -0.398 0.000 1.048 123 K CA 1.904 58.040 56.287 -0.252 0.000 0.927 123 K CB -0.215 32.141 32.500 -0.240 0.000 0.712 123 K HN 0.272 nan 8.250 nan 0.000 0.441 124 Y N -0.543 119.565 120.300 -0.320 0.000 2.457 124 Y HA 0.213 4.763 4.550 0.000 0.000 0.263 124 Y C 1.094 176.579 175.900 -0.692 0.000 1.164 124 Y CA 0.429 58.167 58.100 -0.604 0.000 1.274 124 Y CB 1.008 38.855 38.460 -1.022 0.000 1.097 124 Y HN 0.377 nan 8.280 nan 0.000 0.523 125 G N 0.203 108.828 108.800 -0.292 0.000 2.221 125 G HA2 -0.307 3.653 3.960 0.000 0.000 0.265 125 G HA3 -0.307 3.653 3.960 0.000 0.000 0.265 125 G C -0.303 174.554 174.900 -0.072 0.000 1.041 125 G CA -0.265 44.736 45.100 -0.166 0.000 0.807 125 G HN 0.134 nan 8.290 nan 0.000 0.502 126 F N 0.380 120.366 119.950 0.060 0.000 2.396 126 F HA 0.424 4.951 4.527 -0.000 0.000 0.343 126 F C 1.180 176.997 175.800 0.028 0.000 1.104 126 F CA -1.418 56.608 58.000 0.044 0.000 1.161 126 F CB 1.071 40.096 39.000 0.042 0.000 1.146 126 F HN -0.022 nan 8.300 nan 0.000 0.522 127 D N 0.230 120.769 120.400 0.231 0.000 2.339 127 D HA -0.016 4.624 4.640 0.000 0.000 0.217 127 D C -0.179 176.180 176.300 0.099 0.000 1.050 127 D CA 0.697 54.775 54.000 0.130 0.000 0.856 127 D CB 0.137 40.992 40.800 0.092 0.000 0.922 127 D HN 0.413 nan 8.370 nan 0.000 0.518 128 D N -0.706 119.748 120.400 0.091 0.000 2.780 128 D HA 0.382 5.022 4.640 0.000 0.000 0.242 128 D C 0.479 176.776 176.300 -0.005 0.000 1.135 128 D CA -0.799 53.213 54.000 0.020 0.000 0.859 128 D CB 1.869 42.652 40.800 -0.029 0.000 1.530 128 D HN -0.148 nan 8.370 nan 0.000 0.493 129 A N 3.731 126.555 122.820 0.007 0.000 2.119 129 A HA -0.056 4.264 4.320 0.000 0.000 0.217 129 A C 1.940 179.484 177.584 -0.066 0.000 1.153 129 A CA 1.161 53.200 52.037 0.004 0.000 0.692 129 A CB -0.283 18.736 19.000 0.032 0.000 0.799 129 A HN 0.543 nan 8.150 nan 0.000 0.458 130 R N 1.119 121.565 120.500 -0.090 0.000 2.094 130 R HA -0.129 4.211 4.340 0.000 0.000 0.239 130 R C -0.804 175.389 176.300 -0.179 0.000 1.137 130 R CA 2.593 58.634 56.100 -0.099 0.000 0.943 130 R CB -1.484 28.777 30.300 -0.064 0.000 0.850 130 R HN 0.443 nan 8.270 nan 0.000 0.433 131 P HA -0.106 nan 4.420 nan 0.000 0.220 131 P C 1.182 178.297 177.300 -0.307 0.000 1.148 131 P CA 1.095 63.923 63.100 -0.453 0.000 0.803 131 P CB 0.013 31.106 31.700 -1.012 0.000 0.782 132 V N 0.939 120.727 119.914 -0.209 0.000 2.273 132 V HA -0.198 3.922 4.120 0.000 0.000 0.242 132 V C 2.736 178.807 176.094 -0.038 0.000 1.035 132 V CA 1.881 64.156 62.300 -0.041 0.000 1.013 132 V CB -1.492 30.377 31.823 0.078 0.000 0.652 132 V HN 0.033 nan 8.190 nan 0.000 0.452 133 L N -0.922 120.275 121.223 -0.043 0.000 2.201 133 L HA -0.024 4.316 4.340 0.000 0.000 0.212 133 L C 2.165 178.987 176.870 -0.080 0.000 1.105 133 L CA 1.751 56.566 54.840 -0.042 0.000 0.775 133 L CB -1.142 40.889 42.059 -0.048 0.000 0.913 133 L HN 0.169 nan 8.230 nan 0.000 0.440 134 E N 0.667 120.804 120.200 -0.104 0.000 2.110 134 E HA -0.220 4.130 4.350 0.000 0.000 0.193 134 E C 2.284 178.807 176.600 -0.129 0.000 0.988 134 E CA 1.270 57.586 56.400 -0.140 0.000 0.804 134 E CB -0.109 29.515 29.700 -0.126 0.000 0.745 134 E HN 0.495 nan 8.360 nan 0.000 0.458 135 R N 0.585 121.028 120.500 -0.095 0.000 2.156 135 R HA 0.152 4.492 4.340 0.000 0.000 0.207 135 R C 1.928 178.204 176.300 -0.040 0.000 1.040 135 R CA 1.196 57.253 56.100 -0.072 0.000 1.013 135 R CB -0.474 29.785 30.300 -0.069 0.000 0.931 135 R HN 0.065 nan 8.270 nan 0.000 0.465 136 A N 0.086 122.893 122.820 -0.020 0.000 2.015 136 A HA 0.018 4.338 4.320 0.000 0.000 0.219 136 A C 1.161 178.755 177.584 0.018 0.000 1.163 136 A CA 0.876 52.925 52.037 0.020 0.000 0.646 136 A CB -0.664 18.369 19.000 0.055 0.000 0.806 136 A HN 0.387 nan 8.150 nan 0.000 0.448 137 S N -0.383 115.306 115.700 -0.018 0.000 2.558 137 S HA 0.236 4.706 4.470 0.000 0.000 0.291 137 S C 1.264 175.850 174.600 -0.022 0.000 1.306 137 S CA 0.151 58.335 58.200 -0.028 0.000 1.056 137 S CB 0.705 63.840 63.200 -0.108 0.000 0.836 137 S HN 0.998 nan 8.310 nan 0.000 0.504 138 A N 4.423 127.242 122.820 -0.001 0.000 2.225 138 A HA -0.038 4.282 4.320 0.000 0.000 0.215 138 A C 2.000 179.568 177.584 -0.028 0.000 1.164 138 A CA 1.470 53.505 52.037 -0.004 0.000 0.710 138 A CB -0.581 18.427 19.000 0.015 0.000 0.780 138 A HN 0.911 nan 8.150 nan 0.000 0.473 139 R N 0.961 121.425 120.500 -0.060 0.000 2.139 139 R HA -0.175 4.165 4.340 0.000 0.000 0.243 139 R C 1.886 178.150 176.300 -0.060 0.000 1.145 139 R CA 1.872 57.926 56.100 -0.076 0.000 0.976 139 R CB -0.515 29.702 30.300 -0.140 0.000 0.866 139 R HN 0.588 nan 8.270 nan 0.000 0.449 140 E N -0.040 120.129 120.200 -0.052 0.000 2.267 140 E HA -0.167 4.184 4.350 0.000 0.000 0.197 140 E C 1.126 177.715 176.600 -0.018 0.000 0.998 140 E CA 1.750 58.130 56.400 -0.034 0.000 0.830 140 E CB -0.130 29.558 29.700 -0.021 0.000 0.751 140 E HN 0.607 nan 8.360 nan 0.000 0.491 141 T N -2.293 112.252 114.554 -0.016 0.000 3.007 141 T HA 0.093 4.443 4.350 0.000 0.000 0.270 141 T C 1.912 176.601 174.700 -0.017 0.000 1.107 141 T CA 1.002 63.095 62.100 -0.011 0.000 1.118 141 T CB -0.145 68.718 68.868 -0.008 0.000 0.889 141 T HN 0.191 nan 8.240 nan 0.000 0.506 142 A N 1.782 124.589 122.820 -0.021 0.000 1.902 142 A HA 0.336 4.656 4.320 0.000 0.000 0.217 142 A C 2.837 180.409 177.584 -0.020 0.000 1.181 142 A CA 1.699 53.723 52.037 -0.021 0.000 0.623 142 A CB -1.394 17.591 19.000 -0.025 0.000 0.818 142 A HN 0.754 nan 8.150 nan 0.000 0.443 143 A N -0.103 122.705 122.820 -0.019 0.000 1.933 143 A HA -0.152 4.168 4.320 0.000 0.000 0.218 143 A C 2.218 179.798 177.584 -0.007 0.000 1.175 143 A CA 1.460 53.491 52.037 -0.011 0.000 0.628 143 A CB -0.455 18.541 19.000 -0.007 0.000 0.814 143 A HN 0.571 nan 8.150 nan 0.000 0.444 144 R N -0.655 119.839 120.500 -0.010 0.000 2.083 144 R HA -0.103 4.237 4.340 0.000 0.000 0.237 144 R C 1.977 178.239 176.300 -0.063 0.000 1.137 144 R CA 1.542 57.623 56.100 -0.033 0.000 0.951 144 R CB -0.705 29.576 30.300 -0.032 0.000 0.851 144 R HN 0.372 nan 8.270 nan 0.000 0.434 145 V N 1.220 121.106 119.914 -0.045 0.000 2.407 145 V HA -0.247 3.873 4.120 0.000 0.000 0.248 145 V C 2.468 178.539 176.094 -0.039 0.000 1.055 145 V CA 1.876 64.149 62.300 -0.046 0.000 1.049 145 V CB -0.723 31.082 31.823 -0.029 0.000 0.662 145 V HN 0.425 nan 8.190 nan 0.000 0.455 146 A N 0.183 122.986 122.820 -0.027 0.000 1.883 146 A HA -0.161 4.159 4.320 0.000 0.000 0.217 146 A C 2.466 180.037 177.584 -0.022 0.000 1.186 146 A CA 2.235 54.261 52.037 -0.018 0.000 0.624 146 A CB -0.891 18.103 19.000 -0.010 0.000 0.822 146 A HN 0.570 nan 8.150 nan 0.000 0.444 147 A N -0.534 122.269 122.820 -0.028 0.000 1.883 147 A HA 0.082 4.402 4.320 0.000 0.000 0.217 147 A C 2.453 179.985 177.584 -0.087 0.000 1.186 147 A CA 2.036 54.052 52.037 -0.036 0.000 0.624 147 A CB -1.511 17.475 19.000 -0.023 0.000 0.822 147 A HN 0.851 nan 8.150 nan 0.000 0.444 148 G N -1.140 107.582 108.800 -0.130 0.000 2.462 148 G HA2 -0.170 3.790 3.960 0.000 0.000 0.220 148 G HA3 -0.170 3.790 3.960 0.000 0.000 0.220 148 G C 1.497 176.352 174.900 -0.074 0.000 1.121 148 G CA 1.657 46.669 45.100 -0.147 0.000 0.758 148 G HN 0.452 nan 8.290 nan 0.000 0.559 149 T N 0.902 115.431 114.554 -0.041 0.000 2.720 149 T HA -0.134 4.216 4.350 0.000 0.000 0.268 149 T C 2.540 177.246 174.700 0.009 0.000 1.037 149 T CA 1.263 63.356 62.100 -0.012 0.000 1.144 149 T CB -0.245 68.621 68.868 -0.003 0.000 0.864 149 T HN 0.110 nan 8.240 nan 0.000 0.444 150 V N 1.759 121.679 119.914 0.009 0.000 2.343 150 V HA -0.170 3.950 4.120 0.000 0.000 0.247 150 V C 2.923 179.054 176.094 0.061 0.000 1.051 150 V CA 1.660 63.981 62.300 0.036 0.000 1.036 150 V CB -1.288 30.551 31.823 0.026 0.000 0.654 150 V HN 0.537 nan 8.190 nan 0.000 0.451 151 A N 0.306 123.136 122.820 0.016 0.000 1.902 151 A HA -0.237 4.083 4.320 0.000 0.000 0.217 151 A C 2.376 180.021 177.584 0.101 0.000 1.181 151 A CA 1.947 54.010 52.037 0.044 0.000 0.623 151 A CB -0.485 18.468 19.000 -0.079 0.000 0.818 151 A HN 0.553 nan 8.150 nan 0.000 0.443 152 R N -0.391 120.133 120.500 0.039 0.000 2.081 152 R HA -0.062 4.278 4.340 0.000 0.000 0.235 152 R C 2.498 178.823 176.300 0.041 0.000 1.131 152 R CA 1.230 57.349 56.100 0.031 0.000 0.960 152 R CB -0.560 29.743 30.300 0.005 0.000 0.856 152 R HN 0.496 nan 8.270 nan 0.000 0.436 153 A N 1.346 124.200 122.820 0.057 0.000 1.883 153 A HA -0.212 4.108 4.320 0.000 0.000 0.217 153 A C 2.016 179.630 177.584 0.050 0.000 1.186 153 A CA 1.309 53.377 52.037 0.051 0.000 0.624 153 A CB -0.721 18.321 19.000 0.070 0.000 0.822 153 A HN 0.375 nan 8.150 nan 0.000 0.444 154 F N 0.685 120.625 119.950 -0.017 0.000 2.065 154 F HA -0.203 4.324 4.527 0.000 0.000 0.298 154 F C 1.926 177.715 175.800 -0.017 0.000 1.112 154 F CA 1.986 59.975 58.000 -0.019 0.000 1.212 154 F CB -0.390 38.608 39.000 -0.002 0.000 0.975 154 F HN 0.151 nan 8.300 nan 0.000 0.476 155 L N -0.052 121.119 121.223 -0.087 0.000 2.046 155 L HA -0.222 4.118 4.340 0.000 0.000 0.208 155 L C 2.770 179.519 176.870 -0.201 0.000 1.077 155 L CA 1.747 56.489 54.840 -0.163 0.000 0.747 155 L CB -0.691 41.378 42.059 0.016 0.000 0.896 155 L HN 0.153 nan 8.230 nan 0.000 0.432 156 R N -0.020 120.401 120.500 -0.131 0.000 2.066 156 R HA -0.169 4.171 4.340 0.000 0.000 0.232 156 R C 2.299 178.507 176.300 -0.154 0.000 1.131 156 R CA 1.507 57.541 56.100 -0.110 0.000 0.955 156 R CB -0.058 30.206 30.300 -0.058 0.000 0.851 156 R HN 0.410 nan 8.270 nan 0.000 0.432 157 Q N -0.653 119.033 119.800 -0.191 0.000 2.123 157 Q HA -0.031 4.309 4.340 0.000 0.000 0.199 157 Q C 1.970 177.804 176.000 -0.277 0.000 0.966 157 Q CA 1.467 57.148 55.803 -0.204 0.000 0.845 157 Q CB 0.098 28.720 28.738 -0.194 0.000 0.907 157 Q HN 0.408 nan 8.270 nan 0.000 0.439 158 A N 0.005 122.548 122.820 -0.461 0.000 1.903 158 A HA 0.041 4.361 4.320 0.000 0.000 0.213 158 A C 1.674 179.041 177.584 -0.361 0.000 1.185 158 A CA 0.815 52.551 52.037 -0.501 0.000 0.628 158 A CB 0.108 18.530 19.000 -0.964 0.000 0.830 158 A HN 0.278 nan 8.150 nan 0.000 0.446 159 L N -2.000 119.032 121.223 -0.319 0.000 2.966 159 L HA 0.302 4.642 4.340 0.000 0.000 0.262 159 L C 1.365 178.159 176.870 -0.126 0.000 1.165 159 L CA 0.405 55.125 54.840 -0.200 0.000 0.978 159 L CB 0.561 42.532 42.059 -0.146 0.000 1.337 159 L HN 0.506 nan 8.230 nan 0.000 0.563 160 G N 1.379 110.102 108.800 -0.128 0.000 2.225 160 G HA2 -0.248 3.712 3.960 0.000 0.000 0.267 160 G HA3 -0.248 3.712 3.960 0.000 0.000 0.267 160 G C 0.113 174.978 174.900 -0.058 0.000 1.024 160 G CA 0.326 45.377 45.100 -0.082 0.000 0.784 160 G HN 0.129 nan 8.290 nan 0.000 0.507 161 V N 0.525 120.402 119.914 -0.061 0.000 2.509 161 V HA 0.545 4.665 4.120 0.000 0.000 0.284 161 V C 0.170 176.248 176.094 -0.027 0.000 1.047 161 V CA -0.557 61.725 62.300 -0.031 0.000 0.952 161 V CB 1.745 33.559 31.823 -0.016 0.000 0.988 161 V HN 0.332 nan 8.190 nan 0.000 0.469 162 E N 2.992 123.181 120.200 -0.017 0.000 2.212 162 E HA 0.558 4.908 4.350 0.000 0.000 0.268 162 E C -1.348 175.247 176.600 -0.009 0.000 0.902 162 E CA -0.555 55.836 56.400 -0.016 0.000 0.779 162 E CB 2.551 32.238 29.700 -0.021 0.000 1.172 162 E HN 0.356 nan 8.360 nan 0.000 0.409 163 V N 4.065 123.975 119.914 -0.007 0.000 2.448 163 V HA 0.521 4.641 4.120 0.000 0.000 0.295 163 V C 0.165 176.256 176.094 -0.004 0.000 1.025 163 V CA -0.661 61.638 62.300 -0.002 0.000 0.859 163 V CB 1.093 32.915 31.823 -0.002 0.000 0.988 163 V HN 0.531 nan 8.190 nan 0.000 0.431 164 L N 2.866 124.090 121.223 0.001 0.000 2.301 164 L HA 1.101 5.442 4.340 0.000 0.000 0.249 164 L C -0.332 176.560 176.870 0.037 0.000 1.069 164 L CA -0.587 54.256 54.840 0.005 0.000 0.865 164 L CB 2.419 44.465 42.059 -0.021 0.000 1.467 164 L HN 0.643 nan 8.230 nan 0.000 0.419 165 S N -1.625 114.111 115.700 0.060 0.000 2.607 165 S HA 0.799 5.269 4.470 0.000 0.000 0.273 165 S C -1.195 173.516 174.600 0.185 0.000 1.148 165 S CA -0.523 57.745 58.200 0.114 0.000 0.833 165 S CB 1.511 64.745 63.200 0.057 0.000 1.130 165 S HN 1.243 nan 8.310 nan 0.000 0.470 166 H N -2.011 117.068 119.070 0.016 0.000 3.016 166 H HA 0.783 5.339 4.556 0.000 0.000 0.362 166 H C -1.643 173.722 175.328 0.061 0.000 1.233 166 H CA -1.400 54.669 56.048 0.036 0.000 1.124 166 H CB 1.065 30.851 29.762 0.040 0.000 1.850 166 H HN 0.521 nan 8.280 nan 0.000 0.549 167 V N 3.012 122.926 119.914 -0.001 0.000 2.465 167 V HA 0.037 4.157 4.120 0.000 0.000 0.279 167 V C 0.731 176.803 176.094 -0.037 0.000 1.045 167 V CA -0.541 61.733 62.300 -0.045 0.000 0.938 167 V CB 0.939 32.772 31.823 0.017 0.000 0.986 167 V HN 0.730 nan 8.190 nan 0.000 0.467 168 I N 2.947 123.482 120.570 -0.057 0.000 2.494 168 I HA 0.079 4.249 4.170 0.000 0.000 0.250 168 I C 1.016 177.176 176.117 0.072 0.000 1.112 168 I CA 1.116 62.436 61.300 0.034 0.000 1.438 168 I CB -0.146 37.849 38.000 -0.008 0.000 1.111 168 I HN 0.800 nan 8.210 nan 0.000 0.431 169 S N -0.048 115.672 115.700 0.034 0.000 2.547 169 S HA 0.703 5.173 4.470 0.000 0.000 0.270 169 S C -1.007 173.607 174.600 0.023 0.000 1.150 169 S CA -0.743 57.479 58.200 0.036 0.000 0.850 169 S CB 2.265 65.482 63.200 0.028 0.000 1.118 169 S HN 0.021 nan 8.310 nan 0.000 0.461 170 I N 2.014 122.600 120.570 0.027 0.000 2.569 170 I HA 0.617 4.787 4.170 0.000 0.000 0.290 170 I C 1.018 177.148 176.117 0.021 0.000 1.088 170 I CA 0.178 61.492 61.300 0.024 0.000 1.047 170 I CB 1.633 39.654 38.000 0.035 0.000 1.237 170 I HN 1.288 nan 8.210 nan 0.000 0.421 171 G N 4.520 113.328 108.800 0.013 0.000 2.634 171 G HA2 -0.327 3.633 3.960 0.000 0.000 0.309 171 G HA3 -0.327 3.633 3.960 0.000 0.000 0.309 171 G C 0.660 175.565 174.900 0.009 0.000 1.265 171 G CA 0.458 45.564 45.100 0.010 0.000 0.998 171 G HN 1.035 nan 8.290 nan 0.000 0.551 172 A N 0.271 123.098 122.820 0.010 0.000 2.411 172 A HA 0.625 4.945 4.320 0.000 0.000 0.251 172 A C 1.400 178.993 177.584 0.014 0.000 1.317 172 A CA 1.436 53.479 52.037 0.009 0.000 0.904 172 A CB -0.909 18.095 19.000 0.007 0.000 0.993 172 A HN 2.212 nan 8.150 nan 0.000 0.504 173 S N -0.048 115.664 115.700 0.020 0.000 2.579 173 S HA 0.483 4.953 4.470 0.000 0.000 0.275 173 S C 0.448 175.066 174.600 0.030 0.000 1.345 173 S CA -0.029 58.187 58.200 0.027 0.000 1.031 173 S CB 0.899 64.120 63.200 0.034 0.000 0.892 173 S HN 1.145 nan 8.310 nan 0.000 0.529 174 A N 3.274 126.115 122.820 0.036 0.000 2.396 174 A HA 0.537 4.857 4.320 0.000 0.000 0.279 174 A C -2.189 175.431 177.584 0.060 0.000 1.165 174 A CA -1.484 50.576 52.037 0.039 0.000 0.824 174 A CB -0.864 18.159 19.000 0.038 0.000 1.100 174 A HN 0.728 nan 8.150 nan 0.000 0.516 175 P HA 0.023 nan 4.420 nan 0.000 0.268 175 P C -0.674 176.695 177.300 0.115 0.000 1.205 175 P CA 0.212 63.356 63.100 0.073 0.000 0.771 175 P CB 0.175 31.897 31.700 0.037 0.000 0.858 176 Y N 2.247 122.572 120.300 0.043 0.000 2.436 176 Y HA 0.101 4.651 4.550 -0.000 0.000 0.343 176 Y C 0.909 176.860 175.900 0.085 0.000 1.008 176 Y CA 0.257 58.400 58.100 0.071 0.000 1.241 176 Y CB 0.409 38.938 38.460 0.115 0.000 1.153 176 Y HN 0.465 nan 8.280 nan 0.000 0.521 177 E N 3.366 123.261 120.200 -0.509 0.000 2.498 177 E HA 0.191 4.541 4.350 0.000 0.000 0.203 177 E C 1.007 177.261 176.600 -0.577 0.000 1.013 177 E CA -0.018 56.137 56.400 -0.409 0.000 0.927 177 E CB 0.518 30.111 29.700 -0.179 0.000 1.012 177 E HN 0.882 nan 8.360 nan 0.000 0.482 178 G N 2.865 110.958 108.800 -1.179 0.000 2.611 178 G HA2 0.160 4.120 3.960 0.000 0.000 0.273 178 G HA3 0.160 4.120 3.960 0.000 0.000 0.273 178 G C -2.200 172.542 174.900 -0.263 0.000 1.305 178 G CA -0.858 43.889 45.100 -0.590 0.000 1.010 178 G HN -0.079 nan 8.290 nan 0.000 0.509 179 P HA 0.225 nan 4.420 nan 0.000 0.272 179 P C -2.461 175.005 177.300 0.275 0.000 1.223 179 P CA -1.029 62.161 63.100 0.149 0.000 0.784 179 P CB 0.582 32.373 31.700 0.151 0.000 0.923 180 P HA 0.222 nan 4.420 nan 0.000 0.274 180 P C -2.342 174.779 177.300 -0.298 0.000 1.237 180 P CA -1.562 61.506 63.100 -0.053 0.000 0.793 180 P CB -0.889 30.811 31.700 -0.000 0.000 0.977 181 P HA 0.234 nan 4.420 nan 0.000 0.274 181 P C -0.104 176.942 177.300 -0.424 0.000 1.246 181 P CA -0.074 62.415 63.100 -1.018 0.000 0.795 181 P CB 1.044 31.992 31.700 -1.254 0.000 1.006 182 R N -0.151 120.170 120.500 -0.298 0.000 2.700 182 R HA 0.530 4.870 4.340 0.000 0.000 0.253 182 R C 1.608 177.829 176.300 -0.132 0.000 1.091 182 R CA -0.659 55.352 56.100 -0.149 0.000 1.104 182 R CB 0.383 30.638 30.300 -0.076 0.000 1.202 182 R HN 0.424 nan 8.270 nan 0.000 0.532 183 A N 1.120 123.893 122.820 -0.078 0.000 1.940 183 A HA -0.232 4.088 4.320 0.000 0.000 0.219 183 A C 1.777 179.332 177.584 -0.048 0.000 1.176 183 A CA 2.056 54.058 52.037 -0.058 0.000 0.631 183 A CB -0.696 18.282 19.000 -0.037 0.000 0.814 183 A HN 0.881 nan 8.150 nan 0.000 0.446 184 E N -0.601 119.576 120.200 -0.039 0.000 2.409 184 E HA -0.146 4.204 4.350 0.000 0.000 0.198 184 E C 0.273 176.865 176.600 -0.013 0.000 1.024 184 E CA 1.005 57.394 56.400 -0.019 0.000 0.861 184 E CB -0.243 29.452 29.700 -0.008 0.000 0.788 184 E HN 0.514 nan 8.360 nan 0.000 0.521 185 D N 0.582 120.959 120.400 -0.039 0.000 2.349 185 D HA -0.021 4.619 4.640 0.000 0.000 0.215 185 D C 1.654 177.941 176.300 -0.021 0.000 1.016 185 D CA 0.075 54.064 54.000 -0.018 0.000 0.870 185 D CB 0.277 41.011 40.800 -0.110 0.000 0.917 185 D HN 0.196 nan 8.370 nan 0.000 0.524 186 L N 1.479 122.681 121.223 -0.035 0.000 2.083 186 L HA -0.038 4.302 4.340 0.000 0.000 0.209 186 L C -0.933 175.939 176.870 0.004 0.000 1.083 186 L CA 1.874 56.702 54.840 -0.020 0.000 0.752 186 L CB -1.159 40.887 42.059 -0.021 0.000 0.899 186 L HN -0.071 nan 8.230 nan 0.000 0.433 187 P HA -0.160 nan 4.420 nan 0.000 0.215 187 P C 1.548 178.860 177.300 0.020 0.000 1.153 187 P CA 2.017 65.125 63.100 0.012 0.000 0.853 187 P CB -0.169 31.537 31.700 0.010 0.000 0.788 188 A N -0.850 121.988 122.820 0.030 0.000 1.898 188 A HA -0.162 4.158 4.320 0.000 0.000 0.216 188 A C 2.226 179.837 177.584 0.045 0.000 1.181 188 A CA 1.388 53.447 52.037 0.038 0.000 0.620 188 A CB -1.610 17.423 19.000 0.055 0.000 0.819 188 A HN 0.103 nan 8.150 nan 0.000 0.442 189 I N -0.116 120.488 120.570 0.058 0.000 2.179 189 I HA -0.238 3.932 4.170 0.000 0.000 0.242 189 I C 1.698 177.842 176.117 0.045 0.000 1.088 189 I CA 1.570 62.908 61.300 0.063 0.000 1.357 189 I CB -0.381 37.654 38.000 0.059 0.000 1.051 189 I HN 0.201 nan 8.210 nan 0.000 0.409 190 D N 0.749 121.169 120.400 0.033 0.000 2.264 190 D HA -0.076 4.564 4.640 0.000 0.000 0.208 190 D C 2.038 178.354 176.300 0.027 0.000 0.966 190 D CA 1.113 55.130 54.000 0.029 0.000 0.864 190 D CB -0.003 40.810 40.800 0.021 0.000 0.933 190 D HN 0.347 nan 8.370 nan 0.000 0.499 191 A N -0.062 122.772 122.820 0.023 0.000 2.169 191 A HA 0.035 4.355 4.320 0.000 0.000 0.212 191 A C 1.372 178.964 177.584 0.014 0.000 1.153 191 A CA 0.081 52.128 52.037 0.017 0.000 0.756 191 A CB -0.007 19.000 19.000 0.012 0.000 0.813 191 A HN 0.133 nan 8.150 nan 0.000 0.471 192 S N 0.269 115.980 115.700 0.018 0.000 2.549 192 S HA 0.301 4.771 4.470 0.000 0.000 0.279 192 S C -1.470 173.143 174.600 0.021 0.000 1.321 192 S CA -1.201 57.006 58.200 0.011 0.000 1.054 192 S CB 0.810 64.019 63.200 0.016 0.000 0.899 192 S HN 0.139 nan 8.310 nan 0.000 0.497 193 P HA -0.068 nan 4.420 nan 0.000 0.221 193 P C 0.729 178.080 177.300 0.085 0.000 1.145 193 P CA 0.881 64.003 63.100 0.038 0.000 0.795 193 P CB -0.038 31.629 31.700 -0.055 0.000 0.775 194 V N -5.888 114.059 119.914 0.056 0.000 3.159 194 V HA 0.374 4.494 4.120 0.000 0.000 0.333 194 V C 0.420 176.547 176.094 0.055 0.000 1.424 194 V CA -0.608 61.733 62.300 0.068 0.000 1.125 194 V CB -0.939 30.922 31.823 0.063 0.000 1.075 194 V HN -0.073 nan 8.190 nan 0.000 0.482 195 R N 0.392 120.923 120.500 0.052 0.000 3.322 195 R HA -0.166 4.174 4.340 0.000 0.000 0.253 195 R C 0.474 176.822 176.300 0.080 0.000 0.987 195 R CA 0.725 56.861 56.100 0.060 0.000 0.666 195 R CB -1.733 28.602 30.300 0.058 0.000 1.072 195 R HN 0.945 nan 8.270 nan 0.000 0.447 196 A N 0.036 122.893 122.820 0.061 0.000 2.304 196 A HA 0.353 4.673 4.320 0.000 0.000 0.301 196 A C 0.344 177.973 177.584 0.074 0.000 1.132 196 A CA -0.469 51.605 52.037 0.060 0.000 0.819 196 A CB 0.455 19.454 19.000 -0.001 0.000 1.094 196 A HN 0.383 nan 8.150 nan 0.000 0.492 197 Y N 1.004 121.234 120.300 -0.117 0.000 2.448 197 Y HA 0.117 4.667 4.550 0.000 0.000 0.289 197 Y C 0.370 176.085 175.900 -0.307 0.000 1.114 197 Y CA 0.939 58.910 58.100 -0.215 0.000 1.235 197 Y CB 0.077 38.358 38.460 -0.299 0.000 1.045 197 Y HN 0.692 nan 8.280 nan 0.000 0.554 198 D N -0.053 120.036 120.400 -0.518 0.000 2.217 198 D HA 0.189 4.829 4.640 0.000 0.000 0.243 198 D C 0.828 176.978 176.300 -0.251 0.000 1.054 198 D CA -0.267 53.413 54.000 -0.534 0.000 0.838 198 D CB 1.171 41.530 40.800 -0.735 0.000 1.162 198 D HN -0.219 nan 8.370 nan 0.000 0.472 199 K N 2.604 122.889 120.400 -0.191 0.000 2.097 199 K HA -0.063 4.257 4.320 0.000 0.000 0.205 199 K C 1.632 178.189 176.600 -0.071 0.000 1.050 199 K CA 0.969 57.190 56.287 -0.111 0.000 0.938 199 K CB -0.286 32.157 32.500 -0.095 0.000 0.718 199 K HN 0.560 nan 8.250 nan 0.000 0.442 200 A N 1.227 124.014 122.820 -0.056 0.000 1.898 200 A HA -0.067 4.253 4.320 0.000 0.000 0.216 200 A C 2.367 179.948 177.584 -0.004 0.000 1.181 200 A CA 1.937 53.963 52.037 -0.019 0.000 0.620 200 A CB -0.500 18.503 19.000 0.005 0.000 0.819 200 A HN 0.292 nan 8.150 nan 0.000 0.442 201 A N -0.377 122.442 122.820 -0.001 0.000 1.930 201 A HA -0.144 4.176 4.320 0.000 0.000 0.217 201 A C 2.001 179.587 177.584 0.003 0.000 1.175 201 A CA 1.691 53.745 52.037 0.027 0.000 0.627 201 A CB -0.534 18.504 19.000 0.064 0.000 0.815 201 A HN 0.677 nan 8.150 nan 0.000 0.443 202 E N 0.115 120.298 120.200 -0.028 0.000 2.049 202 E HA -0.217 4.133 4.350 0.000 0.000 0.198 202 E C 2.142 178.729 176.600 -0.023 0.000 1.007 202 E CA 1.388 57.772 56.400 -0.027 0.000 0.809 202 E CB -0.294 29.379 29.700 -0.046 0.000 0.749 202 E HN 0.526 nan 8.360 nan 0.000 0.450 203 A N 1.083 123.887 122.820 -0.028 0.000 1.902 203 A HA -0.234 4.086 4.320 0.000 0.000 0.217 203 A C 2.028 179.605 177.584 -0.012 0.000 1.181 203 A CA 1.878 53.898 52.037 -0.027 0.000 0.623 203 A CB -0.698 18.286 19.000 -0.026 0.000 0.818 203 A HN 0.424 nan 8.150 nan 0.000 0.443 204 D N -0.346 120.055 120.400 0.001 0.000 2.097 204 D HA -0.160 4.480 4.640 0.000 0.000 0.195 204 D C 2.040 178.352 176.300 0.019 0.000 0.989 204 D CA 1.673 55.681 54.000 0.013 0.000 0.827 204 D CB -0.289 40.524 40.800 0.022 0.000 0.966 204 D HN 0.462 nan 8.370 nan 0.000 0.456 205 M N -0.230 119.384 119.600 0.023 0.000 2.117 205 M HA -0.141 4.339 4.480 0.000 0.000 0.262 205 M C 2.478 178.806 176.300 0.047 0.000 1.065 205 M CA 1.047 56.368 55.300 0.036 0.000 1.114 205 M CB -0.231 32.392 32.600 0.039 0.000 1.361 205 M HN 0.076 nan 8.290 nan 0.000 0.408 206 I N 0.163 120.747 120.570 0.024 0.000 2.208 206 I HA -0.280 3.890 4.170 0.000 0.000 0.245 206 I C 2.713 178.852 176.117 0.037 0.000 1.097 206 I CA 1.298 62.604 61.300 0.010 0.000 1.363 206 I CB -0.583 37.358 38.000 -0.098 0.000 1.051 206 I HN 0.267 nan 8.210 nan 0.000 0.413 207 A N -0.000 122.830 122.820 0.018 0.000 1.908 207 A HA -0.243 4.077 4.320 0.000 0.000 0.218 207 A C 2.286 179.895 177.584 0.042 0.000 1.181 207 A CA 1.429 53.482 52.037 0.026 0.000 0.627 207 A CB -0.490 18.517 19.000 0.013 0.000 0.818 207 A HN 0.408 nan 8.150 nan 0.000 0.445 208 Q N -0.406 119.420 119.800 0.043 0.000 2.084 208 Q HA -0.130 4.210 4.340 0.000 0.000 0.202 208 Q C 2.164 178.198 176.000 0.057 0.000 0.978 208 Q CA 1.511 57.339 55.803 0.042 0.000 0.844 208 Q CB -0.374 28.386 28.738 0.036 0.000 0.898 208 Q HN 0.791 nan 8.270 nan 0.000 0.426 209 I N 0.918 121.543 120.570 0.092 0.000 2.252 209 I HA -0.239 3.931 4.170 0.000 0.000 0.245 209 I C 2.245 178.433 176.117 0.119 0.000 1.102 209 I CA 0.923 62.292 61.300 0.115 0.000 1.385 209 I CB -0.215 37.915 38.000 0.216 0.000 1.064 209 I HN 0.119 nan 8.210 nan 0.000 0.414 210 E N 0.985 121.278 120.200 0.155 0.000 2.085 210 E HA -0.221 4.129 4.350 0.000 0.000 0.194 210 E C 2.324 178.964 176.600 0.066 0.000 0.994 210 E CA 1.548 58.024 56.400 0.127 0.000 0.801 210 E CB -0.302 29.461 29.700 0.105 0.000 0.743 210 E HN 0.514 nan 8.360 nan 0.000 0.453 211 A N 1.409 124.258 122.820 0.049 0.000 1.898 211 A HA -0.048 4.272 4.320 0.000 0.000 0.216 211 A C 2.426 180.022 177.584 0.020 0.000 1.181 211 A CA 1.962 54.016 52.037 0.029 0.000 0.620 211 A CB -0.536 18.478 19.000 0.024 0.000 0.819 211 A HN 0.267 nan 8.150 nan 0.000 0.442 212 A N -0.123 122.709 122.820 0.020 0.000 1.902 212 A HA -0.168 4.152 4.320 0.000 0.000 0.217 212 A C 2.134 179.716 177.584 -0.005 0.000 1.181 212 A CA 2.013 54.053 52.037 0.005 0.000 0.623 212 A CB -0.463 18.539 19.000 0.003 0.000 0.818 212 A HN 0.566 nan 8.150 nan 0.000 0.443 213 K N 0.028 120.427 120.400 -0.001 0.000 2.026 213 K HA -0.214 4.106 4.320 0.000 0.000 0.208 213 K C 2.171 178.767 176.600 -0.008 0.000 1.048 213 K CA 1.898 58.175 56.287 -0.016 0.000 0.929 213 K CB -0.220 32.272 32.500 -0.014 0.000 0.713 213 K HN 0.427 nan 8.250 nan 0.000 0.439 214 K N 0.377 120.781 120.400 0.008 0.000 2.063 214 K HA -0.169 4.151 4.320 0.000 0.000 0.208 214 K C 1.043 177.643 176.600 0.000 0.000 1.048 214 K CA 2.116 58.407 56.287 0.007 0.000 0.928 214 K CB 0.005 32.513 32.500 0.014 0.000 0.713 214 K HN 0.158 nan 8.250 nan 0.000 0.442 215 D N -0.591 119.808 120.400 -0.001 0.000 2.363 215 D HA 0.048 4.688 4.640 0.000 0.000 0.220 215 D C 0.691 176.984 176.300 -0.011 0.000 0.994 215 D CA 1.049 55.046 54.000 -0.004 0.000 0.890 215 D CB 0.320 41.119 40.800 -0.001 0.000 0.906 215 D HN 0.514 nan 8.370 nan 0.000 0.530 216 G N 1.227 110.016 108.800 -0.019 0.000 2.198 216 G HA2 -0.240 3.720 3.960 0.000 0.000 0.257 216 G HA3 -0.240 3.720 3.960 0.000 0.000 0.257 216 G C -0.073 174.804 174.900 -0.038 0.000 1.042 216 G CA 0.243 45.323 45.100 -0.034 0.000 0.791 216 G HN 0.289 nan 8.290 nan 0.000 0.502 217 D N -0.598 119.784 120.400 -0.030 0.000 2.506 217 D HA 0.813 5.453 4.640 0.000 0.000 0.254 217 D C 0.764 177.047 176.300 -0.029 0.000 1.089 217 D CA 0.663 54.648 54.000 -0.024 0.000 1.050 217 D CB 1.840 42.633 40.800 -0.012 0.000 1.221 217 D HN 0.447 nan 8.370 nan 0.000 0.589 218 T N -1.622 112.920 114.554 -0.019 0.000 2.901 218 T HA 0.756 5.106 4.350 0.000 0.000 0.293 218 T C -0.518 174.178 174.700 -0.007 0.000 1.084 218 T CA -0.789 61.301 62.100 -0.017 0.000 1.008 218 T CB 1.116 69.977 68.868 -0.011 0.000 1.170 218 T HN 0.257 nan 8.240 nan 0.000 0.509 219 L N 0.428 121.648 121.223 -0.006 0.000 2.371 219 L HA 0.808 5.148 4.340 0.000 0.000 0.262 219 L C 0.652 177.522 176.870 -0.001 0.000 1.006 219 L CA -1.073 53.767 54.840 -0.001 0.000 0.818 219 L CB 2.357 44.419 42.059 0.005 0.000 1.354 219 L HN 1.045 nan 8.230 nan 0.000 0.415 220 G N -0.426 108.372 108.800 -0.003 0.000 2.971 220 G HA2 0.873 4.833 3.960 0.000 0.000 0.235 220 G HA3 0.873 4.833 3.960 0.000 0.000 0.235 220 G C -0.688 174.211 174.900 -0.001 0.000 1.351 220 G CA -0.279 44.818 45.100 -0.005 0.000 1.039 220 G HN 0.912 nan 8.290 nan 0.000 0.563 221 G N -2.792 106.005 108.800 -0.005 0.000 2.342 221 G HA2 0.523 4.483 3.960 0.000 0.000 0.297 221 G HA3 0.523 4.483 3.960 0.000 0.000 0.297 221 G C -2.090 172.805 174.900 -0.008 0.000 1.313 221 G CA -0.187 44.912 45.100 -0.002 0.000 0.830 221 G HN 1.101 nan 8.290 nan 0.000 0.506 222 V N 0.313 120.222 119.914 -0.009 0.000 2.540 222 V HA 0.768 4.888 4.120 0.000 0.000 0.302 222 V C 0.239 176.314 176.094 -0.031 0.000 1.035 222 V CA -0.576 61.714 62.300 -0.016 0.000 0.873 222 V CB 1.214 33.029 31.823 -0.014 0.000 0.992 222 V HN 1.447 nan 8.190 nan 0.000 0.428 223 V N 1.417 121.307 119.914 -0.040 0.000 2.914 223 V HA 0.808 4.928 4.120 0.000 0.000 0.314 223 V C -0.731 175.312 176.094 -0.085 0.000 1.084 223 V CA -0.676 61.581 62.300 -0.071 0.000 0.963 223 V CB 2.073 33.874 31.823 -0.036 0.000 1.025 223 V HN 0.963 nan 8.190 nan 0.000 0.432 224 E N 1.984 122.089 120.200 -0.159 0.000 2.218 224 E HA 0.740 5.090 4.350 0.000 0.000 0.263 224 E C -0.544 176.066 176.600 0.016 0.000 0.879 224 E CA -0.779 55.571 56.400 -0.084 0.000 0.762 224 E CB 1.898 31.521 29.700 -0.128 0.000 1.166 224 E HN 1.274 nan 8.360 nan 0.000 0.415 225 A N 3.425 126.271 122.820 0.043 0.000 2.310 225 A HA 0.586 4.906 4.320 0.000 0.000 0.299 225 A C -0.797 176.832 177.584 0.074 0.000 1.147 225 A CA -0.532 51.541 52.037 0.059 0.000 0.818 225 A CB 1.126 20.145 19.000 0.033 0.000 1.096 225 A HN 0.398 nan 8.150 nan 0.000 0.495 226 V N 1.236 121.193 119.914 0.070 0.000 2.531 226 V HA 0.696 4.816 4.120 0.000 0.000 0.301 226 V C 0.173 176.282 176.094 0.026 0.000 1.034 226 V CA -0.300 62.032 62.300 0.052 0.000 0.865 226 V CB 1.505 33.352 31.823 0.039 0.000 0.995 226 V HN 1.230 nan 8.190 nan 0.000 0.424 227 A N 6.026 128.862 122.820 0.026 0.000 2.319 227 A HA 0.905 5.225 4.320 0.000 0.000 0.310 227 A C -0.977 176.618 177.584 0.019 0.000 1.152 227 A CA -0.448 51.601 52.037 0.020 0.000 0.783 227 A CB 0.791 19.808 19.000 0.028 0.000 1.184 227 A HN 0.791 nan 8.150 nan 0.000 0.474 228 L N 1.747 122.975 121.223 0.008 0.000 2.334 228 L HA 0.712 5.052 4.340 0.000 0.000 0.276 228 L C 1.207 178.081 176.870 0.007 0.000 1.014 228 L CA 0.106 54.949 54.840 0.005 0.000 0.815 228 L CB 1.885 43.938 42.059 -0.009 0.000 1.268 228 L HN 1.215 nan 8.230 nan 0.000 0.428 229 G N 2.288 111.095 108.800 0.013 0.000 2.141 229 G HA2 -0.220 3.740 3.960 0.000 0.000 0.231 229 G HA3 -0.220 3.740 3.960 0.000 0.000 0.231 229 G C -0.093 174.823 174.900 0.027 0.000 0.984 229 G CA -0.493 44.614 45.100 0.011 0.000 0.660 229 G HN 0.383 nan 8.290 nan 0.000 0.525 230 L N 2.354 123.604 121.223 0.044 0.000 2.426 230 L HA 0.382 4.722 4.340 0.000 0.000 0.271 230 L C -0.765 176.164 176.870 0.098 0.000 1.169 230 L CA -1.603 53.281 54.840 0.072 0.000 0.836 230 L CB 0.420 42.526 42.059 0.078 0.000 1.112 230 L HN 0.068 nan 8.230 nan 0.000 0.465 231 P HA 0.104 nan 4.420 nan 0.000 0.274 231 P C -0.694 176.733 177.300 0.212 0.000 1.237 231 P CA -0.418 62.808 63.100 0.210 0.000 0.793 231 P CB 0.934 32.840 31.700 0.343 0.000 0.977 232 V N 0.978 121.028 119.914 0.227 0.000 2.637 232 V HA 0.375 4.495 4.120 0.000 0.000 0.296 232 V C 1.591 177.837 176.094 0.253 0.000 1.046 232 V CA 1.433 63.854 62.300 0.201 0.000 1.066 232 V CB -0.267 31.656 31.823 0.166 0.000 0.968 232 V HN 1.093 nan 8.190 nan 0.000 0.483 233 G N 3.860 112.751 108.800 0.151 0.000 2.138 233 G HA2 -0.165 3.795 3.960 0.000 0.000 0.193 233 G HA3 -0.165 3.795 3.960 0.000 0.000 0.193 233 G C -0.221 174.659 174.900 -0.033 0.000 0.998 233 G CA -0.317 44.835 45.100 0.087 0.000 0.668 233 G HN 0.551 nan 8.290 nan 0.000 0.516 234 L N 0.486 121.708 121.223 -0.002 0.000 2.395 234 L HA 0.594 4.934 4.340 0.000 0.000 0.269 234 L C 1.396 178.259 176.870 -0.012 0.000 1.133 234 L CA 0.493 55.309 54.840 -0.040 0.000 0.812 234 L CB 0.931 43.002 42.059 0.020 0.000 1.125 234 L HN 1.175 nan 8.230 nan 0.000 0.452 235 G N 1.899 110.678 108.800 -0.035 0.000 2.796 235 G HA2 -0.095 3.865 3.960 0.000 0.000 0.571 235 G HA3 -0.095 3.865 3.960 0.000 0.000 0.571 235 G C -0.674 174.199 174.900 -0.046 0.000 1.370 235 G CA -0.174 44.920 45.100 -0.011 0.000 0.856 235 G HN 0.815 nan 8.290 nan 0.000 0.538 236 S N -1.877 113.804 115.700 -0.032 0.000 2.596 236 S HA 0.705 5.175 4.470 0.000 0.000 0.270 236 S C 0.462 175.038 174.600 -0.039 0.000 1.155 236 S CA 0.403 58.527 58.200 -0.128 0.000 0.827 236 S CB 1.087 64.090 63.200 -0.327 0.000 1.130 236 S HN 1.798 nan 8.310 nan 0.000 0.467 237 F N 0.544 120.509 119.950 0.024 0.000 2.765 237 F HA 0.249 4.776 4.527 -0.000 0.000 0.302 237 F C 1.964 177.787 175.800 0.039 0.000 1.111 237 F CA 0.576 58.593 58.000 0.027 0.000 1.359 237 F CB -1.202 37.804 39.000 0.011 0.000 1.097 237 F HN 0.544 nan 8.300 nan 0.000 0.577 238 T N -2.032 112.300 114.554 -0.371 0.000 2.995 238 T HA 0.136 4.487 4.350 0.000 0.000 0.269 238 T C 0.747 175.467 174.700 0.034 0.000 1.091 238 T CA 0.676 62.662 62.100 -0.190 0.000 1.128 238 T CB -0.647 68.041 68.868 -0.299 0.000 0.891 238 T HN 0.464 nan 8.240 nan 0.000 0.492 239 S N -1.680 114.064 115.700 0.074 0.000 2.615 239 S HA 0.628 5.098 4.470 0.000 0.000 0.269 239 S C 1.153 175.735 174.600 -0.031 0.000 1.161 239 S CA -0.384 57.825 58.200 0.014 0.000 0.817 239 S CB 1.062 64.233 63.200 -0.048 0.000 1.131 239 S HN 0.166 nan 8.310 nan 0.000 0.467 240 G N 1.299 110.066 108.800 -0.055 0.000 2.440 240 G HA2 -0.188 3.772 3.960 0.000 0.000 0.218 240 G HA3 -0.188 3.772 3.960 0.000 0.000 0.218 240 G C 1.036 175.884 174.900 -0.087 0.000 1.154 240 G CA 1.295 46.367 45.100 -0.047 0.000 0.767 240 G HN 0.964 nan 8.290 nan 0.000 0.552 241 D N -0.046 120.239 120.400 -0.192 0.000 2.219 241 D HA -0.124 4.516 4.640 0.000 0.000 0.205 241 D C 1.540 177.711 176.300 -0.214 0.000 0.970 241 D CA 0.828 54.688 54.000 -0.233 0.000 0.851 241 D CB -0.636 39.971 40.800 -0.321 0.000 0.943 241 D HN 0.358 nan 8.370 nan 0.000 0.488 242 H N 0.612 119.660 119.070 -0.038 0.000 2.548 242 H HA 0.191 4.747 4.556 0.000 0.000 0.268 242 H C 0.543 175.850 175.328 -0.035 0.000 0.975 242 H CA 0.069 56.085 56.048 -0.052 0.000 1.195 242 H CB 0.076 29.781 29.762 -0.095 0.000 1.397 242 H HN 0.114 nan 8.280 nan 0.000 0.572 243 R N 1.255 121.799 120.500 0.073 0.000 2.484 243 R HA -0.015 4.325 4.340 0.000 0.000 0.293 243 R C 1.317 177.650 176.300 0.055 0.000 1.023 243 R CA -0.116 56.021 56.100 0.062 0.000 1.037 243 R CB 0.963 31.293 30.300 0.050 0.000 0.951 243 R HN 0.224 nan 8.270 nan 0.000 0.418 244 L N 2.735 123.993 121.223 0.058 0.000 2.131 244 L HA -0.228 4.112 4.340 0.000 0.000 0.210 244 L C 1.519 178.421 176.870 0.054 0.000 1.092 244 L CA 1.544 56.418 54.840 0.057 0.000 0.759 244 L CB -0.231 41.862 42.059 0.056 0.000 0.903 244 L HN 0.720 nan 8.230 nan 0.000 0.435 245 D N -1.920 118.509 120.400 0.048 0.000 2.144 245 D HA -0.212 4.428 4.640 0.000 0.000 0.199 245 D C 2.125 178.448 176.300 0.039 0.000 0.984 245 D CA 1.299 55.324 54.000 0.042 0.000 0.834 245 D CB -0.472 40.349 40.800 0.035 0.000 0.955 245 D HN 0.140 nan 8.370 nan 0.000 0.465 246 S N 0.012 115.732 115.700 0.033 0.000 2.353 246 S HA -0.255 4.215 4.470 0.000 0.000 0.222 246 S C 1.990 176.611 174.600 0.036 0.000 1.035 246 S CA 1.545 59.761 58.200 0.025 0.000 1.025 246 S CB -0.260 62.945 63.200 0.009 0.000 0.902 246 S HN 0.331 nan 8.310 nan 0.000 0.440 247 Q N 0.154 119.982 119.800 0.047 0.000 2.084 247 Q HA -0.033 4.307 4.340 0.000 0.000 0.202 247 Q C 2.363 178.413 176.000 0.084 0.000 0.978 247 Q CA 1.581 57.425 55.803 0.068 0.000 0.844 247 Q CB -0.309 28.478 28.738 0.082 0.000 0.898 247 Q HN 0.516 nan 8.270 nan 0.000 0.426 248 L N 0.133 121.399 121.223 0.072 0.000 2.056 248 L HA -0.168 4.173 4.340 0.000 0.000 0.207 248 L C 2.529 179.436 176.870 0.062 0.000 1.078 248 L CA 0.934 55.814 54.840 0.067 0.000 0.749 248 L CB -0.585 41.508 42.059 0.056 0.000 0.901 248 L HN 0.210 nan 8.230 nan 0.000 0.433 249 A N 0.074 122.926 122.820 0.055 0.000 1.902 249 A HA -0.201 4.119 4.320 0.000 0.000 0.217 249 A C 2.539 180.156 177.584 0.055 0.000 1.181 249 A CA 1.827 53.895 52.037 0.052 0.000 0.623 249 A CB -0.751 18.276 19.000 0.045 0.000 0.818 249 A HN 0.404 nan 8.150 nan 0.000 0.443 250 A N -0.141 122.714 122.820 0.058 0.000 1.877 250 A HA 0.133 4.453 4.320 0.000 0.000 0.216 250 A C 2.529 180.163 177.584 0.082 0.000 1.186 250 A CA 2.271 54.345 52.037 0.061 0.000 0.620 250 A CB -1.088 17.947 19.000 0.058 0.000 0.822 250 A HN 1.102 nan 8.150 nan 0.000 0.443 251 A N -0.890 121.993 122.820 0.104 0.000 1.930 251 A HA 0.061 4.381 4.320 0.000 0.000 0.217 251 A C 2.202 179.834 177.584 0.079 0.000 1.175 251 A CA 1.822 53.935 52.037 0.127 0.000 0.627 251 A CB -0.683 18.404 19.000 0.145 0.000 0.815 251 A HN 0.391 nan 8.150 nan 0.000 0.443 252 V N -0.534 119.416 119.914 0.060 0.000 2.446 252 V HA -0.147 3.973 4.120 0.000 0.000 0.244 252 V C 2.521 178.640 176.094 0.042 0.000 1.039 252 V CA 1.470 63.795 62.300 0.042 0.000 1.045 252 V CB -0.523 31.322 31.823 0.038 0.000 0.681 252 V HN 0.456 nan 8.190 nan 0.000 0.459 253 M N 0.685 120.313 119.600 0.046 0.000 2.279 253 M HA -0.036 4.444 4.480 0.000 0.000 0.264 253 M C 2.126 178.450 176.300 0.040 0.000 1.062 253 M CA 1.649 56.974 55.300 0.041 0.000 1.099 253 M CB -1.411 31.215 32.600 0.043 0.000 1.394 253 M HN 0.454 nan 8.290 nan 0.000 0.426 254 G N -0.111 108.719 108.800 0.049 0.000 2.679 254 G HA2 0.061 4.021 3.960 0.000 0.000 0.212 254 G HA3 0.061 4.021 3.960 0.000 0.000 0.212 254 G C 0.750 175.678 174.900 0.047 0.000 1.137 254 G CA -0.192 44.940 45.100 0.053 0.000 0.787 254 G HN 0.366 nan 8.290 nan 0.000 0.534 255 I N 0.881 121.474 120.570 0.038 0.000 2.529 255 I HA 0.093 4.263 4.170 0.000 0.000 0.284 255 I C 0.170 176.299 176.117 0.020 0.000 1.082 255 I CA -0.695 60.621 61.300 0.028 0.000 1.406 255 I CB 1.042 39.054 38.000 0.020 0.000 1.405 255 I HN 0.009 nan 8.210 nan 0.000 0.548 256 Q N 4.768 124.579 119.800 0.019 0.000 2.283 256 Q HA 0.157 4.497 4.340 0.000 0.000 0.301 256 Q C 0.864 176.864 176.000 -0.001 0.000 1.063 256 Q CA 1.172 56.982 55.803 0.013 0.000 0.952 256 Q CB 0.300 29.050 28.738 0.021 0.000 1.166 256 Q HN 0.830 nan 8.270 nan 0.000 0.381 257 A N 1.799 124.608 122.820 -0.020 0.000 3.396 257 A HA -0.184 4.136 4.320 0.000 0.000 0.267 257 A C 0.101 177.671 177.584 -0.022 0.000 1.139 257 A CA 0.533 52.548 52.037 -0.037 0.000 1.115 257 A CB -1.790 17.189 19.000 -0.036 0.000 1.133 257 A HN 0.520 nan 8.150 nan 0.000 0.920 258 I N 0.215 120.780 120.570 -0.007 0.000 2.441 258 I HA 0.284 4.454 4.170 0.000 0.000 0.287 258 I C 1.134 177.251 176.117 -0.001 0.000 1.049 258 I CA 0.318 61.618 61.300 -0.001 0.000 1.381 258 I CB 1.148 39.154 38.000 0.011 0.000 1.409 258 I HN 0.159 nan 8.210 nan 0.000 0.523 259 K N 3.875 124.272 120.400 -0.005 0.000 2.438 259 K HA 0.361 4.681 4.320 0.000 0.000 0.206 259 K C 0.426 177.026 176.600 -0.001 0.000 1.081 259 K CA 0.039 56.322 56.287 -0.007 0.000 1.053 259 K CB 1.740 34.226 32.500 -0.023 0.000 0.908 259 K HN 0.790 nan 8.250 nan 0.000 0.556 260 G N 0.254 109.060 108.800 0.009 0.000 2.703 260 G HA2 0.518 4.478 3.960 0.000 0.000 0.294 260 G HA3 0.518 4.478 3.960 0.000 0.000 0.294 260 G C -1.612 173.325 174.900 0.062 0.000 1.451 260 G CA -0.379 44.741 45.100 0.035 0.000 0.869 260 G HN -0.142 nan 8.290 nan 0.000 0.516 261 V N 0.587 120.568 119.914 0.113 0.000 2.808 261 V HA 0.637 4.757 4.120 0.000 0.000 0.308 261 V C -0.590 175.594 176.094 0.150 0.000 1.099 261 V CA -0.803 61.558 62.300 0.102 0.000 0.920 261 V CB 2.084 33.952 31.823 0.076 0.000 1.014 261 V HN 0.850 nan 8.190 nan 0.000 0.425 262 E N 3.554 123.828 120.200 0.123 0.000 2.317 262 E HA 0.608 4.958 4.350 0.000 0.000 0.270 262 E C -1.545 175.097 176.600 0.069 0.000 0.885 262 E CA -0.890 55.580 56.400 0.116 0.000 0.760 262 E CB 2.729 32.520 29.700 0.151 0.000 1.227 262 E HN 0.381 nan 8.360 nan 0.000 0.434 263 I N 2.338 122.934 120.570 0.044 0.000 2.354 263 I HA 0.331 4.502 4.170 0.000 0.000 0.292 263 I C 1.135 177.273 176.117 0.036 0.000 0.989 263 I CA 0.213 61.537 61.300 0.039 0.000 1.188 263 I CB 0.208 38.226 38.000 0.031 0.000 1.342 263 I HN 0.865 nan 8.210 nan 0.000 0.457 264 G N 7.088 115.914 108.800 0.043 0.000 2.596 264 G HA2 -0.304 3.656 3.960 0.000 0.000 0.295 264 G HA3 -0.304 3.656 3.960 0.000 0.000 0.295 264 G C 0.462 175.385 174.900 0.039 0.000 1.240 264 G CA 0.428 45.552 45.100 0.040 0.000 0.985 264 G HN 0.548 nan 8.290 nan 0.000 0.555 265 D N 2.602 123.018 120.400 0.026 0.000 2.363 265 D HA 0.317 4.957 4.640 0.000 0.000 0.226 265 D C 1.996 178.316 176.300 0.034 0.000 1.020 265 D CA 2.159 56.174 54.000 0.025 0.000 0.892 265 D CB -0.562 40.241 40.800 0.006 0.000 0.900 265 D HN 1.321 nan 8.370 nan 0.000 0.531 266 G N 1.355 110.168 108.800 0.022 0.000 2.685 266 G HA2 -0.424 3.536 3.960 0.000 0.000 0.329 266 G HA3 -0.424 3.536 3.960 0.000 0.000 0.329 266 G C 1.042 175.923 174.900 -0.032 0.000 1.271 266 G CA 0.514 45.621 45.100 0.013 0.000 1.003 266 G HN 0.295 nan 8.290 nan 0.000 0.549 267 F N 1.007 120.957 119.950 0.000 0.000 2.269 267 F HA 0.010 4.537 4.527 0.000 0.000 0.301 267 F C 2.914 178.710 175.800 -0.007 0.000 1.082 267 F CA 2.116 60.115 58.000 -0.001 0.000 1.360 267 F CB -0.275 38.725 39.000 -0.000 0.000 1.041 267 F HN 0.410 nan 8.300 nan 0.000 0.512 268 Q N 0.195 120.074 119.800 0.132 0.000 2.172 268 Q HA -0.117 4.223 4.340 0.000 0.000 0.200 268 Q C 2.031 178.038 176.000 0.012 0.000 0.964 268 Q CA 2.078 57.919 55.803 0.063 0.000 0.855 268 Q CB -0.736 28.029 28.738 0.044 0.000 0.918 268 Q HN 0.273 nan 8.270 nan 0.000 0.444 269 T N 0.272 114.818 114.554 -0.014 0.000 2.737 269 T HA -0.171 4.179 4.350 0.000 0.000 0.269 269 T C 1.598 176.261 174.700 -0.061 0.000 1.040 269 T CA 1.367 63.432 62.100 -0.057 0.000 1.142 269 T CB -0.521 68.305 68.868 -0.070 0.000 0.861 269 T HN 0.464 nan 8.240 nan 0.000 0.456 270 A N 1.185 123.972 122.820 -0.054 0.000 2.172 270 A HA -0.025 4.295 4.320 0.000 0.000 0.216 270 A C 2.182 179.757 177.584 -0.014 0.000 1.154 270 A CA 0.900 52.909 52.037 -0.047 0.000 0.701 270 A CB -0.308 18.652 19.000 -0.067 0.000 0.789 270 A HN 0.421 nan 8.150 nan 0.000 0.465 271 R N -0.973 119.525 120.500 -0.003 0.000 2.362 271 R HA 0.183 4.523 4.340 0.000 0.000 0.227 271 R C 0.019 176.313 176.300 -0.010 0.000 0.905 271 R CA -0.094 56.008 56.100 0.005 0.000 1.067 271 R CB 0.371 30.684 30.300 0.020 0.000 1.078 271 R HN 0.355 nan 8.270 nan 0.000 0.516 272 R N 0.692 121.174 120.500 -0.030 0.000 2.668 272 R HA 0.357 4.697 4.340 0.000 0.000 0.279 272 R C -0.097 176.176 176.300 -0.046 0.000 0.976 272 R CA -0.763 55.312 56.100 -0.042 0.000 0.978 272 R CB 1.573 31.833 30.300 -0.067 0.000 1.133 272 R HN -0.096 nan 8.270 nan 0.000 0.484 273 R N -0.203 120.275 120.500 -0.037 0.000 2.582 273 R HA 0.073 4.413 4.340 0.000 0.000 0.271 273 R C 1.458 177.733 176.300 -0.042 0.000 1.078 273 R CA 0.203 56.288 56.100 -0.025 0.000 1.127 273 R CB 0.607 30.901 30.300 -0.010 0.000 1.038 273 R HN 0.882 nan 8.270 nan 0.000 0.500 274 G N 0.257 109.056 108.800 -0.002 0.000 2.450 274 G HA2 -0.307 3.653 3.960 0.000 0.000 0.220 274 G HA3 -0.307 3.653 3.960 0.000 0.000 0.220 274 G C 1.353 176.288 174.900 0.059 0.000 1.130 274 G CA 1.112 46.242 45.100 0.050 0.000 0.760 274 G HN 0.677 nan 8.290 nan 0.000 0.557 275 S N -0.221 115.499 115.700 0.033 0.000 2.469 275 S HA -0.001 4.469 4.470 0.000 0.000 0.238 275 S C 1.879 176.489 174.600 0.015 0.000 0.998 275 S CA 0.920 59.140 58.200 0.033 0.000 0.957 275 S CB -0.062 63.151 63.200 0.023 0.000 0.764 275 S HN 0.463 nan 8.310 nan 0.000 0.514 276 R N -0.552 119.934 120.500 -0.024 0.000 2.572 276 R HA 0.449 4.789 4.340 0.000 0.000 0.370 276 R C 1.379 177.621 176.300 -0.098 0.000 1.005 276 R CA 0.540 56.618 56.100 -0.036 0.000 1.146 276 R CB 0.520 30.805 30.300 -0.025 0.000 1.390 276 R HN 0.441 nan 8.270 nan 0.000 0.553 277 A N 0.125 122.813 122.820 -0.220 0.000 2.115 277 A HA 0.144 4.464 4.320 0.000 0.000 0.211 277 A C 0.476 177.762 177.584 -0.496 0.000 1.169 277 A CA 0.536 52.322 52.037 -0.419 0.000 0.787 277 A CB 0.173 18.802 19.000 -0.619 0.000 0.858 277 A HN 0.119 nan 8.150 nan 0.000 0.474 278 H N -0.191 118.880 119.070 0.002 0.000 2.754 278 H HA 0.400 4.956 4.556 0.000 0.000 0.352 278 H C -1.386 173.945 175.328 0.006 0.000 1.213 278 H CA -0.954 55.093 56.048 -0.001 0.000 1.244 278 H CB 0.773 30.527 29.762 -0.012 0.000 1.843 278 H HN 0.166 nan 8.280 nan 0.000 0.587 279 D N 1.499 121.985 120.400 0.143 0.000 2.427 279 D HA 0.167 4.808 4.640 0.000 0.000 0.226 279 D C 0.041 176.363 176.300 0.037 0.000 1.076 279 D CA -0.307 53.743 54.000 0.084 0.000 0.849 279 D CB 1.288 42.131 40.800 0.071 0.000 1.052 279 D HN 0.408 nan 8.370 nan 0.000 0.515 280 E N 1.404 121.615 120.200 0.019 0.000 2.408 280 E HA 0.222 4.572 4.350 0.000 0.000 0.259 280 E C 0.122 176.540 176.600 -0.303 0.000 1.110 280 E CA 0.085 56.395 56.400 -0.150 0.000 0.929 280 E CB 1.112 30.718 29.700 -0.157 0.000 0.971 280 E HN 0.287 nan 8.360 nan 0.000 0.438 281 M N 1.739 121.041 119.600 -0.497 0.000 2.508 281 M HA 0.410 4.890 4.480 0.000 0.000 0.327 281 M C -1.331 174.531 176.300 -0.729 0.000 1.160 281 M CA -0.519 54.533 55.300 -0.414 0.000 0.980 281 M CB 1.130 33.615 32.600 -0.191 0.000 1.693 281 M HN 0.426 nan 8.290 nan 0.000 0.452 282 Y N 0.466 120.770 120.300 0.007 0.000 2.553 282 Y HA 0.534 5.084 4.550 -0.000 0.000 0.347 282 Y C -2.375 173.527 175.900 0.003 0.000 1.019 282 Y CA -2.458 55.645 58.100 0.005 0.000 1.032 282 Y CB 0.897 39.361 38.460 0.006 0.000 1.284 282 Y HN 0.447 nan 8.280 nan 0.000 0.466 283 P HA 0.312 nan 4.420 nan 0.000 0.269 283 P C -0.252 177.097 177.300 0.080 0.000 1.215 283 P CA 0.065 63.216 63.100 0.085 0.000 0.780 283 P CB 0.744 32.483 31.700 0.066 0.000 0.898 284 G N 1.411 110.241 108.800 0.050 0.000 2.684 284 G HA2 0.455 4.415 3.960 0.000 0.000 0.290 284 G HA3 0.455 4.415 3.960 0.000 0.000 0.290 284 G C -2.213 172.700 174.900 0.022 0.000 1.425 284 G CA -0.916 44.207 45.100 0.038 0.000 0.822 284 G HN 0.186 nan 8.290 nan 0.000 0.482 285 P HA -0.022 nan 4.420 nan 0.000 0.213 285 P C 0.049 177.352 177.300 0.005 0.000 1.170 285 P CA 1.227 64.332 63.100 0.008 0.000 0.902 285 P CB 0.286 31.989 31.700 0.006 0.000 0.789 286 D N -0.086 120.317 120.400 0.005 0.000 3.035 286 D HA 0.429 5.069 4.640 0.000 0.000 0.290 286 D C 0.860 177.161 176.300 0.001 0.000 1.360 286 D CA 0.132 54.132 54.000 -0.000 0.000 0.862 286 D CB 0.639 41.437 40.800 -0.003 0.000 1.078 286 D HN 0.280 nan 8.370 nan 0.000 0.487 287 G N -0.501 108.303 108.800 0.006 0.000 2.423 287 G HA2 -0.147 3.813 3.960 0.000 0.000 0.684 287 G HA3 -0.147 3.813 3.960 0.000 0.000 0.684 287 G C -0.521 174.390 174.900 0.020 0.000 1.309 287 G CA -1.080 44.024 45.100 0.007 0.000 0.950 287 G HN 0.082 nan 8.290 nan 0.000 0.587 288 V N 0.104 120.028 119.914 0.018 0.000 2.694 288 V HA 0.373 4.493 4.120 0.000 0.000 0.306 288 V C 1.343 177.465 176.094 0.046 0.000 1.054 288 V CA 0.750 63.066 62.300 0.027 0.000 1.161 288 V CB 0.720 32.547 31.823 0.006 0.000 0.916 288 V HN 1.743 nan 8.190 nan 0.000 0.490 289 V N 3.629 123.592 119.914 0.081 0.000 3.074 289 V HA 0.816 4.936 4.120 0.000 0.000 0.314 289 V C -0.515 175.677 176.094 0.163 0.000 1.117 289 V CA -1.188 61.173 62.300 0.102 0.000 1.014 289 V CB 2.286 34.166 31.823 0.096 0.000 1.057 289 V HN 0.828 nan 8.190 nan 0.000 0.438 290 R N 0.863 121.453 120.500 0.149 0.000 2.837 290 R HA 0.633 4.973 4.340 0.000 0.000 0.271 290 R C 0.443 176.839 176.300 0.159 0.000 0.993 290 R CA -0.046 56.169 56.100 0.192 0.000 0.931 290 R CB 2.197 32.563 30.300 0.110 0.000 1.206 290 R HN 0.935 nan 8.270 nan 0.000 0.474 291 S N -1.532 114.279 115.700 0.184 0.000 2.512 291 S HA 0.031 4.501 4.470 0.000 0.000 0.216 291 S C 0.651 175.296 174.600 0.076 0.000 1.006 291 S CA 0.028 58.283 58.200 0.092 0.000 0.915 291 S CB 0.259 63.486 63.200 0.044 0.000 0.824 291 S HN 0.706 nan 8.310 nan 0.000 0.497 292 T N -0.153 114.456 114.554 0.091 0.000 2.916 292 T HA 0.635 4.985 4.350 0.000 0.000 0.292 292 T C -0.896 173.840 174.700 0.061 0.000 1.064 292 T CA -0.779 61.360 62.100 0.065 0.000 1.011 292 T CB 1.662 70.566 68.868 0.061 0.000 1.152 292 T HN 0.020 nan 8.240 nan 0.000 0.510 293 N N -0.645 118.084 118.700 0.048 0.000 2.646 293 N HA 0.272 5.012 4.740 0.000 0.000 0.303 293 N C 0.938 176.472 175.510 0.040 0.000 1.921 293 N CA -0.580 52.498 53.050 0.047 0.000 0.872 293 N CB 0.252 38.767 38.487 0.046 0.000 1.327 293 N HN 0.591 nan 8.380 nan 0.000 0.492 294 R N -0.304 120.217 120.500 0.035 0.000 2.120 294 R HA 0.025 4.365 4.340 0.000 0.000 0.234 294 R C 1.675 177.991 176.300 0.027 0.000 1.123 294 R CA 1.527 57.639 56.100 0.020 0.000 0.975 294 R CB -0.014 30.285 30.300 -0.002 0.000 0.866 294 R HN 0.298 nan 8.270 nan 0.000 0.446 295 A N 0.551 123.398 122.820 0.045 0.000 2.119 295 A HA 0.095 4.415 4.320 0.000 0.000 0.217 295 A C 1.548 179.159 177.584 0.045 0.000 1.153 295 A CA 0.874 52.942 52.037 0.052 0.000 0.692 295 A CB -0.478 18.562 19.000 0.066 0.000 0.799 295 A HN 0.450 nan 8.150 nan 0.000 0.458 296 G N -1.915 106.912 108.800 0.045 0.000 2.273 296 G HA2 0.136 4.096 3.960 0.000 0.000 0.280 296 G HA3 0.136 4.096 3.960 0.000 0.000 0.280 296 G C 1.431 176.360 174.900 0.048 0.000 1.047 296 G CA 0.869 45.997 45.100 0.047 0.000 0.869 296 G HN 2.084 nan 8.290 nan 0.000 0.502 297 G N -2.128 106.702 108.800 0.049 0.000 2.159 297 G HA2 -0.175 3.785 3.960 0.000 0.000 0.256 297 G HA3 -0.175 3.785 3.960 0.000 0.000 0.256 297 G C 0.225 175.158 174.900 0.054 0.000 0.977 297 G CA 0.628 45.758 45.100 0.051 0.000 0.652 297 G HN 1.484 nan 8.290 nan 0.000 0.531 298 L N -0.004 121.250 121.223 0.052 0.000 2.385 298 L HA 0.733 5.073 4.340 0.000 0.000 0.273 298 L C -0.348 176.553 176.870 0.051 0.000 0.990 298 L CA -0.766 54.106 54.840 0.054 0.000 0.821 298 L CB 2.153 44.243 42.059 0.052 0.000 1.279 298 L HN 0.144 nan 8.230 nan 0.000 0.412 299 E N 1.168 121.399 120.200 0.051 0.000 2.292 299 E HA 0.421 4.771 4.350 0.000 0.000 0.272 299 E C 0.251 176.880 176.600 0.049 0.000 0.881 299 E CA -0.432 55.992 56.400 0.040 0.000 0.754 299 E CB 2.150 31.863 29.700 0.023 0.000 1.201 299 E HN 0.815 nan 8.360 nan 0.000 0.425 300 G N 1.898 110.724 108.800 0.043 0.000 2.258 300 G HA2 -0.270 3.690 3.960 0.000 0.000 0.274 300 G HA3 -0.270 3.690 3.960 0.000 0.000 0.274 300 G C 0.890 175.864 174.900 0.123 0.000 1.021 300 G CA 0.824 45.965 45.100 0.068 0.000 0.798 300 G HN 1.259 nan 8.290 nan 0.000 0.507 301 G N -2.346 106.509 108.800 0.091 0.000 2.157 301 G HA2 -0.177 3.783 3.960 0.000 0.000 0.248 301 G HA3 -0.177 3.783 3.960 0.000 0.000 0.248 301 G C 0.177 175.128 174.900 0.085 0.000 0.979 301 G CA 0.991 46.145 45.100 0.089 0.000 0.650 301 G HN 1.145 nan 8.290 nan 0.000 0.529 302 M N 1.226 120.880 119.600 0.091 0.000 2.591 302 M HA 0.489 4.969 4.480 0.000 0.000 0.306 302 M C 0.742 177.087 176.300 0.074 0.000 1.190 302 M CA -0.411 54.939 55.300 0.083 0.000 0.889 302 M CB 2.076 34.742 32.600 0.111 0.000 1.728 302 M HN 0.317 nan 8.290 nan 0.000 0.458 303 T N -0.780 113.818 114.554 0.072 0.000 2.928 303 T HA 0.117 4.467 4.350 0.000 0.000 0.305 303 T C 0.469 175.218 174.700 0.082 0.000 1.035 303 T CA -0.409 61.736 62.100 0.076 0.000 1.145 303 T CB 0.076 68.995 68.868 0.084 0.000 0.963 303 T HN 0.825 nan 8.240 nan 0.000 0.545 304 N N 1.042 119.785 118.700 0.072 0.000 2.177 304 N HA 0.261 5.001 4.740 0.000 0.000 0.218 304 N C 1.340 176.888 175.510 0.063 0.000 1.182 304 N CA 0.180 53.269 53.050 0.066 0.000 0.882 304 N CB 0.220 38.738 38.487 0.051 0.000 1.052 304 N HN 1.115 nan 8.380 nan 0.000 0.519 305 G N -0.507 108.334 108.800 0.069 0.000 2.254 305 G HA2 -0.248 3.712 3.960 0.000 0.000 0.225 305 G HA3 -0.248 3.712 3.960 0.000 0.000 0.225 305 G C -0.125 174.806 174.900 0.052 0.000 1.003 305 G CA -0.139 44.998 45.100 0.062 0.000 0.622 305 G HN 0.361 nan 8.290 nan 0.000 0.507 306 Q N 1.068 120.898 119.800 0.050 0.000 2.317 306 Q HA 0.407 4.747 4.340 0.000 0.000 0.229 306 Q C -2.379 173.647 176.000 0.043 0.000 0.984 306 Q CA -1.490 54.340 55.803 0.045 0.000 0.911 306 Q CB 0.433 29.200 28.738 0.047 0.000 1.217 306 Q HN 0.201 nan 8.270 nan 0.000 0.501 307 P HA -0.045 nan 4.420 nan 0.000 0.265 307 P C -0.593 176.733 177.300 0.042 0.000 1.193 307 P CA -0.081 63.040 63.100 0.035 0.000 0.765 307 P CB 0.241 31.958 31.700 0.028 0.000 0.823 308 L N 5.114 126.363 121.223 0.043 0.000 2.319 308 L HA 0.280 4.620 4.340 0.000 0.000 0.280 308 L C 0.009 176.909 176.870 0.049 0.000 1.099 308 L CA 0.412 55.280 54.840 0.047 0.000 0.828 308 L CB -0.006 42.081 42.059 0.047 0.000 1.150 308 L HN 0.279 nan 8.230 nan 0.000 0.442 309 R N 4.763 125.295 120.500 0.053 0.000 2.451 309 R HA 0.631 4.971 4.340 0.000 0.000 0.307 309 R C -1.597 174.737 176.300 0.056 0.000 0.965 309 R CA -0.782 55.355 56.100 0.062 0.000 0.865 309 R CB 1.917 32.259 30.300 0.070 0.000 1.174 309 R HN 0.464 nan 8.270 nan 0.000 0.455 310 V N 3.993 123.938 119.914 0.053 0.000 2.531 310 V HA 0.479 4.599 4.120 0.000 0.000 0.301 310 V C -0.034 176.084 176.094 0.040 0.000 1.034 310 V CA -0.879 61.449 62.300 0.046 0.000 0.865 310 V CB 2.022 33.870 31.823 0.041 0.000 0.995 310 V HN 0.640 nan 8.190 nan 0.000 0.424 311 R N 2.720 123.245 120.500 0.042 0.000 2.589 311 R HA 0.877 5.217 4.340 0.000 0.000 0.293 311 R C -0.579 175.742 176.300 0.035 0.000 0.963 311 R CA -0.557 55.562 56.100 0.030 0.000 0.905 311 R CB 2.323 32.645 30.300 0.035 0.000 1.144 311 R HN 0.804 nan 8.270 nan 0.000 0.459 312 A N 1.334 124.164 122.820 0.017 0.000 2.393 312 A HA 0.734 5.054 4.320 0.000 0.000 0.306 312 A C -1.059 176.528 177.584 0.004 0.000 1.050 312 A CA -0.683 51.365 52.037 0.018 0.000 0.724 312 A CB 1.827 20.836 19.000 0.014 0.000 1.248 312 A HN 0.738 nan 8.150 nan 0.000 0.424 313 A N 2.686 125.507 122.820 0.002 0.000 2.260 313 A HA 0.668 4.988 4.320 0.000 0.000 0.314 313 A C -0.237 177.339 177.584 -0.014 0.000 1.257 313 A CA -0.277 51.752 52.037 -0.014 0.000 0.871 313 A CB 0.320 19.301 19.000 -0.032 0.000 1.166 313 A HN 1.056 nan 8.150 nan 0.000 0.522 314 M N 4.309 123.900 119.600 -0.014 0.000 2.227 314 M HA 0.364 4.844 4.480 0.000 0.000 0.335 314 M C 0.104 176.392 176.300 -0.020 0.000 1.053 314 M CA -0.612 54.679 55.300 -0.015 0.000 0.973 314 M CB 1.096 33.691 32.600 -0.009 0.000 1.623 314 M HN 0.786 nan 8.290 nan 0.000 0.434 315 K N 5.141 125.524 120.400 -0.028 0.000 2.168 315 K HA 0.547 4.867 4.320 0.000 0.000 0.258 315 K C -2.810 173.773 176.600 -0.027 0.000 1.010 315 K CA -1.426 54.842 56.287 -0.032 0.000 0.929 315 K CB -0.165 32.308 32.500 -0.045 0.000 0.998 315 K HN 0.281 nan 8.250 nan 0.000 0.479 316 P HA 0.075 nan 4.420 nan 0.000 0.271 316 P C -0.291 177.003 177.300 -0.008 0.000 1.216 316 P CA -0.117 62.977 63.100 -0.010 0.000 0.771 316 P CB 0.709 32.406 31.700 -0.005 0.000 0.864 317 I N 0.636 121.216 120.570 0.018 0.000 4.433 317 I HA 0.095 4.265 4.170 0.000 0.000 0.322 317 I C -0.149 176.058 176.117 0.151 0.000 1.284 317 I CA 0.305 61.623 61.300 0.029 0.000 1.269 317 I CB 0.609 38.629 38.000 0.032 0.000 1.219 317 I HN 0.104 nan 8.210 nan 0.000 0.436 318 S N 1.407 117.172 115.700 0.108 0.000 2.499 318 S HA 0.315 4.785 4.470 0.000 0.000 0.279 318 S C -0.044 174.627 174.600 0.119 0.000 1.219 318 S CA -0.336 57.935 58.200 0.117 0.000 1.062 318 S CB 1.281 64.507 63.200 0.043 0.000 0.978 318 S HN 0.173 nan 8.310 nan 0.000 0.489 319 T N 2.862 117.510 114.554 0.157 0.000 2.901 319 T HA 0.184 4.534 4.350 0.000 0.000 0.301 319 T C 0.222 174.955 174.700 0.054 0.000 1.012 319 T CA -0.316 61.864 62.100 0.134 0.000 1.135 319 T CB 0.361 69.320 68.868 0.152 0.000 0.936 319 T HN 0.347 nan 8.240 nan 0.000 0.539 320 V N 7.261 127.196 119.914 0.035 0.000 2.427 320 V HA 0.187 4.307 4.120 0.000 0.000 0.268 320 V C -1.891 174.209 176.094 0.011 0.000 1.046 320 V CA -1.868 60.428 62.300 -0.006 0.000 0.970 320 V CB 0.386 32.209 31.823 0.000 0.000 1.001 320 V HN 0.739 nan 8.190 nan 0.000 0.476 321 P HA 0.037 nan 4.420 nan 0.000 0.260 321 P C 0.706 178.025 177.300 0.031 0.000 1.172 321 P CA 0.460 63.580 63.100 0.033 0.000 0.760 321 P CB 0.106 31.798 31.700 -0.013 0.000 0.773 322 R N 1.400 121.928 120.500 0.047 0.000 3.977 322 R HA -0.288 4.052 4.340 0.000 0.000 0.428 322 R C 1.108 177.422 176.300 0.023 0.000 1.079 322 R CA 1.153 57.272 56.100 0.032 0.000 1.269 322 R CB -2.135 28.180 30.300 0.025 0.000 1.856 322 R HN 0.579 nan 8.270 nan 0.000 0.551 323 A N 0.448 123.282 122.820 0.023 0.000 1.997 323 A HA 0.247 4.567 4.320 0.000 0.000 0.212 323 A C 0.913 178.507 177.584 0.017 0.000 1.178 323 A CA 0.308 52.355 52.037 0.016 0.000 0.698 323 A CB 0.401 19.408 19.000 0.013 0.000 0.842 323 A HN 0.116 nan 8.150 nan 0.000 0.458 324 L N 0.930 122.167 121.223 0.024 0.000 2.280 324 L HA 0.594 4.934 4.340 0.000 0.000 0.287 324 L C 0.287 177.168 176.870 0.018 0.000 1.023 324 L CA -0.766 54.087 54.840 0.022 0.000 0.819 324 L CB 1.381 43.460 42.059 0.033 0.000 1.212 324 L HN 0.211 nan 8.230 nan 0.000 0.420 325 A N 2.815 125.640 122.820 0.009 0.000 2.477 325 A HA 0.516 4.836 4.320 0.000 0.000 0.246 325 A C 0.236 177.819 177.584 -0.000 0.000 1.078 325 A CA 0.285 52.324 52.037 0.004 0.000 0.770 325 A CB 0.768 19.766 19.000 -0.002 0.000 1.011 325 A HN 0.745 nan 8.150 nan 0.000 0.494 326 T N 0.473 115.028 114.554 0.002 0.000 2.618 326 T HA 0.601 4.951 4.350 0.000 0.000 0.286 326 T C -1.166 173.533 174.700 -0.002 0.000 1.027 326 T CA -0.261 61.836 62.100 -0.005 0.000 1.063 326 T CB 0.994 69.869 68.868 0.012 0.000 1.440 326 T HN 0.752 nan 8.240 nan 0.000 0.505 327 V N 2.235 122.151 119.914 0.004 0.000 2.735 327 V HA 0.467 4.587 4.120 0.000 0.000 0.310 327 V C -0.977 175.141 176.094 0.041 0.000 1.061 327 V CA -0.871 61.439 62.300 0.017 0.000 0.913 327 V CB 1.838 33.669 31.823 0.012 0.000 1.005 327 V HN 0.914 nan 8.190 nan 0.000 0.428 328 D N 3.216 123.639 120.400 0.039 0.000 2.336 328 D HA 0.241 4.881 4.640 0.000 0.000 0.249 328 D C 0.960 177.294 176.300 0.057 0.000 1.213 328 D CA 0.017 54.044 54.000 0.046 0.000 0.870 328 D CB 1.130 41.950 40.800 0.034 0.000 1.076 328 D HN 0.454 nan 8.370 nan 0.000 0.483 329 L N 3.151 124.420 121.223 0.077 0.000 2.362 329 L HA -0.082 4.258 4.340 0.000 0.000 0.219 329 L C 2.244 179.154 176.870 0.066 0.000 1.134 329 L CA 0.798 55.692 54.840 0.090 0.000 0.807 329 L CB -0.278 41.852 42.059 0.119 0.000 0.927 329 L HN 0.455 nan 8.230 nan 0.000 0.447 330 A N 0.146 122.998 122.820 0.054 0.000 1.929 330 A HA -0.159 4.161 4.320 0.000 0.000 0.216 330 A C 2.338 179.943 177.584 0.036 0.000 1.176 330 A CA 2.131 54.194 52.037 0.043 0.000 0.628 330 A CB -0.472 18.549 19.000 0.036 0.000 0.816 330 A HN 0.485 nan 8.150 nan 0.000 0.444 331 T N -6.422 108.153 114.554 0.035 0.000 2.955 331 T HA 0.432 4.782 4.350 0.000 0.000 0.251 331 T C 1.434 176.151 174.700 0.029 0.000 1.002 331 T CA 1.109 63.226 62.100 0.029 0.000 0.970 331 T CB 0.395 69.278 68.868 0.024 0.000 1.091 331 T HN 1.701 nan 8.240 nan 0.000 0.495 332 G N 1.469 110.290 108.800 0.036 0.000 2.176 332 G HA2 -0.180 3.780 3.960 0.000 0.000 0.253 332 G HA3 -0.180 3.780 3.960 0.000 0.000 0.253 332 G C -0.406 174.509 174.900 0.026 0.000 0.979 332 G CA 0.084 45.204 45.100 0.034 0.000 0.641 332 G HN 0.609 nan 8.290 nan 0.000 0.530 333 D N 0.494 120.908 120.400 0.024 0.000 2.329 333 D HA 0.457 5.097 4.640 0.000 0.000 0.246 333 D C 0.684 176.994 176.300 0.016 0.000 1.111 333 D CA -0.369 53.642 54.000 0.018 0.000 0.941 333 D CB 0.778 41.588 40.800 0.016 0.000 1.169 333 D HN 0.404 nan 8.370 nan 0.000 0.441 334 E N -0.217 119.990 120.200 0.012 0.000 2.415 334 E HA 0.363 4.713 4.350 0.000 0.000 0.262 334 E C -0.961 175.646 176.600 0.012 0.000 1.038 334 E CA -0.154 56.252 56.400 0.009 0.000 0.921 334 E CB 0.533 30.237 29.700 0.007 0.000 0.950 334 E HN 0.458 nan 8.360 nan 0.000 0.438 335 A N 2.690 125.517 122.820 0.012 0.000 2.557 335 A HA 0.581 4.901 4.320 0.000 0.000 0.292 335 A C -1.561 176.032 177.584 0.015 0.000 1.139 335 A CA -0.688 51.358 52.037 0.015 0.000 0.665 335 A CB 1.503 20.514 19.000 0.019 0.000 1.285 335 A HN 0.358 nan 8.150 nan 0.000 0.433 336 V N 0.493 120.418 119.914 0.019 0.000 2.540 336 V HA 0.679 4.799 4.120 0.000 0.000 0.302 336 V C 0.621 176.732 176.094 0.029 0.000 1.035 336 V CA -0.300 62.014 62.300 0.023 0.000 0.873 336 V CB 1.359 33.196 31.823 0.023 0.000 0.992 336 V HN 1.545 nan 8.190 nan 0.000 0.428 337 A N 5.781 128.622 122.820 0.036 0.000 2.440 337 A HA 0.627 4.947 4.320 0.000 0.000 0.251 337 A C -0.297 177.320 177.584 0.054 0.000 1.089 337 A CA -0.094 51.969 52.037 0.043 0.000 0.779 337 A CB -0.026 19.006 19.000 0.054 0.000 1.022 337 A HN 0.601 nan 8.150 nan 0.000 0.492 338 I N 3.860 124.452 120.570 0.036 0.000 2.412 338 I HA 0.233 4.403 4.170 0.000 0.000 0.296 338 I C 0.736 176.859 176.117 0.010 0.000 0.987 338 I CA -0.369 60.946 61.300 0.025 0.000 1.180 338 I CB 1.089 39.067 38.000 -0.036 0.000 1.340 338 I HN 0.868 nan 8.210 nan 0.000 0.455 339 H N 5.729 124.797 119.070 -0.004 0.000 2.615 339 H HA 0.287 4.843 4.556 0.000 0.000 0.363 339 H C -0.422 174.894 175.328 -0.019 0.000 1.148 339 H CA -0.293 55.745 56.048 -0.016 0.000 1.401 339 H CB 1.614 31.376 29.762 0.000 0.000 1.461 339 H HN 0.520 nan 8.280 nan 0.000 0.588 340 Q N 1.253 121.046 119.800 -0.012 0.000 2.378 340 Q HA 0.100 4.440 4.340 0.000 0.000 0.229 340 Q C 0.381 176.428 176.000 0.078 0.000 0.882 340 Q CA 0.410 56.197 55.803 -0.027 0.000 0.936 340 Q CB 1.000 29.702 28.738 -0.059 0.000 1.092 340 Q HN 0.748 nan 8.270 nan 0.000 0.535 341 R N -1.204 119.389 120.500 0.155 0.000 2.807 341 R HA 0.647 4.987 4.340 0.000 0.000 0.276 341 R C 0.140 176.554 176.300 0.189 0.000 0.979 341 R CA -0.496 55.693 56.100 0.148 0.000 0.928 341 R CB 1.106 31.453 30.300 0.079 0.000 1.191 341 R HN -0.313 nan 8.270 nan 0.000 0.471 342 S N 0.080 115.845 115.700 0.107 0.000 2.603 342 S HA 0.015 4.485 4.470 0.000 0.000 0.232 342 S C -0.440 174.136 174.600 -0.039 0.000 1.016 342 S CA -0.422 57.780 58.200 0.004 0.000 0.976 342 S CB 0.054 63.281 63.200 0.044 0.000 0.921 342 S HN 0.749 nan 8.310 nan 0.000 0.516 343 D N 1.097 121.486 120.400 -0.019 0.000 2.341 343 D HA 0.166 4.806 4.640 0.000 0.000 0.245 343 D C 1.171 177.438 176.300 -0.055 0.000 1.106 343 D CA -0.458 53.514 54.000 -0.046 0.000 0.905 343 D CB 1.295 42.075 40.800 -0.033 0.000 1.202 343 D HN -0.097 nan 8.370 nan 0.000 0.426 344 V N 0.287 120.152 119.914 -0.082 0.000 2.591 344 V HA -0.039 4.081 4.120 0.000 0.000 0.249 344 V C 1.015 177.083 176.094 -0.043 0.000 1.053 344 V CA 0.712 62.971 62.300 -0.069 0.000 1.068 344 V CB 0.094 31.863 31.823 -0.091 0.000 0.689 344 V HN 0.829 nan 8.190 nan 0.000 0.462 345 C N -0.857 118.416 119.300 -0.045 0.000 2.931 345 C HA 0.714 5.174 4.460 0.000 0.000 0.370 345 C C 0.568 175.551 174.990 -0.012 0.000 1.071 345 C CA -0.187 58.820 59.018 -0.018 0.000 1.266 345 C CB 1.176 28.913 27.740 -0.005 0.000 1.691 345 C HN 0.389 nan 8.230 nan 0.000 0.511 346 A N 3.951 126.771 122.820 0.001 0.000 2.564 346 A HA 0.364 4.684 4.320 0.000 0.000 0.279 346 A C 1.131 178.721 177.584 0.011 0.000 1.232 346 A CA 0.363 52.404 52.037 0.006 0.000 0.950 346 A CB -0.016 18.989 19.000 0.008 0.000 1.138 346 A HN 0.882 nan 8.150 nan 0.000 0.526 347 V N 0.922 120.844 119.914 0.013 0.000 2.295 347 V HA -0.144 3.976 4.120 0.000 0.000 0.246 347 V C -0.218 175.886 176.094 0.017 0.000 1.049 347 V CA 2.627 64.934 62.300 0.013 0.000 1.024 347 V CB -1.228 30.603 31.823 0.013 0.000 0.648 347 V HN 0.368 nan 8.190 nan 0.000 0.447 348 P HA -0.173 nan 4.420 nan 0.000 0.215 348 P C 1.705 179.020 177.300 0.024 0.000 1.157 348 P CA 2.145 65.264 63.100 0.031 0.000 0.868 348 P CB -0.158 31.569 31.700 0.045 0.000 0.788 349 A N -0.145 122.687 122.820 0.020 0.000 1.930 349 A HA -0.069 4.251 4.320 0.000 0.000 0.217 349 A C 2.315 179.904 177.584 0.009 0.000 1.175 349 A CA 1.890 53.936 52.037 0.014 0.000 0.627 349 A CB -1.591 17.416 19.000 0.012 0.000 0.815 349 A HN 0.180 nan 8.150 nan 0.000 0.443 350 A N -0.275 122.550 122.820 0.008 0.000 1.940 350 A HA 0.058 4.378 4.320 0.000 0.000 0.219 350 A C 2.393 179.979 177.584 0.003 0.000 1.176 350 A CA 1.987 54.027 52.037 0.005 0.000 0.631 350 A CB -1.407 17.595 19.000 0.004 0.000 0.814 350 A HN 0.747 nan 8.150 nan 0.000 0.446 351 G N -0.469 108.334 108.800 0.006 0.000 2.440 351 G HA2 -0.173 3.788 3.960 0.000 0.000 0.218 351 G HA3 -0.173 3.788 3.960 0.000 0.000 0.218 351 G C 1.498 176.403 174.900 0.007 0.000 1.154 351 G CA 1.327 46.431 45.100 0.007 0.000 0.767 351 G HN 0.356 nan 8.290 nan 0.000 0.552 352 V N 0.476 120.394 119.914 0.007 0.000 2.407 352 V HA -0.161 3.959 4.120 0.000 0.000 0.248 352 V C 3.007 179.095 176.094 -0.010 0.000 1.055 352 V CA 1.473 63.773 62.300 0.001 0.000 1.049 352 V CB -0.281 31.544 31.823 0.003 0.000 0.662 352 V HN 0.264 nan 8.190 nan 0.000 0.455 353 V N -0.459 119.450 119.914 -0.010 0.000 2.453 353 V HA -0.175 3.945 4.120 0.000 0.000 0.247 353 V C 2.408 178.489 176.094 -0.022 0.000 1.048 353 V CA 1.594 63.883 62.300 -0.018 0.000 1.049 353 V CB -0.294 31.522 31.823 -0.011 0.000 0.672 353 V HN 0.408 nan 8.190 nan 0.000 0.457 354 V N 0.101 120.008 119.914 -0.011 0.000 2.343 354 V HA -0.283 3.837 4.120 0.000 0.000 0.247 354 V C 2.426 178.510 176.094 -0.016 0.000 1.051 354 V CA 2.095 64.390 62.300 -0.008 0.000 1.036 354 V CB -0.721 31.103 31.823 0.002 0.000 0.654 354 V HN 0.619 nan 8.190 nan 0.000 0.451 355 E N -0.166 120.026 120.200 -0.013 0.000 2.070 355 E HA -0.250 4.100 4.350 0.000 0.000 0.197 355 E C 2.308 178.881 176.600 -0.045 0.000 1.004 355 E CA 1.953 58.343 56.400 -0.017 0.000 0.805 355 E CB -0.384 29.309 29.700 -0.011 0.000 0.744 355 E HN 0.539 nan 8.360 nan 0.000 0.451 356 T N 0.699 115.217 114.554 -0.060 0.000 2.684 356 T HA -0.158 4.192 4.350 0.000 0.000 0.267 356 T C 1.743 176.343 174.700 -0.166 0.000 1.036 356 T CA 1.212 63.249 62.100 -0.105 0.000 1.148 356 T CB -0.033 68.778 68.868 -0.096 0.000 0.863 356 T HN 0.063 nan 8.240 nan 0.000 0.436 357 M N 0.618 120.139 119.600 -0.130 0.000 2.132 357 M HA 0.023 4.503 4.480 0.000 0.000 0.263 357 M C 2.477 178.703 176.300 -0.123 0.000 1.065 357 M CA 0.919 56.129 55.300 -0.150 0.000 1.122 357 M CB -1.473 31.093 32.600 -0.056 0.000 1.365 357 M HN 0.122 nan 8.290 nan 0.000 0.411 358 V N 0.781 120.657 119.914 -0.064 0.000 2.287 358 V HA -0.263 3.857 4.120 0.000 0.000 0.248 358 V C 2.733 178.796 176.094 -0.051 0.000 1.053 358 V CA 1.930 64.211 62.300 -0.032 0.000 1.027 358 V CB -1.437 30.383 31.823 -0.005 0.000 0.646 358 V HN 0.487 nan 8.190 nan 0.000 0.447 359 A N -0.385 122.389 122.820 -0.077 0.000 1.908 359 A HA -0.190 4.130 4.320 0.000 0.000 0.218 359 A C 2.230 179.738 177.584 -0.126 0.000 1.181 359 A CA 1.965 53.961 52.037 -0.069 0.000 0.627 359 A CB -0.563 18.395 19.000 -0.069 0.000 0.818 359 A HN 0.505 nan 8.150 nan 0.000 0.445 360 L N -0.768 120.268 121.223 -0.311 0.000 2.017 360 L HA -0.169 4.171 4.340 0.000 0.000 0.208 360 L C 2.567 179.246 176.870 -0.318 0.000 1.073 360 L CA 1.211 55.678 54.840 -0.622 0.000 0.745 360 L CB -0.528 40.651 42.059 -1.467 0.000 0.894 360 L HN 0.253 nan 8.230 nan 0.000 0.432 361 V N 0.021 119.861 119.914 -0.123 0.000 2.343 361 V HA -0.282 3.838 4.120 0.000 0.000 0.247 361 V C 2.368 178.529 176.094 0.112 0.000 1.051 361 V CA 1.632 64.013 62.300 0.134 0.000 1.036 361 V CB -0.351 31.545 31.823 0.122 0.000 0.654 361 V HN 0.336 nan 8.190 nan 0.000 0.451 362 L N 0.045 121.308 121.223 0.067 0.000 2.046 362 L HA -0.162 4.178 4.340 0.000 0.000 0.208 362 L C 2.738 179.697 176.870 0.148 0.000 1.077 362 L CA 1.605 56.504 54.840 0.097 0.000 0.747 362 L CB -0.857 41.252 42.059 0.083 0.000 0.896 362 L HN 0.364 nan 8.230 nan 0.000 0.432 363 A N 0.083 122.989 122.820 0.143 0.000 1.902 363 A HA -0.246 4.074 4.320 0.000 0.000 0.217 363 A C 2.446 180.082 177.584 0.086 0.000 1.181 363 A CA 1.784 53.936 52.037 0.190 0.000 0.623 363 A CB -0.574 18.490 19.000 0.107 0.000 0.818 363 A HN 0.347 nan 8.150 nan 0.000 0.443 364 R N -0.426 120.147 120.500 0.123 0.000 2.081 364 R HA -0.096 4.244 4.340 0.000 0.000 0.235 364 R C 2.283 178.626 176.300 0.073 0.000 1.131 364 R CA 1.470 57.646 56.100 0.126 0.000 0.960 364 R CB -0.393 30.065 30.300 0.264 0.000 0.856 364 R HN 0.435 nan 8.270 nan 0.000 0.436 365 A N 0.540 123.414 122.820 0.089 0.000 1.930 365 A HA -0.052 4.268 4.320 0.000 0.000 0.217 365 A C 2.312 179.905 177.584 0.015 0.000 1.175 365 A CA 1.520 53.580 52.037 0.038 0.000 0.627 365 A CB -0.650 18.378 19.000 0.046 0.000 0.815 365 A HN 0.537 nan 8.150 nan 0.000 0.443 366 A N -0.249 122.647 122.820 0.127 0.000 1.898 366 A HA -0.008 4.312 4.320 0.000 0.000 0.216 366 A C 2.129 179.852 177.584 0.232 0.000 1.181 366 A CA 1.435 53.624 52.037 0.254 0.000 0.620 366 A CB -0.559 18.747 19.000 0.510 0.000 0.819 366 A HN 0.460 nan 8.150 nan 0.000 0.442 367 L N -0.687 120.617 121.223 0.136 0.000 2.141 367 L HA -0.166 4.174 4.340 0.000 0.000 0.209 367 L C 2.546 179.411 176.870 -0.009 0.000 1.094 367 L CA 1.236 56.108 54.840 0.054 0.000 0.763 367 L CB -0.492 41.509 42.059 -0.097 0.000 0.908 367 L HN 0.472 nan 8.230 nan 0.000 0.437 368 E N 0.187 120.355 120.200 -0.053 0.000 2.051 368 E HA -0.282 4.068 4.350 0.000 0.000 0.192 368 E C 2.109 178.603 176.600 -0.178 0.000 0.991 368 E CA 1.352 57.690 56.400 -0.104 0.000 0.799 368 E CB 0.011 29.646 29.700 -0.109 0.000 0.748 368 E HN 0.355 nan 8.360 nan 0.000 0.449 369 K N 0.086 120.306 120.400 -0.301 0.000 2.044 369 K HA -0.076 4.244 4.320 0.000 0.000 0.204 369 K C 1.564 177.865 176.600 -0.499 0.000 1.049 369 K CA 1.012 56.974 56.287 -0.542 0.000 0.945 369 K CB 0.047 31.977 32.500 -0.951 0.000 0.724 369 K HN -0.010 nan 8.250 nan 0.000 0.440 370 F N 0.731 120.650 119.950 -0.051 0.000 2.754 370 F HA 0.289 4.816 4.527 0.000 0.000 0.297 370 F C 1.439 177.242 175.800 0.005 0.000 1.122 370 F CA 0.426 58.413 58.000 -0.021 0.000 1.400 370 F CB -0.150 38.864 39.000 0.023 0.000 1.117 370 F HN 0.311 nan 8.300 nan 0.000 0.587 371 G N 0.381 109.254 108.800 0.121 0.000 2.598 371 G HA2 0.203 4.163 3.960 0.000 0.000 0.269 371 G HA3 0.203 4.163 3.960 0.000 0.000 0.269 371 G C 0.351 175.311 174.900 0.101 0.000 1.289 371 G CA 0.015 45.159 45.100 0.073 0.000 0.926 371 G HN 1.346 nan 8.290 nan 0.000 0.567 372 G N -2.360 106.480 108.800 0.066 0.000 2.692 372 G HA2 0.290 4.250 3.960 0.000 0.000 0.686 372 G HA3 0.290 4.250 3.960 0.000 0.000 0.686 372 G C -0.052 174.873 174.900 0.042 0.000 1.243 372 G CA 0.711 45.849 45.100 0.063 0.000 0.782 372 G HN 1.202 nan 8.290 nan 0.000 0.625 373 D N -0.571 119.850 120.400 0.035 0.000 2.423 373 D HA 0.193 4.833 4.640 0.000 0.000 0.208 373 D C 1.525 177.844 176.300 0.031 0.000 1.068 373 D CA 1.286 55.300 54.000 0.023 0.000 0.860 373 D CB 0.707 41.517 40.800 0.016 0.000 0.992 373 D HN 0.882 nan 8.370 nan 0.000 0.504 374 S N -0.091 115.635 115.700 0.043 0.000 2.568 374 S HA 0.300 4.770 4.470 0.000 0.000 0.293 374 S C 0.763 175.403 174.600 0.068 0.000 1.089 374 S CA -0.745 57.484 58.200 0.049 0.000 0.945 374 S CB 2.561 65.783 63.200 0.037 0.000 1.077 374 S HN -0.086 nan 8.310 nan 0.000 0.485 375 L N 2.304 123.569 121.223 0.070 0.000 2.043 375 L HA 0.027 4.367 4.340 0.000 0.000 0.212 375 L C 2.604 179.489 176.870 0.024 0.000 1.075 375 L CA 2.690 57.571 54.840 0.070 0.000 0.752 375 L CB -1.353 40.716 42.059 0.016 0.000 0.891 375 L HN 0.989 nan 8.230 nan 0.000 0.432 376 A N -0.999 121.827 122.820 0.011 0.000 1.940 376 A HA -0.280 4.040 4.320 0.000 0.000 0.219 376 A C 2.326 179.915 177.584 0.010 0.000 1.176 376 A CA 1.856 53.893 52.037 0.001 0.000 0.631 376 A CB -0.700 18.304 19.000 0.007 0.000 0.814 376 A HN 0.662 nan 8.150 nan 0.000 0.446 377 E N -0.707 119.510 120.200 0.027 0.000 2.028 377 E HA -0.150 4.200 4.350 0.000 0.000 0.191 377 E C 1.966 178.594 176.600 0.046 0.000 0.988 377 E CA 1.637 58.058 56.400 0.035 0.000 0.799 377 E CB -0.203 29.521 29.700 0.041 0.000 0.755 377 E HN 0.527 nan 8.360 nan 0.000 0.447 378 T N 1.045 115.641 114.554 0.070 0.000 2.720 378 T HA -0.206 4.144 4.350 0.000 0.000 0.268 378 T C 1.848 176.545 174.700 -0.006 0.000 1.037 378 T CA 1.615 63.772 62.100 0.095 0.000 1.144 378 T CB -0.231 68.756 68.868 0.199 0.000 0.864 378 T HN 0.280 nan 8.240 nan 0.000 0.444 379 Q N 0.374 120.152 119.800 -0.037 0.000 2.084 379 Q HA -0.035 4.305 4.340 0.000 0.000 0.202 379 Q C 2.681 178.633 176.000 -0.079 0.000 0.978 379 Q CA 1.122 56.865 55.803 -0.098 0.000 0.844 379 Q CB -0.141 28.545 28.738 -0.086 0.000 0.898 379 Q HN 0.448 nan 8.270 nan 0.000 0.426 380 R N 0.415 120.896 120.500 -0.032 0.000 2.091 380 R HA -0.118 4.222 4.340 0.000 0.000 0.238 380 R C 1.873 178.174 176.300 0.002 0.000 1.136 380 R CA 1.369 57.462 56.100 -0.012 0.000 0.959 380 R CB -0.201 30.104 30.300 0.008 0.000 0.856 380 R HN 0.297 nan 8.270 nan 0.000 0.437 381 N N 0.724 119.436 118.700 0.020 0.000 2.142 381 N HA -0.106 4.634 4.740 0.000 0.000 0.186 381 N C 1.851 177.394 175.510 0.055 0.000 1.023 381 N CA 1.106 54.207 53.050 0.085 0.000 0.852 381 N CB -0.204 38.375 38.487 0.154 0.000 0.998 381 N HN 0.199 nan 8.380 nan 0.000 0.424 382 I N 1.093 121.537 120.570 -0.209 0.000 2.179 382 I HA -0.257 3.914 4.170 0.000 0.000 0.242 382 I C 2.295 178.334 176.117 -0.130 0.000 1.088 382 I CA 1.177 62.173 61.300 -0.507 0.000 1.357 382 I CB -0.330 37.245 38.000 -0.708 0.000 1.051 382 I HN 0.071 nan 8.210 nan 0.000 0.409 383 A N 0.661 123.427 122.820 -0.091 0.000 1.908 383 A HA -0.216 4.104 4.320 0.000 0.000 0.218 383 A C 2.525 180.116 177.584 0.012 0.000 1.181 383 A CA 2.056 54.069 52.037 -0.039 0.000 0.627 383 A CB -0.945 18.031 19.000 -0.039 0.000 0.818 383 A HN 0.454 nan 8.150 nan 0.000 0.445 384 A N -1.562 121.285 122.820 0.046 0.000 1.902 384 A HA -0.103 4.217 4.320 0.000 0.000 0.217 384 A C 2.148 179.804 177.584 0.120 0.000 1.181 384 A CA 1.701 53.781 52.037 0.072 0.000 0.623 384 A CB -0.827 18.223 19.000 0.084 0.000 0.818 384 A HN 0.765 nan 8.150 nan 0.000 0.443 385 Y N 0.640 120.983 120.300 0.071 0.000 2.145 385 Y HA -0.254 4.296 4.550 0.000 0.000 0.286 385 Y C 2.469 178.416 175.900 0.079 0.000 1.145 385 Y CA 2.310 60.483 58.100 0.122 0.000 1.148 385 Y CB -0.526 38.110 38.460 0.293 0.000 0.981 385 Y HN 0.448 nan 8.280 nan 0.000 0.507 386 Q N -0.271 119.511 119.800 -0.029 0.000 2.084 386 Q HA -0.199 4.141 4.340 0.000 0.000 0.202 386 Q C 2.426 178.347 176.000 -0.133 0.000 0.978 386 Q CA 1.608 57.329 55.803 -0.136 0.000 0.844 386 Q CB -0.220 28.494 28.738 -0.039 0.000 0.898 386 Q HN 0.464 nan 8.270 nan 0.000 0.426 387 R N 0.287 120.745 120.500 -0.070 0.000 2.083 387 R HA -0.153 4.187 4.340 0.000 0.000 0.237 387 R C 2.705 178.963 176.300 -0.071 0.000 1.137 387 R CA 1.696 57.764 56.100 -0.054 0.000 0.951 387 R CB -0.400 29.886 30.300 -0.023 0.000 0.851 387 R HN 0.310 nan 8.270 nan 0.000 0.434 388 S N 0.125 115.777 115.700 -0.079 0.000 2.383 388 S HA -0.112 4.358 4.470 0.000 0.000 0.229 388 S C 2.107 176.632 174.600 -0.125 0.000 1.030 388 S CA 1.504 59.659 58.200 -0.075 0.000 1.002 388 S CB -0.487 62.694 63.200 -0.032 0.000 0.829 388 S HN 0.088 nan 8.310 nan 0.000 0.467 389 V N 2.437 122.210 119.914 -0.234 0.000 2.323 389 V HA -0.020 4.100 4.120 0.000 0.000 0.244 389 V C 3.194 179.215 176.094 -0.121 0.000 1.041 389 V CA 1.574 63.741 62.300 -0.220 0.000 1.025 389 V CB -1.489 30.124 31.823 -0.350 0.000 0.656 389 V HN 0.679 nan 8.190 nan 0.000 0.451 390 A N -0.017 122.739 122.820 -0.107 0.000 1.933 390 A HA -0.235 4.085 4.320 0.000 0.000 0.218 390 A C 1.798 179.354 177.584 -0.046 0.000 1.175 390 A CA 1.995 53.993 52.037 -0.064 0.000 0.628 390 A CB -0.588 18.379 19.000 -0.054 0.000 0.814 390 A HN 0.543 nan 8.150 nan 0.000 0.444 391 D N -0.350 120.022 120.400 -0.047 0.000 2.378 391 D HA 0.033 4.673 4.640 0.000 0.000 0.227 391 D C 1.071 177.355 176.300 -0.027 0.000 1.012 391 D CA 0.267 54.249 54.000 -0.031 0.000 0.905 391 D CB -0.093 40.692 40.800 -0.025 0.000 0.895 391 D HN 0.457 nan 8.370 nan 0.000 0.532 392 R N 0.000 120.480 120.500 -0.034 0.000 2.786 392 R HA 0.000 4.340 4.340 0.000 0.000 0.208 392 R CA 0.000 56.085 56.100 -0.025 0.000 0.921 392 R CB 0.000 30.282 30.300 -0.030 0.000 0.687 392 R HN 0.000 nan 8.270 nan 0.000 0.535