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 2b9v_1_G DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPXXXXXXX XXQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSYEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK 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 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.328 175.328 0.001 0.000 0.993 50 H CA 0.000 56.048 56.048 0.000 0.000 1.023 50 H CB 0.000 29.762 29.762 0.000 0.000 1.292 51 D N 4.356 124.769 120.400 0.020 0.000 2.339 51 D HA 0.147 4.787 4.640 0.000 0.000 0.256 51 D C -1.256 175.031 176.300 -0.021 0.000 1.214 51 D CA -2.088 51.897 54.000 -0.025 0.000 0.877 51 D CB 1.359 42.160 40.800 0.002 0.000 1.111 51 D HN 0.294 nan 8.370 nan 0.000 0.478 52 P HA -0.049 nan 4.420 nan 0.000 0.229 52 P C 1.247 178.544 177.300 -0.004 0.000 1.160 52 P CA 0.510 63.590 63.100 -0.032 0.000 0.777 52 P CB 0.315 31.977 31.700 -0.063 0.000 0.814 53 L N -1.324 119.894 121.223 -0.008 0.000 2.627 53 L HA 0.121 4.461 4.340 0.000 0.000 0.233 53 L C 1.699 178.574 176.870 0.007 0.000 1.144 53 L CA 0.508 55.347 54.840 -0.001 0.000 0.892 53 L CB -0.261 41.795 42.059 -0.005 0.000 1.039 53 L HN -0.037 nan 8.230 nan 0.000 0.442 54 S N -1.976 113.733 115.700 0.015 0.000 3.019 54 S HA 0.179 4.649 4.470 0.000 0.000 0.258 54 S C 0.375 174.993 174.600 0.031 0.000 1.082 54 S CA -0.199 58.013 58.200 0.020 0.000 0.836 54 S CB 1.101 64.312 63.200 0.020 0.000 0.834 54 S HN -0.057 nan 8.310 nan 0.000 0.457 55 V N 3.294 123.238 119.914 0.051 0.000 2.347 55 V HA 0.568 4.688 4.120 0.000 0.000 0.280 55 V C -0.617 175.530 176.094 0.089 0.000 1.021 55 V CA -0.450 61.892 62.300 0.070 0.000 0.847 55 V CB 1.254 33.140 31.823 0.105 0.000 0.990 55 V HN 0.264 nan 8.190 nan 0.000 0.444 56 Q N 3.350 123.185 119.800 0.059 0.000 2.368 56 Q HA 0.387 4.727 4.340 0.000 0.000 0.263 56 Q C 0.657 176.683 176.000 0.044 0.000 1.009 56 Q CA -0.067 55.770 55.803 0.056 0.000 0.818 56 Q CB 1.600 30.358 28.738 0.034 0.000 1.239 56 Q HN 0.871 nan 8.270 nan 0.000 0.464 57 T N -0.098 114.490 114.554 0.056 0.000 3.040 57 T HA 0.397 4.747 4.350 0.000 0.000 0.250 57 T C 0.796 175.509 174.700 0.021 0.000 1.058 57 T CA 0.235 62.345 62.100 0.017 0.000 0.988 57 T CB 0.508 69.358 68.868 -0.030 0.000 0.993 57 T HN 0.455 nan 8.240 nan 0.000 0.519 58 G N 0.959 109.781 108.800 0.036 0.000 2.849 58 G HA2 0.549 4.509 3.960 0.000 0.000 0.174 58 G HA3 0.549 4.509 3.960 0.000 0.000 0.174 58 G C -0.877 174.035 174.900 0.020 0.000 1.370 58 G CA -0.596 44.521 45.100 0.028 0.000 1.040 58 G HN 0.326 nan 8.290 nan 0.000 0.582 59 S N -1.089 114.621 115.700 0.017 0.000 2.501 59 S HA 0.390 4.860 4.470 0.000 0.000 0.301 59 S C 0.011 174.619 174.600 0.013 0.000 1.096 59 S CA -0.594 57.614 58.200 0.013 0.000 1.063 59 S CB 1.584 64.790 63.200 0.010 0.000 1.042 59 S HN 0.353 nan 8.310 nan 0.000 0.494 60 D N 2.508 122.914 120.400 0.011 0.000 2.347 60 D HA 0.175 4.815 4.640 0.000 0.000 0.213 60 D C 0.134 176.439 176.300 0.008 0.000 0.985 60 D CA 0.599 54.605 54.000 0.010 0.000 0.879 60 D CB 0.075 40.881 40.800 0.009 0.000 0.919 60 D HN 0.521 nan 8.370 nan 0.000 0.526 61 I N 2.966 123.541 120.570 0.008 0.000 2.312 61 I HA 0.145 4.315 4.170 0.000 0.000 0.291 61 I C -1.572 174.550 176.117 0.008 0.000 1.031 61 I CA -1.685 59.620 61.300 0.008 0.000 1.293 61 I CB 0.915 38.919 38.000 0.007 0.000 1.403 61 I HN -0.209 nan 8.210 nan 0.000 0.484 73 R N 1.994 122.422 120.500 -0.119 0.000 2.679 73 R HA 0.056 4.396 4.340 0.000 0.000 0.269 73 R C 0.201 176.430 176.300 -0.119 0.000 1.076 73 R CA 0.669 56.657 56.100 -0.187 0.000 1.160 73 R CB 0.258 30.243 30.300 -0.525 0.000 1.054 73 R HN 0.111 nan 8.270 nan 0.000 0.507 74 D N 0.430 120.826 120.400 -0.007 0.000 2.463 74 D HA 0.048 4.688 4.640 0.000 0.000 0.224 74 D C -0.659 175.748 176.300 0.177 0.000 1.174 74 D CA -0.211 53.837 54.000 0.080 0.000 0.829 74 D CB -0.155 40.712 40.800 0.113 0.000 0.993 74 D HN 0.494 nan 8.370 nan 0.000 0.497 75 Y N -1.387 118.927 120.300 0.024 0.000 2.677 75 Y HA 0.536 5.086 4.550 0.000 0.000 0.334 75 Y C -1.510 174.407 175.900 0.028 0.000 1.196 75 Y CA -1.855 56.262 58.100 0.029 0.000 1.059 75 Y CB 0.892 39.374 38.460 0.037 0.000 1.315 75 Y HN -0.039 nan 8.280 nan 0.000 0.455 76 I N 0.319 120.994 120.570 0.175 0.000 2.608 76 I HA 0.698 4.868 4.170 0.000 0.000 0.295 76 I C -1.434 174.825 176.117 0.238 0.000 1.049 76 I CA -1.067 60.285 61.300 0.086 0.000 1.063 76 I CB 2.330 40.353 38.000 0.039 0.000 1.248 76 I HN 0.781 nan 8.210 nan 0.000 0.424 77 K N 5.663 126.182 120.400 0.199 0.000 2.323 77 K HA 0.575 4.895 4.320 0.000 0.000 0.259 77 K C -1.084 175.585 176.600 0.115 0.000 0.947 77 K CA -0.711 55.695 56.287 0.199 0.000 0.819 77 K CB 1.796 34.452 32.500 0.259 0.000 1.109 77 K HN 0.750 nan 8.250 nan 0.000 0.429 78 R N 2.662 123.217 120.500 0.091 0.000 2.514 78 R HA 0.261 4.601 4.340 0.000 0.000 0.301 78 R C -0.893 175.414 176.300 0.011 0.000 0.962 78 R CA -0.704 55.433 56.100 0.063 0.000 0.882 78 R CB 1.875 32.222 30.300 0.080 0.000 1.143 78 R HN 0.583 nan 8.270 nan 0.000 0.452 79 E N 2.291 122.486 120.200 -0.007 0.000 2.155 79 E HA 0.367 4.717 4.350 0.000 0.000 0.264 79 E C -0.965 175.567 176.600 -0.113 0.000 0.886 79 E CA -0.662 55.666 56.400 -0.120 0.000 0.752 79 E CB 2.150 31.857 29.700 0.012 0.000 1.133 79 E HN 0.154 nan 8.360 nan 0.000 0.414 80 V N 2.469 122.244 119.914 -0.233 0.000 3.040 80 V HA 0.423 4.543 4.120 0.000 0.000 0.312 80 V C -0.354 175.572 176.094 -0.280 0.000 1.115 80 V CA -1.097 61.087 62.300 -0.193 0.000 0.998 80 V CB 2.129 33.829 31.823 -0.205 0.000 1.042 80 V HN 0.690 nan 8.190 nan 0.000 0.433 81 M N 2.706 122.186 119.600 -0.201 0.000 2.103 81 M HA 0.387 4.867 4.480 0.000 0.000 0.350 81 M C -0.725 175.391 176.300 -0.305 0.000 1.100 81 M CA -0.372 54.828 55.300 -0.167 0.000 1.042 81 M CB 0.906 33.483 32.600 -0.038 0.000 1.368 81 M HN 0.400 nan 8.290 nan 0.000 0.404 82 V N 7.127 126.765 119.914 -0.459 0.000 2.427 82 V HA 0.233 4.353 4.120 0.000 0.000 0.268 82 V C -1.820 174.107 176.094 -0.279 0.000 1.046 82 V CA -1.139 60.772 62.300 -0.649 0.000 0.970 82 V CB 0.617 31.985 31.823 -0.757 0.000 1.001 82 V HN 0.541 nan 8.190 nan 0.000 0.476 83 P HA 0.271 nan 4.420 nan 0.000 0.280 83 P C -0.468 176.841 177.300 0.016 0.000 1.244 83 P CA -0.410 62.670 63.100 -0.033 0.000 0.784 83 P CB 0.909 32.623 31.700 0.023 0.000 0.913 84 M N 2.927 122.547 119.600 0.034 0.000 2.245 84 M HA 0.241 4.721 4.480 0.000 0.000 0.292 84 M C 2.102 178.446 176.300 0.073 0.000 1.176 84 M CA -0.535 54.805 55.300 0.067 0.000 1.035 84 M CB 0.217 32.856 32.600 0.065 0.000 1.440 84 M HN 0.409 nan 8.290 nan 0.000 0.494 85 R N 0.635 121.182 120.500 0.078 0.000 2.193 85 R HA -0.144 4.196 4.340 0.000 0.000 0.229 85 R C 0.333 176.656 176.300 0.038 0.000 1.110 85 R CA 1.819 57.953 56.100 0.057 0.000 0.988 85 R CB -0.540 29.780 30.300 0.033 0.000 0.871 85 R HN 0.660 nan 8.270 nan 0.000 0.458 86 D N -0.904 119.519 120.400 0.039 0.000 2.342 86 D HA 0.128 4.768 4.640 0.000 0.000 0.221 86 D C 1.108 177.429 176.300 0.034 0.000 1.101 86 D CA 0.428 54.448 54.000 0.032 0.000 0.837 86 D CB 0.593 41.412 40.800 0.033 0.000 0.938 86 D HN 0.400 nan 8.370 nan 0.000 0.508 87 G N -0.188 108.635 108.800 0.038 0.000 2.241 87 G HA2 -0.279 3.681 3.960 0.000 0.000 0.244 87 G HA3 -0.279 3.681 3.960 0.000 0.000 0.244 87 G C 0.245 175.164 174.900 0.033 0.000 0.998 87 G CA 0.088 45.209 45.100 0.035 0.000 0.621 87 G HN 0.368 nan 8.290 nan 0.000 0.519 88 V N 2.248 122.184 119.914 0.037 0.000 2.585 88 V HA 0.317 4.437 4.120 0.000 0.000 0.296 88 V C 0.765 176.875 176.094 0.027 0.000 1.035 88 V CA 0.519 62.841 62.300 0.037 0.000 1.084 88 V CB 1.170 33.022 31.823 0.048 0.000 0.953 88 V HN 0.365 nan 8.190 nan 0.000 0.483 89 K N 5.884 126.297 120.400 0.021 0.000 2.159 89 K HA 0.653 4.973 4.320 0.000 0.000 0.266 89 K C -1.000 175.609 176.600 0.016 0.000 0.975 89 K CA -0.502 55.784 56.287 -0.001 0.000 0.865 89 K CB 1.533 34.030 32.500 -0.004 0.000 1.087 89 K HN 0.484 nan 8.250 nan 0.000 0.446 90 L N 3.035 124.251 121.223 -0.012 0.000 2.329 90 L HA 0.344 4.684 4.340 0.000 0.000 0.279 90 L C -0.493 176.388 176.870 0.018 0.000 1.014 90 L CA -1.233 53.624 54.840 0.028 0.000 0.814 90 L CB 0.769 42.840 42.059 0.021 0.000 1.257 90 L HN 0.567 nan 8.230 nan 0.000 0.424 91 Y N 2.455 122.740 120.300 -0.025 0.000 2.496 91 Y HA 0.167 4.717 4.550 0.000 0.000 0.334 91 Y C -0.218 175.668 175.900 -0.023 0.000 1.080 91 Y CA 0.190 58.276 58.100 -0.024 0.000 1.355 91 Y CB 0.599 39.067 38.460 0.013 0.000 1.193 91 Y HN 0.486 nan 8.280 nan 0.000 0.523 92 T N 6.486 120.694 114.554 -0.576 0.000 2.841 92 T HA 0.469 4.819 4.350 0.000 0.000 0.285 92 T C -1.113 173.307 174.700 -0.468 0.000 0.991 92 T CA -0.701 61.156 62.100 -0.405 0.000 0.966 92 T CB 1.087 69.764 68.868 -0.319 0.000 0.962 92 T HN 0.375 nan 8.240 nan 0.000 0.438 93 V N 4.538 124.304 119.914 -0.247 0.000 2.398 93 V HA 0.552 4.672 4.120 0.000 0.000 0.286 93 V C -0.501 175.602 176.094 0.016 0.000 1.026 93 V CA -0.791 61.443 62.300 -0.111 0.000 0.868 93 V CB 1.087 32.925 31.823 0.025 0.000 0.982 93 V HN 0.758 nan 8.190 nan 0.000 0.443 94 I N 5.160 125.750 120.570 0.033 0.000 2.389 94 I HA 0.469 4.640 4.170 0.000 0.000 0.288 94 I C -0.341 175.832 176.117 0.093 0.000 0.999 94 I CA -0.413 60.928 61.300 0.068 0.000 1.129 94 I CB 2.022 40.073 38.000 0.085 0.000 1.288 94 I HN 0.283 nan 8.210 nan 0.000 0.444 95 V N 7.365 127.335 119.914 0.094 0.000 2.357 95 V HA 0.490 4.610 4.120 0.000 0.000 0.284 95 V C -0.050 176.104 176.094 0.101 0.000 1.018 95 V CA -0.430 61.933 62.300 0.104 0.000 0.841 95 V CB 1.177 33.022 31.823 0.037 0.000 0.991 95 V HN 0.477 nan 8.190 nan 0.000 0.437 96 I N 7.200 127.851 120.570 0.136 0.000 2.389 96 I HA 0.417 4.587 4.170 0.000 0.000 0.288 96 I C -2.451 173.748 176.117 0.138 0.000 0.999 96 I CA -2.226 59.140 61.300 0.109 0.000 1.129 96 I CB 2.409 40.458 38.000 0.082 0.000 1.288 96 I HN 0.392 nan 8.210 nan 0.000 0.444 97 P HA 0.070 nan 4.420 nan 0.000 0.268 97 P C -0.627 176.726 177.300 0.088 0.000 1.205 97 P CA -0.323 62.849 63.100 0.119 0.000 0.771 97 P CB 0.492 32.243 31.700 0.086 0.000 0.858 98 K N 2.305 122.756 120.400 0.084 0.000 2.469 98 K HA -0.037 4.283 4.320 0.000 0.000 0.274 98 K C 0.516 177.134 176.600 0.030 0.000 0.983 98 K CA 0.564 56.877 56.287 0.044 0.000 0.974 98 K CB -0.520 31.995 32.500 0.025 0.000 0.913 98 K HN 0.439 nan 8.250 nan 0.000 0.493 99 N N -0.391 118.319 118.700 0.017 0.000 2.708 99 N HA -0.256 4.484 4.740 0.000 0.000 0.249 99 N C -1.141 174.372 175.510 0.005 0.000 1.097 99 N CA 0.572 53.626 53.050 0.008 0.000 0.710 99 N CB -0.691 37.799 38.487 0.006 0.000 1.032 99 N HN 0.619 nan 8.380 nan 0.000 0.551 100 A N 0.619 123.444 122.820 0.009 0.000 2.388 100 A HA 0.639 4.959 4.320 0.000 0.000 0.257 100 A C 0.580 178.155 177.584 -0.015 0.000 1.095 100 A CA 0.134 52.171 52.037 0.000 0.000 0.791 100 A CB 0.686 19.692 19.000 0.010 0.000 1.029 100 A HN 0.365 nan 8.150 nan 0.000 0.489 101 R N 1.454 121.937 120.500 -0.028 0.000 2.515 101 R HA 0.346 4.686 4.340 0.000 0.000 0.278 101 R C -0.641 175.626 176.300 -0.054 0.000 1.107 101 R CA -0.319 55.759 56.100 -0.037 0.000 0.945 101 R CB 0.738 31.020 30.300 -0.030 0.000 1.219 101 R HN 0.996 nan 8.270 nan 0.000 0.434 102 N N 0.618 119.280 118.700 -0.064 0.000 2.735 102 N HA -0.255 4.485 4.740 0.000 0.000 0.248 102 N C -0.951 174.495 175.510 -0.106 0.000 1.083 102 N CA 0.789 53.791 53.050 -0.081 0.000 0.703 102 N CB -0.591 37.853 38.487 -0.073 0.000 1.005 102 N HN 0.587 nan 8.380 nan 0.000 0.550 103 A N 0.318 123.072 122.820 -0.110 0.000 2.316 103 A HA 0.607 4.927 4.320 0.000 0.000 0.284 103 A C -1.871 175.594 177.584 -0.199 0.000 1.115 103 A CA -1.145 50.796 52.037 -0.159 0.000 0.812 103 A CB 0.651 19.584 19.000 -0.112 0.000 1.064 103 A HN 0.057 nan 8.150 nan 0.000 0.489 104 P HA 0.405 nan 4.420 nan 0.000 0.274 104 P C -0.792 176.404 177.300 -0.173 0.000 1.246 104 P CA -0.050 62.867 63.100 -0.305 0.000 0.795 104 P CB 0.713 32.110 31.700 -0.506 0.000 1.006 105 I N 0.853 121.387 120.570 -0.060 0.000 2.433 105 I HA 0.305 4.475 4.170 0.000 0.000 0.292 105 I C -0.139 176.009 176.117 0.052 0.000 1.001 105 I CA -1.006 60.297 61.300 0.004 0.000 1.119 105 I CB 1.717 39.696 38.000 -0.036 0.000 1.289 105 I HN 0.133 nan 8.210 nan 0.000 0.438 106 L N 7.383 128.622 121.223 0.028 0.000 2.287 106 L HA 0.567 4.907 4.340 0.000 0.000 0.287 106 L C -1.118 175.649 176.870 -0.172 0.000 1.022 106 L CA -0.409 54.374 54.840 -0.095 0.000 0.814 106 L CB 1.413 43.282 42.059 -0.317 0.000 1.217 106 L HN 0.472 nan 8.230 nan 0.000 0.420 107 L N 4.551 125.687 121.223 -0.145 0.000 2.346 107 L HA 0.791 5.131 4.340 0.000 0.000 0.276 107 L C -0.717 176.041 176.870 -0.187 0.000 1.006 107 L CA 0.322 55.059 54.840 -0.172 0.000 0.817 107 L CB 2.220 44.225 42.059 -0.090 0.000 1.272 107 L HN 0.646 nan 8.230 nan 0.000 0.421 108 T N 4.673 119.067 114.554 -0.266 0.000 2.921 108 T HA 0.558 4.908 4.350 0.000 0.000 0.297 108 T C -0.778 173.924 174.700 0.003 0.000 1.013 108 T CA -0.609 61.403 62.100 -0.146 0.000 0.990 108 T CB 1.302 70.020 68.868 -0.251 0.000 1.023 108 T HN 0.541 nan 8.240 nan 0.000 0.447 109 R N 1.651 122.212 120.500 0.102 0.000 2.338 109 R HA 0.732 5.072 4.340 0.000 0.000 0.317 109 R C -0.375 176.056 176.300 0.219 0.000 0.968 109 R CA -0.764 55.429 56.100 0.155 0.000 0.849 109 R CB 1.805 32.191 30.300 0.144 0.000 1.128 109 R HN 0.521 nan 8.270 nan 0.000 0.448 110 T N 2.082 116.755 114.554 0.198 0.000 2.903 110 T HA 0.437 4.787 4.350 0.000 0.000 0.299 110 T C -2.337 172.335 174.700 -0.046 0.000 1.093 110 T CA -2.069 60.109 62.100 0.130 0.000 1.002 110 T CB 1.872 70.874 68.868 0.225 0.000 1.127 110 T HN 0.349 nan 8.240 nan 0.000 0.488 111 P HA 0.249 nan 4.420 nan 0.000 0.268 111 P C -0.456 176.613 177.300 -0.385 0.000 1.329 111 P CA -0.027 62.761 63.100 -0.519 0.000 0.899 111 P CB -0.056 31.014 31.700 -1.049 0.000 1.378 112 Y N 0.547 120.842 120.300 -0.008 0.000 2.774 112 Y HA 0.326 4.876 4.550 0.000 0.000 0.305 112 Y C 0.476 176.177 175.900 -0.333 0.000 1.067 112 Y CA -1.417 56.641 58.100 -0.070 0.000 1.304 112 Y CB -1.146 37.319 38.460 0.008 0.000 1.209 112 Y HN 0.068 nan 8.280 nan 0.000 0.543 113 N N 0.321 118.717 118.700 -0.506 0.000 2.483 113 N HA -0.200 4.540 4.740 0.000 0.000 0.280 113 N C 0.859 176.187 175.510 -0.303 0.000 1.315 113 N CA 0.243 52.808 53.050 -0.809 0.000 0.637 113 N CB -0.313 37.449 38.487 -1.210 0.000 0.893 113 N HN 0.510 nan 8.380 nan 0.000 0.535 114 A N 3.200 125.970 122.820 -0.083 0.000 1.978 114 A HA -0.218 4.102 4.320 0.000 0.000 0.220 114 A C 1.978 179.559 177.584 -0.005 0.000 1.170 114 A CA 1.896 53.952 52.037 0.032 0.000 0.636 114 A CB -0.233 18.911 19.000 0.241 0.000 0.810 114 A HN 0.751 nan 8.150 nan 0.000 0.448 115 K N -0.746 119.679 120.400 0.043 0.000 2.057 115 K HA -0.104 4.216 4.320 0.000 0.000 0.207 115 K C 2.036 178.592 176.600 -0.073 0.000 1.049 115 K CA 1.385 57.705 56.287 0.054 0.000 0.931 115 K CB -0.478 32.025 32.500 0.006 0.000 0.714 115 K HN 0.396 nan 8.250 nan 0.000 0.440 116 G N 0.881 109.589 108.800 -0.152 0.000 2.394 116 G HA2 -0.189 3.771 3.960 0.000 0.000 0.215 116 G HA3 -0.189 3.771 3.960 0.000 0.000 0.215 116 G C 1.430 176.201 174.900 -0.216 0.000 1.165 116 G CA 0.088 45.092 45.100 -0.161 0.000 0.784 116 G HN 0.158 nan 8.290 nan 0.000 0.535 117 R N 0.921 121.225 120.500 -0.327 0.000 2.127 117 R HA -0.001 4.339 4.340 0.000 0.000 0.238 117 R C 2.302 178.176 176.300 -0.709 0.000 1.134 117 R CA 1.122 56.883 56.100 -0.565 0.000 0.975 117 R CB -0.759 29.037 30.300 -0.839 0.000 0.865 117 R HN 0.346 nan 8.270 nan 0.000 0.447 118 A N 0.701 123.199 122.820 -0.536 0.000 2.462 118 A HA 0.126 4.446 4.320 0.000 0.000 0.261 118 A C 0.169 177.667 177.584 -0.143 0.000 1.323 118 A CA -0.144 51.719 52.037 -0.290 0.000 0.913 118 A CB 0.005 18.954 19.000 -0.084 0.000 1.028 118 A HN 0.064 nan 8.150 nan 0.000 0.511 119 N N 0.097 118.713 118.700 -0.140 0.000 2.646 119 N HA 0.114 4.854 4.740 0.000 0.000 0.303 119 N C 1.026 176.497 175.510 -0.065 0.000 1.921 119 N CA -0.284 52.723 53.050 -0.071 0.000 0.872 119 N CB 0.263 38.726 38.487 -0.039 0.000 1.327 119 N HN 0.384 nan 8.380 nan 0.000 0.492 120 R N -0.229 120.228 120.500 -0.071 0.000 2.096 120 R HA -0.002 4.338 4.340 0.000 0.000 0.240 120 R C -0.239 176.049 176.300 -0.019 0.000 1.139 120 R CA 1.283 57.358 56.100 -0.041 0.000 0.952 120 R CB 0.066 30.348 30.300 -0.029 0.000 0.854 120 R HN 0.004 nan 8.270 nan 0.000 0.436 121 V N 4.516 124.423 119.914 -0.012 0.000 2.313 121 V HA 0.252 4.372 4.120 0.000 0.000 0.278 121 V C -2.248 173.854 176.094 0.014 0.000 1.017 121 V CA -1.884 60.419 62.300 0.005 0.000 0.823 121 V CB 1.545 33.377 31.823 0.015 0.000 1.010 121 V HN 0.220 nan 8.190 nan 0.000 0.443 122 P HA 0.022 nan 4.420 nan 0.000 0.260 122 P C 0.255 177.585 177.300 0.051 0.000 1.185 122 P CA 0.542 63.657 63.100 0.024 0.000 0.763 122 P CB -0.076 31.634 31.700 0.016 0.000 0.776 123 N N -0.468 118.280 118.700 0.080 0.000 2.725 123 N HA -0.204 4.536 4.740 0.000 0.000 0.249 123 N C 0.270 175.864 175.510 0.141 0.000 1.103 123 N CA 0.368 53.489 53.050 0.119 0.000 0.707 123 N CB -1.315 37.216 38.487 0.073 0.000 1.043 123 N HN 0.625 nan 8.380 nan 0.000 0.553 124 A N -0.060 122.856 122.820 0.160 0.000 2.429 124 A HA 0.273 4.593 4.320 0.000 0.000 0.242 124 A C 1.350 179.075 177.584 0.234 0.000 1.088 124 A CA 0.053 52.182 52.037 0.153 0.000 0.784 124 A CB 0.281 19.346 19.000 0.107 0.000 1.038 124 A HN 0.348 nan 8.150 nan 0.000 0.501 125 L N 0.087 121.403 121.223 0.156 0.000 2.509 125 L HA 0.090 4.430 4.340 0.000 0.000 0.222 125 L C 1.107 178.099 176.870 0.204 0.000 1.123 125 L CA 1.021 55.937 54.840 0.126 0.000 0.856 125 L CB -0.665 41.430 42.059 0.060 0.000 0.985 125 L HN 0.900 nan 8.230 nan 0.000 0.456 126 T N -4.670 110.028 114.554 0.240 0.000 2.893 126 T HA 0.287 4.637 4.350 0.000 0.000 0.291 126 T C 0.539 175.335 174.700 0.160 0.000 1.028 126 T CA -0.689 61.543 62.100 0.220 0.000 0.995 126 T CB 2.350 71.281 68.868 0.106 0.000 1.051 126 T HN -0.021 nan 8.240 nan 0.000 0.470 127 M N 0.728 120.390 119.600 0.104 0.000 2.229 127 M HA 0.039 4.519 4.480 0.000 0.000 0.264 127 M C 2.316 178.549 176.300 -0.112 0.000 1.063 127 M CA 1.348 56.535 55.300 -0.188 0.000 1.114 127 M CB -0.206 32.353 32.600 -0.068 0.000 1.387 127 M HN 0.748 nan 8.290 nan 0.000 0.420 128 R N 0.691 121.178 120.500 -0.022 0.000 2.096 128 R HA -0.144 4.196 4.340 0.000 0.000 0.235 128 R C 1.582 177.869 176.300 -0.021 0.000 1.127 128 R CA 2.089 58.181 56.100 -0.015 0.000 0.968 128 R CB -0.305 29.998 30.300 0.005 0.000 0.861 128 R HN 0.525 nan 8.270 nan 0.000 0.440 129 E N -1.032 119.160 120.200 -0.013 0.000 2.112 129 E HA -0.089 4.261 4.350 0.000 0.000 0.190 129 E C 1.851 178.432 176.600 -0.033 0.000 0.979 129 E CA 1.048 57.444 56.400 -0.007 0.000 0.814 129 E CB -0.007 29.706 29.700 0.022 0.000 0.762 129 E HN 0.121 nan 8.360 nan 0.000 0.460 130 V N 1.220 121.082 119.914 -0.087 0.000 2.548 130 V HA -0.051 4.069 4.120 0.000 0.000 0.249 130 V C 0.867 176.893 176.094 -0.113 0.000 1.055 130 V CA 0.838 63.063 62.300 -0.124 0.000 1.065 130 V CB 0.023 31.676 31.823 -0.283 0.000 0.681 130 V HN 0.073 nan 8.190 nan 0.000 0.462 131 L N 0.827 121.993 121.223 -0.096 0.000 2.379 131 L HA 0.403 4.743 4.340 0.000 0.000 0.269 131 L C -2.119 174.745 176.870 -0.010 0.000 1.084 131 L CA -1.964 52.857 54.840 -0.031 0.000 0.802 131 L CB 0.770 42.832 42.059 0.004 0.000 1.175 131 L HN 0.031 nan 8.230 nan 0.000 0.448 132 P HA -0.066 nan 4.420 nan 0.000 0.270 132 P C 0.087 177.380 177.300 -0.012 0.000 1.227 132 P CA -0.107 62.996 63.100 0.005 0.000 0.788 132 P CB 0.469 32.181 31.700 0.020 0.000 0.926 133 Q N 1.130 120.913 119.800 -0.029 0.000 2.135 133 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 133 Q C 2.003 177.955 176.000 -0.080 0.000 0.981 133 Q CA 2.154 57.933 55.803 -0.040 0.000 0.856 133 Q CB -0.990 27.746 28.738 -0.004 0.000 0.902 133 Q HN 0.691 nan 8.270 nan 0.000 0.425 134 G N 0.011 108.720 108.800 -0.152 0.000 2.498 134 G HA2 -0.198 3.762 3.960 0.000 0.000 0.219 134 G HA3 -0.198 3.762 3.960 0.000 0.000 0.219 134 G C 0.618 175.502 174.900 -0.026 0.000 1.119 134 G CA 0.866 45.895 45.100 -0.119 0.000 0.766 134 G HN 0.373 nan 8.290 nan 0.000 0.552 135 D N 0.797 121.198 120.400 0.001 0.000 2.339 135 D HA 0.021 4.661 4.640 0.000 0.000 0.217 135 D C 2.021 178.331 176.300 0.017 0.000 1.050 135 D CA 0.546 54.578 54.000 0.053 0.000 0.856 135 D CB 0.041 40.874 40.800 0.055 0.000 0.922 135 D HN 0.409 nan 8.370 nan 0.000 0.518 136 D N 1.016 121.398 120.400 -0.031 0.000 2.133 136 D HA -0.211 4.429 4.640 0.000 0.000 0.192 136 D C 2.045 178.274 176.300 -0.118 0.000 1.001 136 D CA 1.857 55.830 54.000 -0.045 0.000 0.844 136 D CB -0.931 39.862 40.800 -0.012 0.000 0.944 136 D HN 0.285 nan 8.370 nan 0.000 0.447 137 V N -2.634 117.112 119.914 -0.278 0.000 2.759 137 V HA -0.063 4.057 4.120 0.000 0.000 0.256 137 V C 2.291 178.020 176.094 -0.608 0.000 1.080 137 V CA 1.046 63.057 62.300 -0.480 0.000 1.101 137 V CB -1.170 30.213 31.823 -0.732 0.000 0.698 137 V HN -0.004 nan 8.190 nan 0.000 0.477 138 F N 0.334 120.079 119.950 -0.341 0.000 2.335 138 F HA 0.154 4.681 4.527 0.000 0.000 0.296 138 F C 2.402 178.144 175.800 -0.097 0.000 1.091 138 F CA 1.225 58.985 58.000 -0.400 0.000 1.399 138 F CB -0.711 37.896 39.000 -0.655 0.000 1.067 138 F HN -0.023 nan 8.300 nan 0.000 0.520 139 V N 0.247 120.199 119.914 0.063 0.000 2.295 139 V HA -0.279 3.841 4.120 0.000 0.000 0.246 139 V C 2.096 178.221 176.094 0.052 0.000 1.049 139 V CA 2.033 64.370 62.300 0.062 0.000 1.024 139 V CB -0.637 31.199 31.823 0.023 0.000 0.648 139 V HN 0.317 nan 8.190 nan 0.000 0.447 140 E N 0.305 120.506 120.200 0.000 0.000 2.153 140 E HA -0.126 4.224 4.350 0.000 0.000 0.194 140 E C 2.127 178.741 176.600 0.023 0.000 0.988 140 E CA 1.108 57.505 56.400 -0.005 0.000 0.811 140 E CB -0.347 29.326 29.700 -0.045 0.000 0.746 140 E HN 0.644 nan 8.360 nan 0.000 0.466 141 G N -0.318 108.518 108.800 0.060 0.000 2.985 141 G HA2 0.166 4.126 3.960 0.000 0.000 0.209 141 G HA3 0.166 4.126 3.960 0.000 0.000 0.209 141 G C 0.985 176.020 174.900 0.224 0.000 1.165 141 G CA 0.163 45.360 45.100 0.163 0.000 0.776 141 G HN 0.366 nan 8.290 nan 0.000 0.541 142 G N -1.139 107.774 108.800 0.187 0.000 2.147 142 G HA2 -0.309 3.651 3.960 0.000 0.000 0.244 142 G HA3 -0.309 3.651 3.960 0.000 0.000 0.244 142 G C 0.170 175.148 174.900 0.131 0.000 1.005 142 G CA 0.030 45.202 45.100 0.120 0.000 0.713 142 G HN 0.367 nan 8.290 nan 0.000 0.515 143 Y N -0.437 119.898 120.300 0.058 0.000 2.357 143 Y HA 0.547 5.097 4.550 0.000 0.000 0.340 143 Y C 1.534 177.444 175.900 0.017 0.000 1.260 143 Y CA -0.463 57.665 58.100 0.047 0.000 1.425 143 Y CB 0.516 39.024 38.460 0.079 0.000 1.326 143 Y HN 0.171 nan 8.280 nan 0.000 0.580 144 I N 2.861 123.505 120.570 0.124 0.000 2.396 144 I HA 0.310 4.480 4.170 0.000 0.000 0.292 144 I C -0.161 175.995 176.117 0.066 0.000 0.999 144 I CA -0.732 60.612 61.300 0.073 0.000 1.310 144 I CB 1.256 39.272 38.000 0.026 0.000 1.404 144 I HN 0.401 nan 8.210 nan 0.000 0.496 145 R N 4.949 125.471 120.500 0.037 0.000 2.514 145 R HA 0.697 5.037 4.340 0.000 0.000 0.301 145 R C -1.711 174.568 176.300 -0.034 0.000 0.962 145 R CA -0.490 55.592 56.100 -0.031 0.000 0.882 145 R CB 1.523 31.824 30.300 0.003 0.000 1.143 145 R HN 0.391 nan 8.270 nan 0.000 0.452 146 V N 5.105 124.931 119.914 -0.146 0.000 2.588 146 V HA 0.563 4.683 4.120 0.000 0.000 0.304 146 V C -1.065 174.872 176.094 -0.262 0.000 1.042 146 V CA -0.638 61.604 62.300 -0.097 0.000 0.877 146 V CB 1.678 33.466 31.823 -0.058 0.000 0.996 146 V HN 0.624 nan 8.190 nan 0.000 0.425 147 F N 2.737 122.682 119.950 -0.008 0.000 2.529 147 F HA 0.643 5.170 4.527 0.000 0.000 0.320 147 F C 0.025 175.826 175.800 0.002 0.000 1.118 147 F CA -0.309 57.697 58.000 0.011 0.000 0.915 147 F CB 2.081 41.094 39.000 0.022 0.000 1.161 147 F HN 0.420 nan 8.300 nan 0.000 0.445 148 Q N 2.686 122.604 119.800 0.197 0.000 2.323 148 Q HA 0.287 4.627 4.340 0.000 0.000 0.271 148 Q C -1.705 174.398 176.000 0.171 0.000 1.048 148 Q CA -0.961 54.920 55.803 0.129 0.000 0.792 148 Q CB 1.900 30.673 28.738 0.058 0.000 1.280 148 Q HN 0.485 nan 8.270 nan 0.000 0.441 149 D N 4.163 124.679 120.400 0.194 0.000 2.348 149 D HA 0.180 4.820 4.640 0.000 0.000 0.253 149 D C 0.444 176.832 176.300 0.146 0.000 1.161 149 D CA 0.067 54.175 54.000 0.180 0.000 0.876 149 D CB 0.499 41.435 40.800 0.227 0.000 1.160 149 D HN 0.535 nan 8.370 nan 0.000 0.459 150 I N -0.890 119.761 120.570 0.135 0.000 3.060 150 I HA 0.201 4.371 4.170 0.000 0.000 0.285 150 I C 0.844 177.059 176.117 0.163 0.000 1.190 150 I CA -0.875 60.524 61.300 0.166 0.000 1.363 150 I CB 0.645 38.783 38.000 0.230 0.000 1.396 150 I HN 0.147 nan 8.210 nan 0.000 0.607 151 R N 2.792 123.405 120.500 0.188 0.000 2.485 151 R HA 0.086 4.426 4.340 0.000 0.000 0.304 151 R C 0.995 177.431 176.300 0.226 0.000 0.934 151 R CA 1.327 57.534 56.100 0.179 0.000 1.102 151 R CB -0.364 30.042 30.300 0.176 0.000 0.906 151 R HN 1.157 nan 8.270 nan 0.000 0.407 152 G N 3.049 111.938 108.800 0.148 0.000 2.159 152 G HA2 -0.222 3.738 3.960 0.000 0.000 0.256 152 G HA3 -0.222 3.738 3.960 0.000 0.000 0.256 152 G C -0.431 174.451 174.900 -0.030 0.000 0.977 152 G CA 0.189 45.364 45.100 0.125 0.000 0.652 152 G HN 0.519 nan 8.290 nan 0.000 0.531 153 K N -0.715 119.642 120.400 -0.071 0.000 2.316 153 K HA 0.654 4.974 4.320 0.000 0.000 0.251 153 K C 0.889 177.479 176.600 -0.016 0.000 0.934 153 K CA -0.808 55.368 56.287 -0.184 0.000 0.802 153 K CB 1.572 33.937 32.500 -0.224 0.000 1.171 153 K HN 0.179 nan 8.250 nan 0.000 0.426 154 Y N 0.297 120.518 120.300 -0.132 0.000 2.796 154 Y HA -0.450 4.100 4.550 0.000 0.000 0.472 154 Y C 1.789 177.606 175.900 -0.138 0.000 1.126 154 Y CA 2.119 60.142 58.100 -0.128 0.000 2.780 154 Y CB -1.462 36.922 38.460 -0.127 0.000 1.152 154 Y HN 0.801 nan 8.280 nan 0.000 0.616 155 G N -0.046 108.750 108.800 -0.007 0.000 2.920 155 G HA2 0.234 4.194 3.960 0.000 0.000 0.208 155 G HA3 0.234 4.194 3.960 0.000 0.000 0.208 155 G C 0.156 175.084 174.900 0.047 0.000 1.159 155 G CA 0.737 45.756 45.100 -0.136 0.000 0.784 155 G HN 0.285 nan 8.290 nan 0.000 0.535 156 S N 0.079 115.834 115.700 0.091 0.000 2.610 156 S HA 0.401 4.871 4.470 0.000 0.000 0.273 156 S C 0.264 174.897 174.600 0.055 0.000 1.274 156 S CA -0.547 57.711 58.200 0.097 0.000 1.023 156 S CB 1.567 64.833 63.200 0.111 0.000 0.962 156 S HN 0.427 nan 8.310 nan 0.000 0.523 157 Q N 0.207 120.040 119.800 0.055 0.000 2.189 157 Q HA 0.647 4.987 4.340 0.000 0.000 0.193 157 Q C 0.644 176.678 176.000 0.057 0.000 1.034 157 Q CA -0.302 55.527 55.803 0.043 0.000 1.062 157 Q CB 0.468 29.229 28.738 0.038 0.000 1.118 157 Q HN 0.970 nan 8.270 nan 0.000 0.569 158 G N 0.391 109.223 108.800 0.052 0.000 2.631 158 G HA2 -0.142 3.818 3.960 0.000 0.000 0.504 158 G HA3 -0.142 3.818 3.960 0.000 0.000 0.504 158 G C -1.583 173.364 174.900 0.077 0.000 1.306 158 G CA -0.781 44.359 45.100 0.066 0.000 0.897 158 G HN 0.548 nan 8.290 nan 0.000 0.520 159 D N -0.265 120.187 120.400 0.087 0.000 2.177 159 D HA 0.481 5.121 4.640 0.000 0.000 0.247 159 D C -0.406 175.984 176.300 0.151 0.000 1.063 159 D CA 0.030 54.088 54.000 0.096 0.000 0.867 159 D CB 1.450 42.288 40.800 0.064 0.000 1.168 159 D HN 0.500 nan 8.370 nan 0.000 0.445 160 Y N 1.858 122.178 120.300 0.033 0.000 2.341 160 Y HA 0.389 4.939 4.550 0.000 0.000 0.340 160 Y C -0.886 175.052 175.900 0.063 0.000 0.997 160 Y CA -0.495 57.632 58.100 0.045 0.000 1.149 160 Y CB 0.775 39.243 38.460 0.012 0.000 1.171 160 Y HN 0.051 nan 8.280 nan 0.000 0.494 161 V N 8.295 127.869 119.914 -0.568 0.000 2.444 161 V HA 0.174 4.294 4.120 0.000 0.000 0.294 161 V C -0.039 175.631 176.094 -0.707 0.000 1.022 161 V CA -1.024 61.003 62.300 -0.456 0.000 0.850 161 V CB 1.217 32.966 31.823 -0.122 0.000 0.992 161 V HN 0.890 nan 8.190 nan 0.000 0.426 162 M N 5.748 124.968 119.600 -0.633 0.000 2.290 162 M HA 0.133 4.613 4.480 0.000 0.000 0.356 162 M C 0.941 177.126 176.300 -0.192 0.000 1.448 162 M CA 0.939 55.960 55.300 -0.464 0.000 0.993 162 M CB -0.431 31.628 32.600 -0.901 0.000 1.934 162 M HN 1.163 nan 8.290 nan 0.000 0.461 163 T N 2.716 117.228 114.554 -0.070 0.000 3.219 163 T HA -0.254 4.096 4.350 0.000 0.000 0.433 163 T C 0.083 174.798 174.700 0.025 0.000 0.771 163 T CA 0.946 62.819 62.100 -0.377 0.000 2.178 163 T CB -1.466 67.158 68.868 -0.407 0.000 1.666 163 T HN 0.970 nan 8.240 nan 0.000 0.607 164 R N 2.354 122.964 120.500 0.183 0.000 2.488 164 R HA 0.186 4.526 4.340 0.000 0.000 0.317 164 R C -1.983 174.467 176.300 0.251 0.000 0.941 164 R CA -1.202 55.011 56.100 0.189 0.000 1.076 164 R CB 0.232 30.647 30.300 0.191 0.000 0.917 164 R HN 0.369 nan 8.270 nan 0.000 0.407 165 P HA 0.077 nan 4.420 nan 0.000 0.269 165 P C -2.472 174.896 177.300 0.113 0.000 1.215 165 P CA -1.091 62.075 63.100 0.109 0.000 0.780 165 P CB 0.243 31.939 31.700 -0.006 0.000 0.898 166 P HA 0.051 nan 4.420 nan 0.000 0.274 166 P C -0.361 176.995 177.300 0.094 0.000 1.246 166 P CA -0.074 63.087 63.100 0.101 0.000 0.795 166 P CB 0.165 31.918 31.700 0.088 0.000 1.006 167 H N -0.312 118.775 119.070 0.028 0.000 3.094 167 H HA 0.367 4.923 4.556 0.000 0.000 0.320 167 H C 0.790 176.123 175.328 0.009 0.000 1.000 167 H CA 2.358 58.416 56.048 0.016 0.000 1.413 167 H CB -0.515 29.252 29.762 0.009 0.000 1.405 167 H HN 0.795 nan 8.280 nan 0.000 0.586 168 G N 3.782 112.303 108.800 -0.464 0.000 2.368 168 G HA2 -0.066 3.894 3.960 0.000 0.000 0.269 168 G HA3 -0.066 3.894 3.960 0.000 0.000 0.269 168 G C -2.114 172.643 174.900 -0.238 0.000 1.291 168 G CA -0.365 44.548 45.100 -0.311 0.000 0.903 168 G HN 0.458 nan 8.290 nan 0.000 0.483 169 P HA 0.039 nan 4.420 nan 0.000 0.221 169 P C 1.603 178.850 177.300 -0.088 0.000 1.145 169 P CA 0.984 64.020 63.100 -0.108 0.000 0.795 169 P CB 0.129 31.778 31.700 -0.085 0.000 0.775 170 L N -2.051 119.116 121.223 -0.093 0.000 2.585 170 L HA 0.210 4.550 4.340 0.000 0.000 0.226 170 L C 0.742 177.588 176.870 -0.038 0.000 1.113 170 L CA 0.218 55.018 54.840 -0.066 0.000 0.876 170 L CB -0.301 41.686 42.059 -0.120 0.000 1.072 170 L HN -0.027 nan 8.230 nan 0.000 0.468 171 N N 0.248 118.912 118.700 -0.060 0.000 2.732 171 N HA 0.159 4.899 4.740 0.000 0.000 0.247 171 N C -2.348 173.127 175.510 -0.059 0.000 1.305 171 N CA -1.211 51.828 53.050 -0.020 0.000 0.762 171 N CB 1.359 39.865 38.487 0.030 0.000 1.361 171 N HN -0.234 nan 8.380 nan 0.000 0.545 172 P HA 0.056 nan 4.420 nan 0.000 0.253 172 P C 0.413 177.780 177.300 0.112 0.000 1.260 172 P CA 0.229 63.309 63.100 -0.033 0.000 0.800 172 P CB -0.164 31.522 31.700 -0.023 0.000 1.162 173 T N -2.395 112.239 114.554 0.133 0.000 2.732 173 T HA 0.191 4.541 4.350 0.000 0.000 0.287 173 T C 1.220 176.016 174.700 0.160 0.000 0.993 173 T CA -0.381 61.794 62.100 0.125 0.000 0.966 173 T CB 0.919 69.839 68.868 0.087 0.000 1.047 173 T HN -0.171 nan 8.240 nan 0.000 0.527 174 K N 0.465 120.905 120.400 0.066 0.000 2.426 174 K HA 0.112 4.432 4.320 0.000 0.000 0.193 174 K C 1.095 177.682 176.600 -0.022 0.000 1.028 174 K CA 0.418 56.696 56.287 -0.015 0.000 1.047 174 K CB -0.113 32.372 32.500 -0.024 0.000 0.821 174 K HN 0.909 nan 8.250 nan 0.000 0.513 175 T N -0.432 114.146 114.554 0.039 0.000 2.916 175 T HA 0.529 4.879 4.350 0.000 0.000 0.292 175 T C -0.783 173.970 174.700 0.088 0.000 1.055 175 T CA -0.876 61.253 62.100 0.049 0.000 1.009 175 T CB 2.641 71.543 68.868 0.057 0.000 1.118 175 T HN 0.058 nan 8.240 nan 0.000 0.497 176 D N -0.446 120.010 120.400 0.093 0.000 2.851 176 D HA 0.255 4.895 4.640 0.000 0.000 0.339 176 D C 0.571 176.946 176.300 0.125 0.000 1.347 176 D CA -0.653 53.417 54.000 0.118 0.000 0.888 176 D CB 0.065 40.940 40.800 0.124 0.000 1.431 176 D HN 0.374 nan 8.370 nan 0.000 0.509 177 E N -0.456 119.825 120.200 0.135 0.000 2.204 177 E HA -0.046 4.304 4.350 0.000 0.000 0.194 177 E C 1.566 178.224 176.600 0.096 0.000 0.989 177 E CA 1.370 57.848 56.400 0.129 0.000 0.824 177 E CB -0.384 29.387 29.700 0.118 0.000 0.756 177 E HN 0.576 nan 8.360 nan 0.000 0.477 178 T N 0.791 115.396 114.554 0.084 0.000 2.737 178 T HA -0.127 4.223 4.350 0.000 0.000 0.265 178 T C 2.166 176.962 174.700 0.159 0.000 1.038 178 T CA 2.065 64.227 62.100 0.103 0.000 1.144 178 T CB -0.411 68.508 68.868 0.085 0.000 0.866 178 T HN 0.409 nan 8.240 nan 0.000 0.434 179 T N 0.607 115.234 114.554 0.123 0.000 2.857 179 T HA -0.105 4.245 4.350 0.000 0.000 0.266 179 T C 1.566 176.384 174.700 0.198 0.000 1.048 179 T CA 1.162 63.341 62.100 0.132 0.000 1.139 179 T CB -0.470 68.419 68.868 0.035 0.000 0.874 179 T HN 0.116 nan 8.240 nan 0.000 0.455 180 D N 1.993 122.487 120.400 0.156 0.000 2.144 180 D HA 0.071 4.711 4.640 0.000 0.000 0.199 180 D C 2.415 178.810 176.300 0.158 0.000 0.984 180 D CA 1.419 55.508 54.000 0.148 0.000 0.834 180 D CB -0.598 40.282 40.800 0.133 0.000 0.955 180 D HN 0.589 nan 8.370 nan 0.000 0.465 181 A N -0.345 122.574 122.820 0.164 0.000 1.897 181 A HA -0.120 4.200 4.320 0.000 0.000 0.215 181 A C 2.170 179.852 177.584 0.164 0.000 1.181 181 A CA 1.009 53.127 52.037 0.135 0.000 0.620 181 A CB -1.128 17.940 19.000 0.113 0.000 0.821 181 A HN 0.365 nan 8.150 nan 0.000 0.443 182 W N 1.228 122.570 121.300 0.071 0.000 2.354 182 W HA -0.179 4.481 4.660 0.000 0.000 0.315 182 W C 1.456 178.036 176.519 0.101 0.000 1.206 182 W CA 1.918 59.334 57.345 0.118 0.000 1.290 182 W CB 0.046 29.582 29.460 0.128 0.000 1.152 182 W HN 0.370 nan 8.180 nan 0.000 0.489 183 D N -0.938 119.764 120.400 0.504 0.000 2.178 183 D HA -0.158 4.482 4.640 0.000 0.000 0.201 183 D C 2.102 178.513 176.300 0.185 0.000 0.980 183 D CA 1.998 56.224 54.000 0.377 0.000 0.842 183 D CB -0.800 40.171 40.800 0.285 0.000 0.948 183 D HN 0.155 nan 8.370 nan 0.000 0.472 184 T N 0.489 115.111 114.554 0.112 0.000 2.737 184 T HA -0.072 4.278 4.350 0.000 0.000 0.265 184 T C 2.270 176.978 174.700 0.013 0.000 1.038 184 T CA 0.681 62.819 62.100 0.062 0.000 1.144 184 T CB -0.257 68.630 68.868 0.031 0.000 0.866 184 T HN -0.029 nan 8.240 nan 0.000 0.434 185 V N 1.737 121.564 119.914 -0.144 0.000 2.407 185 V HA -0.168 3.952 4.120 0.000 0.000 0.248 185 V C 2.338 178.108 176.094 -0.540 0.000 1.055 185 V CA 1.843 63.937 62.300 -0.344 0.000 1.049 185 V CB -0.617 30.923 31.823 -0.473 0.000 0.662 185 V HN 0.459 nan 8.190 nan 0.000 0.455 186 D N -1.213 118.809 120.400 -0.630 0.000 2.097 186 D HA -0.253 4.387 4.640 0.000 0.000 0.195 186 D C 1.864 178.180 176.300 0.028 0.000 0.989 186 D CA 1.547 55.313 54.000 -0.390 0.000 0.827 186 D CB -0.214 40.535 40.800 -0.086 0.000 0.966 186 D HN 0.551 nan 8.370 nan 0.000 0.456 187 W N 0.582 121.843 121.300 -0.065 0.000 2.363 187 W HA -0.079 4.581 4.660 0.000 0.000 0.296 187 W C 1.894 178.399 176.519 -0.022 0.000 1.212 187 W CA 1.113 58.458 57.345 -0.001 0.000 1.260 187 W CB -0.208 29.251 29.460 -0.002 0.000 1.131 187 W HN 0.013 nan 8.180 nan 0.000 0.530 188 L N 0.166 121.523 121.223 0.223 0.000 2.046 188 L HA -0.221 4.119 4.340 0.000 0.000 0.208 188 L C 2.489 179.270 176.870 -0.149 0.000 1.077 188 L CA 1.545 56.431 54.840 0.077 0.000 0.747 188 L CB -1.346 40.757 42.059 0.074 0.000 0.896 188 L HN 0.055 nan 8.230 nan 0.000 0.432 189 V N -4.050 115.744 119.914 -0.199 0.000 2.970 189 V HA -0.190 3.930 4.120 0.000 0.000 0.260 189 V C 1.594 177.436 176.094 -0.419 0.000 1.100 189 V CA 1.442 63.564 62.300 -0.297 0.000 1.122 189 V CB -0.921 30.707 31.823 -0.325 0.000 0.721 189 V HN 0.460 nan 8.190 nan 0.000 0.483 190 H N 0.334 119.247 119.070 -0.262 0.000 2.586 190 H HA 0.372 4.928 4.556 0.000 0.000 0.273 190 H C 0.895 175.972 175.328 -0.417 0.000 0.997 190 H CA 0.706 56.586 56.048 -0.280 0.000 1.177 190 H CB 0.218 29.840 29.762 -0.234 0.000 1.471 190 H HN 0.535 nan 8.280 nan 0.000 0.538 191 N N -0.368 118.024 118.700 -0.513 0.000 2.240 191 N HA 0.165 4.905 4.740 0.000 0.000 0.240 191 N C -1.240 174.003 175.510 -0.444 0.000 1.277 191 N CA 0.081 52.714 53.050 -0.695 0.000 0.873 191 N CB 2.220 39.683 38.487 -1.707 0.000 1.222 191 N HN -0.106 nan 8.380 nan 0.000 0.507 192 V N 1.706 121.460 119.914 -0.266 0.000 2.383 192 V HA 0.266 4.386 4.120 0.000 0.000 0.264 192 V C -1.850 174.177 176.094 -0.113 0.000 1.001 192 V CA -1.156 61.064 62.300 -0.133 0.000 0.828 192 V CB 1.560 33.339 31.823 -0.072 0.000 1.069 192 V HN -0.032 nan 8.190 nan 0.000 0.451 193 P HA -0.129 nan 4.420 nan 0.000 0.217 193 P C 1.163 178.424 177.300 -0.065 0.000 1.148 193 P CA 1.121 64.174 63.100 -0.080 0.000 0.828 193 P CB 0.453 32.117 31.700 -0.061 0.000 0.783 194 E N -0.449 119.720 120.200 -0.051 0.000 2.418 194 E HA -0.030 4.320 4.350 0.000 0.000 0.197 194 E C 0.969 177.535 176.600 -0.057 0.000 1.026 194 E CA 0.311 56.686 56.400 -0.042 0.000 0.862 194 E CB -0.419 29.269 29.700 -0.020 0.000 0.799 194 E HN 0.342 nan 8.360 nan 0.000 0.518 195 S N 0.801 116.458 115.700 -0.072 0.000 2.693 195 S HA 0.168 4.638 4.470 0.000 0.000 0.276 195 S C 0.768 175.306 174.600 -0.103 0.000 1.192 195 S CA -0.621 57.525 58.200 -0.089 0.000 0.994 195 S CB 0.928 64.073 63.200 -0.093 0.000 1.012 195 S HN 0.168 nan 8.310 nan 0.000 0.550 196 N N -0.382 118.250 118.700 -0.114 0.000 2.230 196 N HA 0.214 4.954 4.740 0.000 0.000 0.202 196 N C 1.103 176.542 175.510 -0.120 0.000 1.119 196 N CA 0.341 53.324 53.050 -0.112 0.000 0.851 196 N CB -0.274 38.146 38.487 -0.112 0.000 0.990 196 N HN 1.367 nan 8.380 nan 0.000 0.497 197 G N 0.449 109.169 108.800 -0.133 0.000 2.148 197 G HA2 -0.271 3.689 3.960 0.000 0.000 0.254 197 G HA3 -0.271 3.689 3.960 0.000 0.000 0.254 197 G C -0.506 174.317 174.900 -0.130 0.000 0.981 197 G CA -0.093 44.916 45.100 -0.150 0.000 0.670 197 G HN 0.417 nan 8.290 nan 0.000 0.528 198 R N -0.083 120.346 120.500 -0.118 0.000 2.387 198 R HA 0.634 4.974 4.340 0.000 0.000 0.314 198 R C -0.557 175.680 176.300 -0.106 0.000 0.958 198 R CA -0.626 55.410 56.100 -0.107 0.000 0.846 198 R CB 2.217 32.455 30.300 -0.102 0.000 1.147 198 R HN 0.154 nan 8.270 nan 0.000 0.447 199 V N 1.337 121.187 119.914 -0.107 0.000 2.555 199 V HA 0.667 4.787 4.120 0.000 0.000 0.302 199 V C 0.476 176.497 176.094 -0.122 0.000 1.038 199 V CA -0.835 61.406 62.300 -0.099 0.000 0.887 199 V CB 2.124 33.881 31.823 -0.110 0.000 0.991 199 V HN 0.921 nan 8.190 nan 0.000 0.434 200 G N 3.552 112.297 108.800 -0.090 0.000 2.452 200 G HA2 0.737 4.697 3.960 0.000 0.000 0.324 200 G HA3 0.737 4.697 3.960 0.000 0.000 0.324 200 G C -1.027 173.880 174.900 0.010 0.000 1.214 200 G CA -0.704 44.298 45.100 -0.163 0.000 0.947 200 G HN 0.527 nan 8.290 nan 0.000 0.478 201 M N 1.020 120.647 119.600 0.045 0.000 2.528 201 M HA 0.624 5.104 4.480 0.000 0.000 0.321 201 M C -0.090 176.326 176.300 0.194 0.000 1.153 201 M CA -0.550 54.797 55.300 0.077 0.000 0.951 201 M CB 2.743 35.354 32.600 0.018 0.000 1.705 201 M HN 0.609 nan 8.290 nan 0.000 0.451 202 T N 0.766 115.381 114.554 0.102 0.000 2.739 202 T HA 0.876 5.226 4.350 0.000 0.000 0.303 202 T C -1.396 173.341 174.700 0.062 0.000 1.389 202 T CA 0.047 62.213 62.100 0.110 0.000 1.001 202 T CB 2.066 71.030 68.868 0.160 0.000 1.436 202 T HN 1.048 nan 8.240 nan 0.000 0.500 203 G N 0.818 109.668 108.800 0.082 0.000 2.329 203 G HA2 0.419 4.379 3.960 0.000 0.000 0.308 203 G HA3 0.419 4.379 3.960 0.000 0.000 0.308 203 G C -1.238 173.743 174.900 0.135 0.000 1.587 203 G CA 0.076 45.249 45.100 0.122 0.000 0.978 203 G HN 0.809 nan 8.290 nan 0.000 0.685 204 S N -0.048 115.749 115.700 0.161 0.000 2.537 204 S HA 0.850 5.320 4.470 0.000 0.000 0.301 204 S C 1.030 175.789 174.600 0.266 0.000 1.092 204 S CA 1.295 59.581 58.200 0.142 0.000 1.048 204 S CB 1.432 64.647 63.200 0.025 0.000 1.053 204 S HN 2.440 nan 8.310 nan 0.000 0.501 205 S N 2.174 118.056 115.700 0.304 0.000 4.140 205 S HA -0.322 4.148 4.470 0.000 0.000 0.618 205 S C 0.876 175.750 174.600 0.456 0.000 1.896 205 S CA 1.529 60.010 58.200 0.469 0.000 4.240 205 S CB -1.927 61.648 63.200 0.626 0.000 0.208 205 S HN 0.981 nan 8.310 nan 0.000 0.487 206 Y N 2.354 122.908 120.300 0.425 0.000 2.293 206 Y HA 0.011 4.561 4.550 0.000 0.000 0.291 206 Y C 2.458 178.593 175.900 0.391 0.000 1.137 206 Y CA 2.119 60.443 58.100 0.373 0.000 1.202 206 Y CB -0.154 38.477 38.460 0.286 0.000 0.990 206 Y HN 0.589 nan 8.280 nan 0.000 0.537 207 E N -0.949 119.590 120.200 0.565 0.000 2.268 207 E HA -0.150 4.200 4.350 0.000 0.000 0.195 207 E C 2.237 179.022 176.600 0.308 0.000 0.995 207 E CA 0.751 57.396 56.400 0.409 0.000 0.836 207 E CB -0.233 29.682 29.700 0.358 0.000 0.763 207 E HN 0.615 nan 8.360 nan 0.000 0.491 208 G N 0.769 109.753 108.800 0.307 0.000 2.426 208 G HA2 -0.219 3.741 3.960 0.000 0.000 0.214 208 G HA3 -0.219 3.741 3.960 0.000 0.000 0.214 208 G C 1.305 176.353 174.900 0.247 0.000 1.156 208 G CA -0.000 45.238 45.100 0.230 0.000 0.802 208 G HN 0.270 nan 8.290 nan 0.000 0.534 209 F N 3.143 123.186 119.950 0.155 0.000 2.161 209 F HA -0.188 4.339 4.527 0.000 0.000 0.300 209 F C 2.846 178.720 175.800 0.124 0.000 1.089 209 F CA 2.388 60.448 58.000 0.099 0.000 1.282 209 F CB -0.490 38.468 39.000 -0.071 0.000 1.010 209 F HN 0.196 nan 8.300 nan 0.000 0.485 210 T N -2.244 112.369 114.554 0.100 0.000 2.915 210 T HA -0.096 4.254 4.350 0.000 0.000 0.269 210 T C 1.947 176.633 174.700 -0.023 0.000 1.071 210 T CA 1.309 63.415 62.100 0.010 0.000 1.132 210 T CB -1.158 67.846 68.868 0.228 0.000 0.878 210 T HN 0.174 nan 8.240 nan 0.000 0.479 211 V N 1.402 121.331 119.914 0.024 0.000 2.307 211 V HA -0.110 4.010 4.120 0.000 0.000 0.245 211 V C 2.941 179.018 176.094 -0.028 0.000 1.045 211 V CA 1.302 63.602 62.300 0.001 0.000 1.024 211 V CB -0.741 31.082 31.823 0.000 0.000 0.651 211 V HN 0.379 nan 8.190 nan 0.000 0.449 212 V N -0.375 119.529 119.914 -0.018 0.000 2.287 212 V HA -0.324 3.796 4.120 0.000 0.000 0.248 212 V C 2.567 178.649 176.094 -0.020 0.000 1.053 212 V CA 2.029 64.355 62.300 0.043 0.000 1.027 212 V CB -0.667 31.250 31.823 0.157 0.000 0.646 212 V HN 0.411 nan 8.190 nan 0.000 0.447 213 M N -0.213 119.279 119.600 -0.181 0.000 2.149 213 M HA -0.151 4.329 4.480 0.000 0.000 0.261 213 M C 2.415 178.698 176.300 -0.029 0.000 1.064 213 M CA 2.219 57.420 55.300 -0.166 0.000 1.102 213 M CB -1.473 30.925 32.600 -0.336 0.000 1.369 213 M HN 0.435 nan 8.290 nan 0.000 0.408 214 A N 0.280 123.095 122.820 -0.009 0.000 1.902 214 A HA -0.121 4.199 4.320 0.000 0.000 0.217 214 A C 2.234 179.859 177.584 0.069 0.000 1.181 214 A CA 1.233 53.301 52.037 0.051 0.000 0.623 214 A CB -0.959 18.064 19.000 0.039 0.000 0.818 214 A HN 0.489 nan 8.150 nan 0.000 0.443 215 L N -0.227 121.027 121.223 0.051 0.000 2.353 215 L HA -0.142 4.198 4.340 0.000 0.000 0.220 215 L C 2.165 179.093 176.870 0.095 0.000 1.133 215 L CA 0.395 55.278 54.840 0.073 0.000 0.798 215 L CB -0.464 41.646 42.059 0.085 0.000 0.922 215 L HN 0.403 nan 8.230 nan 0.000 0.445 216 L N -0.742 120.535 121.223 0.089 0.000 2.191 216 L HA -0.104 4.236 4.340 0.000 0.000 0.212 216 L C 0.399 177.325 176.870 0.095 0.000 1.103 216 L CA 0.903 55.797 54.840 0.090 0.000 0.769 216 L CB -0.165 41.940 42.059 0.076 0.000 0.908 216 L HN 0.246 nan 8.230 nan 0.000 0.438 217 D N -0.656 119.816 120.400 0.120 0.000 2.826 217 D HA 0.158 4.798 4.640 0.000 0.000 0.239 217 D C -2.661 173.794 176.300 0.259 0.000 1.329 217 D CA -1.278 52.814 54.000 0.154 0.000 0.854 217 D CB 1.089 41.955 40.800 0.110 0.000 1.494 217 D HN -0.152 nan 8.370 nan 0.000 0.540 218 P HA 0.146 nan 4.420 nan 0.000 0.280 218 P C -0.010 177.389 177.300 0.166 0.000 1.244 218 P CA -0.286 62.914 63.100 0.167 0.000 0.784 218 P CB 0.698 32.441 31.700 0.071 0.000 0.913 219 H N 5.564 124.564 119.070 -0.117 0.000 2.815 219 H HA 0.035 4.591 4.556 0.000 0.000 0.350 219 H C -1.167 174.034 175.328 -0.212 0.000 1.080 219 H CA -0.967 54.804 56.048 -0.461 0.000 1.433 219 H CB 0.784 30.043 29.762 -0.838 0.000 1.432 219 H HN 0.258 nan 8.280 nan 0.000 0.592 220 P HA -0.112 nan 4.420 nan 0.000 0.223 220 P C 0.779 178.049 177.300 -0.049 0.000 1.144 220 P CA 1.343 64.342 63.100 -0.168 0.000 0.783 220 P CB 0.022 31.595 31.700 -0.210 0.000 0.771 221 A N -0.758 122.138 122.820 0.126 0.000 2.169 221 A HA 0.042 4.362 4.320 0.000 0.000 0.212 221 A C 1.147 178.711 177.584 -0.033 0.000 1.153 221 A CA 0.026 52.096 52.037 0.054 0.000 0.756 221 A CB -0.870 18.163 19.000 0.056 0.000 0.813 221 A HN 0.187 nan 8.150 nan 0.000 0.471 222 L N 0.747 121.951 121.223 -0.032 0.000 2.385 222 L HA 0.251 4.591 4.340 0.000 0.000 0.285 222 L C 0.701 177.501 176.870 -0.117 0.000 1.125 222 L CA 0.074 54.864 54.840 -0.083 0.000 0.890 222 L CB 0.256 42.280 42.059 -0.059 0.000 1.251 222 L HN 0.003 nan 8.230 nan 0.000 0.445 223 K N 3.525 123.829 120.400 -0.159 0.000 2.356 223 K HA 0.285 4.605 4.320 0.000 0.000 0.195 223 K C -0.071 176.317 176.600 -0.353 0.000 1.037 223 K CA 0.362 56.529 56.287 -0.201 0.000 1.014 223 K CB 0.428 32.847 32.500 -0.136 0.000 0.815 223 K HN 0.401 nan 8.250 nan 0.000 0.507 224 V N -0.647 119.026 119.914 -0.402 0.000 3.147 224 V HA 0.683 4.803 4.120 0.000 0.000 0.299 224 V C -1.990 173.866 176.094 -0.396 0.000 1.302 224 V CA -0.761 61.221 62.300 -0.531 0.000 1.015 224 V CB 2.225 33.553 31.823 -0.825 0.000 1.086 224 V HN 0.169 nan 8.190 nan 0.000 0.437 225 A N 3.583 126.310 122.820 -0.154 0.000 2.515 225 A HA 1.052 5.372 4.320 0.000 0.000 0.296 225 A C -0.519 177.192 177.584 0.211 0.000 1.094 225 A CA -0.201 51.852 52.037 0.026 0.000 0.718 225 A CB 2.146 21.094 19.000 -0.085 0.000 1.307 225 A HN 2.314 nan 8.150 nan 0.000 0.408 226 A N 1.689 124.615 122.820 0.177 0.000 3.158 226 A HA 0.680 5.000 4.320 0.000 0.000 0.302 226 A C -3.162 174.344 177.584 -0.130 0.000 1.162 226 A CA -1.147 50.883 52.037 -0.011 0.000 0.824 226 A CB 0.391 19.345 19.000 -0.077 0.000 1.322 226 A HN 0.401 nan 8.150 nan 0.000 0.510 227 P HA 0.351 nan 4.420 nan 0.000 0.276 227 P C -0.510 176.773 177.300 -0.029 0.000 1.243 227 P CA 0.434 63.452 63.100 -0.138 0.000 0.768 227 P CB 0.771 32.311 31.700 -0.266 0.000 0.856 228 E N 1.453 121.673 120.200 0.034 0.000 2.145 228 E HA 0.277 4.627 4.350 0.000 0.000 0.270 228 E C -0.148 176.526 176.600 0.123 0.000 0.906 228 E CA -0.700 55.723 56.400 0.039 0.000 0.761 228 E CB 0.687 30.372 29.700 -0.024 0.000 1.116 228 E HN 0.240 nan 8.360 nan 0.000 0.408 229 S N 2.561 118.359 115.700 0.164 0.000 3.378 229 S HA -0.140 4.330 4.470 0.000 0.000 0.365 229 S C -2.155 172.632 174.600 0.312 0.000 0.951 229 S CA 0.243 58.593 58.200 0.250 0.000 1.274 229 S CB -1.486 61.859 63.200 0.243 0.000 0.915 229 S HN 0.477 nan 8.310 nan 0.000 0.513 230 P HA 0.276 nan 4.420 nan 0.000 0.276 230 P C -0.141 177.339 177.300 0.301 0.000 1.244 230 P CA -0.693 62.603 63.100 0.326 0.000 0.801 230 P CB 0.567 32.486 31.700 0.365 0.000 1.006 231 M N 2.147 121.913 119.600 0.276 0.000 2.193 231 M HA 0.103 4.583 4.480 0.000 0.000 0.342 231 M C 0.763 177.240 176.300 0.294 0.000 1.413 231 M CA -0.115 55.285 55.300 0.168 0.000 1.191 231 M CB 0.489 33.072 32.600 -0.028 0.000 1.633 231 M HN 0.115 nan 8.290 nan 0.000 0.458 232 V N 0.227 120.300 119.914 0.264 0.000 2.996 232 V HA 0.150 4.270 4.120 0.000 0.000 0.235 232 V C 0.114 176.369 176.094 0.269 0.000 1.205 232 V CA 0.701 63.188 62.300 0.312 0.000 1.225 232 V CB 0.558 32.582 31.823 0.335 0.000 0.995 232 V HN 0.751 nan 8.190 nan 0.000 0.484 233 D N 0.142 120.651 120.400 0.183 0.000 2.358 233 D HA 0.323 4.963 4.640 0.000 0.000 0.253 233 D C 0.988 177.257 176.300 -0.052 0.000 1.288 233 D CA 0.361 54.408 54.000 0.079 0.000 0.950 233 D CB 1.586 42.335 40.800 -0.085 0.000 1.197 233 D HN 0.173 nan 8.370 nan 0.000 0.550 234 G N 1.778 110.637 108.800 0.099 0.000 2.498 234 G HA2 -0.230 3.731 3.960 0.000 0.000 0.219 234 G HA3 -0.230 3.731 3.960 0.000 0.000 0.219 234 G C 1.050 175.958 174.900 0.014 0.000 1.119 234 G CA 0.209 45.305 45.100 -0.007 0.000 0.766 234 G HN 0.541 nan 8.290 nan 0.000 0.552 235 W N -0.249 120.889 121.300 -0.269 0.000 2.699 235 W HA 0.276 4.936 4.660 0.000 0.000 0.267 235 W C 2.375 178.503 176.519 -0.651 0.000 1.182 235 W CA 0.101 57.180 57.345 -0.442 0.000 1.453 235 W CB 0.271 29.362 29.460 -0.616 0.000 1.054 235 W HN -0.040 nan 8.180 nan 0.000 0.595 236 M N -0.339 118.903 119.600 -0.597 0.000 2.099 236 M HA 0.135 4.615 4.480 0.000 0.000 0.262 236 M C 1.506 176.878 176.300 -1.546 0.000 1.067 236 M CA 1.953 56.451 55.300 -1.336 0.000 1.124 236 M CB -1.363 30.026 32.600 -2.019 0.000 1.353 236 M HN 0.235 nan 8.290 nan 0.000 0.410 237 G N -0.993 107.068 108.800 -1.231 0.000 5.371 237 G HA2 0.120 4.080 3.960 0.000 0.000 0.208 237 G HA3 0.120 4.080 3.960 0.000 0.000 0.208 237 G C -0.255 174.369 174.900 -0.460 0.000 0.815 237 G CA -0.394 44.134 45.100 -0.954 0.000 0.735 237 G HN 0.201 nan 8.290 nan 0.000 0.284 238 D N 0.027 120.271 120.400 -0.259 0.000 2.871 238 D HA 0.168 4.808 4.640 0.000 0.000 0.223 238 D C 0.873 177.075 176.300 -0.164 0.000 1.225 238 D CA -0.277 53.656 54.000 -0.111 0.000 1.188 238 D CB 0.654 41.389 40.800 -0.109 0.000 1.105 238 D HN -0.117 nan 8.370 nan 0.000 0.444 239 D N -0.476 119.643 120.400 -0.468 0.000 2.162 239 D HA -0.039 4.601 4.640 0.000 0.000 0.203 239 D C 2.171 178.127 176.300 -0.572 0.000 0.967 239 D CA 0.788 54.374 54.000 -0.691 0.000 0.840 239 D CB 0.105 40.168 40.800 -1.228 0.000 0.972 239 D HN 0.405 nan 8.370 nan 0.000 0.482 240 W N -0.146 121.088 121.300 -0.110 0.000 2.481 240 W HA 0.112 4.772 4.660 0.000 0.000 0.293 240 W C 0.574 176.730 176.519 -0.606 0.000 1.201 240 W CA -0.434 56.751 57.345 -0.267 0.000 1.328 240 W CB 0.024 29.494 29.460 0.017 0.000 1.112 240 W HN -0.224 nan 8.180 nan 0.000 0.546 241 F N -1.556 118.369 119.950 -0.043 0.000 2.629 241 F HA 0.416 4.943 4.527 0.000 0.000 0.316 241 F C -0.335 175.358 175.800 -0.178 0.000 1.081 241 F CA -1.366 56.508 58.000 -0.211 0.000 0.954 241 F CB 1.239 39.789 39.000 -0.750 0.000 1.337 241 F HN -0.303 nan 8.300 nan 0.000 0.474 242 H N 1.393 120.380 119.070 -0.139 0.000 2.860 242 H HA 0.214 4.770 4.556 0.000 0.000 0.312 242 H C -1.127 173.964 175.328 -0.396 0.000 0.995 242 H CA -0.853 55.038 56.048 -0.263 0.000 1.311 242 H CB 0.788 30.568 29.762 0.029 0.000 1.478 242 H HN 0.668 nan 8.280 nan 0.000 0.508 243 Y N 1.838 121.775 120.300 -0.605 0.000 3.225 243 Y HA -0.309 4.241 4.550 0.000 0.000 0.211 243 Y C 1.562 176.904 175.900 -0.930 0.000 1.223 243 Y CA 1.461 59.110 58.100 -0.750 0.000 1.284 243 Y CB -1.776 36.411 38.460 -0.454 0.000 1.367 243 Y HN 1.136 nan 8.280 nan 0.000 0.566 244 G N -2.127 105.763 108.800 -1.518 0.000 2.225 244 G HA2 -0.061 3.899 3.960 0.000 0.000 0.254 244 G HA3 -0.061 3.899 3.960 0.000 0.000 0.254 244 G C 0.374 175.169 174.900 -0.176 0.000 0.988 244 G CA -0.125 44.257 45.100 -1.196 0.000 0.625 244 G HN 1.581 nan 8.290 nan 0.000 0.527 245 A N 0.412 123.202 122.820 -0.050 0.000 2.302 245 A HA 0.655 4.975 4.320 0.000 0.000 0.295 245 A C -0.151 177.663 177.584 0.384 0.000 1.235 245 A CA -0.342 51.796 52.037 0.168 0.000 0.876 245 A CB 0.217 19.198 19.000 -0.032 0.000 1.133 245 A HN 1.250 nan 8.150 nan 0.000 0.533 246 F N 2.961 123.032 119.950 0.201 0.000 2.456 246 F HA 0.382 4.909 4.527 0.000 0.000 0.358 246 F C 0.745 176.445 175.800 -0.166 0.000 1.095 246 F CA -0.253 57.690 58.000 -0.096 0.000 1.216 246 F CB 0.691 39.665 39.000 -0.042 0.000 1.125 246 F HN 0.566 nan 8.300 nan 0.000 0.549 247 R N 5.931 125.698 120.500 -1.222 0.000 2.205 247 R HA 0.130 4.470 4.340 0.000 0.000 0.342 247 R C 0.958 176.219 176.300 -1.731 0.000 1.058 247 R CA -0.273 55.038 56.100 -1.315 0.000 0.904 247 R CB 0.735 30.440 30.300 -0.993 0.000 1.089 247 R HN 0.776 nan 8.270 nan 0.000 0.471 248 Q N 1.351 120.310 119.800 -1.401 0.000 2.437 248 Q HA -0.088 4.252 4.340 0.000 0.000 0.210 248 Q C 1.711 176.789 176.000 -1.536 0.000 0.972 248 Q CA 1.155 56.154 55.803 -1.340 0.000 0.903 248 Q CB 0.230 28.288 28.738 -1.133 0.000 0.967 248 Q HN 0.857 nan 8.270 nan 0.000 0.486 249 G N 0.782 108.461 108.800 -1.868 0.000 2.598 249 G HA2 -0.077 3.883 3.960 0.000 0.000 0.215 249 G HA3 -0.077 3.883 3.960 0.000 0.000 0.215 249 G C 1.447 175.681 174.900 -1.109 0.000 1.131 249 G CA 0.603 44.509 45.100 -1.989 0.000 0.785 249 G HN 0.385 nan 8.290 nan 0.000 0.539 250 A N 0.821 123.006 122.820 -1.059 0.000 1.978 250 A HA 0.062 4.382 4.320 0.000 0.000 0.220 250 A C 2.015 178.947 177.584 -1.087 0.000 1.170 250 A CA 1.217 52.716 52.037 -0.898 0.000 0.636 250 A CB -0.494 18.039 19.000 -0.778 0.000 0.810 250 A HN 0.260 nan 8.150 nan 0.000 0.448 251 F N 0.829 120.377 119.950 -0.670 0.000 2.095 251 F HA -0.190 4.337 4.527 0.000 0.000 0.298 251 F C 2.188 177.818 175.800 -0.284 0.000 1.104 251 F CA 1.344 59.095 58.000 -0.415 0.000 1.232 251 F CB -0.944 37.994 39.000 -0.104 0.000 0.987 251 F HN 0.230 nan 8.300 nan 0.000 0.475 252 D N -1.187 119.172 120.400 -0.069 0.000 2.123 252 D HA -0.246 4.394 4.640 0.000 0.000 0.196 252 D C 2.163 178.451 176.300 -0.019 0.000 0.992 252 D CA 1.316 55.293 54.000 -0.039 0.000 0.833 252 D CB -0.739 40.017 40.800 -0.073 0.000 0.954 252 D HN 0.348 nan 8.370 nan 0.000 0.455 253 Y N 0.588 120.772 120.300 -0.193 0.000 2.145 253 Y HA -0.241 4.309 4.550 0.000 0.000 0.286 253 Y C 2.259 178.240 175.900 0.135 0.000 1.145 253 Y CA 1.570 59.649 58.100 -0.036 0.000 1.148 253 Y CB -0.521 37.923 38.460 -0.025 0.000 0.981 253 Y HN -0.079 nan 8.280 nan 0.000 0.507 254 F N -1.278 118.773 119.950 0.169 0.000 2.069 254 F HA -0.309 4.218 4.527 0.000 0.000 0.298 254 F C 2.299 178.063 175.800 -0.061 0.000 1.113 254 F CA 1.085 59.127 58.000 0.071 0.000 1.214 254 F CB -0.759 38.281 39.000 0.067 0.000 0.978 254 F HN -0.132 nan 8.300 nan 0.000 0.474 255 V N -0.933 119.007 119.914 0.042 0.000 2.515 255 V HA -0.266 3.854 4.120 0.000 0.000 0.250 255 V C 2.353 178.478 176.094 0.050 0.000 1.058 255 V CA 1.927 64.210 62.300 -0.029 0.000 1.064 255 V CB -0.594 31.178 31.823 -0.086 0.000 0.675 255 V HN 0.372 nan 8.190 nan 0.000 0.461 256 S N -0.867 114.835 115.700 0.003 0.000 2.406 256 S HA -0.166 4.304 4.470 0.000 0.000 0.228 256 S C 1.905 176.470 174.600 -0.057 0.000 1.020 256 S CA 1.194 59.380 58.200 -0.023 0.000 0.965 256 S CB -0.054 63.122 63.200 -0.040 0.000 0.798 256 S HN 0.593 nan 8.310 nan 0.000 0.488 257 Q N -0.551 119.181 119.800 -0.113 0.000 2.378 257 Q HA 0.343 4.683 4.340 0.000 0.000 0.216 257 Q C 0.987 176.964 176.000 -0.038 0.000 0.892 257 Q CA 0.362 56.072 55.803 -0.155 0.000 0.931 257 Q CB 0.329 28.859 28.738 -0.346 0.000 1.086 257 Q HN 0.568 nan 8.270 nan 0.000 0.528 258 M N -0.678 119.002 119.600 0.133 0.000 2.416 258 M HA 0.133 4.613 4.480 0.000 0.000 0.337 258 M C 0.920 177.381 176.300 0.270 0.000 1.074 258 M CA 0.117 55.568 55.300 0.253 0.000 0.968 258 M CB 0.833 33.672 32.600 0.399 0.000 1.472 258 M HN -0.129 nan 8.290 nan 0.000 0.539 259 T N 0.967 115.652 114.554 0.219 0.000 2.896 259 T HA 0.232 4.582 4.350 0.000 0.000 0.263 259 T C 0.726 175.428 174.700 0.004 0.000 1.050 259 T CA 0.942 63.135 62.100 0.154 0.000 1.140 259 T CB 0.207 69.171 68.868 0.160 0.000 0.877 259 T HN 0.461 nan 8.240 nan 0.000 0.457 260 A N -0.116 122.677 122.820 -0.045 0.000 2.593 260 A HA 0.693 5.013 4.320 0.000 0.000 0.290 260 A C 0.847 178.318 177.584 -0.188 0.000 1.126 260 A CA -0.686 51.288 52.037 -0.105 0.000 0.695 260 A CB 0.931 19.865 19.000 -0.110 0.000 1.290 260 A HN 0.067 nan 8.150 nan 0.000 0.414 261 R N -0.087 120.295 120.500 -0.196 0.000 2.091 261 R HA -0.075 4.265 4.340 0.000 0.000 0.238 261 R C 1.196 177.182 176.300 -0.524 0.000 1.136 261 R CA 2.200 58.140 56.100 -0.266 0.000 0.959 261 R CB -0.344 29.850 30.300 -0.176 0.000 0.856 261 R HN 0.859 nan 8.270 nan 0.000 0.437 262 G N -1.001 107.481 108.800 -0.530 0.000 3.022 262 G HA2 0.377 4.337 3.960 0.000 0.000 0.157 262 G HA3 0.377 4.337 3.960 0.000 0.000 0.157 262 G C -0.387 174.083 174.900 -0.717 0.000 1.468 262 G CA -0.196 44.369 45.100 -0.892 0.000 1.058 262 G HN 0.391 nan 8.290 nan 0.000 0.581 263 G N -1.304 107.332 108.800 -0.273 0.000 2.527 263 G HA2 0.519 4.479 3.960 0.000 0.000 0.248 263 G HA3 0.519 4.479 3.960 0.000 0.000 0.248 263 G C 0.093 174.961 174.900 -0.054 0.000 1.231 263 G CA 0.580 45.665 45.100 -0.025 0.000 0.838 263 G HN 0.888 nan 8.290 nan 0.000 0.570 264 G N -0.161 108.631 108.800 -0.013 0.000 3.105 264 G HA2 0.599 4.559 3.960 0.000 0.000 0.277 264 G HA3 0.599 4.559 3.960 0.000 0.000 0.277 264 G C -0.827 174.080 174.900 0.013 0.000 1.375 264 G CA -0.786 44.312 45.100 -0.003 0.000 0.962 264 G HN 0.594 nan 8.290 nan 0.000 0.541 265 N N -0.688 118.021 118.700 0.016 0.000 2.545 265 N HA 0.395 5.135 4.740 0.000 0.000 0.289 265 N C -1.185 174.331 175.510 0.010 0.000 1.279 265 N CA -0.493 52.565 53.050 0.012 0.000 0.824 265 N CB 2.212 40.703 38.487 0.008 0.000 1.395 265 N HN 0.364 nan 8.380 nan 0.000 0.526 266 D N 0.312 120.715 120.400 0.006 0.000 2.433 266 D HA 0.367 5.007 4.640 0.000 0.000 0.255 266 D C 0.116 176.416 176.300 -0.000 0.000 1.226 266 D CA -0.064 53.940 54.000 0.005 0.000 1.015 266 D CB 0.922 41.725 40.800 0.006 0.000 1.091 266 D HN 0.293 nan 8.370 nan 0.000 0.527 267 I N 2.045 122.619 120.570 0.007 0.000 2.337 267 I HA 0.163 4.333 4.170 0.000 0.000 0.291 267 I C -1.925 174.183 176.117 -0.016 0.000 1.046 267 I CA -1.692 59.599 61.300 -0.014 0.000 1.324 267 I CB 0.859 38.862 38.000 0.006 0.000 1.409 267 I HN 0.038 nan 8.210 nan 0.000 0.494 268 P HA 0.086 nan 4.420 nan 0.000 0.264 268 P C -0.689 176.584 177.300 -0.046 0.000 1.183 268 P CA -0.043 63.032 63.100 -0.042 0.000 0.763 268 P CB 0.423 32.091 31.700 -0.055 0.000 0.807 269 R N 2.481 122.968 120.500 -0.022 0.000 2.668 269 R HA 0.334 4.674 4.340 0.000 0.000 0.279 269 R C 1.105 177.392 176.300 -0.022 0.000 0.976 269 R CA -0.872 55.221 56.100 -0.011 0.000 0.978 269 R CB 1.318 31.628 30.300 0.016 0.000 1.133 269 R HN 0.345 nan 8.270 nan 0.000 0.484 270 R N 0.581 121.069 120.500 -0.020 0.000 2.057 270 R HA 0.053 4.393 4.340 0.000 0.000 0.224 270 R C 0.110 176.409 176.300 -0.001 0.000 1.136 270 R CA 1.526 57.616 56.100 -0.018 0.000 0.968 270 R CB 0.006 30.294 30.300 -0.020 0.000 0.863 270 R HN 0.619 nan 8.270 nan 0.000 0.433 271 D N -1.527 118.881 120.400 0.013 0.000 2.272 271 D HA 0.288 4.928 4.640 0.000 0.000 0.247 271 D C 0.073 176.381 176.300 0.014 0.000 0.990 271 D CA 0.250 54.262 54.000 0.021 0.000 0.931 271 D CB 2.170 42.996 40.800 0.045 0.000 1.195 271 D HN 0.242 nan 8.370 nan 0.000 0.477 272 A N 2.148 124.972 122.820 0.006 0.000 2.014 272 A HA -0.075 4.245 4.320 0.000 0.000 0.218 272 A C 0.822 178.394 177.584 -0.021 0.000 1.163 272 A CA 0.925 52.955 52.037 -0.013 0.000 0.652 272 A CB 0.033 19.025 19.000 -0.014 0.000 0.808 272 A HN 0.504 nan 8.150 nan 0.000 0.449 273 D N -0.419 119.992 120.400 0.018 0.000 2.317 273 D HA 0.288 4.928 4.640 0.000 0.000 0.234 273 D C -0.167 176.188 176.300 0.091 0.000 1.112 273 D CA -0.447 53.580 54.000 0.044 0.000 0.840 273 D CB 0.862 41.716 40.800 0.090 0.000 1.078 273 D HN 0.014 nan 8.370 nan 0.000 0.486 274 D N 2.384 122.810 120.400 0.044 0.000 2.312 274 D HA -0.156 4.484 4.640 0.000 0.000 0.211 274 D C 1.318 177.768 176.300 0.250 0.000 0.964 274 D CA 0.534 54.616 54.000 0.137 0.000 0.877 274 D CB -0.040 40.759 40.800 -0.002 0.000 0.924 274 D HN 0.568 nan 8.370 nan 0.000 0.515 275 Y N 1.455 121.826 120.300 0.117 0.000 2.145 275 Y HA -0.251 4.299 4.550 0.000 0.000 0.286 275 Y C 2.269 178.364 175.900 0.324 0.000 1.145 275 Y CA 1.839 60.084 58.100 0.241 0.000 1.148 275 Y CB -0.318 38.276 38.460 0.223 0.000 0.981 275 Y HN -0.111 nan 8.280 nan 0.000 0.507 276 T N 0.682 115.482 114.554 0.410 0.000 2.777 276 T HA -0.152 4.198 4.350 0.000 0.000 0.266 276 T C 1.638 176.455 174.700 0.194 0.000 1.040 276 T CA 1.333 63.599 62.100 0.277 0.000 1.141 276 T CB -0.303 68.687 68.868 0.204 0.000 0.868 276 T HN 0.373 nan 8.240 nan 0.000 0.444 277 N N 0.932 119.737 118.700 0.175 0.000 2.069 277 N HA -0.037 4.703 4.740 0.000 0.000 0.191 277 N C 1.563 177.117 175.510 0.073 0.000 1.031 277 N CA 1.251 54.362 53.050 0.102 0.000 0.852 277 N CB -0.510 38.015 38.487 0.063 0.000 1.018 277 N HN 0.370 nan 8.380 nan 0.000 0.423 278 F N 0.480 120.487 119.950 0.095 0.000 2.293 278 F HA 0.026 4.553 4.527 0.000 0.000 0.297 278 F C 2.109 178.059 175.800 0.249 0.000 1.089 278 F CA 0.096 58.158 58.000 0.104 0.000 1.377 278 F CB -0.271 38.647 39.000 -0.137 0.000 1.051 278 F HN -0.022 nan 8.300 nan 0.000 0.511 279 L N 0.517 121.977 121.223 0.395 0.000 2.093 279 L HA -0.128 4.212 4.340 0.000 0.000 0.208 279 L C 2.034 178.930 176.870 0.044 0.000 1.085 279 L CA 1.856 56.768 54.840 0.119 0.000 0.755 279 L CB -0.641 41.376 42.059 -0.071 0.000 0.904 279 L HN -0.034 nan 8.230 nan 0.000 0.435 280 K N -0.906 119.543 120.400 0.080 0.000 2.155 280 K HA 0.042 4.362 4.320 0.000 0.000 0.203 280 K C 1.997 178.629 176.600 0.053 0.000 1.052 280 K CA 0.956 57.270 56.287 0.045 0.000 0.948 280 K CB -0.198 32.329 32.500 0.045 0.000 0.728 280 K HN 0.397 nan 8.250 nan 0.000 0.448 281 A N 0.967 123.848 122.820 0.102 0.000 2.014 281 A HA 0.090 4.410 4.320 0.000 0.000 0.218 281 A C 1.471 179.134 177.584 0.131 0.000 1.163 281 A CA 1.677 53.783 52.037 0.116 0.000 0.652 281 A CB -0.494 18.637 19.000 0.219 0.000 0.808 281 A HN 0.447 nan 8.150 nan 0.000 0.449 282 G N -0.914 107.962 108.800 0.128 0.000 3.076 282 G HA2 -0.199 3.761 3.960 0.000 0.000 0.256 282 G HA3 -0.199 3.761 3.960 0.000 0.000 0.256 282 G C 0.714 175.737 174.900 0.204 0.000 1.589 282 G CA 0.786 45.930 45.100 0.074 0.000 1.044 282 G HN 1.745 nan 8.290 nan 0.000 0.563 283 S N 1.326 117.215 115.700 0.315 0.000 2.645 283 S HA 0.722 5.192 4.470 0.000 0.000 0.266 283 S C 1.684 176.584 174.600 0.500 0.000 1.258 283 S CA 0.647 59.114 58.200 0.446 0.000 0.990 283 S CB 1.565 65.024 63.200 0.431 0.000 0.967 283 S HN 2.162 nan 8.310 nan 0.000 0.556 284 A N 1.270 124.459 122.820 0.615 0.000 1.930 284 A HA 0.178 4.498 4.320 0.000 0.000 0.217 284 A C 2.148 180.128 177.584 0.661 0.000 1.175 284 A CA 1.491 54.003 52.037 0.792 0.000 0.627 284 A CB -1.738 17.845 19.000 0.971 0.000 0.815 284 A HN 1.134 nan 8.150 nan 0.000 0.443 285 G N -1.005 108.175 108.800 0.633 0.000 2.422 285 G HA2 -0.146 3.814 3.960 0.000 0.000 0.218 285 G HA3 -0.146 3.814 3.960 0.000 0.000 0.218 285 G C 1.875 176.935 174.900 0.266 0.000 1.140 285 G CA 1.404 46.820 45.100 0.527 0.000 0.775 285 G HN 0.559 nan 8.290 nan 0.000 0.545 286 S N -0.475 115.376 115.700 0.253 0.000 2.387 286 S HA -0.057 4.413 4.470 0.000 0.000 0.226 286 S C 2.026 176.649 174.600 0.038 0.000 1.026 286 S CA 1.111 59.392 58.200 0.136 0.000 0.972 286 S CB -0.378 62.920 63.200 0.163 0.000 0.814 286 S HN 0.357 nan 8.310 nan 0.000 0.477 287 F N 2.318 122.226 119.950 -0.070 0.000 2.102 287 F HA 0.039 4.566 4.527 0.000 0.000 0.298 287 F C 2.333 177.853 175.800 -0.466 0.000 1.105 287 F CA 1.309 59.157 58.000 -0.253 0.000 1.239 287 F CB -0.824 38.039 39.000 -0.229 0.000 0.991 287 F HN 0.277 nan 8.300 nan 0.000 0.474 288 A N -0.319 122.196 122.820 -0.509 0.000 1.883 288 A HA -0.223 4.097 4.320 0.000 0.000 0.217 288 A C 2.186 179.486 177.584 -0.474 0.000 1.186 288 A CA 2.487 54.010 52.037 -0.857 0.000 0.624 288 A CB -1.515 16.824 19.000 -1.103 0.000 0.822 288 A HN 0.451 nan 8.150 nan 0.000 0.444 289 T N -0.013 114.397 114.554 -0.240 0.000 2.720 289 T HA -0.204 4.146 4.350 0.000 0.000 0.268 289 T C 2.044 176.622 174.700 -0.202 0.000 1.037 289 T CA 1.862 63.876 62.100 -0.144 0.000 1.144 289 T CB -0.297 68.534 68.868 -0.061 0.000 0.864 289 T HN 0.640 nan 8.240 nan 0.000 0.444 290 Q N 0.314 119.945 119.800 -0.282 0.000 2.167 290 Q HA 0.078 4.418 4.340 0.000 0.000 0.202 290 Q C 2.421 178.191 176.000 -0.383 0.000 0.970 290 Q CA 1.173 56.788 55.803 -0.314 0.000 0.855 290 Q CB -0.166 28.356 28.738 -0.359 0.000 0.911 290 Q HN 0.532 nan 8.270 nan 0.000 0.438 291 A N -0.302 122.207 122.820 -0.518 0.000 2.208 291 A HA 0.274 4.594 4.320 0.000 0.000 0.209 291 A C 1.491 178.921 177.584 -0.257 0.000 1.161 291 A CA 0.805 52.570 52.037 -0.454 0.000 0.782 291 A CB -0.178 18.468 19.000 -0.590 0.000 0.816 291 A HN 0.445 nan 8.150 nan 0.000 0.477 292 G N -1.244 107.437 108.800 -0.198 0.000 2.141 292 G HA2 -0.242 3.718 3.960 0.000 0.000 0.242 292 G HA3 -0.242 3.718 3.960 0.000 0.000 0.242 292 G C 0.698 175.622 174.900 0.040 0.000 0.982 292 G CA 0.391 45.456 45.100 -0.058 0.000 0.662 292 G HN 0.423 nan 8.290 nan 0.000 0.527 293 L N 0.309 121.470 121.223 -0.102 0.000 2.465 293 L HA 0.075 4.415 4.340 0.000 0.000 0.224 293 L C 2.089 179.120 176.870 0.267 0.000 1.145 293 L CA 0.983 55.790 54.840 -0.054 0.000 0.834 293 L CB -0.141 41.618 42.059 -0.500 0.000 0.944 293 L HN 0.083 nan 8.230 nan 0.000 0.451 294 D N 0.092 120.609 120.400 0.196 0.000 2.351 294 D HA -0.197 4.443 4.640 0.000 0.000 0.216 294 D C 1.953 178.349 176.300 0.160 0.000 0.968 294 D CA 0.834 54.960 54.000 0.209 0.000 0.899 294 D CB 0.035 40.876 40.800 0.069 0.000 0.907 294 D HN 0.581 nan 8.370 nan 0.000 0.514 295 Q N -0.596 119.315 119.800 0.186 0.000 2.280 295 Q HA -0.030 4.310 4.340 0.000 0.000 0.201 295 Q C -0.343 175.683 176.000 0.042 0.000 0.890 295 Q CA -0.076 55.772 55.803 0.074 0.000 0.947 295 Q CB -0.073 28.663 28.738 -0.002 0.000 1.081 295 Q HN 0.255 nan 8.270 nan 0.000 0.502 296 Y N 1.366 121.716 120.300 0.083 0.000 2.385 296 Y HA 0.266 4.816 4.550 0.000 0.000 0.341 296 Y C -1.616 174.333 175.900 0.083 0.000 0.965 296 Y CA -2.593 55.565 58.100 0.096 0.000 1.180 296 Y CB 1.600 40.142 38.460 0.137 0.000 1.139 296 Y HN 0.043 nan 8.280 nan 0.000 0.502 297 P HA -0.273 nan 4.420 nan 0.000 0.216 297 P C 1.553 178.896 177.300 0.071 0.000 1.154 297 P CA 1.483 64.623 63.100 0.068 0.000 0.865 297 P CB 0.055 31.786 31.700 0.052 0.000 0.789 298 F N -1.126 118.810 119.950 -0.023 0.000 2.186 298 F HA -0.124 4.403 4.527 0.000 0.000 0.299 298 F C 2.204 177.911 175.800 -0.154 0.000 1.090 298 F CA 1.146 59.075 58.000 -0.118 0.000 1.307 298 F CB -0.708 38.164 39.000 -0.214 0.000 1.019 298 F HN 0.014 nan 8.300 nan 0.000 0.489 299 W N 1.166 122.296 121.300 -0.284 0.000 2.436 299 W HA -0.169 4.491 4.660 0.000 0.000 0.284 299 W C 1.887 178.266 176.519 -0.232 0.000 1.225 299 W CA 1.251 58.417 57.345 -0.299 0.000 1.271 299 W CB -0.319 29.084 29.460 -0.095 0.000 1.114 299 W HN 0.146 nan 8.180 nan 0.000 0.559 300 Q N 0.375 119.964 119.800 -0.352 0.000 2.061 300 Q HA -0.214 4.126 4.340 0.000 0.000 0.204 300 Q C 2.357 178.069 176.000 -0.480 0.000 0.984 300 Q CA 1.966 57.506 55.803 -0.437 0.000 0.846 300 Q CB -0.326 28.280 28.738 -0.220 0.000 0.902 300 Q HN 0.296 nan 8.270 nan 0.000 0.421 301 R N 0.112 120.333 120.500 -0.465 0.000 2.075 301 R HA -0.055 4.285 4.340 0.000 0.000 0.232 301 R C 2.273 178.204 176.300 -0.615 0.000 1.126 301 R CA 1.305 57.060 56.100 -0.576 0.000 0.963 301 R CB -0.326 29.599 30.300 -0.624 0.000 0.858 301 R HN 0.328 nan 8.270 nan 0.000 0.435 302 M N 0.347 119.589 119.600 -0.598 0.000 2.175 302 M HA -0.177 4.303 4.480 0.000 0.000 0.264 302 M C 2.333 178.474 176.300 -0.265 0.000 1.063 302 M CA 1.627 56.798 55.300 -0.215 0.000 1.119 302 M CB -0.235 32.277 32.600 -0.148 0.000 1.377 302 M HN 0.203 nan 8.290 nan 0.000 0.415 303 H N 0.102 118.600 119.070 -0.953 0.000 2.423 303 H HA -0.033 4.523 4.556 0.000 0.000 0.297 303 H C 1.572 176.654 175.328 -0.409 0.000 1.075 303 H CA 1.715 57.155 56.048 -1.013 0.000 1.342 303 H CB 0.152 29.058 29.762 -1.426 0.000 1.395 303 H HN 0.524 nan 8.280 nan 0.000 0.530 304 A N 0.300 122.866 122.820 -0.422 0.000 2.167 304 A HA -0.037 4.283 4.320 0.000 0.000 0.214 304 A C 0.339 177.538 177.584 -0.642 0.000 1.151 304 A CA 0.384 52.111 52.037 -0.516 0.000 0.735 304 A CB -0.071 18.560 19.000 -0.616 0.000 0.802 304 A HN 0.480 nan 8.150 nan 0.000 0.467 305 H N -0.674 118.335 119.070 -0.101 0.000 2.379 305 H HA 0.184 4.740 4.556 0.000 0.000 0.229 305 H C -2.160 173.431 175.328 0.439 0.000 1.423 305 H CA -1.346 54.756 56.048 0.090 0.000 1.375 305 H CB 0.673 30.383 29.762 -0.087 0.000 1.592 305 H HN 0.331 nan 8.280 nan 0.000 0.507 306 P HA -0.012 nan 4.420 nan 0.000 0.223 306 P C 0.744 178.290 177.300 0.410 0.000 1.151 306 P CA 0.493 63.843 63.100 0.417 0.000 0.787 306 P CB 0.681 32.511 31.700 0.216 0.000 0.788 307 A N -0.502 122.534 122.820 0.360 0.000 2.269 307 A HA 0.313 4.633 4.320 0.000 0.000 0.319 307 A C -0.660 176.784 177.584 -0.234 0.000 1.110 307 A CA -0.569 51.586 52.037 0.196 0.000 0.847 307 A CB -0.068 19.088 19.000 0.260 0.000 1.161 307 A HN 0.006 nan 8.150 nan 0.000 0.497 308 Y N 2.224 121.889 120.300 -1.057 0.000 2.724 308 Y HA 0.183 4.733 4.550 0.000 0.000 0.354 308 Y C 0.199 175.863 175.900 -0.392 0.000 1.270 308 Y CA -1.016 56.340 58.100 -1.241 0.000 1.902 308 Y CB -0.939 36.483 38.460 -1.730 0.000 1.981 308 Y HN 0.775 nan 8.280 nan 0.000 0.428 309 D N -0.016 120.256 120.400 -0.212 0.000 2.453 309 D HA 0.248 4.888 4.640 0.000 0.000 0.282 309 D C 1.584 177.736 176.300 -0.247 0.000 1.222 309 D CA 0.080 53.994 54.000 -0.143 0.000 1.079 309 D CB -0.053 40.762 40.800 0.024 0.000 1.128 309 D HN 0.206 nan 8.370 nan 0.000 0.568 310 A N -0.861 121.857 122.820 -0.170 0.000 1.948 310 A HA -0.167 4.153 4.320 0.000 0.000 0.220 310 A C 2.016 179.444 177.584 -0.260 0.000 1.177 310 A CA 1.617 53.541 52.037 -0.189 0.000 0.636 310 A CB -1.273 17.658 19.000 -0.114 0.000 0.815 310 A HN 0.536 nan 8.150 nan 0.000 0.449 311 F N -0.944 118.680 119.950 -0.543 0.000 2.095 311 F HA -0.191 4.336 4.527 0.000 0.000 0.298 311 F C 1.950 177.358 175.800 -0.653 0.000 1.104 311 F CA 1.913 59.453 58.000 -0.767 0.000 1.232 311 F CB -0.469 37.679 39.000 -1.419 0.000 0.987 311 F HN 0.412 nan 8.300 nan 0.000 0.475 312 W N 0.295 121.389 121.300 -0.343 0.000 2.523 312 W HA -0.014 4.646 4.660 0.000 0.000 0.278 312 W C 2.481 178.713 176.519 -0.478 0.000 1.236 312 W CA 0.630 57.761 57.345 -0.357 0.000 1.306 312 W CB -0.598 28.704 29.460 -0.264 0.000 1.101 312 W HN 0.002 nan 8.180 nan 0.000 0.577 313 Q N -0.122 119.388 119.800 -0.483 0.000 2.170 313 Q HA -0.094 4.246 4.340 0.000 0.000 0.203 313 Q C 2.412 178.310 176.000 -0.171 0.000 0.976 313 Q CA 1.385 56.934 55.803 -0.423 0.000 0.858 313 Q CB -0.699 27.787 28.738 -0.420 0.000 0.907 313 Q HN 0.396 nan 8.270 nan 0.000 0.433 314 G N 0.318 109.001 108.800 -0.195 0.000 2.679 314 G HA2 -0.182 3.778 3.960 0.000 0.000 0.212 314 G HA3 -0.182 3.778 3.960 0.000 0.000 0.212 314 G C 0.904 175.751 174.900 -0.089 0.000 1.137 314 G CA 0.149 45.166 45.100 -0.138 0.000 0.787 314 G HN 0.296 nan 8.290 nan 0.000 0.534 315 Q N -0.460 119.304 119.800 -0.060 0.000 2.159 315 Q HA 0.375 4.715 4.340 0.000 0.000 0.217 315 Q C 0.630 176.737 176.000 0.179 0.000 0.818 315 Q CA -0.363 55.478 55.803 0.063 0.000 1.008 315 Q CB 1.323 30.096 28.738 0.058 0.000 1.148 315 Q HN 0.294 nan 8.270 nan 0.000 0.491 316 A N 1.419 124.334 122.820 0.159 0.000 2.539 316 A HA 0.210 4.530 4.320 0.000 0.000 0.306 316 A C 0.892 178.593 177.584 0.195 0.000 1.392 316 A CA -0.124 52.042 52.037 0.215 0.000 1.060 316 A CB -0.268 18.873 19.000 0.235 0.000 1.134 316 A HN 0.409 nan 8.150 nan 0.000 0.542 317 L N 1.135 122.491 121.223 0.221 0.000 2.362 317 L HA -0.129 4.211 4.340 0.000 0.000 0.219 317 L C 1.991 178.971 176.870 0.185 0.000 1.134 317 L CA 1.009 55.970 54.840 0.202 0.000 0.807 317 L CB -0.468 41.731 42.059 0.233 0.000 0.927 317 L HN 0.778 nan 8.230 nan 0.000 0.447 318 D N 0.221 120.738 120.400 0.195 0.000 2.084 318 D HA -0.205 4.435 4.640 0.000 0.000 0.194 318 D C 1.824 178.196 176.300 0.120 0.000 0.990 318 D CA 1.176 55.264 54.000 0.146 0.000 0.826 318 D CB -0.342 40.566 40.800 0.180 0.000 0.971 318 D HN 0.127 nan 8.370 nan 0.000 0.453 319 K N 0.392 120.877 120.400 0.142 0.000 2.002 319 K HA -0.051 4.269 4.320 0.000 0.000 0.209 319 K C 2.359 179.016 176.600 0.095 0.000 1.048 319 K CA 0.432 56.788 56.287 0.116 0.000 0.930 319 K CB -0.512 32.065 32.500 0.127 0.000 0.714 319 K HN 0.266 nan 8.250 nan 0.000 0.438 320 I N 1.181 121.812 120.570 0.101 0.000 2.163 320 I HA -0.253 3.917 4.170 0.000 0.000 0.243 320 I C 2.440 178.612 176.117 0.092 0.000 1.085 320 I CA 0.966 62.319 61.300 0.089 0.000 1.347 320 I CB -1.006 37.050 38.000 0.092 0.000 1.044 320 I HN 0.070 nan 8.210 nan 0.000 0.408 321 L N 1.374 122.664 121.223 0.111 0.000 2.141 321 L HA -0.043 4.297 4.340 0.000 0.000 0.209 321 L C 2.524 179.453 176.870 0.097 0.000 1.094 321 L CA 1.873 56.787 54.840 0.123 0.000 0.763 321 L CB -0.817 41.348 42.059 0.177 0.000 0.908 321 L HN 0.180 nan 8.230 nan 0.000 0.437 322 A N -1.323 121.541 122.820 0.073 0.000 2.015 322 A HA -0.217 4.103 4.320 0.000 0.000 0.219 322 A C 2.156 179.768 177.584 0.047 0.000 1.163 322 A CA 1.595 53.660 52.037 0.047 0.000 0.646 322 A CB -0.419 18.599 19.000 0.029 0.000 0.806 322 A HN 0.646 nan 8.150 nan 0.000 0.448 323 Q N -1.067 118.766 119.800 0.055 0.000 2.187 323 Q HA -0.023 4.317 4.340 0.000 0.000 0.199 323 Q C 2.039 178.069 176.000 0.050 0.000 0.957 323 Q CA 0.675 56.507 55.803 0.048 0.000 0.857 323 Q CB -0.004 28.764 28.738 0.049 0.000 0.929 323 Q HN 0.422 nan 8.270 nan 0.000 0.453 324 R N 1.002 121.539 120.500 0.062 0.000 2.161 324 R HA 0.051 4.391 4.340 0.000 0.000 0.213 324 R C 0.102 176.440 176.300 0.063 0.000 1.055 324 R CA 0.363 56.501 56.100 0.063 0.000 0.996 324 R CB -0.066 30.280 30.300 0.076 0.000 0.901 324 R HN 0.150 nan 8.270 nan 0.000 0.456 325 K N 1.328 121.769 120.400 0.067 0.000 4.007 325 K HA -0.117 4.203 4.320 0.000 0.000 0.279 325 K C -2.316 174.326 176.600 0.071 0.000 0.919 325 K CA 0.079 56.405 56.287 0.065 0.000 0.800 325 K CB -1.069 31.459 32.500 0.047 0.000 1.572 325 K HN 0.262 nan 8.250 nan 0.000 0.443 326 P HA -0.023 nan 4.420 nan 0.000 0.272 326 P C 0.588 177.930 177.300 0.068 0.000 1.230 326 P CA 0.081 63.231 63.100 0.082 0.000 0.788 326 P CB 0.813 32.575 31.700 0.104 0.000 0.949 327 T N -3.018 111.562 114.554 0.043 0.000 3.129 327 T HA 0.198 4.548 4.350 0.000 0.000 0.267 327 T C 0.470 175.160 174.700 -0.016 0.000 1.018 327 T CA -0.278 61.836 62.100 0.024 0.000 0.903 327 T CB -0.419 68.460 68.868 0.019 0.000 1.067 327 T HN 0.078 nan 8.240 nan 0.000 0.549 328 V N 3.713 123.614 119.914 -0.022 0.000 2.530 328 V HA 0.315 4.435 4.120 0.000 0.000 0.282 328 V C -2.217 173.819 176.094 -0.097 0.000 1.048 328 V CA -2.035 60.208 62.300 -0.095 0.000 0.997 328 V CB 0.896 32.671 31.823 -0.079 0.000 0.987 328 V HN 0.256 nan 8.190 nan 0.000 0.477 329 P HA 0.174 nan 4.420 nan 0.000 0.264 329 P C -0.575 176.774 177.300 0.082 0.000 1.193 329 P CA 0.438 63.466 63.100 -0.120 0.000 0.763 329 P CB 0.306 31.620 31.700 -0.644 0.000 0.810 330 M N 3.082 122.823 119.600 0.236 0.000 2.464 330 M HA 0.439 4.919 4.480 0.000 0.000 0.308 330 M C -0.917 175.434 176.300 0.086 0.000 1.127 330 M CA -0.862 54.498 55.300 0.101 0.000 0.913 330 M CB 2.200 34.794 32.600 -0.010 0.000 1.689 330 M HN 0.082 nan 8.290 nan 0.000 0.445 331 L N 2.962 124.142 121.223 -0.072 0.000 2.345 331 L HA 0.546 4.886 4.340 0.000 0.000 0.274 331 L C -2.034 174.711 176.870 -0.208 0.000 0.999 331 L CA 0.014 54.763 54.840 -0.153 0.000 0.849 331 L CB 0.744 42.692 42.059 -0.184 0.000 1.220 331 L HN 0.623 nan 8.230 nan 0.000 0.422 332 W N 4.535 125.821 121.300 -0.024 0.000 2.351 332 W HA 0.578 5.238 4.660 0.000 0.000 0.311 332 W C 0.422 176.855 176.519 -0.144 0.000 1.168 332 W CA -0.174 57.155 57.345 -0.026 0.000 1.200 332 W CB 1.020 30.513 29.460 0.056 0.000 1.221 332 W HN 0.408 nan 8.180 nan 0.000 0.519 333 E N 3.640 123.892 120.200 0.086 0.000 2.317 333 E HA 0.393 4.743 4.350 0.000 0.000 0.270 333 E C -1.224 175.410 176.600 0.056 0.000 0.885 333 E CA -0.701 55.679 56.400 -0.032 0.000 0.760 333 E CB 2.256 31.851 29.700 -0.175 0.000 1.227 333 E HN 0.685 nan 8.360 nan 0.000 0.434 334 Q N 1.272 121.102 119.800 0.049 0.000 2.578 334 Q HA 0.630 4.970 4.340 0.000 0.000 0.284 334 Q C -0.822 175.250 176.000 0.120 0.000 0.960 334 Q CA -1.140 54.726 55.803 0.104 0.000 0.809 334 Q CB 0.931 29.723 28.738 0.091 0.000 1.462 334 Q HN 0.474 nan 8.270 nan 0.000 0.392 335 G N 1.098 110.010 108.800 0.187 0.000 2.444 335 G HA2 0.375 4.335 3.960 0.000 0.000 0.268 335 G HA3 0.375 4.335 3.960 0.000 0.000 0.268 335 G C 0.375 175.231 174.900 -0.074 0.000 1.203 335 G CA -0.833 44.355 45.100 0.146 0.000 0.835 335 G HN 0.657 nan 8.290 nan 0.000 0.543 336 L N 0.511 121.551 121.223 -0.305 0.000 2.191 336 L HA -0.005 4.335 4.340 0.000 0.000 0.212 336 L C 1.099 177.666 176.870 -0.504 0.000 1.103 336 L CA 0.785 55.312 54.840 -0.521 0.000 0.769 336 L CB 0.013 41.535 42.059 -0.895 0.000 0.908 336 L HN 0.551 nan 8.230 nan 0.000 0.438 337 W N 0.278 121.515 121.300 -0.105 0.000 2.164 337 W HA 0.203 4.863 4.660 0.000 0.000 0.370 337 W C 0.023 176.489 176.519 -0.088 0.000 0.747 337 W CA -0.977 56.298 57.345 -0.115 0.000 2.688 337 W CB -0.049 29.333 29.460 -0.130 0.000 1.826 337 W HN -0.053 nan 8.180 nan 0.000 0.721 338 D N 2.366 122.838 120.400 0.119 0.000 2.344 338 D HA -0.040 4.600 4.640 0.000 0.000 0.253 338 D C 1.518 177.863 176.300 0.075 0.000 1.255 338 D CA 0.441 54.532 54.000 0.152 0.000 0.894 338 D CB 1.097 42.010 40.800 0.188 0.000 1.067 338 D HN 0.160 nan 8.370 nan 0.000 0.492 339 Q N 2.729 122.519 119.800 -0.016 0.000 2.444 339 Q HA -0.022 4.318 4.340 0.000 0.000 0.206 339 Q C 0.162 176.157 176.000 -0.008 0.000 0.948 339 Q CA 0.827 56.546 55.803 -0.141 0.000 0.946 339 Q CB 0.300 28.747 28.738 -0.485 0.000 1.027 339 Q HN 0.595 nan 8.270 nan 0.000 0.513 340 E N 0.024 120.204 120.200 -0.033 0.000 2.399 340 E HA 0.130 4.481 4.350 0.000 0.000 0.206 340 E C -0.323 176.197 176.600 -0.134 0.000 0.812 340 E CA 0.084 56.397 56.400 -0.146 0.000 1.138 340 E CB 0.772 30.157 29.700 -0.524 0.000 1.140 340 E HN 0.251 nan 8.360 nan 0.000 0.536 341 D N 0.814 121.190 120.400 -0.040 0.000 2.552 341 D HA 0.116 4.756 4.640 0.000 0.000 0.285 341 D C 0.156 176.566 176.300 0.182 0.000 1.206 341 D CA -0.001 54.053 54.000 0.089 0.000 0.826 341 D CB 1.301 42.192 40.800 0.152 0.000 1.179 341 D HN 0.023 nan 8.370 nan 0.000 0.508 342 M N 0.468 120.182 119.600 0.190 0.000 2.388 342 M HA 0.066 4.546 4.480 0.000 0.000 0.265 342 M C 1.545 177.974 176.300 0.214 0.000 1.088 342 M CA 0.980 56.392 55.300 0.186 0.000 1.134 342 M CB 0.201 32.924 32.600 0.204 0.000 1.384 342 M HN 0.403 nan 8.290 nan 0.000 0.447 343 W N 0.474 121.784 121.300 0.016 0.000 2.441 343 W HA 0.058 4.718 4.660 0.000 0.000 0.302 343 W C 1.675 178.304 176.519 0.182 0.000 1.191 343 W CA 1.603 58.983 57.345 0.059 0.000 1.327 343 W CB -0.918 28.427 29.460 -0.192 0.000 1.128 343 W HN 0.312 nan 8.180 nan 0.000 0.522 344 G N 1.571 110.595 108.800 0.373 0.000 2.908 344 G HA2 -0.429 3.531 3.960 0.000 0.000 0.218 344 G HA3 -0.429 3.531 3.960 0.000 0.000 0.218 344 G C 1.656 176.678 174.900 0.203 0.000 1.311 344 G CA 2.737 48.021 45.100 0.306 0.000 0.787 344 G HN 0.396 nan 8.290 nan 0.000 0.700 345 A N 0.125 123.079 122.820 0.224 0.000 1.892 345 A HA -0.073 4.247 4.320 0.000 0.000 0.218 345 A C 2.514 180.104 177.584 0.010 0.000 1.188 345 A CA 1.970 54.143 52.037 0.227 0.000 0.631 345 A CB -0.480 18.690 19.000 0.284 0.000 0.822 345 A HN 0.593 nan 8.150 nan 0.000 0.447 346 I N -1.681 118.881 120.570 -0.013 0.000 2.252 346 I HA -0.251 3.919 4.170 0.000 0.000 0.245 346 I C 2.331 178.379 176.117 -0.114 0.000 1.102 346 I CA 1.852 63.116 61.300 -0.059 0.000 1.385 346 I CB -0.155 37.764 38.000 -0.135 0.000 1.064 346 I HN 0.487 nan 8.210 nan 0.000 0.414 347 H N 0.337 119.264 119.070 -0.237 0.000 2.389 347 H HA -0.021 4.535 4.556 0.000 0.000 0.299 347 H C 2.196 177.398 175.328 -0.210 0.000 1.081 347 H CA 1.500 57.372 56.048 -0.293 0.000 1.345 347 H CB -0.145 29.274 29.762 -0.572 0.000 1.393 347 H HN 0.449 nan 8.280 nan 0.000 0.520 348 A N 0.117 122.826 122.820 -0.185 0.000 1.897 348 A HA -0.162 4.158 4.320 0.000 0.000 0.215 348 A C 2.113 179.290 177.584 -0.679 0.000 1.181 348 A CA 1.241 53.010 52.037 -0.447 0.000 0.620 348 A CB -1.041 17.498 19.000 -0.768 0.000 0.821 348 A HN 0.678 nan 8.150 nan 0.000 0.443 349 W N 0.696 121.414 121.300 -0.970 0.000 2.381 349 W HA -0.206 4.454 4.660 0.000 0.000 0.301 349 W C 2.176 178.502 176.519 -0.322 0.000 1.205 349 W CA 2.092 58.980 57.345 -0.761 0.000 1.285 349 W CB -0.223 28.913 29.460 -0.540 0.000 1.133 349 W HN 0.384 nan 8.180 nan 0.000 0.521 350 Q N 0.968 120.582 119.800 -0.309 0.000 2.124 350 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 350 Q C 2.237 178.007 176.000 -0.383 0.000 0.977 350 Q CA 2.678 58.182 55.803 -0.499 0.000 0.850 350 Q CB -0.865 27.753 28.738 -0.200 0.000 0.901 350 Q HN 0.301 nan 8.270 nan 0.000 0.429 351 A N 0.084 122.759 122.820 -0.242 0.000 1.902 351 A HA -0.133 4.187 4.320 0.000 0.000 0.217 351 A C 2.107 179.594 177.584 -0.161 0.000 1.181 351 A CA 1.459 53.410 52.037 -0.143 0.000 0.623 351 A CB -0.783 18.181 19.000 -0.059 0.000 0.818 351 A HN 0.452 nan 8.150 nan 0.000 0.443 352 L N -0.691 120.407 121.223 -0.208 0.000 2.046 352 L HA -0.184 4.156 4.340 0.000 0.000 0.208 352 L C 2.642 179.393 176.870 -0.198 0.000 1.077 352 L CA 1.858 56.613 54.840 -0.141 0.000 0.747 352 L CB -0.409 41.606 42.059 -0.072 0.000 0.896 352 L HN 0.449 nan 8.230 nan 0.000 0.432 353 K N 0.074 120.242 120.400 -0.387 0.000 2.097 353 K HA -0.205 4.115 4.320 0.000 0.000 0.206 353 K C 1.489 177.948 176.600 -0.235 0.000 1.049 353 K CA 1.714 57.769 56.287 -0.387 0.000 0.933 353 K CB 0.038 32.108 32.500 -0.716 0.000 0.717 353 K HN 0.253 nan 8.250 nan 0.000 0.442 354 D N 0.011 120.282 120.400 -0.215 0.000 2.224 354 D HA -0.061 4.579 4.640 0.000 0.000 0.205 354 D C 1.304 177.557 176.300 -0.077 0.000 0.965 354 D CA 0.906 54.829 54.000 -0.129 0.000 0.852 354 D CB 0.108 40.842 40.800 -0.110 0.000 0.947 354 D HN 0.307 nan 8.370 nan 0.000 0.494 355 A N 0.211 122.989 122.820 -0.070 0.000 2.251 355 A HA -0.026 4.294 4.320 0.000 0.000 0.209 355 A C 0.422 177.992 177.584 -0.024 0.000 1.187 355 A CA 0.128 52.146 52.037 -0.032 0.000 0.823 355 A CB -0.001 18.989 19.000 -0.016 0.000 0.846 355 A HN 0.057 nan 8.150 nan 0.000 0.486 356 D N -0.264 120.112 120.400 -0.041 0.000 2.828 356 D HA -0.140 4.500 4.640 0.000 0.000 0.241 356 D C -0.047 176.253 176.300 -0.000 0.000 1.142 356 D CA 0.843 54.829 54.000 -0.022 0.000 0.755 356 D CB -1.242 39.553 40.800 -0.010 0.000 1.014 356 D HN 0.363 nan 8.370 nan 0.000 0.420 357 V N 2.116 122.029 119.914 -0.001 0.000 2.763 357 V HA -0.012 4.109 4.120 0.000 0.000 0.306 357 V C 0.828 176.951 176.094 0.048 0.000 1.059 357 V CA 0.419 62.738 62.300 0.032 0.000 1.138 357 V CB 1.067 32.921 31.823 0.052 0.000 0.940 357 V HN 0.138 nan 8.190 nan 0.000 0.489 358 K N 6.092 126.523 120.400 0.053 0.000 2.778 358 K HA 0.646 4.966 4.320 0.000 0.000 0.238 358 K C -0.280 176.360 176.600 0.066 0.000 1.233 358 K CA 0.346 56.666 56.287 0.057 0.000 1.195 358 K CB 0.356 32.883 32.500 0.046 0.000 1.743 358 K HN 0.843 nan 8.250 nan 0.000 0.418 359 A N 0.993 123.865 122.820 0.087 0.000 2.583 359 A HA 0.517 4.837 4.320 0.000 0.000 0.292 359 A C -2.966 174.707 177.584 0.149 0.000 1.045 359 A CA -1.225 50.869 52.037 0.095 0.000 0.672 359 A CB 0.830 19.869 19.000 0.064 0.000 1.283 359 A HN 0.061 nan 8.150 nan 0.000 0.419 360 P HA 0.277 nan 4.420 nan 0.000 0.262 360 P C -0.773 176.702 177.300 0.291 0.000 1.182 360 P CA 0.593 63.860 63.100 0.278 0.000 0.761 360 P CB 0.248 32.202 31.700 0.424 0.000 0.795 361 N N 1.400 120.285 118.700 0.308 0.000 2.621 361 N HA 0.234 4.974 4.740 0.000 0.000 0.271 361 N C -1.633 174.201 175.510 0.541 0.000 1.181 361 N CA -0.305 52.999 53.050 0.424 0.000 0.805 361 N CB 0.734 39.416 38.487 0.325 0.000 1.351 361 N HN 0.061 nan 8.380 nan 0.000 0.539 362 T N 2.493 117.294 114.554 0.413 0.000 2.829 362 T HA 0.446 4.796 4.350 0.000 0.000 0.280 362 T C -0.845 173.859 174.700 0.007 0.000 0.999 362 T CA -0.437 61.799 62.100 0.227 0.000 0.983 362 T CB 1.216 70.071 68.868 -0.020 0.000 0.968 362 T HN 0.351 nan 8.240 nan 0.000 0.446 363 L N 4.594 125.539 121.223 -0.464 0.000 2.282 363 L HA 0.717 5.057 4.340 0.000 0.000 0.288 363 L C -1.059 175.490 176.870 -0.535 0.000 1.033 363 L CA -0.320 54.060 54.840 -0.766 0.000 0.807 363 L CB 0.999 42.041 42.059 -1.694 0.000 1.209 363 L HN 0.436 nan 8.230 nan 0.000 0.423 364 V N 6.562 126.245 119.914 -0.386 0.000 2.487 364 V HA 0.550 4.670 4.120 0.000 0.000 0.298 364 V C -0.185 175.720 176.094 -0.316 0.000 1.028 364 V CA -0.474 61.611 62.300 -0.358 0.000 0.860 364 V CB 1.661 33.253 31.823 -0.384 0.000 0.991 364 V HN 0.772 nan 8.190 nan 0.000 0.427 365 M N 3.922 123.319 119.600 -0.338 0.000 2.204 365 M HA 0.635 5.115 4.480 0.000 0.000 0.293 365 M C 0.187 176.132 176.300 -0.591 0.000 0.994 365 M CA -0.222 54.841 55.300 -0.395 0.000 0.925 365 M CB 2.222 34.569 32.600 -0.422 0.000 1.577 365 M HN 0.769 nan 8.290 nan 0.000 0.439 366 G N 2.163 110.268 108.800 -1.158 0.000 2.597 366 G HA2 0.766 4.726 3.960 0.000 0.000 0.317 366 G HA3 0.766 4.726 3.960 0.000 0.000 0.317 366 G C -2.844 171.014 174.900 -1.736 0.000 1.230 366 G CA -1.362 42.495 45.100 -2.070 0.000 0.996 366 G HN 0.416 nan 8.290 nan 0.000 0.490 367 P HA 0.196 nan 4.420 nan 0.000 0.225 367 P C -1.078 175.876 177.300 -0.576 0.000 1.813 367 P CA -0.099 62.292 63.100 -1.182 0.000 1.013 367 P CB -0.120 30.376 31.700 -2.007 0.000 1.961 368 W N 2.156 123.416 121.300 -0.066 0.000 2.902 368 W HA 0.407 5.067 4.660 0.000 0.000 0.346 368 W C 0.564 177.157 176.519 0.124 0.000 1.139 368 W CA -0.835 56.536 57.345 0.044 0.000 1.139 368 W CB 0.898 30.352 29.460 -0.010 0.000 1.439 368 W HN 0.055 nan 8.180 nan 0.000 0.558 369 R N -0.204 120.510 120.500 0.357 0.000 2.531 369 R HA 0.333 4.673 4.340 0.000 0.000 0.260 369 R C -0.077 176.373 176.300 0.251 0.000 1.144 369 R CA -0.684 55.557 56.100 0.234 0.000 1.171 369 R CB -0.375 30.000 30.300 0.125 0.000 1.199 369 R HN 0.359 nan 8.270 nan 0.000 0.594 370 H N 0.138 119.280 119.070 0.120 0.000 3.157 370 H HA 0.023 4.579 4.556 0.000 0.000 0.299 370 H C -0.200 175.226 175.328 0.162 0.000 0.961 370 H CA 1.591 57.722 56.048 0.139 0.000 1.428 370 H CB 0.026 29.867 29.762 0.132 0.000 1.459 370 H HN 0.710 nan 8.280 nan 0.000 0.566 371 S N 1.797 117.311 115.700 -0.310 0.000 3.127 371 S HA -0.244 4.226 4.470 0.000 0.000 0.281 371 S C 1.882 176.481 174.600 -0.001 0.000 1.293 371 S CA 0.954 59.039 58.200 -0.192 0.000 1.156 371 S CB -1.656 61.449 63.200 -0.160 0.000 1.389 371 S HN 1.021 nan 8.310 nan 0.000 0.672 372 G N 0.486 109.307 108.800 0.034 0.000 2.479 372 G HA2 -0.114 3.846 3.960 0.000 0.000 0.220 372 G HA3 -0.114 3.846 3.960 0.000 0.000 0.220 372 G C 1.230 175.887 174.900 -0.405 0.000 1.115 372 G CA 0.997 46.111 45.100 0.023 0.000 0.757 372 G HN 0.703 nan 8.290 nan 0.000 0.560 373 V N 1.032 120.513 119.914 -0.721 0.000 2.688 373 V HA -0.101 4.019 4.120 0.000 0.000 0.256 373 V C 1.740 177.525 176.094 -0.516 0.000 1.084 373 V CA 1.814 63.468 62.300 -1.078 0.000 1.103 373 V CB -0.311 30.962 31.823 -0.916 0.000 0.688 373 V HN 0.344 nan 8.190 nan 0.000 0.480 374 N N -1.451 116.997 118.700 -0.421 0.000 2.322 374 N HA 0.139 4.879 4.740 0.000 0.000 0.194 374 N C -0.074 174.967 175.510 -0.781 0.000 1.126 374 N CA 0.292 53.024 53.050 -0.531 0.000 0.845 374 N CB 0.316 38.446 38.487 -0.594 0.000 0.976 374 N HN 0.625 nan 8.380 nan 0.000 0.475 375 Y N -0.527 119.711 120.300 -0.103 0.000 3.338 375 Y HA 0.308 4.858 4.550 0.000 0.000 0.293 375 Y C 0.566 176.445 175.900 -0.035 0.000 1.809 375 Y CA -1.147 56.924 58.100 -0.049 0.000 0.882 375 Y CB 0.196 38.637 38.460 -0.033 0.000 1.367 375 Y HN -0.234 nan 8.280 nan 0.000 0.672 376 N N 0.431 119.253 118.700 0.204 0.000 2.419 376 N HA 0.236 4.976 4.740 0.000 0.000 0.277 376 N C -0.367 175.251 175.510 0.180 0.000 1.006 376 N CA 0.033 53.171 53.050 0.147 0.000 0.923 376 N CB 1.583 40.140 38.487 0.117 0.000 1.140 376 N HN 0.855 nan 8.380 nan 0.000 0.488 377 G N 1.723 110.665 108.800 0.236 0.000 3.959 377 G HA2 0.084 4.044 3.960 0.000 0.000 0.298 377 G HA3 0.084 4.044 3.960 0.000 0.000 0.298 377 G C 0.622 175.759 174.900 0.395 0.000 1.211 377 G CA -0.292 45.045 45.100 0.396 0.000 1.001 377 G HN 0.547 nan 8.290 nan 0.000 0.561 378 S N -0.106 115.761 115.700 0.279 0.000 2.425 378 S HA 0.078 4.548 4.470 0.000 0.000 0.225 378 S C 1.467 176.155 174.600 0.148 0.000 1.024 378 S CA 1.024 59.354 58.200 0.216 0.000 0.951 378 S CB 0.224 63.493 63.200 0.116 0.000 0.796 378 S HN 0.715 nan 8.310 nan 0.000 0.498 379 T N -0.894 113.737 114.554 0.129 0.000 2.812 379 T HA 0.723 5.073 4.350 0.000 0.000 0.294 379 T C -1.655 173.093 174.700 0.080 0.000 1.159 379 T CA -0.818 61.225 62.100 -0.094 0.000 1.008 379 T CB 1.855 70.652 68.868 -0.118 0.000 1.289 379 T HN -0.031 nan 8.240 nan 0.000 0.514 380 L N 1.018 122.190 121.223 -0.085 0.000 2.753 380 L HA 0.615 4.955 4.340 0.000 0.000 0.259 380 L C 0.554 177.318 176.870 -0.177 0.000 0.958 380 L CA 1.458 56.290 54.840 -0.014 0.000 0.955 380 L CB 0.840 42.987 42.059 0.146 0.000 1.317 380 L HN 1.612 nan 8.230 nan 0.000 0.436 381 G N 5.685 114.407 108.800 -0.130 0.000 2.583 381 G HA2 -0.269 3.691 3.960 0.000 0.000 0.292 381 G HA3 -0.269 3.691 3.960 0.000 0.000 0.292 381 G C -1.679 173.121 174.900 -0.166 0.000 1.203 381 G CA 0.217 45.236 45.100 -0.135 0.000 0.987 381 G HN 0.611 nan 8.290 nan 0.000 0.554 382 P HA 0.234 nan 4.420 nan 0.000 0.249 382 P C 0.815 177.923 177.300 -0.320 0.000 1.229 382 P CA 0.361 63.327 63.100 -0.224 0.000 0.788 382 P CB 0.008 31.576 31.700 -0.220 0.000 1.072 383 L N 0.551 121.532 121.223 -0.405 0.000 2.371 383 L HA 0.247 4.587 4.340 0.000 0.000 0.272 383 L C 0.598 177.027 176.870 -0.735 0.000 1.124 383 L CA -0.124 54.386 54.840 -0.549 0.000 0.816 383 L CB 0.441 42.137 42.059 -0.605 0.000 1.129 383 L HN -0.124 nan 8.230 nan 0.000 0.448 384 E N 2.252 122.036 120.200 -0.693 0.000 2.199 384 E HA 0.492 4.842 4.350 0.000 0.000 0.265 384 E C -1.300 174.958 176.600 -0.571 0.000 0.882 384 E CA -0.521 55.531 56.400 -0.580 0.000 0.759 384 E CB 1.858 31.401 29.700 -0.263 0.000 1.148 384 E HN 0.207 nan 8.360 nan 0.000 0.412 385 F N 0.476 120.425 119.950 -0.001 0.000 2.525 385 F HA 0.284 4.811 4.527 0.000 0.000 0.346 385 F C 1.004 176.839 175.800 0.059 0.000 1.072 385 F CA -1.094 56.918 58.000 0.020 0.000 1.033 385 F CB 0.660 39.575 39.000 -0.142 0.000 1.324 385 F HN 0.213 nan 8.300 nan 0.000 0.491 386 E N 1.690 122.091 120.200 0.336 0.000 1.856 386 E HA 0.392 4.742 4.350 0.000 0.000 0.263 386 E C 0.540 177.275 176.600 0.225 0.000 1.137 386 E CA 0.161 56.702 56.400 0.236 0.000 1.007 386 E CB -0.130 29.705 29.700 0.225 0.000 1.117 386 E HN 0.780 nan 8.360 nan 0.000 0.438 387 G N 2.980 111.890 108.800 0.184 0.000 2.760 387 G HA2 -0.260 3.700 3.960 0.000 0.000 0.246 387 G HA3 -0.260 3.700 3.960 0.000 0.000 0.246 387 G C -0.383 174.647 174.900 0.217 0.000 1.359 387 G CA -0.532 44.677 45.100 0.181 0.000 0.861 387 G HN 0.477 nan 8.290 nan 0.000 0.541 388 D N 0.878 121.410 120.400 0.220 0.000 2.455 388 D HA 0.355 4.995 4.640 0.000 0.000 0.234 388 D C 2.195 178.703 176.300 0.347 0.000 1.224 388 D CA 0.879 55.031 54.000 0.253 0.000 0.999 388 D CB -0.088 40.836 40.800 0.206 0.000 1.072 388 D HN 0.779 nan 8.370 nan 0.000 0.514 389 T N 0.613 115.397 114.554 0.383 0.000 2.803 389 T HA -0.201 4.149 4.350 0.000 0.000 0.269 389 T C 1.807 176.967 174.700 0.766 0.000 1.052 389 T CA 1.102 63.529 62.100 0.546 0.000 1.136 389 T CB -0.106 68.862 68.868 0.167 0.000 0.864 389 T HN 0.256 nan 8.240 nan 0.000 0.467 390 A N 1.434 124.601 122.820 0.578 0.000 1.855 390 A HA -0.049 4.271 4.320 0.000 0.000 0.215 390 A C 2.230 179.948 177.584 0.225 0.000 1.191 390 A CA 1.877 54.038 52.037 0.208 0.000 0.613 390 A CB -1.292 17.614 19.000 -0.157 0.000 0.829 390 A HN 0.704 nan 8.150 nan 0.000 0.442 391 H N -0.144 119.001 119.070 0.124 0.000 2.352 391 H HA -0.143 4.413 4.556 0.000 0.000 0.299 391 H C 2.136 177.510 175.328 0.077 0.000 1.097 391 H CA 2.297 58.381 56.048 0.060 0.000 1.311 391 H CB -0.252 29.540 29.762 0.049 0.000 1.377 391 H HN 0.592 nan 8.280 nan 0.000 0.504 392 Q N -1.085 118.802 119.800 0.146 0.000 2.077 392 Q HA -0.253 4.087 4.340 0.000 0.000 0.206 392 Q C 2.105 178.071 176.000 -0.057 0.000 0.989 392 Q CA 1.993 57.834 55.803 0.062 0.000 0.853 392 Q CB -0.404 28.504 28.738 0.283 0.000 0.907 392 Q HN 0.689 nan 8.270 nan 0.000 0.418 393 Y N 1.028 121.293 120.300 -0.058 0.000 2.181 393 Y HA -0.196 4.354 4.550 0.000 0.000 0.288 393 Y C 2.144 177.979 175.900 -0.110 0.000 1.146 393 Y CA 1.396 59.399 58.100 -0.162 0.000 1.164 393 Y CB 0.051 38.526 38.460 0.025 0.000 0.982 393 Y HN -0.081 nan 8.280 nan 0.000 0.515 394 R N 0.044 120.346 120.500 -0.331 0.000 2.091 394 R HA -0.200 4.140 4.340 0.000 0.000 0.238 394 R C 2.528 178.523 176.300 -0.509 0.000 1.136 394 R CA 1.919 57.770 56.100 -0.415 0.000 0.959 394 R CB -0.389 29.781 30.300 -0.216 0.000 0.856 394 R HN 0.382 nan 8.270 nan 0.000 0.437 395 R N 0.463 120.670 120.500 -0.489 0.000 2.080 395 R HA -0.080 4.260 4.340 0.000 0.000 0.222 395 R C 0.907 177.022 176.300 -0.308 0.000 1.107 395 R CA 1.519 57.353 56.100 -0.443 0.000 0.980 395 R CB 0.196 30.189 30.300 -0.510 0.000 0.879 395 R HN 0.099 nan 8.270 nan 0.000 0.439 396 D N -0.633 119.606 120.400 -0.267 0.000 2.305 396 D HA 0.005 4.645 4.640 0.000 0.000 0.206 396 D C 1.460 177.675 176.300 -0.142 0.000 0.974 396 D CA 0.631 54.526 54.000 -0.173 0.000 0.871 396 D CB 0.772 41.489 40.800 -0.139 0.000 0.947 396 D HN 0.109 nan 8.370 nan 0.000 0.516 397 V N -0.176 119.600 119.914 -0.229 0.000 3.054 397 V HA 0.016 4.136 4.120 0.000 0.000 0.227 397 V C 1.693 177.717 176.094 -0.118 0.000 1.252 397 V CA -0.137 62.066 62.300 -0.162 0.000 1.279 397 V CB -0.107 31.615 31.823 -0.169 0.000 1.118 397 V HN -0.040 nan 8.190 nan 0.000 0.504 398 F N 2.416 121.976 119.950 -0.651 0.000 2.046 398 F HA -0.159 4.368 4.527 0.000 0.000 0.297 398 F C 2.584 178.257 175.800 -0.212 0.000 1.123 398 F CA 2.546 60.243 58.000 -0.505 0.000 1.199 398 F CB -0.564 37.944 39.000 -0.820 0.000 0.972 398 F HN 0.095 nan 8.300 nan 0.000 0.474 399 R N 0.728 121.066 120.500 -0.269 0.000 2.082 399 R HA -0.114 4.226 4.340 0.000 0.000 0.234 399 R C -0.818 175.473 176.300 -0.014 0.000 1.136 399 R CA 2.067 57.936 56.100 -0.385 0.000 0.935 399 R CB -1.918 28.025 30.300 -0.596 0.000 0.842 399 R HN 0.184 nan 8.270 nan 0.000 0.430 400 P HA -0.104 nan 4.420 nan 0.000 0.216 400 P C 1.069 178.481 177.300 0.185 0.000 1.150 400 P CA 1.174 64.315 63.100 0.069 0.000 0.837 400 P CB -0.237 31.483 31.700 0.033 0.000 0.786 401 F N -1.266 118.775 119.950 0.152 0.000 2.171 401 F HA -0.191 4.336 4.527 0.000 0.000 0.300 401 F C 1.903 177.972 175.800 0.448 0.000 1.090 401 F CA 1.318 59.481 58.000 0.273 0.000 1.293 401 F CB -0.377 38.819 39.000 0.328 0.000 1.013 401 F HN -0.227 nan 8.300 nan 0.000 0.486 402 F N 0.949 121.041 119.950 0.237 0.000 2.206 402 F HA -0.113 4.414 4.527 0.000 0.000 0.298 402 F C 2.186 178.088 175.800 0.171 0.000 1.090 402 F CA 1.298 59.429 58.000 0.218 0.000 1.323 402 F CB -0.966 38.254 39.000 0.366 0.000 1.028 402 F HN -0.065 nan 8.300 nan 0.000 0.492 403 D N -0.102 120.489 120.400 0.318 0.000 2.144 403 D HA -0.197 4.443 4.640 0.000 0.000 0.199 403 D C 2.177 178.454 176.300 -0.038 0.000 0.984 403 D CA 1.122 55.220 54.000 0.162 0.000 0.834 403 D CB -0.355 40.513 40.800 0.112 0.000 0.955 403 D HN 0.382 nan 8.370 nan 0.000 0.465 404 E N -0.739 119.355 120.200 -0.176 0.000 2.118 404 E HA -0.205 4.145 4.350 0.000 0.000 0.195 404 E C 1.155 177.397 176.600 -0.596 0.000 0.992 404 E CA 1.036 57.160 56.400 -0.460 0.000 0.804 404 E CB -0.009 29.244 29.700 -0.745 0.000 0.741 404 E HN 0.445 nan 8.360 nan 0.000 0.458 405 Y N -1.004 119.180 120.300 -0.194 0.000 2.458 405 Y HA 0.200 4.750 4.550 0.000 0.000 0.254 405 Y C 1.647 177.445 175.900 -0.171 0.000 1.120 405 Y CA -0.067 57.908 58.100 -0.209 0.000 1.282 405 Y CB 0.609 38.879 38.460 -0.317 0.000 1.109 405 Y HN -0.008 nan 8.280 nan 0.000 0.526 406 L N -0.640 120.572 121.223 -0.018 0.000 2.609 406 L HA 0.190 4.530 4.340 0.000 0.000 0.230 406 L C 0.106 176.918 176.870 -0.097 0.000 1.087 406 L CA 0.476 55.286 54.840 -0.049 0.000 0.874 406 L CB 0.397 42.461 42.059 0.009 0.000 1.114 406 L HN -0.146 nan 8.230 nan 0.000 0.488 407 K N 1.155 121.505 120.400 -0.083 0.000 2.592 407 K HA 0.323 4.643 4.320 0.000 0.000 0.212 407 K C -2.496 174.051 176.600 -0.088 0.000 1.013 407 K CA -1.785 54.443 56.287 -0.098 0.000 1.034 407 K CB 1.349 33.799 32.500 -0.083 0.000 1.292 407 K HN -0.229 nan 8.250 nan 0.000 0.521 408 P HA -0.108 nan 4.420 nan 0.000 0.261 408 P C 0.813 178.071 177.300 -0.069 0.000 1.173 408 P CA 1.211 64.265 63.100 -0.076 0.000 0.760 408 P CB 0.632 32.293 31.700 -0.065 0.000 0.783 409 G N 1.569 110.328 108.800 -0.069 0.000 2.213 409 G HA2 -0.225 3.735 3.960 0.000 0.000 0.236 409 G HA3 -0.225 3.735 3.960 0.000 0.000 0.236 409 G C 0.458 175.322 174.900 -0.061 0.000 0.991 409 G CA -0.060 45.006 45.100 -0.057 0.000 0.629 409 G HN 0.579 nan 8.290 nan 0.000 0.517 410 S N 0.900 116.554 115.700 -0.076 0.000 2.579 410 S HA 0.609 5.079 4.470 0.000 0.000 0.275 410 S C 0.968 175.518 174.600 -0.084 0.000 1.345 410 S CA 0.217 58.373 58.200 -0.073 0.000 1.031 410 S CB 1.282 64.436 63.200 -0.076 0.000 0.892 410 S HN 1.595 nan 8.310 nan 0.000 0.529 411 A N 2.498 125.280 122.820 -0.065 0.000 2.483 411 A HA 0.397 4.717 4.320 0.000 0.000 0.238 411 A C 0.578 178.103 177.584 -0.098 0.000 1.070 411 A CA -0.209 51.792 52.037 -0.059 0.000 0.770 411 A CB 0.042 19.022 19.000 -0.033 0.000 1.008 411 A HN 0.664 nan 8.150 nan 0.000 0.497 412 S N -0.681 114.957 115.700 -0.103 0.000 2.610 412 S HA 0.512 4.982 4.470 0.000 0.000 0.273 412 S C 0.060 174.554 174.600 -0.177 0.000 1.274 412 S CA -0.130 57.955 58.200 -0.192 0.000 1.023 412 S CB 1.171 64.246 63.200 -0.210 0.000 0.962 412 S HN 1.393 nan 8.310 nan 0.000 0.523 413 V N 1.010 120.787 119.914 -0.229 0.000 2.680 413 V HA 0.595 4.715 4.120 0.000 0.000 0.309 413 V C -0.957 175.007 176.094 -0.216 0.000 1.052 413 V CA -0.654 61.591 62.300 -0.092 0.000 0.908 413 V CB 1.600 33.478 31.823 0.092 0.000 1.001 413 V HN 0.916 nan 8.190 nan 0.000 0.431 414 H N 5.251 124.401 119.070 0.133 0.000 2.645 414 H HA 0.475 5.031 4.556 0.000 0.000 0.257 414 H C -0.553 174.867 175.328 0.154 0.000 1.269 414 H CA -0.308 55.827 56.048 0.144 0.000 1.409 414 H CB 1.312 31.134 29.762 0.100 0.000 1.434 414 H HN 0.591 nan 8.280 nan 0.000 0.505 415 L N 4.208 125.577 121.223 0.244 0.000 2.417 415 L HA 0.232 4.572 4.340 0.000 0.000 0.268 415 L C -1.391 175.601 176.870 0.202 0.000 1.158 415 L CA -1.576 53.382 54.840 0.195 0.000 0.819 415 L CB 0.479 42.591 42.059 0.089 0.000 1.112 415 L HN 0.326 nan 8.230 nan 0.000 0.458 416 P HA 0.156 nan 4.420 nan 0.000 0.297 416 P C -0.188 177.233 177.300 0.202 0.000 1.303 416 P CA -0.447 62.774 63.100 0.202 0.000 0.753 416 P CB 0.909 32.737 31.700 0.214 0.000 1.281 417 D N -0.848 119.712 120.400 0.266 0.000 2.104 417 D HA 0.031 4.671 4.640 0.000 0.000 0.194 417 D C 0.572 177.024 176.300 0.253 0.000 0.994 417 D CA 1.583 55.818 54.000 0.391 0.000 0.830 417 D CB -0.298 40.807 40.800 0.508 0.000 0.959 417 D HN 0.524 nan 8.370 nan 0.000 0.452 418 A N -0.562 122.303 122.820 0.076 0.000 2.520 418 A HA 0.646 4.966 4.320 0.000 0.000 0.298 418 A C -1.222 176.176 177.584 -0.310 0.000 1.051 418 A CA -0.585 51.292 52.037 -0.266 0.000 0.690 418 A CB 1.328 19.975 19.000 -0.589 0.000 1.281 418 A HN 0.041 nan 8.150 nan 0.000 0.402 419 I N 2.860 123.168 120.570 -0.436 0.000 2.390 419 I HA 0.433 4.603 4.170 0.000 0.000 0.283 419 I C -1.015 174.899 176.117 -0.337 0.000 1.016 419 I CA -0.090 60.889 61.300 -0.535 0.000 1.151 419 I CB 1.080 38.675 38.000 -0.675 0.000 1.293 419 I HN 0.470 nan 8.210 nan 0.000 0.458 420 I N 5.762 126.163 120.570 -0.282 0.000 2.533 420 I HA 0.276 4.446 4.170 0.000 0.000 0.290 420 I C -0.734 175.240 176.117 -0.239 0.000 1.056 420 I CA -0.949 60.192 61.300 -0.265 0.000 1.057 420 I CB 2.203 39.944 38.000 -0.432 0.000 1.240 420 I HN 0.393 nan 8.210 nan 0.000 0.423 421 Y N 6.032 125.927 120.300 -0.675 0.000 2.411 421 Y HA 0.126 4.676 4.550 0.000 0.000 0.333 421 Y C 0.404 175.938 175.900 -0.611 0.000 1.186 421 Y CA 0.293 57.777 58.100 -1.027 0.000 1.381 421 Y CB 0.616 38.126 38.460 -1.583 0.000 1.273 421 Y HN 0.509 nan 8.280 nan 0.000 0.546 422 N N 3.207 121.320 118.700 -0.978 0.000 2.457 422 N HA 0.033 4.773 4.740 0.000 0.000 0.250 422 N C 0.388 175.572 175.510 -0.543 0.000 0.982 422 N CA 0.292 52.991 53.050 -0.586 0.000 0.941 422 N CB 1.243 39.462 38.487 -0.447 0.000 1.120 422 N HN 0.881 nan 8.380 nan 0.000 0.505 423 T N -0.161 114.280 114.554 -0.188 0.000 3.163 423 T HA 0.080 4.430 4.350 0.000 0.000 0.260 423 T C 1.351 176.084 174.700 0.055 0.000 1.156 423 T CA 0.682 62.845 62.100 0.105 0.000 1.072 423 T CB 0.169 69.175 68.868 0.230 0.000 0.937 423 T HN 0.435 nan 8.240 nan 0.000 0.528 424 G N 0.895 109.528 108.800 -0.278 0.000 2.763 424 G HA2 0.097 4.057 3.960 0.000 0.000 0.205 424 G HA3 0.097 4.057 3.960 0.000 0.000 0.205 424 G C 1.099 175.832 174.900 -0.278 0.000 1.137 424 G CA 0.034 44.852 45.100 -0.470 0.000 0.839 424 G HN 0.389 nan 8.290 nan 0.000 0.596 425 D N 0.736 120.971 120.400 -0.275 0.000 2.347 425 D HA 0.075 4.715 4.640 0.000 0.000 0.213 425 D C 0.485 176.649 176.300 -0.226 0.000 0.985 425 D CA 0.275 54.144 54.000 -0.218 0.000 0.879 425 D CB 0.131 40.804 40.800 -0.211 0.000 0.919 425 D HN 0.098 nan 8.370 nan 0.000 0.526 426 Q N -0.263 119.351 119.800 -0.310 0.000 2.454 426 Q HA -0.225 4.115 4.340 0.000 0.000 0.341 426 Q C -0.409 175.354 176.000 -0.396 0.000 1.437 426 Q CA 0.906 56.537 55.803 -0.288 0.000 0.935 426 Q CB -1.931 26.809 28.738 0.004 0.000 1.164 426 Q HN 0.586 nan 8.270 nan 0.000 0.373 427 K N -2.516 117.393 120.400 -0.818 0.000 2.642 427 K HA 0.592 4.912 4.320 0.000 0.000 0.290 427 K C -1.346 174.830 176.600 -0.708 0.000 1.006 427 K CA -1.038 54.941 56.287 -0.513 0.000 0.869 427 K CB 0.650 33.026 32.500 -0.207 0.000 1.499 427 K HN -0.018 nan 8.250 nan 0.000 0.403 428 W N 1.605 122.779 121.300 -0.210 0.000 2.287 428 W HA 0.294 4.954 4.660 0.000 0.000 0.313 428 W C -0.555 175.857 176.519 -0.179 0.000 1.267 428 W CA 0.277 57.526 57.345 -0.160 0.000 1.201 428 W CB 1.000 30.474 29.460 0.023 0.000 1.196 428 W HN 0.376 nan 8.180 nan 0.000 0.536 429 D N 2.445 122.787 120.400 -0.097 0.000 2.256 429 D HA 0.184 4.824 4.640 0.000 0.000 0.240 429 D C -1.223 174.792 176.300 -0.475 0.000 1.062 429 D CA -0.582 53.207 54.000 -0.350 0.000 0.832 429 D CB 0.992 41.380 40.800 -0.686 0.000 1.135 429 D HN 0.237 nan 8.370 nan 0.000 0.484 430 Y N 1.660 121.707 120.300 -0.422 0.000 2.385 430 Y HA 0.258 4.808 4.550 0.000 0.000 0.341 430 Y C -0.328 175.406 175.900 -0.277 0.000 0.965 430 Y CA -0.748 57.189 58.100 -0.273 0.000 1.180 430 Y CB 0.733 39.123 38.460 -0.118 0.000 1.139 430 Y HN 0.284 nan 8.280 nan 0.000 0.502 431 Y N 3.483 123.826 120.300 0.071 0.000 2.417 431 Y HA 0.275 4.825 4.550 0.000 0.000 0.336 431 Y C 1.435 177.435 175.900 0.167 0.000 0.961 431 Y CA -0.819 57.357 58.100 0.127 0.000 1.215 431 Y CB 1.109 39.657 38.460 0.147 0.000 1.120 431 Y HN 0.629 nan 8.280 nan 0.000 0.499 432 R N 1.278 121.970 120.500 0.320 0.000 2.096 432 R HA -0.103 4.237 4.340 0.000 0.000 0.240 432 R C -0.199 176.258 176.300 0.261 0.000 1.139 432 R CA 1.405 57.653 56.100 0.246 0.000 0.952 432 R CB 0.092 30.506 30.300 0.190 0.000 0.854 432 R HN 0.479 nan 8.270 nan 0.000 0.436 433 S N -1.238 114.627 115.700 0.275 0.000 2.502 433 S HA 0.395 4.866 4.470 0.000 0.000 0.304 433 S C -1.774 173.020 174.600 0.324 0.000 1.097 433 S CA -0.631 57.718 58.200 0.249 0.000 1.045 433 S CB 1.872 65.158 63.200 0.144 0.000 1.019 433 S HN 0.374 nan 8.310 nan 0.000 0.481 434 W N 4.377 125.758 121.300 0.135 0.000 3.256 434 W HA 0.549 5.209 4.660 0.000 0.000 0.324 434 W C -3.002 173.614 176.519 0.162 0.000 1.196 434 W CA -1.611 55.771 57.345 0.062 0.000 1.206 434 W CB 1.132 30.628 29.460 0.061 0.000 1.385 434 W HN 0.401 nan 8.180 nan 0.000 0.522 435 P HA 0.215 nan 4.420 nan 0.000 0.276 435 P C 0.261 177.231 177.300 -0.551 0.000 1.261 435 P CA -0.099 62.203 63.100 -1.330 0.000 0.800 435 P CB 1.443 32.297 31.700 -1.411 0.000 1.066 436 S N -1.028 114.391 115.700 -0.467 0.000 2.517 436 S HA 0.202 4.672 4.470 0.000 0.000 0.214 436 S C 0.580 175.060 174.600 -0.200 0.000 0.991 436 S CA 0.060 58.121 58.200 -0.231 0.000 0.906 436 S CB -0.692 62.417 63.200 -0.152 0.000 0.789 436 S HN 0.395 nan 8.310 nan 0.000 0.513 437 V N -0.539 119.221 119.914 -0.258 0.000 2.841 437 V HA 0.923 5.043 4.120 0.000 0.000 0.310 437 V C -0.319 175.646 176.094 -0.215 0.000 1.090 437 V CA -0.832 61.356 62.300 -0.187 0.000 0.930 437 V CB 0.562 32.299 31.823 -0.142 0.000 1.014 437 V HN 0.895 nan 8.190 nan 0.000 0.425 438 C N 1.246 120.456 119.300 -0.150 0.000 3.233 438 C HA 0.544 5.004 4.460 0.000 0.000 0.358 438 C C 1.029 175.974 174.990 -0.075 0.000 1.461 438 C CA 0.001 58.939 59.018 -0.134 0.000 1.180 438 C CB 1.111 28.752 27.740 -0.164 0.000 1.604 438 C HN 0.989 nan 8.230 nan 0.000 0.437 439 E N 1.171 121.344 120.200 -0.046 0.000 2.153 439 E HA 0.012 4.362 4.350 0.000 0.000 0.194 439 E C 0.797 177.391 176.600 -0.009 0.000 0.988 439 E CA 1.912 58.310 56.400 -0.005 0.000 0.811 439 E CB 0.057 29.784 29.700 0.045 0.000 0.746 439 E HN 0.877 nan 8.360 nan 0.000 0.466 440 S N -1.394 114.292 115.700 -0.024 0.000 2.570 440 S HA 0.270 4.740 4.470 0.000 0.000 0.270 440 S C -0.480 174.097 174.600 -0.038 0.000 1.149 440 S CA -0.811 57.375 58.200 -0.023 0.000 0.837 440 S CB 1.253 64.447 63.200 -0.009 0.000 1.124 440 S HN 0.287 nan 8.310 nan 0.000 0.465 441 N N -0.578 118.102 118.700 -0.033 0.000 2.727 441 N HA -0.162 4.578 4.740 0.000 0.000 0.249 441 N C -0.707 174.771 175.510 -0.053 0.000 1.048 441 N CA 0.709 53.736 53.050 -0.038 0.000 0.714 441 N CB -1.593 36.873 38.487 -0.036 0.000 0.959 441 N HN 0.676 nan 8.380 nan 0.000 0.544 442 C N -1.673 117.593 119.300 -0.057 0.000 2.971 442 C HA 0.339 4.799 4.460 0.000 0.000 0.310 442 C C 2.229 177.185 174.990 -0.056 0.000 1.285 442 C CA -0.488 58.487 59.018 -0.072 0.000 1.593 442 C CB 1.685 29.361 27.740 -0.106 0.000 2.076 442 C HN 0.448 nan 8.230 nan 0.000 0.472 443 T N 0.883 115.402 114.554 -0.057 0.000 2.684 443 T HA 0.044 4.394 4.350 0.000 0.000 0.267 443 T C 0.758 175.433 174.700 -0.043 0.000 1.036 443 T CA 1.902 63.977 62.100 -0.042 0.000 1.148 443 T CB -0.264 68.582 68.868 -0.037 0.000 0.863 443 T HN 0.930 nan 8.240 nan 0.000 0.436 444 G N -0.946 107.819 108.800 -0.059 0.000 2.730 444 G HA2 0.629 4.589 3.960 0.000 0.000 0.289 444 G HA3 0.629 4.589 3.960 0.000 0.000 0.289 444 G C -0.493 174.371 174.900 -0.060 0.000 1.341 444 G CA -0.309 44.760 45.100 -0.053 0.000 0.932 444 G HN 0.432 nan 8.290 nan 0.000 0.481 445 G N -1.396 107.376 108.800 -0.047 0.000 2.667 445 G HA2 0.551 4.511 3.960 0.000 0.000 0.310 445 G HA3 0.551 4.511 3.960 0.000 0.000 0.310 445 G C -0.949 173.924 174.900 -0.044 0.000 1.259 445 G CA -0.659 44.416 45.100 -0.041 0.000 1.019 445 G HN 0.458 nan 8.290 nan 0.000 0.496 446 L N 0.015 121.217 121.223 -0.035 0.000 2.436 446 L HA 0.436 4.776 4.340 0.000 0.000 0.265 446 L C 0.785 177.646 176.870 -0.015 0.000 1.168 446 L CA -0.077 54.743 54.840 -0.034 0.000 0.815 446 L CB 1.305 43.341 42.059 -0.038 0.000 1.109 446 L HN 0.374 nan 8.230 nan 0.000 0.462 447 T N 3.382 117.935 114.554 -0.002 0.000 2.788 447 T HA 0.424 4.774 4.350 0.000 0.000 0.296 447 T C -2.493 172.230 174.700 0.037 0.000 1.009 447 T CA -1.260 60.860 62.100 0.034 0.000 0.949 447 T CB 1.338 70.220 68.868 0.024 0.000 0.946 447 T HN 0.293 nan 8.240 nan 0.000 0.453 448 P HA 0.275 nan 4.420 nan 0.000 0.271 448 P C -0.835 176.249 177.300 -0.361 0.000 1.216 448 P CA -0.738 62.160 63.100 -0.336 0.000 0.771 448 P CB 0.514 31.790 31.700 -0.707 0.000 0.864 449 L N 5.447 126.409 121.223 -0.436 0.000 2.301 449 L HA 0.405 4.745 4.340 0.000 0.000 0.278 449 L C -1.265 175.328 176.870 -0.461 0.000 1.022 449 L CA -0.755 53.775 54.840 -0.516 0.000 0.854 449 L CB -0.293 41.456 42.059 -0.516 0.000 1.226 449 L HN 0.204 nan 8.230 nan 0.000 0.429 450 Y N 4.377 124.530 120.300 -0.245 0.000 2.299 450 Y HA 0.400 4.950 4.550 0.000 0.000 0.326 450 Y C 0.149 175.890 175.900 -0.265 0.000 1.164 450 Y CA -0.484 57.479 58.100 -0.229 0.000 1.234 450 Y CB 0.810 39.140 38.460 -0.217 0.000 1.219 450 Y HN 0.377 nan 8.280 nan 0.000 0.497 451 L N 2.732 123.871 121.223 -0.140 0.000 2.439 451 L HA 0.521 4.861 4.340 0.000 0.000 0.269 451 L C 0.310 177.026 176.870 -0.256 0.000 1.179 451 L CA 0.204 54.832 54.840 -0.354 0.000 0.828 451 L CB 0.247 41.911 42.059 -0.657 0.000 1.106 451 L HN 0.846 nan 8.230 nan 0.000 0.467 452 A N 1.727 124.358 122.820 -0.316 0.000 2.583 452 A HA 0.465 4.785 4.320 0.000 0.000 0.289 452 A C -0.819 176.441 177.584 -0.539 0.000 1.151 452 A CA -0.732 51.079 52.037 -0.376 0.000 0.695 452 A CB 0.688 19.595 19.000 -0.156 0.000 1.290 452 A HN 0.596 nan 8.150 nan 0.000 0.419 453 D N -0.407 119.742 120.400 -0.417 0.000 2.390 453 D HA 0.343 4.983 4.640 0.000 0.000 0.236 453 D C 1.312 177.530 176.300 -0.136 0.000 1.189 453 D CA 2.102 55.955 54.000 -0.246 0.000 0.887 453 D CB 0.505 41.273 40.800 -0.053 0.000 1.198 453 D HN 1.517 nan 8.370 nan 0.000 0.444 454 G N 1.889 110.637 108.800 -0.086 0.000 2.225 454 G HA2 -0.333 3.627 3.960 0.000 0.000 0.267 454 G HA3 -0.333 3.627 3.960 0.000 0.000 0.267 454 G C 0.294 175.234 174.900 0.067 0.000 1.024 454 G CA 0.952 46.061 45.100 0.015 0.000 0.784 454 G HN 0.853 nan 8.290 nan 0.000 0.507 455 H N -2.328 116.684 119.070 -0.096 0.000 2.692 455 H HA -0.071 4.485 4.556 0.000 0.000 0.316 455 H C 1.433 176.760 175.328 -0.001 0.000 1.176 455 H CA 1.962 57.903 56.048 -0.178 0.000 1.142 455 H CB -1.303 28.261 29.762 -0.330 0.000 1.475 455 H HN 1.308 nan 8.280 nan 0.000 0.423 456 G N -0.544 108.325 108.800 0.115 0.000 2.552 456 G HA2 0.703 4.663 3.960 0.000 0.000 0.324 456 G HA3 0.703 4.663 3.960 0.000 0.000 0.324 456 G C -0.713 174.220 174.900 0.055 0.000 1.217 456 G CA -0.918 44.222 45.100 0.067 0.000 0.989 456 G HN 0.175 nan 8.290 nan 0.000 0.490 457 L N 0.213 121.424 121.223 -0.021 0.000 2.431 457 L HA 0.669 5.009 4.340 0.000 0.000 0.266 457 L C -0.310 176.469 176.870 -0.152 0.000 0.978 457 L CA -0.702 54.073 54.840 -0.109 0.000 0.822 457 L CB 2.388 44.358 42.059 -0.147 0.000 1.310 457 L HN 0.640 nan 8.230 nan 0.000 0.409 458 S N 0.782 116.376 115.700 -0.177 0.000 2.550 458 S HA 0.522 4.992 4.470 0.000 0.000 0.270 458 S C -0.078 174.435 174.600 -0.145 0.000 1.145 458 S CA -0.475 57.640 58.200 -0.141 0.000 0.852 458 S CB 1.134 64.326 63.200 -0.013 0.000 1.119 458 S HN 0.450 nan 8.310 nan 0.000 0.465 459 F N 1.543 121.544 119.950 0.086 0.000 2.780 459 F HA 0.172 4.699 4.527 0.000 0.000 0.299 459 F C 1.378 177.319 175.800 0.235 0.000 1.146 459 F CA 0.293 58.367 58.000 0.123 0.000 1.428 459 F CB 0.326 39.359 39.000 0.055 0.000 1.115 459 F HN 0.375 nan 8.300 nan 0.000 0.583 460 T N -0.889 113.843 114.554 0.296 0.000 2.771 460 T HA 0.064 4.414 4.350 0.000 0.000 0.291 460 T C -0.557 174.142 174.700 -0.002 0.000 0.954 460 T CA -0.405 61.799 62.100 0.173 0.000 1.045 460 T CB 0.330 69.253 68.868 0.092 0.000 0.917 460 T HN 0.119 nan 8.240 nan 0.000 0.484 461 H N 4.954 123.822 119.070 -0.337 0.000 3.082 461 H HA 0.216 4.772 4.556 0.000 0.000 0.275 461 H C -2.151 172.907 175.328 -0.451 0.000 1.032 461 H CA -1.522 53.974 56.048 -0.920 0.000 1.477 461 H CB 0.291 29.641 29.762 -0.687 0.000 1.520 461 H HN 0.284 nan 8.280 nan 0.000 0.521 462 P HA 0.045 nan 4.420 nan 0.000 0.271 462 P C -0.071 177.273 177.300 0.074 0.000 1.220 462 P CA -0.039 63.025 63.100 -0.060 0.000 0.768 462 P CB 1.341 32.998 31.700 -0.073 0.000 0.848 463 A N 3.545 126.381 122.820 0.027 0.000 1.897 463 A HA 0.181 4.501 4.320 0.000 0.000 0.215 463 A C 1.224 178.809 177.584 0.001 0.000 1.181 463 A CA 1.379 53.415 52.037 -0.001 0.000 0.620 463 A CB -0.981 17.998 19.000 -0.035 0.000 0.821 463 A HN 0.626 nan 8.150 nan 0.000 0.443 464 A N 0.147 122.966 122.820 -0.002 0.000 2.287 464 A HA 0.471 4.791 4.320 0.000 0.000 0.273 464 A C -0.471 177.100 177.584 -0.023 0.000 1.091 464 A CA -0.452 51.579 52.037 -0.011 0.000 0.817 464 A CB 0.169 19.163 19.000 -0.011 0.000 1.069 464 A HN 0.433 nan 8.150 nan 0.000 0.492 465 D N -0.399 119.978 120.400 -0.039 0.000 2.253 465 D HA 0.574 5.214 4.640 0.000 0.000 0.249 465 D C 0.131 176.243 176.300 -0.314 0.000 1.049 465 D CA 0.645 54.591 54.000 -0.091 0.000 0.929 465 D CB 1.854 42.706 40.800 0.086 0.000 1.176 465 D HN 0.799 nan 8.370 nan 0.000 0.437 466 G N -0.900 107.397 108.800 -0.839 0.000 2.601 466 G HA2 0.604 4.564 3.960 0.000 0.000 0.291 466 G HA3 0.604 4.564 3.960 0.000 0.000 0.291 466 G C -1.977 172.148 174.900 -1.292 0.000 1.456 466 G CA -0.525 44.022 45.100 -0.922 0.000 0.804 466 G HN 0.572 nan 8.290 nan 0.000 0.499 467 A N 0.529 122.969 122.820 -0.634 0.000 2.547 467 A HA 0.782 5.102 4.320 0.000 0.000 0.297 467 A C -1.786 175.799 177.584 0.003 0.000 1.056 467 A CA -0.693 51.167 52.037 -0.295 0.000 0.688 467 A CB 1.959 20.892 19.000 -0.112 0.000 1.282 467 A HN 0.481 nan 8.150 nan 0.000 0.400 468 D N 1.277 121.764 120.400 0.146 0.000 2.362 468 D HA 0.641 5.281 4.640 0.000 0.000 0.247 468 D C -0.420 176.017 176.300 0.228 0.000 1.050 468 D CA 0.073 54.185 54.000 0.188 0.000 0.839 468 D CB 2.118 43.036 40.800 0.197 0.000 1.283 468 D HN 0.406 nan 8.370 nan 0.000 0.477 469 S N 0.987 116.810 115.700 0.204 0.000 2.621 469 S HA 0.758 5.228 4.470 0.000 0.000 0.302 469 S C -0.775 173.990 174.600 0.275 0.000 1.093 469 S CA -0.852 57.458 58.200 0.183 0.000 1.017 469 S CB 1.356 64.618 63.200 0.104 0.000 1.077 469 S HN 0.506 nan 8.310 nan 0.000 0.517 470 Y N -2.142 118.238 120.300 0.133 0.000 2.552 470 Y HA 0.735 5.285 4.550 0.000 0.000 0.337 470 Y C -1.508 174.451 175.900 0.098 0.000 1.094 470 Y CA -1.441 56.725 58.100 0.109 0.000 1.028 470 Y CB 0.350 38.880 38.460 0.117 0.000 1.321 470 Y HN 0.340 nan 8.280 nan 0.000 0.456 471 V N 2.584 122.601 119.914 0.173 0.000 2.465 471 V HA 0.463 4.583 4.120 0.000 0.000 0.279 471 V C -0.128 176.058 176.094 0.154 0.000 1.045 471 V CA -0.375 61.974 62.300 0.082 0.000 0.938 471 V CB 1.383 33.254 31.823 0.080 0.000 0.986 471 V HN 0.818 nan 8.190 nan 0.000 0.467 472 S N 3.284 119.027 115.700 0.073 0.000 2.520 472 S HA 0.328 4.798 4.470 0.000 0.000 0.324 472 S C -0.793 173.855 174.600 0.080 0.000 1.069 472 S CA -0.645 57.621 58.200 0.110 0.000 1.121 472 S CB 0.482 63.713 63.200 0.051 0.000 0.971 472 S HN 0.823 nan 8.310 nan 0.000 0.463 473 D N 5.380 125.847 120.400 0.111 0.000 2.392 473 D HA 0.444 5.084 4.640 0.000 0.000 0.228 473 D C -1.849 174.498 176.300 0.078 0.000 1.074 473 D CA -2.263 51.804 54.000 0.112 0.000 0.838 473 D CB 1.940 42.846 40.800 0.177 0.000 1.067 473 D HN 0.217 nan 8.370 nan 0.000 0.511 474 P HA -0.002 nan 4.420 nan 0.000 0.225 474 P C 0.754 177.949 177.300 -0.175 0.000 1.148 474 P CA 0.579 63.662 63.100 -0.028 0.000 0.779 474 P CB 0.316 32.077 31.700 0.101 0.000 0.780 475 A N -1.375 121.353 122.820 -0.153 0.000 2.119 475 A HA -0.075 4.245 4.320 0.000 0.000 0.216 475 A C 0.474 177.734 177.584 -0.541 0.000 1.152 475 A CA 0.983 52.813 52.037 -0.344 0.000 0.708 475 A CB -1.000 17.811 19.000 -0.314 0.000 0.805 475 A HN 0.271 nan 8.150 nan 0.000 0.460 476 H N -0.368 118.692 119.070 -0.017 0.000 2.439 476 H HA 0.269 4.825 4.556 0.000 0.000 0.230 476 H C -2.775 172.601 175.328 0.079 0.000 1.420 476 H CA -1.665 54.422 56.048 0.065 0.000 1.305 476 H CB 0.580 30.386 29.762 0.073 0.000 1.667 476 H HN 0.291 nan 8.280 nan 0.000 0.515 477 P HA 0.006 nan 4.420 nan 0.000 0.274 477 P C 0.136 177.625 177.300 0.315 0.000 1.231 477 P CA -0.330 62.820 63.100 0.084 0.000 0.790 477 P CB 1.640 33.191 31.700 -0.249 0.000 0.951 478 V N 3.799 123.897 119.914 0.306 0.000 2.479 478 V HA 0.107 4.227 4.120 0.000 0.000 0.281 478 V C -1.922 174.446 176.094 0.457 0.000 1.031 478 V CA -1.347 61.147 62.300 0.324 0.000 1.038 478 V CB -0.058 31.921 31.823 0.261 0.000 0.981 478 V HN 0.549 nan 8.190 nan 0.000 0.478 479 P HA 0.074 nan 4.420 nan 0.000 0.267 479 P C 0.501 177.974 177.300 0.289 0.000 1.205 479 P CA -0.213 63.101 63.100 0.357 0.000 0.765 479 P CB 0.321 32.068 31.700 0.079 0.000 0.828 480 F N 4.748 124.726 119.950 0.046 0.000 2.325 480 F HA 0.088 4.615 4.527 0.000 0.000 0.299 480 F C 0.609 176.311 175.800 -0.164 0.000 1.090 480 F CA 0.357 58.264 58.000 -0.155 0.000 1.392 480 F CB -0.637 37.859 39.000 -0.838 0.000 1.053 480 F HN 0.152 nan 8.300 nan 0.000 0.521 481 I N -3.151 116.878 120.570 -0.901 0.000 3.095 481 I HA 0.514 4.684 4.170 0.000 0.000 0.310 481 I C -0.267 175.593 176.117 -0.429 0.000 1.196 481 I CA -1.439 59.452 61.300 -0.682 0.000 0.985 481 I CB 1.681 39.121 38.000 -0.933 0.000 1.250 481 I HN -0.282 nan 8.210 nan 0.000 0.446 482 S N 1.953 117.497 115.700 -0.260 0.000 2.558 482 S HA 0.167 4.637 4.470 0.000 0.000 0.293 482 S C 0.180 174.692 174.600 -0.147 0.000 1.292 482 S CA -0.351 57.749 58.200 -0.165 0.000 1.063 482 S CB -0.000 63.132 63.200 -0.114 0.000 0.831 482 S HN 0.454 nan 8.310 nan 0.000 0.499 483 R N 2.741 123.162 120.500 -0.131 0.000 2.582 483 R HA 0.324 4.664 4.340 0.000 0.000 0.271 483 R C -2.001 174.266 176.300 -0.055 0.000 1.078 483 R CA -1.198 54.843 56.100 -0.098 0.000 1.127 483 R CB -0.145 30.045 30.300 -0.183 0.000 1.038 483 R HN 0.456 nan 8.270 nan 0.000 0.500 484 P HA 0.271 nan 4.420 nan 0.000 0.284 484 P C -1.381 175.962 177.300 0.072 0.000 1.258 484 P CA -0.343 62.765 63.100 0.014 0.000 0.824 484 P CB 0.845 32.547 31.700 0.003 0.000 1.038 485 F N 0.815 120.703 119.950 -0.103 0.000 2.581 485 F HA 0.641 5.168 4.527 0.000 0.000 0.311 485 F C -1.750 173.945 175.800 -0.175 0.000 1.113 485 F CA -0.616 57.288 58.000 -0.160 0.000 0.935 485 F CB 1.854 40.698 39.000 -0.261 0.000 1.232 485 F HN 0.543 nan 8.300 nan 0.000 0.445 486 A N 5.250 127.372 122.820 -1.165 0.000 2.371 486 A HA 0.543 4.863 4.320 0.000 0.000 0.311 486 A C -0.320 176.428 177.584 -1.393 0.000 1.068 486 A CA -0.617 50.845 52.037 -0.958 0.000 0.744 486 A CB 0.464 19.222 19.000 -0.403 0.000 1.239 486 A HN 0.862 nan 8.150 nan 0.000 0.435 487 F N 1.640 121.094 119.950 -0.826 0.000 2.307 487 F HA -0.184 4.343 4.527 0.000 0.000 0.301 487 F C 2.542 178.114 175.800 -0.380 0.000 1.076 487 F CA 1.855 59.504 58.000 -0.586 0.000 1.383 487 F CB 0.028 38.773 39.000 -0.425 0.000 1.055 487 F HN 0.662 nan 8.300 nan 0.000 0.526 488 A N -0.600 122.131 122.820 -0.149 0.000 2.067 488 A HA -0.142 4.178 4.320 0.000 0.000 0.219 488 A C 1.303 178.850 177.584 -0.062 0.000 1.158 488 A CA 0.527 52.516 52.037 -0.081 0.000 0.661 488 A CB -0.607 18.352 19.000 -0.067 0.000 0.801 488 A HN 0.370 nan 8.150 nan 0.000 0.452 489 Q N 0.955 120.681 119.800 -0.123 0.000 2.613 489 Q HA 0.188 4.528 4.340 0.000 0.000 0.228 489 Q C 0.769 176.864 176.000 0.157 0.000 1.318 489 Q CA -0.191 55.608 55.803 -0.007 0.000 0.907 489 Q CB 0.151 28.869 28.738 -0.034 0.000 1.593 489 Q HN 0.549 nan 8.270 nan 0.000 0.559 490 S N 0.495 116.283 115.700 0.148 0.000 2.383 490 S HA -0.211 4.259 4.470 0.000 0.000 0.229 490 S C 2.041 176.780 174.600 0.231 0.000 1.030 490 S CA 1.568 59.908 58.200 0.233 0.000 1.002 490 S CB -0.078 63.209 63.200 0.145 0.000 0.829 490 S HN 0.769 nan 8.310 nan 0.000 0.467 491 S N 1.960 117.746 115.700 0.144 0.000 2.419 491 S HA -0.083 4.387 4.470 0.000 0.000 0.235 491 S C 1.670 176.349 174.600 0.132 0.000 1.019 491 S CA 0.795 59.059 58.200 0.106 0.000 0.982 491 S CB -0.301 62.935 63.200 0.061 0.000 0.789 491 S HN 0.487 nan 8.310 nan 0.000 0.490 492 R N -0.987 119.637 120.500 0.207 0.000 2.237 492 R HA 0.181 4.521 4.340 0.000 0.000 0.195 492 R C 2.028 178.502 176.300 0.290 0.000 0.956 492 R CA 0.469 56.694 56.100 0.209 0.000 1.029 492 R CB -0.217 30.227 30.300 0.240 0.000 0.972 492 R HN 0.669 nan 8.270 nan 0.000 0.493 493 W N 2.751 124.200 121.300 0.248 0.000 2.407 493 W HA -0.096 4.564 4.660 0.000 0.000 0.305 493 W C 1.037 177.737 176.519 0.301 0.000 1.196 493 W CA 1.076 58.594 57.345 0.289 0.000 1.311 493 W CB 0.058 29.725 29.460 0.345 0.000 1.135 493 W HN -0.085 nan 8.180 nan 0.000 0.514 494 K N 0.109 120.571 120.400 0.104 0.000 2.044 494 K HA -0.187 4.133 4.320 0.000 0.000 0.210 494 K C -1.029 175.503 176.600 -0.113 0.000 1.049 494 K CA 2.001 58.257 56.287 -0.051 0.000 0.927 494 K CB -1.457 31.081 32.500 0.064 0.000 0.713 494 K HN 0.159 nan 8.250 nan 0.000 0.443 495 P HA -0.028 nan 4.420 nan 0.000 0.259 495 P C 0.360 177.570 177.300 -0.151 0.000 1.530 495 P CA -0.140 62.886 63.100 -0.124 0.000 1.022 495 P CB -0.504 31.144 31.700 -0.085 0.000 1.514 496 W N 0.316 121.456 121.300 -0.266 0.000 2.374 496 W HA -0.092 4.568 4.660 0.000 0.000 0.288 496 W C 0.553 176.961 176.519 -0.185 0.000 1.218 496 W CA 0.232 57.422 57.345 -0.258 0.000 1.245 496 W CB -1.439 27.838 29.460 -0.306 0.000 1.126 496 W HN -0.143 nan 8.180 nan 0.000 0.545 497 L N 1.979 122.633 121.223 -0.948 0.000 2.456 497 L HA -0.141 4.199 4.340 0.000 0.000 0.224 497 L C 2.259 178.874 176.870 -0.425 0.000 1.148 497 L CA 1.099 55.441 54.840 -0.830 0.000 0.825 497 L CB -0.520 41.169 42.059 -0.617 0.000 0.937 497 L HN -0.003 nan 8.230 nan 0.000 0.450 498 V N -4.718 114.916 119.914 -0.466 0.000 3.542 498 V HA 0.171 4.291 4.120 0.000 0.000 0.296 498 V C 0.907 176.943 176.094 -0.096 0.000 1.364 498 V CA -0.413 61.623 62.300 -0.439 0.000 1.118 498 V CB -0.286 31.079 31.823 -0.762 0.000 0.972 498 V HN 0.145 nan 8.190 nan 0.000 0.430 499 Q N 1.719 121.487 119.800 -0.054 0.000 2.394 499 Q HA 0.225 4.565 4.340 0.000 0.000 0.248 499 Q C -0.262 175.700 176.000 -0.064 0.000 0.992 499 Q CA 0.113 55.925 55.803 0.016 0.000 0.888 499 Q CB 0.852 29.591 28.738 0.002 0.000 1.257 499 Q HN 0.517 nan 8.270 nan 0.000 0.462 500 D N 1.495 121.709 120.400 -0.311 0.000 2.458 500 D HA -0.063 4.577 4.640 0.000 0.000 0.243 500 D C 0.133 176.277 176.300 -0.260 0.000 1.146 500 D CA 0.263 53.868 54.000 -0.658 0.000 0.877 500 D CB 0.726 40.989 40.800 -0.895 0.000 1.176 500 D HN 0.187 nan 8.370 nan 0.000 0.461 501 Q N 3.407 123.101 119.800 -0.178 0.000 2.222 501 Q HA 0.104 4.444 4.340 0.000 0.000 0.206 501 Q C 1.302 177.266 176.000 -0.060 0.000 0.877 501 Q CA -0.057 55.719 55.803 -0.045 0.000 0.958 501 Q CB 0.281 29.039 28.738 0.034 0.000 1.075 501 Q HN 0.490 nan 8.270 nan 0.000 0.483 502 R N 0.599 121.031 120.500 -0.115 0.000 2.115 502 R HA -0.110 4.230 4.340 0.000 0.000 0.230 502 R C 1.975 178.238 176.300 -0.062 0.000 1.111 502 R CA 0.963 57.010 56.100 -0.088 0.000 0.976 502 R CB 0.183 30.419 30.300 -0.107 0.000 0.870 502 R HN 0.375 nan 8.270 nan 0.000 0.445 503 E N 0.742 120.907 120.200 -0.058 0.000 2.058 503 E HA -0.221 4.129 4.350 0.000 0.000 0.194 503 E C 1.876 178.466 176.600 -0.017 0.000 0.997 503 E CA 1.373 57.749 56.400 -0.039 0.000 0.801 503 E CB -0.042 29.635 29.700 -0.038 0.000 0.746 503 E HN 0.340 nan 8.360 nan 0.000 0.450 504 A N 1.313 124.135 122.820 0.004 0.000 1.877 504 A HA -0.256 4.064 4.320 0.000 0.000 0.216 504 A C 2.092 179.667 177.584 -0.014 0.000 1.186 504 A CA 1.763 53.813 52.037 0.022 0.000 0.620 504 A CB -0.718 18.320 19.000 0.063 0.000 0.822 504 A HN 0.499 nan 8.150 nan 0.000 0.443 505 E N 0.499 120.682 120.200 -0.029 0.000 2.160 505 E HA -0.203 4.147 4.350 0.000 0.000 0.195 505 E C 1.980 178.541 176.600 -0.064 0.000 0.991 505 E CA 1.579 57.947 56.400 -0.053 0.000 0.810 505 E CB -0.126 29.541 29.700 -0.056 0.000 0.742 505 E HN 0.748 nan 8.360 nan 0.000 0.466 506 S N -0.173 115.497 115.700 -0.050 0.000 2.515 506 S HA -0.008 4.462 4.470 0.000 0.000 0.231 506 S C 0.808 175.383 174.600 -0.042 0.000 0.987 506 S CA -0.062 58.108 58.200 -0.050 0.000 0.936 506 S CB -0.110 63.065 63.200 -0.043 0.000 0.766 506 S HN 0.104 nan 8.310 nan 0.000 0.528 507 R N 1.919 122.399 120.500 -0.033 0.000 2.457 507 R HA 0.340 4.680 4.340 0.000 0.000 0.284 507 R C -1.847 174.441 176.300 -0.021 0.000 1.024 507 R CA -2.020 54.069 56.100 -0.018 0.000 1.025 507 R CB 0.316 30.618 30.300 0.004 0.000 1.063 507 R HN 0.123 nan 8.270 nan 0.000 0.493 508 P HA -0.075 nan 4.420 nan 0.000 0.241 508 P C -0.281 177.067 177.300 0.079 0.000 1.191 508 P CA 0.864 63.981 63.100 0.028 0.000 0.771 508 P CB 0.225 31.946 31.700 0.034 0.000 0.929 509 D N -0.541 119.901 120.400 0.070 0.000 2.395 509 D HA 0.103 4.743 4.640 0.000 0.000 0.226 509 D C -0.019 176.225 176.300 -0.093 0.000 1.146 509 D CA -0.647 53.438 54.000 0.142 0.000 0.830 509 D CB -0.245 40.659 40.800 0.174 0.000 0.958 509 D HN -0.038 nan 8.370 nan 0.000 0.501 510 V N 0.604 120.395 119.914 -0.204 0.000 2.686 510 V HA 0.375 4.495 4.120 0.000 0.000 0.306 510 V C -0.234 175.687 176.094 -0.289 0.000 1.065 510 V CA -1.222 60.881 62.300 -0.328 0.000 0.894 510 V CB 2.293 34.030 31.823 -0.142 0.000 1.004 510 V HN 0.165 nan 8.190 nan 0.000 0.424 511 V N 1.316 121.037 119.914 -0.322 0.000 2.435 511 V HA 0.873 4.993 4.120 0.000 0.000 0.290 511 V C -0.165 175.890 176.094 -0.064 0.000 1.030 511 V CA -0.154 62.078 62.300 -0.114 0.000 0.881 511 V CB 1.470 33.342 31.823 0.082 0.000 0.983 511 V HN 0.846 nan 8.190 nan 0.000 0.445 512 T N 4.923 119.380 114.554 -0.162 0.000 2.841 512 T HA 0.727 5.077 4.350 0.000 0.000 0.283 512 T C -1.253 173.300 174.700 -0.245 0.000 1.000 512 T CA -0.170 61.869 62.100 -0.102 0.000 0.977 512 T CB 1.249 70.061 68.868 -0.094 0.000 0.979 512 T HN 0.660 nan 8.240 nan 0.000 0.446 513 Y N 1.399 121.730 120.300 0.052 0.000 2.462 513 Y HA 0.589 5.139 4.550 0.000 0.000 0.346 513 Y C 0.351 176.244 175.900 -0.012 0.000 0.976 513 Y CA -1.090 57.030 58.100 0.033 0.000 1.044 513 Y CB 1.872 40.322 38.460 -0.017 0.000 1.230 513 Y HN 0.729 nan 8.280 nan 0.000 0.455 514 E N -0.588 119.681 120.200 0.116 0.000 2.390 514 E HA 0.515 4.865 4.350 0.000 0.000 0.277 514 E C -1.159 175.445 176.600 0.007 0.000 0.939 514 E CA -1.181 55.243 56.400 0.039 0.000 0.769 514 E CB 1.874 31.589 29.700 0.025 0.000 1.251 514 E HN 0.541 nan 8.360 nan 0.000 0.450 515 T N -0.260 114.274 114.554 -0.033 0.000 2.732 515 T HA 0.211 4.561 4.350 0.000 0.000 0.287 515 T C 0.429 175.128 174.700 -0.002 0.000 0.993 515 T CA -0.754 61.322 62.100 -0.041 0.000 0.966 515 T CB 0.719 69.544 68.868 -0.073 0.000 1.047 515 T HN 0.454 nan 8.240 nan 0.000 0.527 516 E N 0.153 120.358 120.200 0.009 0.000 2.391 516 E HA 0.221 4.571 4.350 0.000 0.000 0.255 516 E C 0.228 176.851 176.600 0.038 0.000 1.187 516 E CA -0.482 55.932 56.400 0.023 0.000 0.941 516 E CB 1.048 30.765 29.700 0.028 0.000 1.010 516 E HN 0.627 nan 8.360 nan 0.000 0.458 517 V N 1.965 121.905 119.914 0.044 0.000 2.599 517 V HA 0.008 4.128 4.120 0.000 0.000 0.300 517 V C 0.090 176.229 176.094 0.075 0.000 1.034 517 V CA -0.132 62.206 62.300 0.063 0.000 1.115 517 V CB -0.249 31.606 31.823 0.055 0.000 0.934 517 V HN 0.401 nan 8.190 nan 0.000 0.485 518 L N 6.220 127.506 121.223 0.104 0.000 2.410 518 L HA 0.285 4.625 4.340 0.000 0.000 0.273 518 L C 0.972 177.898 176.870 0.094 0.000 1.144 518 L CA -0.138 54.767 54.840 0.107 0.000 0.863 518 L CB 0.383 42.525 42.059 0.140 0.000 1.140 518 L HN 0.698 nan 8.230 nan 0.000 0.463 519 D N 0.921 121.367 120.400 0.076 0.000 2.327 519 D HA 0.043 4.683 4.640 0.000 0.000 0.205 519 D C 0.322 176.654 176.300 0.055 0.000 0.989 519 D CA 0.921 54.957 54.000 0.060 0.000 0.873 519 D CB 0.610 41.439 40.800 0.049 0.000 0.955 519 D HN 0.449 nan 8.370 nan 0.000 0.515 520 E N 0.619 120.855 120.200 0.060 0.000 2.314 520 E HA 0.319 4.669 4.350 0.000 0.000 0.272 520 E C -2.486 174.151 176.600 0.062 0.000 0.884 520 E CA -1.904 54.525 56.400 0.048 0.000 0.753 520 E CB 2.699 32.419 29.700 0.033 0.000 1.213 520 E HN -0.070 nan 8.360 nan 0.000 0.432 521 P HA 0.124 nan 4.420 nan 0.000 0.272 521 P C -0.338 177.009 177.300 0.078 0.000 1.230 521 P CA -0.429 62.705 63.100 0.057 0.000 0.788 521 P CB 0.710 32.414 31.700 0.007 0.000 0.949 522 V N 0.496 120.498 119.914 0.147 0.000 2.483 522 V HA 0.550 4.670 4.120 0.000 0.000 0.297 522 V C -0.392 175.818 176.094 0.194 0.000 1.027 522 V CA -0.929 61.468 62.300 0.163 0.000 0.855 522 V CB 1.530 33.487 31.823 0.224 0.000 0.995 522 V HN 0.360 nan 8.190 nan 0.000 0.424 523 R N 4.050 124.609 120.500 0.098 0.000 2.368 523 R HA 0.792 5.132 4.340 0.000 0.000 0.302 523 R C -0.628 175.733 176.300 0.102 0.000 1.002 523 R CA -0.542 55.597 56.100 0.066 0.000 0.929 523 R CB 1.988 32.302 30.300 0.024 0.000 1.073 523 R HN 0.937 nan 8.270 nan 0.000 0.464 524 V N -1.223 118.758 119.914 0.111 0.000 2.656 524 V HA 0.720 4.840 4.120 0.000 0.000 0.307 524 V C -0.502 175.642 176.094 0.083 0.000 1.051 524 V CA -0.647 61.724 62.300 0.119 0.000 0.893 524 V CB 2.033 33.986 31.823 0.217 0.000 0.999 524 V HN 0.699 nan 8.190 nan 0.000 0.426 525 S N 2.510 118.243 115.700 0.055 0.000 2.609 525 S HA 0.855 5.325 4.470 0.000 0.000 0.250 525 S C -0.163 174.432 174.600 -0.008 0.000 1.112 525 S CA 0.613 58.877 58.200 0.107 0.000 1.102 525 S CB 0.435 63.700 63.200 0.108 0.000 1.124 525 S HN 2.433 nan 8.310 nan 0.000 0.460 526 G N 1.455 110.281 108.800 0.043 0.000 2.350 526 G HA2 0.313 4.273 3.960 0.000 0.000 0.276 526 G HA3 0.313 4.273 3.960 0.000 0.000 0.276 526 G C -1.125 173.713 174.900 -0.105 0.000 1.313 526 G CA 0.014 44.956 45.100 -0.264 0.000 0.903 526 G HN 1.688 nan 8.290 nan 0.000 0.490 527 V N 0.098 119.907 119.914 -0.175 0.000 2.370 527 V HA 0.815 4.935 4.120 0.000 0.000 0.283 527 V C -2.468 173.579 176.094 -0.078 0.000 1.023 527 V CA -1.809 60.437 62.300 -0.091 0.000 0.857 527 V CB 1.389 33.149 31.823 -0.106 0.000 0.985 527 V HN 0.627 nan 8.190 nan 0.000 0.443 528 P HA 0.512 nan 4.420 nan 0.000 0.279 528 P C -1.032 176.204 177.300 -0.106 0.000 1.252 528 P CA -0.378 62.684 63.100 -0.063 0.000 0.811 528 P CB 1.435 33.117 31.700 -0.030 0.000 1.035 529 V N 0.927 120.734 119.914 -0.179 0.000 2.531 529 V HA 0.599 4.719 4.120 0.000 0.000 0.301 529 V C 0.032 175.865 176.094 -0.436 0.000 1.034 529 V CA -1.043 61.066 62.300 -0.318 0.000 0.865 529 V CB 1.564 33.179 31.823 -0.347 0.000 0.995 529 V HN 0.677 nan 8.190 nan 0.000 0.424 530 A N 2.617 125.031 122.820 -0.677 0.000 2.362 530 A HA 0.570 4.890 4.320 0.000 0.000 0.276 530 A C -0.254 176.913 177.584 -0.696 0.000 1.153 530 A CA -0.052 51.540 52.037 -0.742 0.000 0.813 530 A CB 0.095 18.368 19.000 -1.213 0.000 1.081 530 A HN 0.870 nan 8.150 nan 0.000 0.507 531 D N 2.410 122.586 120.400 -0.375 0.000 2.458 531 D HA 0.429 5.069 4.640 0.000 0.000 0.258 531 D C -1.068 175.153 176.300 -0.131 0.000 1.134 531 D CA -0.095 53.811 54.000 -0.156 0.000 0.915 531 D CB 0.468 41.304 40.800 0.061 0.000 1.028 531 D HN 0.347 nan 8.370 nan 0.000 0.508 532 L N 3.633 124.720 121.223 -0.227 0.000 2.295 532 L HA 0.611 4.951 4.340 0.000 0.000 0.285 532 L C -1.544 175.192 176.870 -0.224 0.000 1.035 532 L CA -0.341 54.400 54.840 -0.165 0.000 0.806 532 L CB 0.664 42.607 42.059 -0.194 0.000 1.214 532 L HN 0.155 nan 8.230 nan 0.000 0.426 533 F N 5.142 125.111 119.950 0.031 0.000 2.434 533 F HA 0.768 5.295 4.527 0.000 0.000 0.355 533 F C 0.182 175.961 175.800 -0.035 0.000 1.115 533 F CA -0.275 57.744 58.000 0.032 0.000 1.010 533 F CB 1.580 40.584 39.000 0.006 0.000 1.234 533 F HN 0.646 nan 8.300 nan 0.000 0.439 534 A N 2.165 125.001 122.820 0.026 0.000 2.515 534 A HA 0.955 5.275 4.320 0.000 0.000 0.298 534 A C -1.526 176.068 177.584 0.018 0.000 1.059 534 A CA -0.649 51.291 52.037 -0.163 0.000 0.698 534 A CB 1.384 19.827 19.000 -0.927 0.000 1.289 534 A HN 0.837 nan 8.150 nan 0.000 0.404 535 A N 0.407 123.300 122.820 0.122 0.000 2.374 535 A HA 0.924 5.244 4.320 0.000 0.000 0.317 535 A C -0.271 177.501 177.584 0.313 0.000 1.094 535 A CA -0.243 51.922 52.037 0.213 0.000 0.765 535 A CB 1.675 20.759 19.000 0.141 0.000 1.268 535 A HN 1.533 nan 8.150 nan 0.000 0.438 536 T N -0.477 114.258 114.554 0.301 0.000 2.900 536 T HA 0.458 4.808 4.350 0.000 0.000 0.295 536 T C 1.040 175.815 174.700 0.126 0.000 1.044 536 T CA 0.255 62.488 62.100 0.221 0.000 0.995 536 T CB 1.241 70.242 68.868 0.222 0.000 1.072 536 T HN 1.292 nan 8.240 nan 0.000 0.473 537 S N 2.196 117.939 115.700 0.072 0.000 2.562 537 S HA 0.272 4.742 4.470 0.000 0.000 0.221 537 S C 1.147 175.776 174.600 0.049 0.000 0.975 537 S CA 0.139 58.371 58.200 0.054 0.000 0.918 537 S CB -0.194 63.027 63.200 0.036 0.000 0.772 537 S HN 0.877 nan 8.310 nan 0.000 0.531 538 G N 1.096 109.925 108.800 0.050 0.000 2.531 538 G HA2 0.441 4.401 3.960 0.000 0.000 0.281 538 G HA3 0.441 4.401 3.960 0.000 0.000 0.281 538 G C 0.460 175.398 174.900 0.065 0.000 1.382 538 G CA 0.104 45.230 45.100 0.044 0.000 1.045 538 G HN 0.392 nan 8.290 nan 0.000 0.533 539 T N -2.969 111.627 114.554 0.070 0.000 3.132 539 T HA 0.344 4.694 4.350 0.000 0.000 0.274 539 T C -0.240 174.540 174.700 0.134 0.000 1.011 539 T CA -0.056 62.098 62.100 0.090 0.000 0.899 539 T CB 0.375 69.298 68.868 0.092 0.000 1.089 539 T HN 0.405 nan 8.240 nan 0.000 0.543 540 D N -0.430 120.035 120.400 0.109 0.000 2.671 540 D HA 0.661 5.301 4.640 0.000 0.000 0.273 540 D C -1.577 174.728 176.300 0.008 0.000 1.264 540 D CA -0.201 53.864 54.000 0.108 0.000 0.788 540 D CB 2.098 42.965 40.800 0.111 0.000 1.324 540 D HN 0.043 nan 8.370 nan 0.000 0.424 541 S N 0.171 115.833 115.700 -0.063 0.000 2.614 541 S HA 0.353 4.823 4.470 0.000 0.000 0.280 541 S C -2.080 172.250 174.600 -0.450 0.000 1.111 541 S CA -0.796 57.206 58.200 -0.331 0.000 0.847 541 S CB 1.329 64.156 63.200 -0.621 0.000 1.079 541 S HN 0.386 nan 8.310 nan 0.000 0.452 542 D N 0.435 120.510 120.400 -0.540 0.000 2.228 542 D HA 0.606 5.246 4.640 0.000 0.000 0.247 542 D C -1.244 174.632 176.300 -0.708 0.000 0.995 542 D CA -0.035 53.718 54.000 -0.411 0.000 0.903 542 D CB 0.894 41.588 40.800 -0.177 0.000 1.205 542 D HN 0.438 nan 8.370 nan 0.000 0.459 543 W N 1.032 122.300 121.300 -0.054 0.000 2.587 543 W HA 0.464 5.124 4.660 0.000 0.000 0.324 543 W C -0.932 175.550 176.519 -0.062 0.000 1.008 543 W CA -0.887 56.420 57.345 -0.063 0.000 1.265 543 W CB 1.217 30.578 29.460 -0.165 0.000 1.328 543 W HN -0.074 nan 8.180 nan 0.000 0.432 544 V N 4.515 124.473 119.914 0.073 0.000 2.394 544 V HA 0.530 4.650 4.120 0.000 0.000 0.282 544 V C -0.242 175.833 176.094 -0.033 0.000 1.031 544 V CA -0.926 61.274 62.300 -0.168 0.000 0.881 544 V CB 1.348 32.807 31.823 -0.606 0.000 0.982 544 V HN 0.285 nan 8.190 nan 0.000 0.451 545 V N 5.619 125.559 119.914 0.043 0.000 2.487 545 V HA 0.517 4.637 4.120 0.000 0.000 0.298 545 V C -0.314 175.814 176.094 0.057 0.000 1.028 545 V CA -0.939 61.410 62.300 0.080 0.000 0.860 545 V CB 1.902 33.807 31.823 0.136 0.000 0.991 545 V HN 0.869 nan 8.190 nan 0.000 0.427 546 K N 4.482 124.910 120.400 0.047 0.000 2.376 546 K HA 0.629 4.949 4.320 0.000 0.000 0.257 546 K C -1.272 175.382 176.600 0.091 0.000 0.939 546 K CA -0.831 55.513 56.287 0.095 0.000 0.809 546 K CB 2.607 35.171 32.500 0.107 0.000 1.121 546 K HN 0.446 nan 8.250 nan 0.000 0.425 547 L N 4.870 126.158 121.223 0.109 0.000 2.264 547 L HA 0.479 4.819 4.340 0.000 0.000 0.289 547 L C -1.118 175.850 176.870 0.164 0.000 1.044 547 L CA -0.138 54.768 54.840 0.110 0.000 0.807 547 L CB 0.417 42.541 42.059 0.108 0.000 1.192 547 L HN 0.583 nan 8.230 nan 0.000 0.425 548 I N 3.813 124.487 120.570 0.173 0.000 2.646 548 I HA 0.339 4.509 4.170 0.000 0.000 0.299 548 I C -1.014 175.311 176.117 0.346 0.000 1.036 548 I CA -0.745 60.686 61.300 0.218 0.000 1.074 548 I CB 2.132 40.223 38.000 0.151 0.000 1.258 548 I HN 0.496 nan 8.210 nan 0.000 0.430 549 D N 5.267 125.907 120.400 0.399 0.000 2.427 549 D HA 0.295 4.935 4.640 0.000 0.000 0.226 549 D C -0.888 175.650 176.300 0.396 0.000 1.076 549 D CA -0.283 54.053 54.000 0.560 0.000 0.849 549 D CB 1.429 42.508 40.800 0.465 0.000 1.052 549 D HN 0.061 nan 8.370 nan 0.000 0.515 550 V N 5.152 125.265 119.914 0.331 0.000 2.432 550 V HA 0.133 4.253 4.120 0.000 0.000 0.271 550 V C 0.771 176.950 176.094 0.143 0.000 1.046 550 V CA -0.709 61.712 62.300 0.202 0.000 0.945 550 V CB 0.946 32.843 31.823 0.124 0.000 0.992 550 V HN 0.493 nan 8.190 nan 0.000 0.471 551 Q N 5.407 125.244 119.800 0.062 0.000 2.492 551 Q HA 0.239 4.579 4.340 0.000 0.000 0.238 551 Q C -2.246 173.592 176.000 -0.270 0.000 1.045 551 Q CA -1.943 53.733 55.803 -0.211 0.000 0.934 551 Q CB -0.138 28.576 28.738 -0.041 0.000 1.276 551 Q HN 0.438 nan 8.270 nan 0.000 0.521 552 P HA -0.053 nan 4.420 nan 0.000 0.265 552 P C 0.035 177.285 177.300 -0.083 0.000 1.187 552 P CA 0.477 63.462 63.100 -0.192 0.000 0.766 552 P CB 0.423 32.033 31.700 -0.149 0.000 0.820 553 A N 3.908 126.704 122.820 -0.041 0.000 1.971 553 A HA -0.177 4.143 4.320 0.000 0.000 0.222 553 A C 0.961 178.536 177.584 -0.014 0.000 1.182 553 A CA 1.839 53.865 52.037 -0.018 0.000 0.649 553 A CB -0.663 18.332 19.000 -0.008 0.000 0.818 553 A HN 0.501 nan 8.150 nan 0.000 0.458 554 M N -0.353 119.236 119.600 -0.018 0.000 2.393 554 M HA 0.317 4.797 4.480 0.000 0.000 0.299 554 M C -0.904 175.384 176.300 -0.020 0.000 1.103 554 M CA -0.096 55.196 55.300 -0.014 0.000 0.910 554 M CB 1.784 34.379 32.600 -0.008 0.000 1.659 554 M HN 0.257 nan 8.290 nan 0.000 0.445 555 T N -0.712 113.831 114.554 -0.019 0.000 3.155 555 T HA 0.424 4.774 4.350 0.000 0.000 0.384 555 T C -2.039 172.652 174.700 -0.016 0.000 1.351 555 T CA -1.390 60.697 62.100 -0.021 0.000 1.198 555 T CB 0.632 69.481 68.868 -0.031 0.000 1.106 555 T HN 0.386 nan 8.240 nan 0.000 0.564 556 P HA -0.021 nan 4.420 nan 0.000 0.222 556 P C 0.486 177.780 177.300 -0.011 0.000 1.147 556 P CA 0.842 63.937 63.100 -0.009 0.000 0.790 556 P CB 0.302 31.999 31.700 -0.005 0.000 0.780 557 D N -0.593 119.799 120.400 -0.012 0.000 2.234 557 D HA -0.043 4.597 4.640 0.000 0.000 0.205 557 D C 0.417 176.704 176.300 -0.023 0.000 0.962 557 D CA 1.272 55.263 54.000 -0.015 0.000 0.855 557 D CB -0.195 40.597 40.800 -0.012 0.000 0.951 557 D HN 0.170 nan 8.370 nan 0.000 0.500 558 D N -1.266 119.117 120.400 -0.029 0.000 2.586 558 D HA 0.153 4.793 4.640 0.000 0.000 0.254 558 D C -2.106 174.174 176.300 -0.034 0.000 1.248 558 D CA -1.817 52.160 54.000 -0.039 0.000 0.843 558 D CB 1.336 42.100 40.800 -0.060 0.000 1.332 558 D HN -0.228 nan 8.370 nan 0.000 0.523 559 P HA -0.192 nan 4.420 nan 0.000 0.218 559 P C 1.257 178.555 177.300 -0.004 0.000 1.146 559 P CA 1.325 64.418 63.100 -0.012 0.000 0.820 559 P CB 0.125 31.819 31.700 -0.010 0.000 0.778 560 K N -1.174 119.222 120.400 -0.006 0.000 2.283 560 K HA -0.037 4.283 4.320 0.000 0.000 0.202 560 K C 1.430 178.060 176.600 0.050 0.000 1.048 560 K CA 1.180 57.477 56.287 0.017 0.000 0.948 560 K CB -0.548 31.956 32.500 0.007 0.000 0.742 560 K HN 0.053 nan 8.250 nan 0.000 0.458 561 M N 1.665 121.266 119.600 0.002 0.000 2.618 561 M HA 0.114 4.594 4.480 0.000 0.000 0.240 561 M C 0.693 177.029 176.300 0.060 0.000 1.123 561 M CA 0.169 55.469 55.300 -0.000 0.000 1.060 561 M CB -0.442 32.082 32.600 -0.128 0.000 1.535 561 M HN 0.210 nan 8.290 nan 0.000 0.507 562 G N 0.402 109.225 108.800 0.039 0.000 2.254 562 G HA2 0.308 4.268 3.960 0.000 0.000 0.253 562 G HA3 0.308 4.268 3.960 0.000 0.000 0.253 562 G C 1.118 176.046 174.900 0.047 0.000 1.246 562 G CA 0.380 45.494 45.100 0.024 0.000 0.946 562 G HN 0.704 nan 8.290 nan 0.000 0.474 563 G N 1.637 110.456 108.800 0.033 0.000 2.166 563 G HA2 -0.327 3.633 3.960 0.000 0.000 0.260 563 G HA3 -0.327 3.633 3.960 0.000 0.000 0.260 563 G C 0.452 175.396 174.900 0.074 0.000 0.986 563 G CA 0.689 45.810 45.100 0.036 0.000 0.683 563 G HN 1.126 nan 8.290 nan 0.000 0.527 564 Y N 1.665 121.954 120.300 -0.018 0.000 2.729 564 Y HA 0.337 4.887 4.550 0.000 0.000 0.331 564 Y C 0.844 176.756 175.900 0.021 0.000 1.208 564 Y CA 0.453 58.549 58.100 -0.006 0.000 1.521 564 Y CB 0.447 38.898 38.460 -0.015 0.000 1.233 564 Y HN 0.353 nan 8.280 nan 0.000 0.539 565 E N 6.840 126.967 120.200 -0.123 0.000 1.893 565 E HA 0.123 4.473 4.350 0.000 0.000 0.269 565 E C -1.203 175.419 176.600 0.037 0.000 1.129 565 E CA -0.519 55.877 56.400 -0.007 0.000 0.904 565 E CB 0.350 30.023 29.700 -0.045 0.000 1.077 565 E HN 0.411 nan 8.360 nan 0.000 0.407 566 L N 5.610 127.000 121.223 0.277 0.000 2.283 566 L HA 0.300 4.640 4.340 0.000 0.000 0.287 566 L C -2.533 174.470 176.870 0.222 0.000 1.073 566 L CA -2.208 52.819 54.840 0.312 0.000 0.822 566 L CB 0.316 42.575 42.059 0.334 0.000 1.186 566 L HN 0.165 nan 8.230 nan 0.000 0.436 567 P HA 0.053 nan 4.420 nan 0.000 0.271 567 P C 0.635 178.116 177.300 0.301 0.000 1.233 567 P CA -0.134 63.094 63.100 0.212 0.000 0.764 567 P CB 0.931 32.746 31.700 0.191 0.000 0.825 568 V N 0.734 120.767 119.914 0.198 0.000 3.307 568 V HA 0.230 4.350 4.120 0.000 0.000 0.253 568 V C 0.590 176.702 176.094 0.030 0.000 1.149 568 V CA 0.675 63.026 62.300 0.087 0.000 1.112 568 V CB -0.066 31.631 31.823 -0.210 0.000 0.777 568 V HN 0.537 nan 8.190 nan 0.000 0.464 569 S N 0.895 116.658 115.700 0.105 0.000 2.563 569 S HA 0.771 5.241 4.470 0.000 0.000 0.279 569 S C -0.984 173.720 174.600 0.174 0.000 1.155 569 S CA -0.671 57.590 58.200 0.101 0.000 0.928 569 S CB 1.292 64.527 63.200 0.058 0.000 1.107 569 S HN 0.619 nan 8.310 nan 0.000 0.462 570 M N 2.676 122.422 119.600 0.244 0.000 2.520 570 M HA 0.768 5.248 4.480 0.000 0.000 0.280 570 M C -1.764 174.817 176.300 0.469 0.000 1.232 570 M CA -0.777 54.720 55.300 0.328 0.000 0.892 570 M CB 2.160 34.993 32.600 0.387 0.000 1.728 570 M HN 0.514 nan 8.290 nan 0.000 0.475 571 D N 0.510 121.182 120.400 0.454 0.000 2.692 571 D HA 0.646 5.286 4.640 0.000 0.000 0.290 571 D C -2.056 174.476 176.300 0.387 0.000 1.281 571 D CA -0.392 53.962 54.000 0.590 0.000 0.804 571 D CB 3.037 44.226 40.800 0.648 0.000 1.331 571 D HN 0.844 nan 8.370 nan 0.000 0.432 572 I N 0.924 121.716 120.570 0.371 0.000 2.646 572 I HA 0.657 4.827 4.170 0.000 0.000 0.299 572 I C -1.540 174.641 176.117 0.106 0.000 1.036 572 I CA -0.869 60.490 61.300 0.098 0.000 1.074 572 I CB 1.609 39.535 38.000 -0.123 0.000 1.258 572 I HN 0.284 nan 8.210 nan 0.000 0.430 573 F N 6.651 126.463 119.950 -0.229 0.000 2.539 573 F HA 0.518 5.045 4.527 0.000 0.000 0.318 573 F C -0.500 175.254 175.800 -0.076 0.000 1.135 573 F CA -0.746 57.059 58.000 -0.326 0.000 0.915 573 F CB 1.223 39.602 39.000 -1.035 0.000 1.176 573 F HN 0.408 nan 8.300 nan 0.000 0.440 574 R N 4.025 124.333 120.500 -0.320 0.000 2.210 574 R HA 0.321 4.661 4.340 0.000 0.000 0.338 574 R C 1.255 177.575 176.300 0.033 0.000 1.062 574 R CA 0.539 56.595 56.100 -0.074 0.000 0.902 574 R CB 0.837 31.165 30.300 0.046 0.000 1.050 574 R HN 0.983 nan 8.270 nan 0.000 0.461 575 G N 5.112 114.065 108.800 0.255 0.000 2.505 575 G HA2 -0.393 3.567 3.960 0.000 0.000 0.220 575 G HA3 -0.393 3.567 3.960 0.000 0.000 0.220 575 G C 1.266 176.395 174.900 0.381 0.000 1.145 575 G CA 1.067 46.495 45.100 0.546 0.000 0.761 575 G HN 0.811 nan 8.290 nan 0.000 0.571 576 R N -0.508 120.042 120.500 0.083 0.000 2.170 576 R HA -0.122 4.218 4.340 0.000 0.000 0.242 576 R C 1.463 177.715 176.300 -0.081 0.000 1.145 576 R CA 1.527 57.606 56.100 -0.036 0.000 0.984 576 R CB -0.745 29.482 30.300 -0.122 0.000 0.869 576 R HN 0.508 nan 8.270 nan 0.000 0.455 577 Y N 0.611 121.050 120.300 0.232 0.000 2.495 577 Y HA 0.246 4.796 4.550 0.000 0.000 0.293 577 Y C 2.323 178.343 175.900 0.199 0.000 1.186 577 Y CA -0.511 57.708 58.100 0.198 0.000 1.266 577 Y CB 0.003 38.634 38.460 0.285 0.000 1.101 577 Y HN 0.020 nan 8.280 nan 0.000 0.517 578 R N 1.217 121.973 120.500 0.427 0.000 2.103 578 R HA -0.207 4.133 4.340 0.000 0.000 0.242 578 R C 1.518 177.827 176.300 0.016 0.000 1.142 578 R CA 1.884 58.170 56.100 0.311 0.000 0.960 578 R CB 0.114 30.444 30.300 0.050 0.000 0.858 578 R HN 0.317 nan 8.270 nan 0.000 0.439 579 K N -1.390 119.001 120.400 -0.014 0.000 2.168 579 K HA 0.021 4.341 4.320 0.000 0.000 0.201 579 K C -0.072 176.472 176.600 -0.094 0.000 1.049 579 K CA 0.585 56.831 56.287 -0.069 0.000 0.974 579 K CB 0.352 32.825 32.500 -0.046 0.000 0.792 579 K HN 0.028 nan 8.250 nan 0.000 0.463 580 D N -1.332 119.036 120.400 -0.053 0.000 2.970 580 D HA 0.125 4.765 4.640 0.000 0.000 0.230 580 D C -0.129 176.212 176.300 0.068 0.000 1.276 580 D CA -0.541 53.430 54.000 -0.050 0.000 0.910 580 D CB 0.961 41.784 40.800 0.038 0.000 1.590 580 D HN -0.210 nan 8.370 nan 0.000 0.551 581 F N 1.875 121.934 119.950 0.181 0.000 2.293 581 F HA 0.083 4.610 4.527 0.000 0.000 0.300 581 F C 2.358 178.125 175.800 -0.054 0.000 1.086 581 F CA 1.006 59.024 58.000 0.030 0.000 1.375 581 F CB -0.386 38.505 39.000 -0.182 0.000 1.045 581 F HN 0.488 nan 8.300 nan 0.000 0.516 582 A N -1.307 121.634 122.820 0.202 0.000 2.132 582 A HA 0.074 4.394 4.320 0.000 0.000 0.213 582 A C 0.948 178.629 177.584 0.161 0.000 1.154 582 A CA 0.503 52.607 52.037 0.113 0.000 0.753 582 A CB -0.015 19.028 19.000 0.072 0.000 0.826 582 A HN -0.057 nan 8.150 nan 0.000 0.469 583 K N 1.404 121.925 120.400 0.202 0.000 2.579 583 K HA 0.319 4.639 4.320 0.000 0.000 0.225 583 K C -3.182 173.550 176.600 0.222 0.000 0.992 583 K CA -1.950 54.446 56.287 0.182 0.000 1.018 583 K CB 1.662 34.226 32.500 0.107 0.000 1.249 583 K HN 0.182 nan 8.250 nan 0.000 0.489 584 P HA 0.186 nan 4.420 nan 0.000 0.271 584 P C -0.609 176.784 177.300 0.155 0.000 1.218 584 P CA -0.025 63.199 63.100 0.206 0.000 0.780 584 P CB 1.273 33.077 31.700 0.174 0.000 0.901 585 E N 0.039 120.231 120.200 -0.012 0.000 2.366 585 E HA 0.523 4.873 4.350 0.000 0.000 0.278 585 E C -0.756 175.470 176.600 -0.624 0.000 0.923 585 E CA -1.096 55.088 56.400 -0.360 0.000 0.761 585 E CB 2.392 31.976 29.700 -0.193 0.000 1.231 585 E HN 0.493 nan 8.360 nan 0.000 0.443 586 A N 2.754 124.885 122.820 -1.148 0.000 2.520 586 A HA 0.222 4.542 4.320 0.000 0.000 0.235 586 A C -0.146 177.286 177.584 -0.253 0.000 1.065 586 A CA 0.150 51.732 52.037 -0.758 0.000 0.764 586 A CB 0.126 18.761 19.000 -0.607 0.000 1.002 586 A HN 0.516 nan 8.150 nan 0.000 0.502 587 L N 1.028 122.211 121.223 -0.066 0.000 2.357 587 L HA 0.285 4.625 4.340 0.000 0.000 0.273 587 L C 0.684 177.563 176.870 0.016 0.000 1.080 587 L CA -0.415 54.445 54.840 0.033 0.000 0.803 587 L CB 1.139 43.295 42.059 0.162 0.000 1.174 587 L HN 0.886 nan 8.230 nan 0.000 0.443 588 Q N 4.147 123.959 119.800 0.020 0.000 2.281 588 Q HA 0.196 4.536 4.340 0.000 0.000 0.267 588 Q C -2.283 173.747 176.000 0.050 0.000 1.053 588 Q CA -1.330 54.483 55.803 0.017 0.000 0.905 588 Q CB 0.913 29.656 28.738 0.007 0.000 1.195 588 Q HN 0.214 nan 8.270 nan 0.000 0.398 589 P HA -0.066 nan 4.420 nan 0.000 0.266 589 P C -0.787 176.546 177.300 0.055 0.000 1.195 589 P CA 0.320 63.454 63.100 0.057 0.000 0.768 589 P CB 0.505 32.230 31.700 0.041 0.000 0.838 590 D N -1.380 119.062 120.400 0.070 0.000 3.018 590 D HA -0.215 4.425 4.640 0.000 0.000 0.224 590 D C 0.100 176.435 176.300 0.058 0.000 1.185 590 D CA 1.589 55.627 54.000 0.064 0.000 0.858 590 D CB -1.319 39.508 40.800 0.045 0.000 1.112 590 D HN 0.524 nan 8.370 nan 0.000 0.415 591 A N 0.135 122.993 122.820 0.064 0.000 2.305 591 A HA 0.555 4.875 4.320 0.000 0.000 0.322 591 A C 0.488 178.111 177.584 0.065 0.000 1.187 591 A CA -0.261 51.803 52.037 0.045 0.000 0.825 591 A CB 1.019 20.037 19.000 0.029 0.000 1.164 591 A HN -0.021 nan 8.150 nan 0.000 0.498 592 T N 3.529 118.107 114.554 0.041 0.000 2.737 592 T HA 0.454 4.804 4.350 0.000 0.000 0.296 592 T C -0.104 174.636 174.700 0.065 0.000 0.922 592 T CA 0.443 62.579 62.100 0.059 0.000 1.079 592 T CB -0.427 68.435 68.868 -0.011 0.000 0.892 592 T HN 0.415 nan 8.240 nan 0.000 0.514 593 L N 2.654 123.919 121.223 0.071 0.000 2.342 593 L HA 0.437 4.777 4.340 0.000 0.000 0.271 593 L C 0.447 177.213 176.870 -0.174 0.000 1.008 593 L CA -1.073 53.726 54.840 -0.068 0.000 0.818 593 L CB 1.695 43.644 42.059 -0.184 0.000 1.296 593 L HN 0.644 nan 8.230 nan 0.000 0.427 594 H N 2.036 120.851 119.070 -0.425 0.000 2.652 594 H HA 0.315 4.871 4.556 0.000 0.000 0.298 594 H C -1.531 173.388 175.328 -0.681 0.000 1.076 594 H CA -0.449 55.215 56.048 -0.641 0.000 1.360 594 H CB 0.559 30.027 29.762 -0.491 0.000 1.421 594 H HN 0.411 nan 8.280 nan 0.000 0.464 595 Y N 3.120 123.071 120.300 -0.581 0.000 2.377 595 Y HA 0.214 4.764 4.550 0.000 0.000 0.339 595 Y C -0.306 175.263 175.900 -0.552 0.000 1.011 595 Y CA -0.796 56.982 58.100 -0.537 0.000 1.093 595 Y CB 1.561 39.767 38.460 -0.425 0.000 1.201 595 Y HN 0.688 nan 8.280 nan 0.000 0.455 596 H N 4.237 123.055 119.070 -0.420 0.000 3.108 596 H HA 0.523 5.079 4.556 0.000 0.000 0.329 596 H C -1.778 173.476 175.328 -0.122 0.000 0.978 596 H CA -1.052 54.774 56.048 -0.371 0.000 1.413 596 H CB 0.537 30.028 29.762 -0.452 0.000 1.670 596 H HN 0.509 nan 8.280 nan 0.000 0.512 597 F N 1.290 120.984 119.950 -0.427 0.000 2.608 597 F HA 0.498 5.025 4.527 0.000 0.000 0.309 597 F C -0.610 175.147 175.800 -0.071 0.000 1.103 597 F CA -1.153 56.714 58.000 -0.222 0.000 0.954 597 F CB 0.901 39.654 39.000 -0.413 0.000 1.267 597 F HN 0.374 nan 8.300 nan 0.000 0.444 598 T N 1.401 116.126 114.554 0.285 0.000 2.919 598 T HA 0.613 4.963 4.350 0.000 0.000 0.302 598 T C -0.265 174.660 174.700 0.374 0.000 1.031 598 T CA -0.506 61.727 62.100 0.222 0.000 1.127 598 T CB 0.976 69.990 68.868 0.242 0.000 0.952 598 T HN 0.705 nan 8.240 nan 0.000 0.540 599 L N 2.335 123.672 121.223 0.189 0.000 2.331 599 L HA 0.536 4.876 4.340 0.000 0.000 0.268 599 L C -2.196 174.773 176.870 0.166 0.000 1.015 599 L CA -3.138 51.840 54.840 0.231 0.000 0.807 599 L CB 1.307 43.439 42.059 0.121 0.000 1.293 599 L HN 0.420 nan 8.230 nan 0.000 0.451 600 P HA 0.014 nan 4.420 nan 0.000 0.266 600 P C -0.707 176.601 177.300 0.013 0.000 1.195 600 P CA -0.145 63.005 63.100 0.083 0.000 0.768 600 P CB 0.441 32.187 31.700 0.076 0.000 0.838 601 A N 2.766 125.576 122.820 -0.016 0.000 2.507 601 A HA 0.414 4.734 4.320 0.000 0.000 0.235 601 A C 0.229 177.776 177.584 -0.062 0.000 1.070 601 A CA 0.152 52.188 52.037 -0.001 0.000 0.768 601 A CB -0.294 18.741 19.000 0.058 0.000 1.011 601 A HN 0.492 nan 8.150 nan 0.000 0.502 602 V N -0.669 119.238 119.914 -0.010 0.000 2.925 602 V HA 0.836 4.956 4.120 0.000 0.000 0.311 602 V C -0.769 175.334 176.094 0.015 0.000 1.104 602 V CA -0.835 61.429 62.300 -0.061 0.000 0.954 602 V CB 2.168 33.975 31.823 -0.028 0.000 1.022 602 V HN 0.903 nan 8.190 nan 0.000 0.427 603 N N 1.283 119.954 118.700 -0.049 0.000 2.710 603 N HA 0.470 5.210 4.740 0.000 0.000 0.244 603 N C -1.176 174.309 175.510 -0.042 0.000 1.321 603 N CA -0.160 52.886 53.050 -0.007 0.000 0.758 603 N CB 0.629 39.082 38.487 -0.056 0.000 1.284 603 N HN 1.134 nan 8.380 nan 0.000 0.530 604 H N 0.088 119.057 119.070 -0.168 0.000 2.931 604 H HA 0.809 5.365 4.556 0.000 0.000 0.331 604 H C -1.391 173.789 175.328 -0.247 0.000 1.273 604 H CA -0.676 55.212 56.048 -0.267 0.000 1.171 604 H CB 1.699 31.221 29.762 -0.399 0.000 1.898 604 H HN -0.041 nan 8.280 nan 0.000 0.562 605 V N 2.323 121.687 119.914 -0.917 0.000 2.655 605 V HA 0.224 4.344 4.120 0.000 0.000 0.301 605 V C -1.175 174.463 176.094 -0.760 0.000 1.082 605 V CA -0.655 61.316 62.300 -0.548 0.000 0.899 605 V CB 1.302 32.909 31.823 -0.361 0.000 1.014 605 V HN 0.574 nan 8.190 nan 0.000 0.429 606 F N 3.838 123.679 119.950 -0.181 0.000 2.405 606 F HA 0.669 5.196 4.527 0.000 0.000 0.358 606 F C 1.009 176.681 175.800 -0.213 0.000 1.151 606 F CA -0.075 57.851 58.000 -0.122 0.000 1.161 606 F CB 0.922 39.972 39.000 0.083 0.000 1.245 606 F HN 0.611 nan 8.300 nan 0.000 0.545 607 A N 4.177 126.782 122.820 -0.358 0.000 2.280 607 A HA 0.389 4.709 4.320 0.000 0.000 0.268 607 A C 0.316 177.924 177.584 0.040 0.000 1.111 607 A CA -0.827 51.091 52.037 -0.198 0.000 0.814 607 A CB 0.397 19.239 19.000 -0.263 0.000 1.093 607 A HN 0.681 nan 8.150 nan 0.000 0.498 608 K N -0.341 120.113 120.400 0.090 0.000 2.489 608 K HA 0.320 4.640 4.320 0.000 0.000 0.278 608 K C 1.086 177.821 176.600 0.225 0.000 1.000 608 K CA 1.159 57.528 56.287 0.137 0.000 1.012 608 K CB 0.105 32.657 32.500 0.087 0.000 0.903 608 K HN 1.372 nan 8.250 nan 0.000 0.485 609 G N 1.719 110.632 108.800 0.189 0.000 2.217 609 G HA2 -0.231 3.729 3.960 0.000 0.000 0.246 609 G HA3 -0.231 3.729 3.960 0.000 0.000 0.246 609 G C 0.140 175.130 174.900 0.151 0.000 0.990 609 G CA -0.240 44.949 45.100 0.149 0.000 0.627 609 G HN 0.756 nan 8.290 nan 0.000 0.522 610 H N 0.173 119.306 119.070 0.105 0.000 2.490 610 H HA 0.685 5.241 4.556 0.000 0.000 0.354 610 H C 0.529 175.931 175.328 0.124 0.000 1.365 610 H CA -0.158 55.975 56.048 0.141 0.000 1.413 610 H CB 0.833 30.726 29.762 0.219 0.000 1.631 610 H HN 0.241 nan 8.280 nan 0.000 0.607 611 R N 0.249 120.904 120.500 0.258 0.000 2.771 611 R HA 0.433 4.773 4.340 0.000 0.000 0.274 611 R C -0.789 175.573 176.300 0.104 0.000 0.987 611 R CA -0.796 55.384 56.100 0.133 0.000 0.908 611 R CB 2.015 32.361 30.300 0.076 0.000 1.213 611 R HN 0.397 nan 8.270 nan 0.000 0.468 612 I N 2.469 122.987 120.570 -0.087 0.000 2.385 612 I HA 0.390 4.560 4.170 0.000 0.000 0.294 612 I C 0.024 176.080 176.117 -0.102 0.000 0.988 612 I CA -0.373 60.760 61.300 -0.278 0.000 1.265 612 I CB 1.511 39.138 38.000 -0.622 0.000 1.388 612 I HN 0.420 nan 8.210 nan 0.000 0.480 613 M N 6.400 125.987 119.600 -0.022 0.000 2.591 613 M HA 0.689 5.169 4.480 0.000 0.000 0.306 613 M C -1.995 174.327 176.300 0.036 0.000 1.190 613 M CA -0.608 54.707 55.300 0.025 0.000 0.889 613 M CB 2.408 35.044 32.600 0.061 0.000 1.728 613 M HN 0.316 nan 8.290 nan 0.000 0.458 614 V N 3.333 123.289 119.914 0.071 0.000 2.577 614 V HA 0.462 4.582 4.120 0.000 0.000 0.303 614 V C -1.084 175.098 176.094 0.147 0.000 1.042 614 V CA -0.557 61.791 62.300 0.080 0.000 0.872 614 V CB 2.106 33.943 31.823 0.023 0.000 0.998 614 V HN 0.885 nan 8.190 nan 0.000 0.423 615 Q N 4.193 124.053 119.800 0.101 0.000 2.353 615 Q HA 0.736 5.076 4.340 0.000 0.000 0.268 615 Q C -1.393 174.639 176.000 0.054 0.000 1.045 615 Q CA -0.569 55.281 55.803 0.078 0.000 0.811 615 Q CB 3.144 31.903 28.738 0.036 0.000 1.305 615 Q HN 0.638 nan 8.270 nan 0.000 0.447 616 I N 2.402 122.999 120.570 0.045 0.000 2.582 616 I HA 0.351 4.521 4.170 0.000 0.000 0.292 616 I C -0.438 175.607 176.117 -0.120 0.000 1.066 616 I CA -0.528 60.799 61.300 0.045 0.000 1.053 616 I CB 1.938 40.047 38.000 0.181 0.000 1.241 616 I HN 0.633 nan 8.210 nan 0.000 0.421 617 Q N 2.817 122.576 119.800 -0.069 0.000 2.693 617 Q HA 0.571 4.911 4.340 0.000 0.000 0.306 617 Q C -1.201 174.846 176.000 0.078 0.000 0.969 617 Q CA -0.890 54.843 55.803 -0.116 0.000 0.757 617 Q CB 2.003 30.658 28.738 -0.139 0.000 1.494 617 Q HN 0.396 nan 8.270 nan 0.000 0.459 618 S N -0.036 115.725 115.700 0.100 0.000 2.819 618 S HA 0.294 4.764 4.470 0.000 0.000 0.249 618 S C -0.822 173.771 174.600 -0.011 0.000 1.030 618 S CA 0.283 58.465 58.200 -0.028 0.000 1.052 618 S CB 0.561 63.686 63.200 -0.125 0.000 1.017 618 S HN 0.619 nan 8.310 nan 0.000 0.576 619 S N -0.089 115.653 115.700 0.069 0.000 2.550 619 S HA 0.748 5.218 4.470 0.000 0.000 0.270 619 S C -2.107 172.701 174.600 0.347 0.000 1.145 619 S CA -0.671 57.641 58.200 0.186 0.000 0.852 619 S CB 1.607 64.908 63.200 0.168 0.000 1.119 619 S HN 0.229 nan 8.310 nan 0.000 0.465 620 W N 2.353 123.807 121.300 0.256 0.000 2.055 620 W HA 0.527 5.187 4.660 0.000 0.000 0.291 620 W C -2.201 174.501 176.519 0.305 0.000 1.037 620 W CA -1.630 55.895 57.345 0.301 0.000 1.061 620 W CB 0.908 30.545 29.460 0.296 0.000 0.994 620 W HN 0.692 nan 8.180 nan 0.000 0.273 621 F N 5.723 125.867 119.950 0.323 0.000 2.492 621 F HA 0.658 5.185 4.527 0.000 0.000 0.327 621 F C -1.299 174.655 175.800 0.257 0.000 1.079 621 F CA -2.607 55.481 58.000 0.146 0.000 0.967 621 F CB 2.023 41.070 39.000 0.078 0.000 1.169 621 F HN -0.064 nan 8.300 nan 0.000 0.472 622 P HA 0.005 nan 4.420 nan 0.000 0.262 622 P C 1.376 178.113 177.300 -0.939 0.000 1.304 622 P CA 0.311 62.565 63.100 -1.410 0.000 0.859 622 P CB 0.258 31.196 31.700 -1.270 0.000 1.310 623 L N -0.127 120.530 121.223 -0.943 0.000 2.013 623 L HA -0.054 4.286 4.340 0.000 0.000 0.212 623 L C 0.341 176.601 176.870 -1.017 0.000 1.073 623 L CA 1.773 55.917 54.840 -1.159 0.000 0.753 623 L CB -1.239 39.604 42.059 -2.026 0.000 0.890 623 L HN -0.123 nan 8.230 nan 0.000 0.432 624 Y N 0.668 120.707 120.300 -0.435 0.000 2.360 624 Y HA 0.320 4.870 4.550 0.000 0.000 0.337 624 Y C 0.104 175.998 175.900 -0.010 0.000 1.039 624 Y CA -1.913 56.073 58.100 -0.190 0.000 1.109 624 Y CB 0.488 38.955 38.460 0.012 0.000 1.201 624 Y HN 0.218 nan 8.280 nan 0.000 0.458 625 D N 2.146 122.679 120.400 0.221 0.000 2.400 625 D HA 0.049 4.689 4.640 0.000 0.000 0.238 625 D C -0.348 176.185 176.300 0.389 0.000 1.157 625 D CA -0.375 53.839 54.000 0.356 0.000 0.889 625 D CB 0.676 41.741 40.800 0.441 0.000 1.199 625 D HN 0.465 nan 8.370 nan 0.000 0.436 626 R N 1.066 121.822 120.500 0.426 0.000 2.491 626 R HA 0.123 4.463 4.340 0.000 0.000 0.283 626 R C 0.562 177.016 176.300 0.256 0.000 1.072 626 R CA -0.537 55.742 56.100 0.299 0.000 1.048 626 R CB 0.300 30.711 30.300 0.186 0.000 0.983 626 R HN 0.453 nan 8.270 nan 0.000 0.450 627 N N 3.566 122.351 118.700 0.142 0.000 2.430 627 N HA 0.061 4.801 4.740 0.000 0.000 0.265 627 N C -1.877 173.651 175.510 0.030 0.000 1.100 627 N CA -1.807 51.271 53.050 0.046 0.000 0.961 627 N CB 1.368 39.837 38.487 -0.030 0.000 1.075 627 N HN 0.271 nan 8.380 nan 0.000 0.478 628 P HA -0.069 nan 4.420 nan 0.000 0.225 628 P C -0.335 176.900 177.300 -0.108 0.000 1.148 628 P CA 0.939 63.875 63.100 -0.274 0.000 0.779 628 P CB 0.222 31.562 31.700 -0.601 0.000 0.780 629 Q N -2.948 116.808 119.800 -0.073 0.000 2.465 629 Q HA -0.203 4.137 4.340 0.000 0.000 0.248 629 Q C 0.097 176.087 176.000 -0.018 0.000 0.819 629 Q CA 0.847 56.625 55.803 -0.042 0.000 1.219 629 Q CB -1.786 26.932 28.738 -0.033 0.000 1.472 629 Q HN 0.314 nan 8.270 nan 0.000 0.630 630 K N 0.278 120.656 120.400 -0.036 0.000 2.535 630 K HA 0.417 4.737 4.320 0.000 0.000 0.250 630 K C -1.257 175.354 176.600 0.018 0.000 0.948 630 K CA -0.781 55.506 56.287 0.000 0.000 0.796 630 K CB 0.969 33.444 32.500 -0.040 0.000 1.216 630 K HN -0.000 nan 8.250 nan 0.000 0.432 631 F N 5.607 125.525 119.950 -0.054 0.000 2.541 631 F HA 0.205 4.732 4.527 0.000 0.000 0.378 631 F C -0.376 175.391 175.800 -0.056 0.000 1.068 631 F CA 0.171 58.137 58.000 -0.056 0.000 1.199 631 F CB 0.524 39.502 39.000 -0.037 0.000 1.091 631 F HN 0.220 nan 8.300 nan 0.000 0.555 632 V N 4.929 124.486 119.914 -0.596 0.000 2.823 632 V HA 0.517 4.637 4.120 0.000 0.000 0.312 632 V C -2.200 173.505 176.094 -0.648 0.000 1.072 632 V CA -1.923 60.114 62.300 -0.439 0.000 0.937 632 V CB 1.501 33.164 31.823 -0.267 0.000 1.013 632 V HN 0.524 nan 8.190 nan 0.000 0.430 633 P HA -0.087 nan 4.420 nan 0.000 0.216 633 P C 0.167 177.314 177.300 -0.255 0.000 1.153 633 P CA 1.527 64.447 63.100 -0.299 0.000 0.858 633 P CB 0.106 31.729 31.700 -0.128 0.000 0.789 634 N N -1.359 117.224 118.700 -0.194 0.000 2.480 634 N HA 0.184 4.924 4.740 0.000 0.000 0.289 634 N C 0.546 175.988 175.510 -0.113 0.000 1.073 634 N CA -0.406 52.563 53.050 -0.135 0.000 0.885 634 N CB 0.792 39.222 38.487 -0.096 0.000 1.421 634 N HN -0.215 nan 8.380 nan 0.000 0.503 635 I N 2.274 122.747 120.570 -0.163 0.000 2.454 635 I HA -0.197 3.973 4.170 0.000 0.000 0.254 635 I C 1.389 177.515 176.117 0.015 0.000 1.156 635 I CA 1.034 62.261 61.300 -0.122 0.000 1.433 635 I CB -0.148 37.764 38.000 -0.147 0.000 1.082 635 I HN 0.493 nan 8.210 nan 0.000 0.432 636 F N 0.911 120.922 119.950 0.102 0.000 2.202 636 F HA -0.253 4.274 4.527 0.000 0.000 0.301 636 F C 1.568 177.512 175.800 0.239 0.000 1.082 636 F CA 0.893 59.014 58.000 0.201 0.000 1.313 636 F CB -0.159 38.947 39.000 0.177 0.000 1.024 636 F HN 0.131 nan 8.300 nan 0.000 0.495 637 D N 0.337 120.932 120.400 0.325 0.000 2.388 637 D HA 0.198 4.838 4.640 0.000 0.000 0.221 637 D C 0.601 176.993 176.300 0.153 0.000 1.133 637 D CA 0.132 54.282 54.000 0.250 0.000 0.831 637 D CB -0.228 40.691 40.800 0.199 0.000 0.962 637 D HN 0.039 nan 8.370 nan 0.000 0.502 638 A N 0.839 123.738 122.820 0.133 0.000 2.483 638 A HA 0.171 4.491 4.320 0.000 0.000 0.238 638 A C 0.664 178.341 177.584 0.156 0.000 1.070 638 A CA 0.214 52.271 52.037 0.035 0.000 0.770 638 A CB 0.589 19.503 19.000 -0.144 0.000 1.008 638 A HN -0.012 nan 8.150 nan 0.000 0.497 639 K N 2.111 122.574 120.400 0.106 0.000 2.139 639 K HA 0.389 4.709 4.320 0.000 0.000 0.243 639 K C -1.978 174.785 176.600 0.272 0.000 0.983 639 K CA -1.838 54.549 56.287 0.166 0.000 0.890 639 K CB 0.944 33.498 32.500 0.091 0.000 1.090 639 K HN 0.290 nan 8.250 nan 0.000 0.445 640 P HA -0.219 nan 4.420 nan 0.000 0.216 640 P C 0.703 178.149 177.300 0.242 0.000 1.150 640 P CA 1.313 64.561 63.100 0.246 0.000 0.843 640 P CB 0.121 31.890 31.700 0.116 0.000 0.787 641 A N -0.563 122.344 122.820 0.145 0.000 2.119 641 A HA -0.139 4.181 4.320 0.000 0.000 0.217 641 A C 1.758 179.386 177.584 0.072 0.000 1.153 641 A CA 1.405 53.500 52.037 0.098 0.000 0.692 641 A CB -1.030 18.006 19.000 0.061 0.000 0.799 641 A HN 0.077 nan 8.150 nan 0.000 0.458 642 D N -1.299 119.121 120.400 0.033 0.000 2.317 642 D HA -0.005 4.635 4.640 0.000 0.000 0.211 642 D C -0.402 175.790 176.300 -0.181 0.000 0.966 642 D CA 0.546 54.483 54.000 -0.105 0.000 0.876 642 D CB -0.175 40.482 40.800 -0.237 0.000 0.927 642 D HN 0.548 nan 8.370 nan 0.000 0.519 643 Y N 1.036 121.343 120.300 0.012 0.000 2.480 643 Y HA 0.188 4.738 4.550 0.000 0.000 0.341 643 Y C 0.767 176.669 175.900 0.003 0.000 1.031 643 Y CA 0.059 58.160 58.100 0.002 0.000 1.295 643 Y CB 0.689 39.144 38.460 -0.008 0.000 1.162 643 Y HN -0.346 nan 8.280 nan 0.000 0.523 644 T N 3.091 117.700 114.554 0.092 0.000 2.863 644 T HA 0.462 4.812 4.350 0.000 0.000 0.285 644 T C -0.313 174.423 174.700 0.060 0.000 1.009 644 T CA -0.850 61.288 62.100 0.063 0.000 0.989 644 T CB 1.455 70.340 68.868 0.029 0.000 1.004 644 T HN 0.217 nan 8.240 nan 0.000 0.455 645 V N 1.984 121.932 119.914 0.057 0.000 2.775 645 V HA 0.673 4.793 4.120 0.000 0.000 0.299 645 V C 0.440 176.552 176.094 0.031 0.000 1.062 645 V CA -0.255 62.076 62.300 0.051 0.000 1.063 645 V CB 0.853 32.711 31.823 0.057 0.000 0.994 645 V HN 1.167 nan 8.190 nan 0.000 0.483 646 A N 2.970 125.799 122.820 0.015 0.000 2.572 646 A HA 0.745 5.065 4.320 0.000 0.000 0.295 646 A C -0.438 177.128 177.584 -0.030 0.000 1.072 646 A CA -0.592 51.442 52.037 -0.005 0.000 0.691 646 A CB 1.822 20.810 19.000 -0.021 0.000 1.291 646 A HN 0.661 nan 8.150 nan 0.000 0.404 647 T N 2.886 117.424 114.554 -0.027 0.000 2.749 647 T HA 0.502 4.852 4.350 0.000 0.000 0.287 647 T C -0.516 174.137 174.700 -0.079 0.000 0.970 647 T CA -0.320 61.748 62.100 -0.053 0.000 0.980 647 T CB 0.793 69.658 68.868 -0.005 0.000 0.924 647 T HN 0.551 nan 8.240 nan 0.000 0.456 648 Q N 1.804 121.462 119.800 -0.235 0.000 2.245 648 Q HA 0.609 4.949 4.340 0.000 0.000 0.256 648 Q C -0.702 175.241 176.000 -0.096 0.000 0.942 648 Q CA -0.612 55.077 55.803 -0.190 0.000 0.896 648 Q CB 2.064 30.399 28.738 -0.671 0.000 1.272 648 Q HN 0.542 nan 8.270 nan 0.000 0.442 649 S N 1.902 117.665 115.700 0.105 0.000 2.647 649 S HA 0.517 4.987 4.470 0.000 0.000 0.300 649 S C -0.471 174.230 174.600 0.169 0.000 1.129 649 S CA -0.569 57.711 58.200 0.135 0.000 1.029 649 S CB 0.652 63.920 63.200 0.112 0.000 1.007 649 S HN 0.370 nan 8.310 nan 0.000 0.484 650 I N 3.154 123.855 120.570 0.220 0.000 2.304 650 I HA 0.305 4.475 4.170 0.000 0.000 0.291 650 I C 0.286 176.503 176.117 0.167 0.000 1.018 650 I CA -0.289 61.129 61.300 0.196 0.000 1.260 650 I CB 0.472 38.633 38.000 0.268 0.000 1.390 650 I HN 0.628 nan 8.210 nan 0.000 0.475 651 H N 5.380 124.480 119.070 0.050 0.000 2.511 651 H HA 0.535 5.091 4.556 0.000 0.000 0.346 651 H C -0.706 174.604 175.328 -0.030 0.000 1.128 651 H CA -0.149 55.868 56.048 -0.053 0.000 1.342 651 H CB 0.560 30.287 29.762 -0.058 0.000 1.470 651 H HN 0.735 nan 8.280 nan 0.000 0.546 652 H N 1.695 120.600 119.070 -0.275 0.000 2.806 652 H HA 0.604 5.160 4.556 0.000 0.000 0.367 652 H C 0.168 175.370 175.328 -0.211 0.000 1.136 652 H CA -0.696 55.244 56.048 -0.180 0.000 1.178 652 H CB 1.221 30.875 29.762 -0.181 0.000 1.718 652 H HN 1.013 nan 8.280 nan 0.000 0.540 653 G N 0.280 109.061 108.800 -0.032 0.000 2.795 653 G HA2 0.322 4.282 3.960 0.000 0.000 0.664 653 G HA3 0.322 4.282 3.960 0.000 0.000 0.664 653 G C 0.520 175.411 174.900 -0.015 0.000 1.381 653 G CA 0.368 45.420 45.100 -0.079 0.000 0.853 653 G HN 2.161 nan 8.290 nan 0.000 0.545 654 G N -0.404 108.442 108.800 0.075 0.000 2.566 654 G HA2 -0.217 3.743 3.960 0.000 0.000 0.280 654 G HA3 -0.217 3.743 3.960 0.000 0.000 0.280 654 G C 0.988 175.921 174.900 0.054 0.000 1.225 654 G CA 1.250 46.392 45.100 0.070 0.000 0.966 654 G HN 1.586 nan 8.290 nan 0.000 0.560 655 K N 1.003 121.342 120.400 -0.103 0.000 2.418 655 K HA 0.134 4.454 4.320 0.000 0.000 0.195 655 K C 1.109 177.401 176.600 -0.513 0.000 1.035 655 K CA 1.079 57.243 56.287 -0.205 0.000 1.003 655 K CB 0.257 32.646 32.500 -0.186 0.000 0.793 655 K HN 0.546 nan 8.250 nan 0.000 0.494 656 E N 0.971 120.779 120.200 -0.653 0.000 3.105 656 E HA 0.181 4.531 4.350 0.000 0.000 0.219 656 E C -1.060 175.041 176.600 -0.833 0.000 1.064 656 E CA -0.390 55.198 56.400 -1.353 0.000 1.342 656 E CB 1.108 30.212 29.700 -0.993 0.000 1.295 656 E HN 0.143 nan 8.360 nan 0.000 0.438 657 A N 1.454 123.953 122.820 -0.535 0.000 2.545 657 A HA 0.127 4.447 4.320 0.000 0.000 0.297 657 A C 0.521 178.196 177.584 0.152 0.000 1.340 657 A CA -0.084 51.866 52.037 -0.144 0.000 1.016 657 A CB -0.259 18.538 19.000 -0.337 0.000 1.122 657 A HN 0.095 nan 8.150 nan 0.000 0.537 658 T N 2.599 117.289 114.554 0.228 0.000 2.940 658 T HA 0.413 4.763 4.350 0.000 0.000 0.309 658 T C 0.594 175.330 174.700 0.060 0.000 1.056 658 T CA 1.058 63.298 62.100 0.234 0.000 1.137 658 T CB 0.141 69.075 68.868 0.109 0.000 0.976 658 T HN 1.314 nan 8.240 nan 0.000 0.547 659 S N 2.067 117.749 115.700 -0.029 0.000 2.595 659 S HA 0.548 5.018 4.470 0.000 0.000 0.270 659 S C -1.541 172.929 174.600 -0.217 0.000 1.145 659 S CA -1.125 56.958 58.200 -0.195 0.000 0.825 659 S CB 1.076 64.030 63.200 -0.411 0.000 1.107 659 S HN 0.448 nan 8.310 nan 0.000 0.461 660 I N 2.389 122.811 120.570 -0.246 0.000 2.312 660 I HA 0.297 4.467 4.170 0.000 0.000 0.290 660 I C -0.381 175.616 176.117 -0.200 0.000 1.008 660 I CA -0.615 60.556 61.300 -0.215 0.000 1.226 660 I CB 1.054 38.952 38.000 -0.171 0.000 1.371 660 I HN 0.658 nan 8.210 nan 0.000 0.468 661 L N 7.167 128.280 121.223 -0.182 0.000 2.433 661 L HA 0.257 4.597 4.340 0.000 0.000 0.284 661 L C 0.079 176.898 176.870 -0.086 0.000 1.120 661 L CA -0.068 54.693 54.840 -0.131 0.000 0.879 661 L CB -0.103 41.892 42.059 -0.106 0.000 1.232 661 L HN 0.357 nan 8.230 nan 0.000 0.454 662 L N 6.509 127.709 121.223 -0.039 0.000 2.312 662 L HA 0.354 4.695 4.340 0.000 0.000 0.281 662 L C -1.768 175.108 176.870 0.011 0.000 1.070 662 L CA -1.721 53.127 54.840 0.014 0.000 0.805 662 L CB 1.422 43.535 42.059 0.090 0.000 1.174 662 L HN 0.364 nan 8.230 nan 0.000 0.434 663 P HA 0.091 nan 4.420 nan 0.000 0.231 663 P C -0.343 176.953 177.300 -0.006 0.000 1.811 663 P CA -0.145 62.932 63.100 -0.038 0.000 1.051 663 P CB 0.153 31.805 31.700 -0.081 0.000 1.951 664 V N 3.421 123.340 119.914 0.008 0.000 2.572 664 V HA 0.136 4.256 4.120 0.000 0.000 0.291 664 V C 1.095 177.173 176.094 -0.026 0.000 1.039 664 V CA 0.036 62.341 62.300 0.010 0.000 1.055 664 V CB 1.198 33.004 31.823 -0.028 0.000 0.969 664 V HN 0.312 nan 8.190 nan 0.000 0.482 665 V N 2.537 122.443 119.914 -0.013 0.000 3.001 665 V HA 0.699 4.819 4.120 0.000 0.000 0.314 665 V C -0.378 175.709 176.094 -0.012 0.000 1.099 665 V CA -1.230 61.058 62.300 -0.021 0.000 0.989 665 V CB 1.881 33.695 31.823 -0.015 0.000 1.040 665 V HN 0.735 nan 8.190 nan 0.000 0.434 666 K N 0.000 120.394 120.400 -0.011 0.000 2.780 666 K HA 0.000 4.320 4.320 0.000 0.000 0.191 666 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 666 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543