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 1mpx_1_A DATA FIRST_RESID 24 DATA SEQUENCE TSPXTPDITG KPFVAADASN DYIKREVXIP XRDGVKLHTV IVLPKGAKNA DATA SEQUENCE PIVLTRTPYD ASGRTERLAS PHXKDLLSAG DDVFVEGGYI RVFQDVRGKY DATA SEQUENCE GSEGDYVXTR PLRGPLNPSE VDHATDAWDT IDWLVKNVSE SNGKVGXIGS DATA SEQUENCE SYEGFTVVXA LTNPHPALKV AVPESPXIDG WXGDDWFNYG AFRQVNFDYF DATA SEQUENCE TGQLSKRGKG AGIARQGHDD YSNFLQAGSA GDFAKAAGLE QLPWWHKLTE DATA SEQUENCE HAAYDAFWQE QALDKVXART PLKVPTXWLQ GLWDQEDXWG AIHSYAAXEP DATA SEQUENCE RDKRNTLNYL VXGPWRHSQV NYDGSALGAL NFEGDTARQF RHDVLRPFFD DATA SEQUENCE QYLVDGAPKA DTPPVFIYNT GENHWDRLKA WPRScDKGcA ATSKPLYLQA DATA SEQUENCE GGKLSFQPPV AGQAGFEEYV SDPAKPVPFV PRPVDFADRA XWTTWLVHDQ DATA SEQUENCE RFVDGRPDVL TFVTEPLTEP LQIAGAPDVH LQASTSGSDS DWVVKLIDVY DATA SEQUENCE PEEXASNPKX GGYELPVSLA IFRGRYRESF STPKPLTSNQ PLAFQFGLPT DATA SEQUENCE ANHTFQPGHR VXVQVQSSLF PLYDRNPQTY VPNIFFAKPG DYQKATQRVY DATA SEQUENCE VSPEQPSYIS LPVR 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 24 T HA 0.000 nan 4.350 nan 0.000 0.228 24 T C 0.000 174.704 174.700 0.007 0.000 1.109 24 T CA 0.000 62.105 62.100 0.008 0.000 1.349 24 T CB 0.000 68.874 68.868 0.010 0.000 0.612 25 S N 3.925 119.629 115.700 0.007 0.000 2.562 25 S HA 0.526 4.996 4.470 0.001 0.000 0.281 25 S C -2.013 172.590 174.600 0.005 0.000 1.333 25 S CA -0.756 57.447 58.200 0.005 0.000 1.052 25 S CB -0.015 63.188 63.200 0.005 0.000 0.884 25 S HN 0.366 nan 8.310 nan 0.000 0.506 29 P HA 0.154 nan 4.420 nan 0.000 0.260 29 P C 0.448 177.754 177.300 0.010 0.000 1.185 29 P CA 0.055 63.160 63.100 0.009 0.000 0.763 29 P CB 0.518 32.225 31.700 0.010 0.000 0.776 30 D N 1.801 122.205 120.400 0.005 0.000 2.312 30 D HA -0.012 4.629 4.640 0.001 0.000 0.211 30 D C 0.629 176.932 176.300 0.004 0.000 0.964 30 D CA 1.018 55.020 54.000 0.003 0.000 0.877 30 D CB 0.329 41.126 40.800 -0.006 0.000 0.924 30 D HN 0.389 nan 8.370 nan 0.000 0.515 31 I N 1.992 122.566 120.570 0.006 0.000 2.330 31 I HA 0.035 4.206 4.170 0.001 0.000 0.286 31 I C 0.687 176.819 176.117 0.025 0.000 1.025 31 I CA -0.410 60.897 61.300 0.012 0.000 1.197 31 I CB 1.409 39.411 38.000 0.004 0.000 1.358 31 I HN -0.183 nan 8.210 nan 0.000 0.467 32 T N 1.683 116.262 114.554 0.041 0.000 2.828 32 T HA 0.223 4.573 4.350 0.001 0.000 0.290 32 T C 1.398 176.121 174.700 0.038 0.000 1.019 32 T CA -0.195 61.930 62.100 0.041 0.000 1.031 32 T CB 1.657 70.557 68.868 0.054 0.000 1.001 32 T HN 0.651 nan 8.240 nan 0.000 0.531 33 G N 0.033 108.851 108.800 0.030 0.000 2.402 33 G HA2 -0.063 3.897 3.960 0.001 0.000 0.216 33 G HA3 -0.063 3.897 3.960 0.001 0.000 0.216 33 G C 0.628 175.546 174.900 0.029 0.000 1.162 33 G CA 0.101 45.217 45.100 0.026 0.000 0.777 33 G HN 0.764 nan 8.290 nan 0.000 0.539 34 K N 1.840 122.259 120.400 0.031 0.000 2.310 34 K HA 0.254 4.575 4.320 0.001 0.000 0.290 34 K C -2.314 174.314 176.600 0.047 0.000 1.077 34 K CA -1.722 54.583 56.287 0.030 0.000 0.922 34 K CB 0.826 33.339 32.500 0.021 0.000 1.057 34 K HN -0.001 nan 8.250 nan 0.000 0.479 35 P HA -0.141 nan 4.420 nan 0.000 0.266 35 P C -0.540 176.820 177.300 0.100 0.000 1.186 35 P CA 0.056 63.204 63.100 0.079 0.000 0.767 35 P CB 0.244 31.978 31.700 0.057 0.000 0.820 36 F N 3.820 123.774 119.950 0.007 0.000 2.484 36 F HA 0.255 4.782 4.527 0.001 0.000 0.360 36 F C -0.437 175.368 175.800 0.009 0.000 1.101 36 F CA 0.081 58.085 58.000 0.007 0.000 1.251 36 F CB 0.505 39.509 39.000 0.007 0.000 1.132 36 F HN -0.017 nan 8.300 nan 0.000 0.570 37 V N 6.797 126.226 119.914 -0.808 0.000 2.407 37 V HA 0.561 4.681 4.120 0.001 0.000 0.291 37 V C 0.126 175.729 176.094 -0.819 0.000 1.018 37 V CA -0.882 61.085 62.300 -0.555 0.000 0.842 37 V CB 0.935 32.579 31.823 -0.299 0.000 0.996 37 V HN 1.074 nan 8.190 nan 0.000 0.426 38 A N 4.145 126.719 122.820 -0.411 0.000 2.462 38 A HA 0.701 5.022 4.320 0.001 0.000 0.243 38 A C 0.770 178.266 177.584 -0.148 0.000 1.076 38 A CA 0.381 52.314 52.037 -0.173 0.000 0.773 38 A CB 0.346 19.393 19.000 0.078 0.000 1.010 38 A HN 1.396 nan 8.150 nan 0.000 0.493 39 A N 1.761 124.526 122.820 -0.092 0.000 2.407 39 A HA 0.481 4.802 4.320 0.001 0.000 0.248 39 A C 0.290 177.838 177.584 -0.060 0.000 1.082 39 A CA 0.322 52.314 52.037 -0.076 0.000 0.785 39 A CB 0.078 19.052 19.000 -0.043 0.000 1.020 39 A HN 1.011 nan 8.150 nan 0.000 0.489 40 D N 0.070 120.422 120.400 -0.080 0.000 2.712 40 D HA 0.294 4.935 4.640 0.001 0.000 0.300 40 D C 0.735 176.958 176.300 -0.128 0.000 1.521 40 D CA 0.376 54.310 54.000 -0.110 0.000 0.790 40 D CB -0.394 40.334 40.800 -0.120 0.000 1.155 40 D HN 0.413 nan 8.370 nan 0.000 0.456 41 A N 0.835 123.600 122.820 -0.092 0.000 1.930 41 A HA -0.091 4.229 4.320 0.001 0.000 0.217 41 A C 2.108 179.640 177.584 -0.087 0.000 1.175 41 A CA 1.722 53.711 52.037 -0.080 0.000 0.627 41 A CB -0.540 18.427 19.000 -0.054 0.000 0.815 41 A HN 0.387 nan 8.150 nan 0.000 0.443 42 S N -0.151 115.495 115.700 -0.089 0.000 2.603 42 S HA 0.046 4.517 4.470 0.001 0.000 0.220 42 S C 0.329 174.853 174.600 -0.126 0.000 0.967 42 S CA -0.390 57.761 58.200 -0.081 0.000 0.920 42 S CB -0.561 62.602 63.200 -0.061 0.000 0.773 42 S HN 0.415 nan 8.310 nan 0.000 0.529 43 N N 3.845 122.418 118.700 -0.212 0.000 2.454 43 N HA 0.114 4.855 4.740 0.001 0.000 0.254 43 N C 0.106 175.461 175.510 -0.258 0.000 1.228 43 N CA 0.378 53.203 53.050 -0.375 0.000 0.900 43 N CB 0.711 38.746 38.487 -0.753 0.000 1.089 43 N HN 0.547 nan 8.380 nan 0.000 0.449 44 D N -0.348 119.980 120.400 -0.120 0.000 2.388 44 D HA 0.028 4.669 4.640 0.001 0.000 0.221 44 D C -0.370 175.999 176.300 0.114 0.000 1.133 44 D CA -0.140 53.880 54.000 0.035 0.000 0.831 44 D CB -0.498 40.385 40.800 0.137 0.000 0.962 44 D HN 0.576 nan 8.370 nan 0.000 0.502 45 Y N -2.127 118.190 120.300 0.028 0.000 2.644 45 Y HA 0.670 5.220 4.550 0.001 0.000 0.338 45 Y C -1.409 174.505 175.900 0.024 0.000 1.119 45 Y CA -1.822 56.297 58.100 0.033 0.000 1.060 45 Y CB 1.180 39.665 38.460 0.043 0.000 1.294 45 Y HN -0.269 nan 8.280 nan 0.000 0.472 46 I N 2.301 123.001 120.570 0.217 0.000 2.447 46 I HA 0.367 4.538 4.170 0.001 0.000 0.287 46 I C -0.841 175.427 176.117 0.251 0.000 1.023 46 I CA -0.925 60.455 61.300 0.132 0.000 1.083 46 I CB 1.752 39.791 38.000 0.066 0.000 1.245 46 I HN 0.726 nan 8.210 nan 0.000 0.434 47 K N 6.739 127.291 120.400 0.253 0.000 2.213 47 K HA 0.481 4.801 4.320 0.001 0.000 0.270 47 K C -0.488 176.185 176.600 0.121 0.000 1.002 47 K CA -0.586 55.821 56.287 0.200 0.000 0.868 47 K CB 1.529 34.161 32.500 0.220 0.000 1.093 47 K HN 0.620 nan 8.250 nan 0.000 0.454 48 R N 3.704 124.263 120.500 0.098 0.000 2.513 48 R HA 0.218 4.558 4.340 0.001 0.000 0.301 48 R C -1.110 175.227 176.300 0.060 0.000 0.968 48 R CA -0.510 55.639 56.100 0.082 0.000 0.872 48 R CB 1.345 31.698 30.300 0.090 0.000 1.177 48 R HN 0.695 nan 8.270 nan 0.000 0.444 49 E N 2.790 123.023 120.200 0.056 0.000 2.214 49 E HA 0.422 4.772 4.350 0.001 0.000 0.274 49 E C -0.540 176.070 176.600 0.016 0.000 0.977 49 E CA -0.859 55.552 56.400 0.019 0.000 0.827 49 E CB 2.218 31.976 29.700 0.096 0.000 1.130 49 E HN 0.467 nan 8.360 nan 0.000 0.394 56 D N 1.250 121.668 120.400 0.030 0.000 2.328 56 D HA 0.194 4.834 4.640 0.001 0.000 0.221 56 D C 1.221 177.536 176.300 0.025 0.000 1.072 56 D CA 0.821 54.835 54.000 0.022 0.000 0.850 56 D CB 0.764 41.574 40.800 0.016 0.000 0.922 56 D HN 0.549 nan 8.370 nan 0.000 0.516 57 G N -0.244 108.574 108.800 0.031 0.000 2.217 57 G HA2 -0.277 3.683 3.960 0.001 0.000 0.246 57 G HA3 -0.277 3.683 3.960 0.001 0.000 0.246 57 G C 0.242 175.157 174.900 0.025 0.000 0.990 57 G CA 0.141 45.259 45.100 0.029 0.000 0.627 57 G HN 0.375 nan 8.290 nan 0.000 0.522 58 V N 2.152 122.081 119.914 0.025 0.000 2.572 58 V HA 0.312 4.433 4.120 0.001 0.000 0.291 58 V C 0.790 176.894 176.094 0.017 0.000 1.039 58 V CA 0.360 62.675 62.300 0.024 0.000 1.055 58 V CB 1.244 33.084 31.823 0.030 0.000 0.969 58 V HN 0.332 nan 8.190 nan 0.000 0.482 59 K N 5.792 126.199 120.400 0.012 0.000 2.183 59 K HA 0.585 4.905 4.320 0.001 0.000 0.274 59 K C -0.943 175.662 176.600 0.008 0.000 1.009 59 K CA -0.473 55.809 56.287 -0.009 0.000 0.888 59 K CB 1.398 33.890 32.500 -0.013 0.000 1.078 59 K HN 0.501 nan 8.250 nan 0.000 0.459 60 L N 3.093 124.307 121.223 -0.015 0.000 2.296 60 L HA 0.240 4.581 4.340 0.001 0.000 0.286 60 L C 0.433 177.314 176.870 0.018 0.000 1.023 60 L CA -0.816 54.039 54.840 0.024 0.000 0.812 60 L CB 1.040 43.113 42.059 0.024 0.000 1.223 60 L HN 0.636 nan 8.230 nan 0.000 0.421 61 H N 3.286 122.346 119.070 -0.016 0.000 2.975 61 H HA 0.148 4.705 4.556 0.001 0.000 0.303 61 H C -1.130 174.191 175.328 -0.012 0.000 1.023 61 H CA 0.133 56.171 56.048 -0.017 0.000 1.473 61 H CB 0.667 30.441 29.762 0.019 0.000 1.498 61 H HN 0.540 nan 8.280 nan 0.000 0.549 62 T N 5.794 120.088 114.554 -0.434 0.000 2.848 62 T HA 0.278 4.629 4.350 0.001 0.000 0.285 62 T C -0.529 173.957 174.700 -0.357 0.000 0.995 62 T CA -0.700 61.205 62.100 -0.326 0.000 0.970 62 T CB 1.752 70.486 68.868 -0.224 0.000 0.976 62 T HN 0.358 nan 8.240 nan 0.000 0.441 63 V N 4.516 124.302 119.914 -0.215 0.000 2.384 63 V HA 0.522 4.642 4.120 0.001 0.000 0.287 63 V C -0.338 175.762 176.094 0.011 0.000 1.020 63 V CA -0.765 61.474 62.300 -0.101 0.000 0.850 63 V CB 1.181 32.972 31.823 -0.053 0.000 0.987 63 V HN 0.787 nan 8.190 nan 0.000 0.436 64 I N 5.206 125.795 120.570 0.031 0.000 2.362 64 I HA 0.476 4.646 4.170 0.001 0.000 0.289 64 I C -0.611 175.555 176.117 0.082 0.000 0.994 64 I CA -0.762 60.576 61.300 0.064 0.000 1.158 64 I CB 1.976 40.024 38.000 0.080 0.000 1.315 64 I HN 0.271 nan 8.210 nan 0.000 0.451 65 V N 7.577 127.542 119.914 0.085 0.000 2.334 65 V HA 0.427 4.547 4.120 0.001 0.000 0.281 65 V C -0.245 175.912 176.094 0.105 0.000 1.016 65 V CA -0.498 61.857 62.300 0.091 0.000 0.832 65 V CB 1.259 33.099 31.823 0.029 0.000 0.999 65 V HN 0.425 nan 8.190 nan 0.000 0.439 66 L N 7.496 128.799 121.223 0.133 0.000 2.329 66 L HA 0.627 4.968 4.340 0.001 0.000 0.279 66 L C -2.480 174.478 176.870 0.146 0.000 1.014 66 L CA -1.747 53.162 54.840 0.115 0.000 0.814 66 L CB 1.502 43.613 42.059 0.087 0.000 1.257 66 L HN 0.363 nan 8.230 nan 0.000 0.424 67 P HA 0.113 nan 4.420 nan 0.000 0.271 67 P C -0.821 176.534 177.300 0.091 0.000 1.216 67 P CA -0.425 62.751 63.100 0.127 0.000 0.776 67 P CB 0.454 32.212 31.700 0.097 0.000 0.881 68 K N 1.618 122.067 120.400 0.081 0.000 2.401 68 K HA 0.294 4.614 4.320 0.001 0.000 0.278 68 K C 1.218 177.836 176.600 0.031 0.000 1.018 68 K CA 0.916 57.227 56.287 0.041 0.000 0.981 68 K CB -0.283 32.228 32.500 0.019 0.000 0.933 68 K HN 0.827 nan 8.250 nan 0.000 0.477 69 G N 1.351 110.161 108.800 0.018 0.000 2.143 69 G HA2 -0.299 3.662 3.960 0.001 0.000 0.249 69 G HA3 -0.299 3.662 3.960 0.001 0.000 0.249 69 G C 0.164 175.067 174.900 0.005 0.000 0.981 69 G CA 0.061 45.166 45.100 0.009 0.000 0.665 69 G HN 0.825 nan 8.290 nan 0.000 0.528 70 A N -0.046 122.780 122.820 0.011 0.000 2.520 70 A HA 0.624 4.945 4.320 0.001 0.000 0.245 70 A C 0.517 178.093 177.584 -0.014 0.000 1.072 70 A CA 1.300 53.338 52.037 0.001 0.000 0.761 70 A CB 0.225 19.233 19.000 0.013 0.000 1.004 70 A HN 1.715 nan 8.150 nan 0.000 0.499 71 K N 1.230 121.613 120.400 -0.028 0.000 2.550 71 K HA 0.520 4.841 4.320 0.001 0.000 0.252 71 K C -0.413 176.156 176.600 -0.052 0.000 0.943 71 K CA -0.624 55.642 56.287 -0.036 0.000 0.806 71 K CB 0.739 33.221 32.500 -0.030 0.000 1.289 71 K HN 0.438 nan 8.250 nan 0.000 0.435 72 N N 0.349 119.015 118.700 -0.056 0.000 2.727 72 N HA -0.237 4.504 4.740 0.001 0.000 0.249 72 N C -1.305 174.149 175.510 -0.093 0.000 1.048 72 N CA 1.094 54.103 53.050 -0.070 0.000 0.714 72 N CB -0.773 37.675 38.487 -0.064 0.000 0.959 72 N HN 0.894 nan 8.380 nan 0.000 0.544 73 A N 0.165 122.928 122.820 -0.095 0.000 2.306 73 A HA 0.697 5.018 4.320 0.001 0.000 0.314 73 A C -2.176 175.322 177.584 -0.142 0.000 1.164 73 A CA -1.216 50.739 52.037 -0.136 0.000 0.822 73 A CB 1.007 19.946 19.000 -0.101 0.000 1.130 73 A HN 0.232 nan 8.150 nan 0.000 0.496 74 P HA 0.386 nan 4.420 nan 0.000 0.274 74 P C -0.773 176.515 177.300 -0.020 0.000 1.246 74 P CA 0.001 63.012 63.100 -0.148 0.000 0.795 74 P CB 0.798 32.361 31.700 -0.228 0.000 1.006 75 I N 0.545 121.116 120.570 0.003 0.000 2.441 75 I HA 0.292 4.462 4.170 0.001 0.000 0.295 75 I C -0.279 175.820 176.117 -0.029 0.000 0.994 75 I CA -1.063 60.239 61.300 0.003 0.000 1.144 75 I CB 2.112 40.083 38.000 -0.048 0.000 1.314 75 I HN -0.030 nan 8.210 nan 0.000 0.445 76 V N 6.724 126.574 119.914 -0.107 0.000 2.378 76 V HA 0.387 4.508 4.120 0.001 0.000 0.288 76 V C -0.486 175.444 176.094 -0.273 0.000 1.016 76 V CA -0.599 61.537 62.300 -0.273 0.000 0.840 76 V CB 1.662 33.058 31.823 -0.712 0.000 0.994 76 V HN 0.393 nan 8.190 nan 0.000 0.431 77 L N 5.159 126.243 121.223 -0.232 0.000 2.334 77 L HA 0.874 5.214 4.340 0.001 0.000 0.276 77 L C -0.083 176.619 176.870 -0.279 0.000 1.014 77 L CA 0.605 55.301 54.840 -0.240 0.000 0.815 77 L CB 2.304 44.273 42.059 -0.151 0.000 1.268 77 L HN 0.664 nan 8.230 nan 0.000 0.428 78 T N 4.617 118.931 114.554 -0.399 0.000 2.921 78 T HA 0.560 4.910 4.350 0.001 0.000 0.297 78 T C -0.792 173.816 174.700 -0.153 0.000 1.013 78 T CA -0.610 61.284 62.100 -0.343 0.000 0.990 78 T CB 1.275 69.728 68.868 -0.692 0.000 1.023 78 T HN 0.544 nan 8.240 nan 0.000 0.447 79 R N 1.654 122.155 120.500 0.002 0.000 2.343 79 R HA 0.726 5.066 4.340 0.001 0.000 0.320 79 R C -0.407 175.987 176.300 0.157 0.000 0.956 79 R CA -0.772 55.382 56.100 0.090 0.000 0.836 79 R CB 1.781 32.141 30.300 0.099 0.000 1.151 79 R HN 0.516 nan 8.270 nan 0.000 0.450 80 T N 2.189 116.840 114.554 0.162 0.000 2.909 80 T HA 0.434 4.785 4.350 0.001 0.000 0.299 80 T C -2.351 172.299 174.700 -0.083 0.000 1.073 80 T CA -2.077 60.079 62.100 0.093 0.000 0.999 80 T CB 1.865 70.875 68.868 0.237 0.000 1.098 80 T HN 0.353 nan 8.240 nan 0.000 0.477 81 P HA 0.253 nan 4.420 nan 0.000 0.266 81 P C -0.507 176.547 177.300 -0.409 0.000 1.381 81 P CA -0.064 62.709 63.100 -0.546 0.000 0.940 81 P CB -0.110 30.952 31.700 -1.063 0.000 1.435 82 Y N 0.198 120.493 120.300 -0.009 0.000 2.774 82 Y HA 0.376 4.926 4.550 0.001 0.000 0.305 82 Y C 0.205 175.891 175.900 -0.357 0.000 1.067 82 Y CA -1.465 56.595 58.100 -0.068 0.000 1.304 82 Y CB -0.679 37.785 38.460 0.008 0.000 1.209 82 Y HN -0.063 nan 8.280 nan 0.000 0.543 83 D N 0.224 120.283 120.400 -0.569 0.000 4.520 83 D HA -0.164 4.476 4.640 0.001 0.000 0.245 83 D C 0.968 177.085 176.300 -0.305 0.000 1.068 83 D CA 0.539 54.039 54.000 -0.834 0.000 1.211 83 D CB -0.329 39.768 40.800 -1.172 0.000 0.818 83 D HN 0.443 nan 8.370 nan 0.000 0.392 84 A N 2.693 125.449 122.820 -0.106 0.000 1.908 84 A HA -0.169 4.152 4.320 0.001 0.000 0.218 84 A C 2.386 179.910 177.584 -0.100 0.000 1.181 84 A CA 2.219 54.240 52.037 -0.028 0.000 0.627 84 A CB -0.257 18.795 19.000 0.086 0.000 0.818 84 A HN 0.548 nan 8.150 nan 0.000 0.445 85 S N -0.650 115.038 115.700 -0.020 0.000 2.382 85 S HA -0.046 4.424 4.470 0.001 0.000 0.228 85 S C 2.037 176.575 174.600 -0.103 0.000 1.027 85 S CA 1.115 59.310 58.200 -0.008 0.000 0.991 85 S CB -0.545 62.700 63.200 0.074 0.000 0.823 85 S HN 0.780 nan 8.310 nan 0.000 0.469 86 G N 1.704 110.406 108.800 -0.162 0.000 2.403 86 G HA2 -0.143 3.818 3.960 0.001 0.000 0.216 86 G HA3 -0.143 3.818 3.960 0.001 0.000 0.216 86 G C 1.466 176.235 174.900 -0.218 0.000 1.154 86 G CA 0.161 45.161 45.100 -0.167 0.000 0.784 86 G HN 0.286 nan 8.290 nan 0.000 0.538 87 R N 0.586 120.881 120.500 -0.342 0.000 2.189 87 R HA -0.037 4.303 4.340 0.001 0.000 0.223 87 R C 2.140 178.066 176.300 -0.623 0.000 1.092 87 R CA 1.484 57.246 56.100 -0.563 0.000 0.989 87 R CB -0.755 28.961 30.300 -0.973 0.000 0.876 87 R HN 0.522 nan 8.270 nan 0.000 0.457 88 T N -2.507 111.788 114.554 -0.431 0.000 3.186 88 T HA 0.209 4.559 4.350 0.001 0.000 0.257 88 T C 0.384 174.985 174.700 -0.164 0.000 1.029 88 T CA -0.293 61.652 62.100 -0.259 0.000 0.916 88 T CB 0.152 68.937 68.868 -0.139 0.000 1.041 88 T HN 0.106 nan 8.240 nan 0.000 0.562 89 E N 0.815 120.926 120.200 -0.148 0.000 3.626 89 E HA 0.241 4.591 4.350 0.001 0.000 0.245 89 E C 1.375 177.934 176.600 -0.068 0.000 1.236 89 E CA -0.444 55.903 56.400 -0.088 0.000 1.072 89 E CB 0.334 30.004 29.700 -0.051 0.000 1.309 89 E HN 0.077 nan 8.360 nan 0.000 0.400 90 R N 1.455 121.914 120.500 -0.067 0.000 2.096 90 R HA -0.010 4.331 4.340 0.001 0.000 0.235 90 R C -0.025 176.271 176.300 -0.008 0.000 1.127 90 R CA 1.073 57.153 56.100 -0.033 0.000 0.968 90 R CB 0.107 30.391 30.300 -0.026 0.000 0.861 90 R HN 0.381 nan 8.270 nan 0.000 0.440 91 L N -0.466 120.753 121.223 -0.006 0.000 2.493 91 L HA 0.435 4.775 4.340 0.001 0.000 0.265 91 L C -1.493 175.389 176.870 0.021 0.000 0.954 91 L CA -0.453 54.396 54.840 0.016 0.000 0.844 91 L CB 1.905 43.984 42.059 0.033 0.000 1.302 91 L HN 0.072 nan 8.230 nan 0.000 0.405 92 A N 3.304 126.143 122.820 0.032 0.000 2.473 92 A HA 0.591 4.912 4.320 0.001 0.000 0.282 92 A C 0.031 177.648 177.584 0.056 0.000 1.163 92 A CA 0.716 52.782 52.037 0.049 0.000 0.827 92 A CB -0.350 18.681 19.000 0.052 0.000 1.098 92 A HN 0.861 nan 8.150 nan 0.000 0.515 93 S N 3.199 118.943 115.700 0.074 0.000 2.537 93 S HA 0.687 5.157 4.470 0.001 0.000 0.271 93 S C -2.507 172.145 174.600 0.087 0.000 1.148 93 S CA -0.815 57.414 58.200 0.049 0.000 0.868 93 S CB 1.750 64.995 63.200 0.074 0.000 1.115 93 S HN 0.333 nan 8.310 nan 0.000 0.461 94 P HA 0.108 nan 4.420 nan 0.000 0.237 94 P C -0.019 177.253 177.300 -0.048 0.000 1.178 94 P CA 0.652 63.669 63.100 -0.138 0.000 0.766 94 P CB -0.188 31.319 31.700 -0.321 0.000 0.876 98 D N 1.492 121.938 120.400 0.078 0.000 2.277 98 D HA 0.015 4.655 4.640 0.001 0.000 0.209 98 D C 1.831 178.145 176.300 0.024 0.000 0.970 98 D CA 0.661 54.702 54.000 0.068 0.000 0.874 98 D CB 0.347 41.228 40.800 0.136 0.000 0.982 98 D HN 0.130 nan 8.370 nan 0.000 0.504 99 L N 0.861 122.075 121.223 -0.014 0.000 2.046 99 L HA -0.020 4.320 4.340 0.001 0.000 0.208 99 L C 0.812 177.620 176.870 -0.103 0.000 1.077 99 L CA 1.242 56.024 54.840 -0.096 0.000 0.747 99 L CB -0.170 41.713 42.059 -0.293 0.000 0.896 99 L HN -0.127 nan 8.230 nan 0.000 0.432 100 L N -0.454 120.717 121.223 -0.088 0.000 2.454 100 L HA 0.279 4.620 4.340 0.001 0.000 0.256 100 L C 0.949 177.795 176.870 -0.039 0.000 1.136 100 L CA -0.372 54.433 54.840 -0.058 0.000 0.804 100 L CB 0.877 42.932 42.059 -0.006 0.000 1.181 100 L HN 0.237 nan 8.230 nan 0.000 0.469 101 S N 0.335 116.010 115.700 -0.041 0.000 2.580 101 S HA 0.130 4.600 4.470 0.001 0.000 0.266 101 S C 1.071 175.622 174.600 -0.081 0.000 1.354 101 S CA -0.068 58.094 58.200 -0.063 0.000 1.008 101 S CB 1.134 64.284 63.200 -0.084 0.000 0.898 101 S HN 0.697 nan 8.310 nan 0.000 0.555 102 A N 1.776 124.519 122.820 -0.128 0.000 1.940 102 A HA 0.113 4.433 4.320 0.001 0.000 0.219 102 A C 2.191 179.665 177.584 -0.184 0.000 1.176 102 A CA 1.636 53.592 52.037 -0.136 0.000 0.631 102 A CB -1.753 17.165 19.000 -0.136 0.000 0.814 102 A HN 1.211 nan 8.150 nan 0.000 0.446 103 G N -1.032 107.614 108.800 -0.257 0.000 2.534 103 G HA2 -0.087 3.874 3.960 0.001 0.000 0.217 103 G HA3 -0.087 3.874 3.960 0.001 0.000 0.217 103 G C 0.765 175.543 174.900 -0.202 0.000 1.128 103 G CA 0.954 45.907 45.100 -0.245 0.000 0.784 103 G HN 0.434 nan 8.290 nan 0.000 0.542 104 D N 0.818 121.161 120.400 -0.096 0.000 2.328 104 D HA 0.016 4.657 4.640 0.001 0.000 0.221 104 D C 1.941 178.180 176.300 -0.100 0.000 1.072 104 D CA 0.403 54.402 54.000 -0.001 0.000 0.850 104 D CB 0.119 41.015 40.800 0.161 0.000 0.922 104 D HN 0.408 nan 8.370 nan 0.000 0.516 105 D N 0.592 120.899 120.400 -0.155 0.000 2.133 105 D HA -0.192 4.449 4.640 0.001 0.000 0.195 105 D C 2.027 178.233 176.300 -0.156 0.000 0.997 105 D CA 1.464 55.394 54.000 -0.118 0.000 0.840 105 D CB -0.839 39.902 40.800 -0.098 0.000 0.947 105 D HN 0.277 nan 8.370 nan 0.000 0.452 106 V N -2.669 117.039 119.914 -0.344 0.000 2.809 106 V HA -0.050 4.071 4.120 0.001 0.000 0.256 106 V C 2.208 178.129 176.094 -0.288 0.000 1.080 106 V CA 0.851 62.925 62.300 -0.377 0.000 1.102 106 V CB -1.091 30.392 31.823 -0.567 0.000 0.705 106 V HN -0.075 nan 8.190 nan 0.000 0.475 107 F N 0.676 120.544 119.950 -0.136 0.000 2.234 107 F HA 0.139 4.666 4.527 0.001 0.000 0.296 107 F C 2.419 178.279 175.800 0.099 0.000 1.089 107 F CA 0.837 58.773 58.000 -0.107 0.000 1.343 107 F CB -1.065 37.810 39.000 -0.209 0.000 1.040 107 F HN 0.012 nan 8.300 nan 0.000 0.498 108 V N 0.009 120.040 119.914 0.196 0.000 2.358 108 V HA -0.236 3.884 4.120 0.001 0.000 0.246 108 V C 2.110 178.283 176.094 0.131 0.000 1.047 108 V CA 1.813 64.205 62.300 0.152 0.000 1.035 108 V CB -0.614 31.263 31.823 0.090 0.000 0.658 108 V HN 0.268 nan 8.190 nan 0.000 0.452 109 E N 0.367 120.619 120.200 0.087 0.000 2.153 109 E HA -0.127 4.224 4.350 0.001 0.000 0.194 109 E C 2.130 178.789 176.600 0.098 0.000 0.988 109 E CA 1.129 57.568 56.400 0.066 0.000 0.811 109 E CB -0.337 29.377 29.700 0.023 0.000 0.746 109 E HN 0.632 nan 8.360 nan 0.000 0.466 110 G N -0.458 108.458 108.800 0.192 0.000 2.985 110 G HA2 0.155 4.116 3.960 0.001 0.000 0.209 110 G HA3 0.155 4.116 3.960 0.001 0.000 0.209 110 G C 0.998 175.992 174.900 0.158 0.000 1.165 110 G CA 0.154 45.405 45.100 0.252 0.000 0.776 110 G HN 0.369 nan 8.290 nan 0.000 0.541 111 G N -1.024 107.874 108.800 0.164 0.000 2.160 111 G HA2 -0.313 3.647 3.960 0.001 0.000 0.251 111 G HA3 -0.313 3.647 3.960 0.001 0.000 0.251 111 G C 0.145 175.072 174.900 0.046 0.000 1.008 111 G CA 0.096 45.239 45.100 0.072 0.000 0.724 111 G HN 0.413 nan 8.290 nan 0.000 0.514 112 Y N -0.719 119.627 120.300 0.078 0.000 2.326 112 Y HA 0.547 5.098 4.550 0.001 0.000 0.333 112 Y C 1.445 177.362 175.900 0.028 0.000 1.240 112 Y CA -0.465 57.663 58.100 0.047 0.000 1.365 112 Y CB 0.622 39.118 38.460 0.059 0.000 1.289 112 Y HN 0.153 nan 8.280 nan 0.000 0.548 113 I N 3.243 123.903 120.570 0.149 0.000 2.325 113 I HA 0.248 4.419 4.170 0.001 0.000 0.291 113 I C -0.163 175.994 176.117 0.067 0.000 1.019 113 I CA -0.484 60.870 61.300 0.090 0.000 1.302 113 I CB 0.840 38.867 38.000 0.045 0.000 1.401 113 I HN 0.385 nan 8.210 nan 0.000 0.485 114 R N 5.577 126.115 120.500 0.062 0.000 2.294 114 R HA 0.630 4.970 4.340 0.001 0.000 0.319 114 R C -1.506 174.813 176.300 0.031 0.000 0.984 114 R CA -0.400 55.711 56.100 0.019 0.000 0.861 114 R CB 1.150 31.506 30.300 0.093 0.000 1.104 114 R HN 0.401 nan 8.270 nan 0.000 0.451 115 V N 5.618 125.493 119.914 -0.065 0.000 2.531 115 V HA 0.527 4.648 4.120 0.001 0.000 0.301 115 V C -0.927 175.072 176.094 -0.159 0.000 1.034 115 V CA -0.652 61.623 62.300 -0.041 0.000 0.865 115 V CB 1.498 33.290 31.823 -0.051 0.000 0.995 115 V HN 0.596 nan 8.190 nan 0.000 0.424 116 F N 2.804 122.729 119.950 -0.041 0.000 2.520 116 F HA 0.628 5.156 4.527 0.001 0.000 0.322 116 F C 0.100 175.867 175.800 -0.055 0.000 1.103 116 F CA -0.284 57.697 58.000 -0.031 0.000 0.926 116 F CB 2.061 41.046 39.000 -0.025 0.000 1.154 116 F HN 0.431 nan 8.300 nan 0.000 0.453 117 Q N 2.832 122.709 119.800 0.129 0.000 2.356 117 Q HA 0.287 4.627 4.340 0.001 0.000 0.270 117 Q C -1.646 174.425 176.000 0.118 0.000 1.058 117 Q CA -0.982 54.861 55.803 0.065 0.000 0.802 117 Q CB 1.785 30.539 28.738 0.026 0.000 1.303 117 Q HN 0.493 nan 8.270 nan 0.000 0.444 118 D N 2.916 123.391 120.400 0.124 0.000 2.383 118 D HA 0.114 4.754 4.640 0.001 0.000 0.252 118 D C 0.312 176.709 176.300 0.160 0.000 1.166 118 D CA 0.095 54.191 54.000 0.160 0.000 0.879 118 D CB 1.121 42.057 40.800 0.227 0.000 1.164 118 D HN 0.451 nan 8.370 nan 0.000 0.462 119 V N 1.346 121.367 119.914 0.178 0.000 3.237 119 V HA 0.150 4.271 4.120 0.001 0.000 0.305 119 V C 0.896 177.137 176.094 0.246 0.000 1.096 119 V CA -0.863 61.597 62.300 0.266 0.000 1.130 119 V CB 0.514 32.589 31.823 0.419 0.000 1.048 119 V HN 0.534 nan 8.190 nan 0.000 0.484 120 R N 1.976 122.629 120.500 0.255 0.000 2.485 120 R HA 0.280 4.621 4.340 0.001 0.000 0.304 120 R C 1.255 177.705 176.300 0.250 0.000 0.934 120 R CA 1.203 57.418 56.100 0.191 0.000 1.102 120 R CB -0.608 29.767 30.300 0.125 0.000 0.906 120 R HN 1.893 nan 8.270 nan 0.000 0.407 121 G N 3.015 111.917 108.800 0.171 0.000 2.157 121 G HA2 -0.218 3.743 3.960 0.001 0.000 0.248 121 G HA3 -0.218 3.743 3.960 0.001 0.000 0.248 121 G C -0.424 174.496 174.900 0.035 0.000 0.979 121 G CA 0.176 45.372 45.100 0.161 0.000 0.650 121 G HN 0.520 nan 8.290 nan 0.000 0.529 122 K N -0.774 119.630 120.400 0.006 0.000 2.316 122 K HA 0.659 4.980 4.320 0.001 0.000 0.251 122 K C 0.882 177.512 176.600 0.050 0.000 0.934 122 K CA -0.862 55.361 56.287 -0.107 0.000 0.802 122 K CB 1.544 33.959 32.500 -0.142 0.000 1.171 122 K HN 0.148 nan 8.250 nan 0.000 0.426 123 Y N 0.262 120.510 120.300 -0.087 0.000 2.815 123 Y HA -0.451 4.100 4.550 0.001 0.000 0.471 123 Y C 1.836 177.693 175.900 -0.070 0.000 1.140 123 Y CA 2.195 60.257 58.100 -0.063 0.000 2.728 123 Y CB -1.483 36.957 38.460 -0.034 0.000 1.169 123 Y HN 0.817 nan 8.280 nan 0.000 0.620 124 G N -0.119 108.739 108.800 0.096 0.000 2.744 124 G HA2 0.157 4.117 3.960 0.001 0.000 0.211 124 G HA3 0.157 4.117 3.960 0.001 0.000 0.211 124 G C 0.303 175.217 174.900 0.022 0.000 1.143 124 G CA 0.777 45.807 45.100 -0.116 0.000 0.788 124 G HN 0.299 nan 8.290 nan 0.000 0.534 125 S N 0.298 116.060 115.700 0.102 0.000 2.601 125 S HA 0.340 4.811 4.470 0.001 0.000 0.271 125 S C 0.218 174.853 174.600 0.058 0.000 1.305 125 S CA -0.478 57.782 58.200 0.100 0.000 1.022 125 S CB 1.513 64.787 63.200 0.124 0.000 0.940 125 S HN 0.456 nan 8.310 nan 0.000 0.525 126 E N 0.307 120.538 120.200 0.052 0.000 2.330 126 E HA 0.620 4.971 4.350 0.001 0.000 0.256 126 E C 0.508 177.139 176.600 0.052 0.000 1.146 126 E CA -0.465 55.959 56.400 0.039 0.000 0.945 126 E CB 0.585 30.303 29.700 0.030 0.000 1.182 126 E HN 0.841 nan 8.360 nan 0.000 0.480 127 G N 0.686 109.513 108.800 0.046 0.000 2.712 127 G HA2 -0.144 3.817 3.960 0.001 0.000 0.683 127 G HA3 -0.144 3.817 3.960 0.001 0.000 0.683 127 G C -1.351 173.590 174.900 0.069 0.000 1.320 127 G CA -0.763 44.369 45.100 0.053 0.000 0.847 127 G HN 0.467 nan 8.290 nan 0.000 0.553 128 D N -0.535 119.907 120.400 0.071 0.000 2.193 128 D HA 0.505 5.146 4.640 0.001 0.000 0.249 128 D C -0.383 176.001 176.300 0.141 0.000 1.034 128 D CA 0.039 54.093 54.000 0.090 0.000 0.902 128 D CB 1.493 42.327 40.800 0.058 0.000 1.182 128 D HN 0.457 nan 8.370 nan 0.000 0.436 129 Y N 1.644 121.963 120.300 0.032 0.000 2.328 129 Y HA 0.414 4.964 4.550 0.001 0.000 0.337 129 Y C -0.758 175.181 175.900 0.064 0.000 1.008 129 Y CA -0.280 57.849 58.100 0.048 0.000 1.129 129 Y CB 0.632 39.108 38.460 0.026 0.000 1.185 129 Y HN 0.083 nan 8.280 nan 0.000 0.476 133 R N 2.692 123.368 120.500 0.293 0.000 2.730 133 R HA 0.061 4.402 4.340 0.001 0.000 0.327 133 R C -2.030 174.422 176.300 0.252 0.000 0.825 133 R CA -0.320 55.877 56.100 0.161 0.000 1.130 133 R CB 0.210 30.473 30.300 -0.061 0.000 0.883 133 R HN 0.313 nan 8.270 nan 0.000 0.407 134 P HA -0.006 nan 4.420 nan 0.000 0.272 134 P C -0.122 177.225 177.300 0.078 0.000 1.230 134 P CA -0.192 62.976 63.100 0.114 0.000 0.788 134 P CB 0.588 32.293 31.700 0.009 0.000 0.949 135 L N 1.501 122.767 121.223 0.072 0.000 2.482 135 L HA 0.078 4.419 4.340 0.001 0.000 0.273 135 L C 1.537 178.417 176.870 0.017 0.000 1.228 135 L CA -0.019 54.848 54.840 0.044 0.000 0.827 135 L CB -0.139 41.945 42.059 0.042 0.000 1.099 135 L HN 0.300 nan 8.230 nan 0.000 0.494 136 R N 1.229 121.733 120.500 0.007 0.000 2.502 136 R HA 0.328 4.669 4.340 0.001 0.000 0.292 136 R C 0.352 176.649 176.300 -0.004 0.000 0.998 136 R CA 0.830 56.927 56.100 -0.004 0.000 1.056 136 R CB 0.115 30.409 30.300 -0.011 0.000 0.939 136 R HN 0.876 nan 8.270 nan 0.000 0.411 137 G N 2.963 111.757 108.800 -0.009 0.000 2.404 137 G HA2 -0.025 3.936 3.960 0.001 0.000 0.253 137 G HA3 -0.025 3.936 3.960 0.001 0.000 0.253 137 G C -2.359 172.532 174.900 -0.016 0.000 1.253 137 G CA -0.896 44.197 45.100 -0.011 0.000 0.917 137 G HN 0.347 nan 8.290 nan 0.000 0.480 138 P HA 0.037 nan 4.420 nan 0.000 0.216 138 P C 1.800 179.085 177.300 -0.026 0.000 1.150 138 P CA 1.102 64.188 63.100 -0.024 0.000 0.843 138 P CB 0.046 31.726 31.700 -0.033 0.000 0.787 139 L N -2.809 118.392 121.223 -0.036 0.000 2.529 139 L HA 0.141 4.482 4.340 0.001 0.000 0.223 139 L C 0.743 177.606 176.870 -0.011 0.000 1.113 139 L CA 0.232 55.053 54.840 -0.031 0.000 0.861 139 L CB -0.272 41.737 42.059 -0.082 0.000 1.012 139 L HN -0.036 nan 8.230 nan 0.000 0.461 140 N N 0.211 118.904 118.700 -0.011 0.000 2.609 140 N HA 0.202 4.943 4.740 0.001 0.000 0.268 140 N C -2.221 173.284 175.510 -0.008 0.000 1.106 140 N CA -1.626 51.420 53.050 -0.006 0.000 0.823 140 N CB 1.620 40.104 38.487 -0.005 0.000 1.263 140 N HN -0.230 nan 8.380 nan 0.000 0.533 141 P HA 0.043 nan 4.420 nan 0.000 0.245 141 P C 0.381 177.676 177.300 -0.009 0.000 1.206 141 P CA 0.211 63.306 63.100 -0.008 0.000 0.781 141 P CB 0.122 31.819 31.700 -0.006 0.000 0.994 142 S N 0.211 115.906 115.700 -0.008 0.000 2.626 142 S HA 0.106 4.577 4.470 0.001 0.000 0.257 142 S C 1.055 175.647 174.600 -0.013 0.000 1.288 142 S CA -0.231 57.964 58.200 -0.009 0.000 0.980 142 S CB 0.548 63.742 63.200 -0.009 0.000 0.975 142 S HN -0.080 nan 8.310 nan 0.000 0.577 143 E N -0.278 119.914 120.200 -0.013 0.000 2.479 143 E HA 0.181 4.531 4.350 0.001 0.000 0.193 143 E C 0.283 176.872 176.600 -0.019 0.000 1.049 143 E CA 0.165 56.554 56.400 -0.018 0.000 0.870 143 E CB 0.397 30.087 29.700 -0.016 0.000 0.944 143 E HN 0.584 nan 8.360 nan 0.000 0.492 144 V N -0.630 119.275 119.914 -0.016 0.000 2.876 144 V HA 0.679 4.800 4.120 0.001 0.000 0.312 144 V C -0.977 175.099 176.094 -0.030 0.000 1.085 144 V CA -1.058 61.233 62.300 -0.015 0.000 0.945 144 V CB 2.362 34.181 31.823 -0.007 0.000 1.017 144 V HN -0.034 nan 8.190 nan 0.000 0.428 145 D N -0.079 120.303 120.400 -0.030 0.000 2.825 145 D HA 0.348 4.989 4.640 0.001 0.000 0.327 145 D C 0.535 176.806 176.300 -0.048 0.000 1.277 145 D CA -0.495 53.466 54.000 -0.065 0.000 0.950 145 D CB 0.442 41.237 40.800 -0.008 0.000 1.438 145 D HN 0.407 nan 8.370 nan 0.000 0.526 146 H N -0.674 118.445 119.070 0.081 0.000 2.491 146 H HA 0.130 4.686 4.556 0.001 0.000 0.290 146 H C 1.654 177.017 175.328 0.058 0.000 1.050 146 H CA 1.529 57.623 56.048 0.076 0.000 1.309 146 H CB -0.046 29.741 29.762 0.043 0.000 1.392 146 H HN 0.538 nan 8.280 nan 0.000 0.554 147 A N 0.686 123.596 122.820 0.150 0.000 1.872 147 A HA -0.143 4.177 4.320 0.001 0.000 0.214 147 A C 2.708 180.399 177.584 0.178 0.000 1.187 147 A CA 2.061 54.181 52.037 0.139 0.000 0.614 147 A CB -0.812 18.247 19.000 0.099 0.000 0.826 147 A HN 0.533 nan 8.150 nan 0.000 0.442 148 T N -2.394 112.232 114.554 0.119 0.000 2.857 148 T HA -0.125 4.226 4.350 0.001 0.000 0.266 148 T C 1.346 176.152 174.700 0.178 0.000 1.048 148 T CA 1.588 63.758 62.100 0.116 0.000 1.139 148 T CB -0.459 68.424 68.868 0.025 0.000 0.874 148 T HN 0.284 nan 8.240 nan 0.000 0.455 149 D N 1.948 122.435 120.400 0.147 0.000 2.144 149 D HA 0.099 4.739 4.640 0.001 0.000 0.199 149 D C 2.426 178.831 176.300 0.175 0.000 0.984 149 D CA 1.407 55.497 54.000 0.150 0.000 0.834 149 D CB -0.609 40.276 40.800 0.143 0.000 0.955 149 D HN 0.583 nan 8.370 nan 0.000 0.465 150 A N 0.446 123.382 122.820 0.192 0.000 1.929 150 A HA -0.144 4.176 4.320 0.001 0.000 0.216 150 A C 2.088 179.782 177.584 0.184 0.000 1.176 150 A CA 0.850 52.980 52.037 0.155 0.000 0.628 150 A CB -0.957 18.122 19.000 0.131 0.000 0.816 150 A HN 0.393 nan 8.150 nan 0.000 0.444 151 W N 1.497 122.850 121.300 0.088 0.000 2.379 151 W HA -0.139 4.521 4.660 0.001 0.000 0.307 151 W C 0.847 177.455 176.519 0.149 0.000 1.200 151 W CA 2.011 59.444 57.345 0.147 0.000 1.297 151 W CB -0.434 29.110 29.460 0.140 0.000 1.140 151 W HN 0.412 nan 8.180 nan 0.000 0.507 152 D N -0.362 120.315 120.400 0.460 0.000 2.178 152 D HA -0.133 4.507 4.640 0.001 0.000 0.202 152 D C 2.133 178.560 176.300 0.211 0.000 0.974 152 D CA 1.934 56.140 54.000 0.343 0.000 0.841 152 D CB -0.649 40.297 40.800 0.243 0.000 0.953 152 D HN 0.098 nan 8.370 nan 0.000 0.478 153 T N 0.867 115.503 114.554 0.137 0.000 2.737 153 T HA -0.012 4.339 4.350 0.001 0.000 0.265 153 T C 2.218 176.945 174.700 0.045 0.000 1.038 153 T CA 0.453 62.600 62.100 0.079 0.000 1.144 153 T CB -0.076 68.817 68.868 0.042 0.000 0.866 153 T HN 0.134 nan 8.240 nan 0.000 0.434 154 I N 0.979 121.492 120.570 -0.095 0.000 2.315 154 I HA -0.138 4.033 4.170 0.001 0.000 0.248 154 I C 2.391 178.249 176.117 -0.433 0.000 1.117 154 I CA 1.240 62.359 61.300 -0.302 0.000 1.404 154 I CB -0.288 37.419 38.000 -0.488 0.000 1.071 154 I HN 0.205 nan 8.210 nan 0.000 0.419 155 D N 0.017 120.171 120.400 -0.410 0.000 2.117 155 D HA -0.267 4.374 4.640 0.001 0.000 0.197 155 D C 1.966 178.267 176.300 0.002 0.000 0.987 155 D CA 1.313 55.205 54.000 -0.180 0.000 0.829 155 D CB -0.125 40.782 40.800 0.179 0.000 0.961 155 D HN 0.359 nan 8.370 nan 0.000 0.460 156 W N 0.557 121.817 121.300 -0.067 0.000 2.379 156 W HA -0.068 4.592 4.660 0.001 0.000 0.307 156 W C 1.907 178.390 176.519 -0.060 0.000 1.200 156 W CA 1.081 58.407 57.345 -0.032 0.000 1.297 156 W CB -0.256 29.201 29.460 -0.005 0.000 1.140 156 W HN -0.006 nan 8.180 nan 0.000 0.507 157 L N 0.291 121.685 121.223 0.284 0.000 2.042 157 L HA -0.251 4.090 4.340 0.001 0.000 0.210 157 L C 2.503 179.315 176.870 -0.096 0.000 1.076 157 L CA 1.729 56.659 54.840 0.150 0.000 0.749 157 L CB -1.444 40.680 42.059 0.108 0.000 0.893 157 L HN 0.088 nan 8.230 nan 0.000 0.432 158 V N -3.332 116.498 119.914 -0.140 0.000 2.809 158 V HA -0.158 3.962 4.120 0.001 0.000 0.256 158 V C 2.016 178.006 176.094 -0.173 0.000 1.080 158 V CA 1.364 63.572 62.300 -0.152 0.000 1.102 158 V CB -0.581 31.150 31.823 -0.154 0.000 0.705 158 V HN 0.387 nan 8.190 nan 0.000 0.475 159 K N 0.354 120.613 120.400 -0.236 0.000 2.356 159 K HA 0.201 4.521 4.320 0.001 0.000 0.195 159 K C 1.071 177.435 176.600 -0.394 0.000 1.037 159 K CA 0.992 57.119 56.287 -0.265 0.000 1.014 159 K CB 0.072 32.428 32.500 -0.239 0.000 0.815 159 K HN 0.560 nan 8.250 nan 0.000 0.507 160 N N -0.514 117.834 118.700 -0.586 0.000 2.166 160 N HA 0.041 4.782 4.740 0.001 0.000 0.213 160 N C -1.012 174.257 175.510 -0.401 0.000 1.222 160 N CA -0.037 52.586 53.050 -0.711 0.000 0.900 160 N CB 1.551 39.036 38.487 -1.670 0.000 1.055 160 N HN -0.203 nan 8.380 nan 0.000 0.515 161 V N 2.016 121.779 119.914 -0.252 0.000 2.277 161 V HA 0.116 4.237 4.120 0.001 0.000 0.269 161 V C 1.099 177.136 176.094 -0.095 0.000 1.036 161 V CA -0.267 61.969 62.300 -0.106 0.000 0.821 161 V CB 0.746 32.548 31.823 -0.035 0.000 1.052 161 V HN 0.291 nan 8.190 nan 0.000 0.462 162 S N 2.735 118.385 115.700 -0.083 0.000 2.442 162 S HA -0.176 4.294 4.470 0.001 0.000 0.236 162 S C 1.299 175.868 174.600 -0.052 0.000 1.007 162 S CA 1.112 59.270 58.200 -0.070 0.000 0.965 162 S CB -0.146 63.020 63.200 -0.058 0.000 0.773 162 S HN 0.738 nan 8.310 nan 0.000 0.504 163 E N 1.461 121.638 120.200 -0.039 0.000 2.482 163 E HA 0.234 4.585 4.350 0.001 0.000 0.196 163 E C 0.729 177.304 176.600 -0.042 0.000 1.047 163 E CA 0.112 56.493 56.400 -0.032 0.000 0.869 163 E CB 0.093 29.786 29.700 -0.013 0.000 0.836 163 E HN 0.440 nan 8.360 nan 0.000 0.520 164 S N 0.879 116.548 115.700 -0.052 0.000 2.646 164 S HA 0.148 4.618 4.470 0.001 0.000 0.276 164 S C 0.652 175.209 174.600 -0.072 0.000 1.222 164 S CA -0.740 57.422 58.200 -0.063 0.000 1.014 164 S CB 0.520 63.681 63.200 -0.064 0.000 0.991 164 S HN 0.276 nan 8.310 nan 0.000 0.533 165 N N 1.396 120.048 118.700 -0.081 0.000 2.270 165 N HA 0.177 4.918 4.740 0.001 0.000 0.198 165 N C 0.964 176.426 175.510 -0.080 0.000 1.117 165 N CA 0.647 53.649 53.050 -0.080 0.000 0.845 165 N CB -0.210 38.224 38.487 -0.087 0.000 0.980 165 N HN 0.945 nan 8.380 nan 0.000 0.486 166 G N -0.056 108.693 108.800 -0.086 0.000 2.162 166 G HA2 -0.311 3.650 3.960 0.001 0.000 0.260 166 G HA3 -0.311 3.650 3.960 0.001 0.000 0.260 166 G C -0.402 174.439 174.900 -0.099 0.000 0.976 166 G CA 0.324 45.369 45.100 -0.091 0.000 0.655 166 G HN 0.497 nan 8.290 nan 0.000 0.533 167 K N -0.056 120.283 120.400 -0.102 0.000 2.206 167 K HA 0.666 4.987 4.320 0.001 0.000 0.264 167 K C -0.418 176.104 176.600 -0.129 0.000 0.967 167 K CA -0.776 55.443 56.287 -0.113 0.000 0.844 167 K CB 2.837 35.274 32.500 -0.104 0.000 1.099 167 K HN 0.047 nan 8.250 nan 0.000 0.441 168 V N 1.548 121.366 119.914 -0.160 0.000 2.735 168 V HA 0.615 4.736 4.120 0.001 0.000 0.310 168 V C 0.245 176.189 176.094 -0.250 0.000 1.061 168 V CA -0.771 61.422 62.300 -0.179 0.000 0.913 168 V CB 1.959 33.673 31.823 -0.182 0.000 1.005 168 V HN 0.982 nan 8.190 nan 0.000 0.428 172 G N 2.441 111.291 108.800 0.083 0.000 2.376 172 G HA2 0.415 4.375 3.960 0.001 0.000 0.302 172 G HA3 0.415 4.375 3.960 0.001 0.000 0.302 172 G C -2.099 172.889 174.900 0.146 0.000 1.586 172 G CA -0.018 45.154 45.100 0.121 0.000 0.907 172 G HN 0.636 nan 8.290 nan 0.000 0.655 173 S N 0.189 115.989 115.700 0.166 0.000 2.509 173 S HA 0.817 5.288 4.470 0.001 0.000 0.297 173 S C 0.978 175.725 174.600 0.245 0.000 1.118 173 S CA 1.216 59.498 58.200 0.136 0.000 1.074 173 S CB 1.347 64.557 63.200 0.017 0.000 1.038 173 S HN 2.369 nan 8.310 nan 0.000 0.498 174 S N 2.644 118.508 115.700 0.274 0.000 4.141 174 S HA -0.310 4.160 4.470 0.001 0.000 0.622 174 S C 0.825 175.683 174.600 0.430 0.000 1.894 174 S CA 1.383 59.837 58.200 0.424 0.000 4.238 174 S CB -1.884 61.667 63.200 0.585 0.000 0.205 174 S HN 1.043 nan 8.310 nan 0.000 0.486 175 Y N 2.667 123.202 120.300 0.391 0.000 2.224 175 Y HA 0.016 4.566 4.550 0.001 0.000 0.289 175 Y C 2.450 178.556 175.900 0.343 0.000 1.146 175 Y CA 2.521 60.823 58.100 0.337 0.000 1.182 175 Y CB -0.355 38.277 38.460 0.288 0.000 0.983 175 Y HN 0.596 nan 8.280 nan 0.000 0.524 176 E N -1.371 119.155 120.200 0.543 0.000 2.268 176 E HA -0.110 4.241 4.350 0.001 0.000 0.195 176 E C 2.281 179.042 176.600 0.268 0.000 0.995 176 E CA 0.705 57.330 56.400 0.374 0.000 0.836 176 E CB -0.272 29.636 29.700 0.347 0.000 0.763 176 E HN 0.586 nan 8.360 nan 0.000 0.491 177 G N 0.748 109.720 108.800 0.287 0.000 2.453 177 G HA2 -0.211 3.750 3.960 0.001 0.000 0.215 177 G HA3 -0.211 3.750 3.960 0.001 0.000 0.215 177 G C 1.307 176.346 174.900 0.233 0.000 1.147 177 G CA -0.032 45.204 45.100 0.227 0.000 0.802 177 G HN 0.279 nan 8.290 nan 0.000 0.535 178 F N 3.116 123.135 119.950 0.115 0.000 2.171 178 F HA -0.151 4.377 4.527 0.001 0.000 0.300 178 F C 2.817 178.626 175.800 0.014 0.000 1.090 178 F CA 2.297 60.324 58.000 0.044 0.000 1.293 178 F CB -0.477 38.454 39.000 -0.116 0.000 1.013 178 F HN 0.175 nan 8.300 nan 0.000 0.486 179 T N -2.033 112.489 114.554 -0.055 0.000 2.915 179 T HA -0.106 4.244 4.350 0.001 0.000 0.269 179 T C 1.948 176.579 174.700 -0.114 0.000 1.071 179 T CA 1.272 63.259 62.100 -0.187 0.000 1.132 179 T CB -1.176 67.696 68.868 0.007 0.000 0.878 179 T HN 0.191 nan 8.240 nan 0.000 0.479 180 V N 1.420 121.312 119.914 -0.037 0.000 2.307 180 V HA -0.026 4.094 4.120 0.001 0.000 0.245 180 V C 2.009 178.074 176.094 -0.047 0.000 1.045 180 V CA 0.666 62.947 62.300 -0.030 0.000 1.024 180 V CB -0.687 31.129 31.823 -0.011 0.000 0.651 180 V HN 0.392 nan 8.190 nan 0.000 0.449 184 L N 1.774 123.025 121.223 0.048 0.000 2.275 184 L HA -0.100 4.240 4.340 0.001 0.000 0.215 184 L C 2.800 179.728 176.870 0.097 0.000 1.119 184 L CA 1.901 56.780 54.840 0.066 0.000 0.790 184 L CB -0.485 41.614 42.059 0.067 0.000 0.919 184 L HN 0.734 nan 8.230 nan 0.000 0.443 185 T N -3.361 111.250 114.554 0.095 0.000 2.833 185 T HA -0.156 4.195 4.350 0.001 0.000 0.269 185 T C 0.990 175.750 174.700 0.099 0.000 1.054 185 T CA 1.140 63.296 62.100 0.094 0.000 1.135 185 T CB -0.138 68.776 68.868 0.076 0.000 0.869 185 T HN 0.228 nan 8.240 nan 0.000 0.466 186 N N 1.555 120.334 118.700 0.131 0.000 2.946 186 N HA 0.306 5.047 4.740 0.001 0.000 0.213 186 N C -3.308 172.396 175.510 0.323 0.000 1.440 186 N CA -1.465 51.694 53.050 0.181 0.000 0.745 186 N CB 1.445 40.002 38.487 0.117 0.000 1.471 186 N HN 0.149 nan 8.380 nan 0.000 0.569 187 P HA 0.155 nan 4.420 nan 0.000 0.282 187 P C -0.393 176.955 177.300 0.081 0.000 1.249 187 P CA -0.109 63.099 63.100 0.181 0.000 0.806 187 P CB 0.810 32.547 31.700 0.060 0.000 0.984 188 H N 3.991 122.848 119.070 -0.355 0.000 2.815 188 H HA 0.067 4.624 4.556 0.001 0.000 0.350 188 H C -1.430 173.577 175.328 -0.535 0.000 1.080 188 H CA -1.117 54.289 56.048 -1.070 0.000 1.433 188 H CB 0.611 29.754 29.762 -1.032 0.000 1.432 188 H HN 0.196 nan 8.280 nan 0.000 0.592 189 P HA -0.126 nan 4.420 nan 0.000 0.218 189 P C 0.907 178.172 177.300 -0.059 0.000 1.146 189 P CA 1.862 64.829 63.100 -0.221 0.000 0.813 189 P CB 0.033 31.579 31.700 -0.256 0.000 0.778 190 A N -1.092 121.807 122.820 0.132 0.000 2.119 190 A HA -0.033 4.288 4.320 0.001 0.000 0.217 190 A C 1.082 178.601 177.584 -0.108 0.000 1.153 190 A CA 0.189 52.218 52.037 -0.014 0.000 0.692 190 A CB -1.134 17.806 19.000 -0.100 0.000 0.799 190 A HN 0.177 nan 8.150 nan 0.000 0.458 191 L N 0.743 121.899 121.223 -0.113 0.000 2.515 191 L HA 0.184 4.525 4.340 0.001 0.000 0.281 191 L C 0.665 177.431 176.870 -0.175 0.000 1.131 191 L CA 0.205 54.952 54.840 -0.154 0.000 0.905 191 L CB 0.254 42.238 42.059 -0.125 0.000 1.246 191 L HN 0.017 nan 8.230 nan 0.000 0.463 192 K N 3.884 124.150 120.400 -0.223 0.000 2.352 192 K HA 0.322 4.643 4.320 0.001 0.000 0.194 192 K C -0.250 176.094 176.600 -0.427 0.000 1.038 192 K CA 0.290 56.418 56.287 -0.264 0.000 1.023 192 K CB 0.469 32.856 32.500 -0.188 0.000 0.840 192 K HN 0.397 nan 8.250 nan 0.000 0.519 193 V N -0.514 119.142 119.914 -0.430 0.000 3.098 193 V HA 0.679 4.800 4.120 0.001 0.000 0.294 193 V C -2.102 173.812 176.094 -0.301 0.000 1.351 193 V CA -0.773 61.235 62.300 -0.487 0.000 0.999 193 V CB 2.155 33.545 31.823 -0.722 0.000 1.104 193 V HN 0.134 nan 8.190 nan 0.000 0.438 194 A N 4.291 127.058 122.820 -0.088 0.000 2.455 194 A HA 0.868 5.189 4.320 0.001 0.000 0.300 194 A C -1.546 176.115 177.584 0.129 0.000 1.040 194 A CA -0.433 51.609 52.037 0.007 0.000 0.697 194 A CB 2.287 21.235 19.000 -0.088 0.000 1.265 194 A HN 1.366 nan 8.150 nan 0.000 0.407 195 V N 3.581 123.591 119.914 0.160 0.000 2.380 195 V HA 0.317 4.437 4.120 0.001 0.000 0.268 195 V C -2.698 173.422 176.094 0.043 0.000 1.008 195 V CA -1.284 61.097 62.300 0.135 0.000 0.823 195 V CB 1.253 33.236 31.823 0.267 0.000 1.053 195 V HN 0.725 nan 8.190 nan 0.000 0.446 196 P HA 0.304 nan 4.420 nan 0.000 0.275 196 P C -0.296 177.079 177.300 0.126 0.000 1.276 196 P CA 0.101 63.206 63.100 0.009 0.000 0.782 196 P CB 0.493 32.132 31.700 -0.102 0.000 0.851 197 E N 1.549 121.832 120.200 0.138 0.000 2.175 197 E HA 0.243 4.594 4.350 0.001 0.000 0.278 197 E C 0.068 176.769 176.600 0.168 0.000 0.969 197 E CA -0.731 55.745 56.400 0.128 0.000 0.796 197 E CB 0.531 30.266 29.700 0.058 0.000 1.104 197 E HN 0.235 nan 8.360 nan 0.000 0.395 198 S N 2.364 118.177 115.700 0.190 0.000 3.348 198 S HA -0.142 4.329 4.470 0.001 0.000 0.366 198 S C -1.978 172.803 174.600 0.303 0.000 0.953 198 S CA 0.252 58.598 58.200 0.243 0.000 1.255 198 S CB -1.546 61.776 63.200 0.204 0.000 0.906 198 S HN 0.507 nan 8.310 nan 0.000 0.495 202 D N 1.815 122.269 120.400 0.091 0.000 2.346 202 D HA 0.491 5.132 4.640 0.001 0.000 0.255 202 D C 0.991 177.200 176.300 -0.151 0.000 1.276 202 D CA 0.155 54.130 54.000 -0.041 0.000 0.941 202 D CB 1.457 42.067 40.800 -0.315 0.000 1.199 202 D HN 0.289 nan 8.370 nan 0.000 0.537 203 G N 2.066 110.878 108.800 0.020 0.000 2.776 203 G HA2 -0.096 3.864 3.960 0.001 0.000 0.209 203 G HA3 -0.096 3.864 3.960 0.001 0.000 0.209 203 G C 0.414 175.264 174.900 -0.083 0.000 1.145 203 G CA 0.004 45.041 45.100 -0.104 0.000 0.791 203 G HN 0.403 nan 8.290 nan 0.000 0.530 207 D N 0.337 120.603 120.400 -0.223 0.000 2.976 207 D HA 0.161 4.801 4.640 0.001 0.000 0.239 207 D C 1.036 177.164 176.300 -0.288 0.000 1.198 207 D CA -0.153 53.748 54.000 -0.164 0.000 1.171 207 D CB 0.531 41.247 40.800 -0.139 0.000 1.012 207 D HN -0.087 nan 8.370 nan 0.000 0.318 208 D N -0.315 119.770 120.400 -0.525 0.000 2.110 208 D HA -0.049 4.592 4.640 0.001 0.000 0.202 208 D C 2.316 178.298 176.300 -0.530 0.000 0.975 208 D CA 0.819 54.378 54.000 -0.735 0.000 0.839 208 D CB -0.062 39.890 40.800 -1.414 0.000 0.996 208 D HN 0.381 nan 8.370 nan 0.000 0.464 209 W N 0.166 121.432 121.300 -0.057 0.000 2.407 209 W HA 0.024 4.684 4.660 0.001 0.000 0.305 209 W C 0.665 176.861 176.519 -0.538 0.000 1.196 209 W CA -0.291 56.968 57.345 -0.145 0.000 1.311 209 W CB -0.128 29.447 29.460 0.190 0.000 1.135 209 W HN -0.173 nan 8.180 nan 0.000 0.514 210 F N -0.638 119.215 119.950 -0.162 0.000 2.650 210 F HA 0.365 4.892 4.527 0.001 0.000 0.320 210 F C -0.389 175.157 175.800 -0.424 0.000 1.091 210 F CA -1.553 56.232 58.000 -0.359 0.000 0.962 210 F CB 0.975 39.480 39.000 -0.826 0.000 1.363 210 F HN -0.357 nan 8.300 nan 0.000 0.482 211 N N 0.686 119.291 118.700 -0.158 0.000 2.504 211 N HA 0.246 4.986 4.740 0.001 0.000 0.280 211 N C -1.600 173.689 175.510 -0.368 0.000 1.052 211 N CA -0.609 52.284 53.050 -0.262 0.000 0.887 211 N CB 1.010 39.496 38.487 -0.003 0.000 1.323 211 N HN 0.620 nan 8.380 nan 0.000 0.509 212 Y N 1.158 121.133 120.300 -0.542 0.000 3.305 212 Y HA -0.280 4.270 4.550 0.001 0.000 0.212 212 Y C 1.434 176.813 175.900 -0.868 0.000 1.248 212 Y CA 1.395 59.128 58.100 -0.612 0.000 1.359 212 Y CB -1.883 36.382 38.460 -0.324 0.000 1.407 212 Y HN 0.960 nan 8.280 nan 0.000 0.572 213 G N -2.020 105.904 108.800 -1.461 0.000 2.205 213 G HA2 -0.062 3.899 3.960 0.001 0.000 0.261 213 G HA3 -0.062 3.899 3.960 0.001 0.000 0.261 213 G C 0.384 175.124 174.900 -0.265 0.000 0.980 213 G CA -0.008 44.308 45.100 -1.307 0.000 0.632 213 G HN 1.596 nan 8.290 nan 0.000 0.533 214 A N 0.294 123.018 122.820 -0.160 0.000 2.309 214 A HA 0.647 4.968 4.320 0.001 0.000 0.290 214 A C -0.066 177.662 177.584 0.240 0.000 1.206 214 A CA -0.366 51.698 52.037 0.045 0.000 0.850 214 A CB 0.220 19.123 19.000 -0.162 0.000 1.118 214 A HN 1.278 nan 8.150 nan 0.000 0.523 215 F N 2.950 122.920 119.950 0.032 0.000 2.495 215 F HA 0.359 4.887 4.527 0.001 0.000 0.365 215 F C 0.742 176.373 175.800 -0.282 0.000 1.090 215 F CA -0.128 57.708 58.000 -0.273 0.000 1.235 215 F CB 0.624 39.405 39.000 -0.364 0.000 1.119 215 F HN 0.566 nan 8.300 nan 0.000 0.562 216 R N 5.999 125.666 120.500 -1.387 0.000 2.204 216 R HA 0.137 4.477 4.340 0.001 0.000 0.341 216 R C 0.872 176.178 176.300 -1.658 0.000 1.035 216 R CA -0.225 55.065 56.100 -1.350 0.000 0.887 216 R CB 0.685 30.412 30.300 -0.955 0.000 1.114 216 R HN 0.776 nan 8.270 nan 0.000 0.473 217 Q N 1.269 120.286 119.800 -1.305 0.000 2.436 217 Q HA -0.094 4.246 4.340 0.001 0.000 0.209 217 Q C 1.744 177.151 176.000 -0.988 0.000 0.965 217 Q CA 0.582 55.744 55.803 -1.068 0.000 0.910 217 Q CB 0.245 28.466 28.738 -0.862 0.000 0.980 217 Q HN 0.469 nan 8.270 nan 0.000 0.491 218 V N 1.864 121.016 119.914 -1.269 0.000 2.594 218 V HA -0.214 3.906 4.120 0.001 0.000 0.253 218 V C 1.234 176.673 176.094 -1.092 0.000 1.069 218 V CA 1.547 62.824 62.300 -1.704 0.000 1.082 218 V CB -0.246 30.386 31.823 -1.984 0.000 0.680 218 V HN 0.416 nan 8.190 nan 0.000 0.469 219 N N -0.554 117.601 118.700 -0.908 0.000 2.461 219 N HA -0.005 4.735 4.740 0.001 0.000 0.188 219 N C 1.343 176.224 175.510 -1.047 0.000 1.134 219 N CA 0.601 53.197 53.050 -0.758 0.000 0.878 219 N CB -0.174 38.035 38.487 -0.464 0.000 0.972 219 N HN 0.466 nan 8.380 nan 0.000 0.456 220 F N 1.943 121.510 119.950 -0.638 0.000 2.126 220 F HA -0.142 4.386 4.527 0.001 0.000 0.299 220 F C 2.043 177.718 175.800 -0.209 0.000 1.096 220 F CA 0.984 58.776 58.000 -0.346 0.000 1.255 220 F CB -0.299 38.763 39.000 0.102 0.000 0.997 220 F HN 0.038 nan 8.300 nan 0.000 0.479 221 D N -1.625 118.785 120.400 0.016 0.000 2.178 221 D HA -0.221 4.419 4.640 0.001 0.000 0.202 221 D C 2.059 178.385 176.300 0.044 0.000 0.974 221 D CA 0.978 55.004 54.000 0.044 0.000 0.841 221 D CB -0.540 40.264 40.800 0.007 0.000 0.953 221 D HN 0.337 nan 8.370 nan 0.000 0.478 222 Y N 0.783 120.987 120.300 -0.161 0.000 2.242 222 Y HA -0.230 4.321 4.550 0.001 0.000 0.291 222 Y C 1.880 177.890 175.900 0.183 0.000 1.137 222 Y CA 1.243 59.335 58.100 -0.014 0.000 1.181 222 Y CB -0.223 38.227 38.460 -0.017 0.000 0.989 222 Y HN -0.195 nan 8.280 nan 0.000 0.527 223 F N -0.147 119.975 119.950 0.285 0.000 2.102 223 F HA -0.188 4.339 4.527 0.001 0.000 0.298 223 F C 2.763 178.621 175.800 0.097 0.000 1.105 223 F CA 1.684 59.817 58.000 0.222 0.000 1.239 223 F CB -1.764 37.449 39.000 0.356 0.000 0.991 223 F HN 0.125 nan 8.300 nan 0.000 0.474 224 T N -2.567 112.144 114.554 0.262 0.000 2.951 224 T HA 0.052 4.402 4.350 0.001 0.000 0.268 224 T C 2.331 177.058 174.700 0.044 0.000 1.073 224 T CA 0.993 63.171 62.100 0.131 0.000 1.134 224 T CB -1.048 67.880 68.868 0.099 0.000 0.884 224 T HN 0.268 nan 8.240 nan 0.000 0.479 225 G N 0.611 109.417 108.800 0.010 0.000 2.408 225 G HA2 -0.089 3.872 3.960 0.001 0.000 0.217 225 G HA3 -0.089 3.872 3.960 0.001 0.000 0.217 225 G C 1.714 176.547 174.900 -0.111 0.000 1.150 225 G CA 0.319 45.392 45.100 -0.045 0.000 0.776 225 G HN 0.425 nan 8.290 nan 0.000 0.542 226 Q N -0.752 118.931 119.800 -0.195 0.000 2.350 226 Q HA 0.315 4.656 4.340 0.001 0.000 0.225 226 Q C 2.048 177.942 176.000 -0.177 0.000 0.878 226 Q CA 0.207 55.854 55.803 -0.259 0.000 0.935 226 Q CB 0.834 29.286 28.738 -0.475 0.000 1.099 226 Q HN 0.510 nan 8.270 nan 0.000 0.527 227 L N -0.745 120.454 121.223 -0.039 0.000 2.858 227 L HA 0.247 4.588 4.340 0.001 0.000 0.251 227 L C 1.769 178.658 176.870 0.031 0.000 1.149 227 L CA 0.032 54.896 54.840 0.041 0.000 0.955 227 L CB 0.378 42.525 42.059 0.147 0.000 1.289 227 L HN -0.093 nan 8.230 nan 0.000 0.542 228 S N 0.300 116.000 115.700 -0.000 0.000 2.368 228 S HA 0.030 4.500 4.470 0.001 0.000 0.224 228 S C 0.667 175.247 174.600 -0.033 0.000 1.029 228 S CA 1.204 59.404 58.200 -0.001 0.000 0.988 228 S CB 0.089 63.285 63.200 -0.008 0.000 0.838 228 S HN 0.371 nan 8.310 nan 0.000 0.462 229 K N -0.820 119.528 120.400 -0.087 0.000 2.495 229 K HA 0.405 4.725 4.320 0.001 0.000 0.268 229 K C 0.438 176.914 176.600 -0.206 0.000 1.008 229 K CA -0.859 55.357 56.287 -0.118 0.000 0.882 229 K CB 1.194 33.622 32.500 -0.120 0.000 1.443 229 K HN -0.187 nan 8.250 nan 0.000 0.447 230 R N 0.563 120.940 120.500 -0.205 0.000 2.091 230 R HA -0.096 4.245 4.340 0.001 0.000 0.238 230 R C 1.061 177.033 176.300 -0.547 0.000 1.136 230 R CA 2.160 58.095 56.100 -0.276 0.000 0.959 230 R CB -0.348 29.846 30.300 -0.178 0.000 0.856 230 R HN 0.756 nan 8.270 nan 0.000 0.437 231 G N -0.041 108.413 108.800 -0.577 0.000 2.975 231 G HA2 0.060 4.021 3.960 0.001 0.000 0.159 231 G HA3 0.060 4.021 3.960 0.001 0.000 0.159 231 G C -0.979 173.437 174.900 -0.806 0.000 1.525 231 G CA -0.566 43.911 45.100 -1.037 0.000 1.075 231 G HN 0.141 nan 8.290 nan 0.000 0.574 232 K N 0.421 120.631 120.400 -0.317 0.000 2.368 232 K HA 0.383 4.703 4.320 0.001 0.000 0.282 232 K C 0.525 177.085 176.600 -0.067 0.000 1.035 232 K CA 0.227 56.498 56.287 -0.028 0.000 0.973 232 K CB 0.480 33.054 32.500 0.124 0.000 0.957 232 K HN 0.433 nan 8.250 nan 0.000 0.474 233 G N 1.869 110.642 108.800 -0.044 0.000 2.940 233 G HA2 0.747 4.708 3.960 0.001 0.000 0.164 233 G HA3 0.747 4.708 3.960 0.001 0.000 0.164 233 G C -1.268 173.629 174.900 -0.005 0.000 1.326 233 G CA -0.249 44.829 45.100 -0.037 0.000 1.020 233 G HN 0.768 nan 8.290 nan 0.000 0.586 234 A N -2.475 120.346 122.820 0.002 0.000 2.602 234 A HA 0.813 5.134 4.320 0.001 0.000 0.290 234 A C 0.160 177.758 177.584 0.023 0.000 1.114 234 A CA 0.143 52.188 52.037 0.013 0.000 0.683 234 A CB 0.786 19.791 19.000 0.009 0.000 1.281 234 A HN 1.616 nan 8.150 nan 0.000 0.416 235 G N -0.850 107.968 108.800 0.030 0.000 2.535 235 G HA2 0.524 4.485 3.960 0.001 0.000 0.282 235 G HA3 0.524 4.485 3.960 0.001 0.000 0.282 235 G C -0.376 174.548 174.900 0.040 0.000 1.350 235 G CA -0.569 44.558 45.100 0.044 0.000 1.039 235 G HN 0.683 nan 8.290 nan 0.000 0.509 236 I N 0.867 121.470 120.570 0.056 0.000 2.359 236 I HA 0.400 4.571 4.170 0.001 0.000 0.294 236 I C 0.848 176.967 176.117 0.003 0.000 0.987 236 I CA -0.542 60.769 61.300 0.018 0.000 1.225 236 I CB 1.733 39.756 38.000 0.038 0.000 1.366 236 I HN 0.492 nan 8.210 nan 0.000 0.466 237 A N 7.457 130.253 122.820 -0.041 0.000 2.492 237 A HA 0.374 4.695 4.320 0.001 0.000 0.254 237 A C 0.087 177.633 177.584 -0.063 0.000 1.091 237 A CA -0.232 51.781 52.037 -0.040 0.000 0.768 237 A CB 0.059 19.027 19.000 -0.053 0.000 1.028 237 A HN 0.591 nan 8.150 nan 0.000 0.498 238 R N 1.559 122.045 120.500 -0.023 0.000 2.573 238 R HA 0.289 4.629 4.340 0.001 0.000 0.272 238 R C 0.668 176.948 176.300 -0.033 0.000 1.009 238 R CA -0.764 55.322 56.100 -0.023 0.000 1.059 238 R CB 0.710 31.023 30.300 0.022 0.000 1.112 238 R HN 0.821 nan 8.270 nan 0.000 0.517 239 Q N -0.066 119.709 119.800 -0.041 0.000 2.187 239 Q HA 0.130 4.470 4.340 0.001 0.000 0.199 239 Q C 0.766 176.766 176.000 -0.001 0.000 0.957 239 Q CA 0.970 56.754 55.803 -0.032 0.000 0.857 239 Q CB 0.401 29.116 28.738 -0.038 0.000 0.929 239 Q HN 0.772 nan 8.270 nan 0.000 0.453 240 G N -1.794 107.016 108.800 0.017 0.000 2.749 240 G HA2 0.232 4.193 3.960 0.001 0.000 0.300 240 G HA3 0.232 4.193 3.960 0.001 0.000 0.300 240 G C -0.475 174.481 174.900 0.093 0.000 1.352 240 G CA -0.409 44.722 45.100 0.052 0.000 0.789 240 G HN 0.038 nan 8.290 nan 0.000 0.509 241 H N -0.534 118.533 119.070 -0.005 0.000 2.372 241 H HA 0.110 4.666 4.556 0.001 0.000 0.301 241 H C 0.221 175.541 175.328 -0.014 0.000 1.065 241 H CA 1.311 57.354 56.048 -0.008 0.000 1.364 241 H CB 0.345 30.101 29.762 -0.011 0.000 1.406 241 H HN 0.285 nan 8.280 nan 0.000 0.521 242 D N 0.205 120.570 120.400 -0.058 0.000 2.339 242 D HA 0.019 4.659 4.640 0.001 0.000 0.241 242 D C 0.283 176.554 176.300 -0.050 0.000 1.183 242 D CA -0.172 53.761 54.000 -0.111 0.000 0.859 242 D CB 0.542 41.338 40.800 -0.007 0.000 1.067 242 D HN 0.202 nan 8.370 nan 0.000 0.484 243 D N 2.484 122.807 120.400 -0.128 0.000 2.219 243 D HA -0.191 4.450 4.640 0.001 0.000 0.205 243 D C 1.400 177.736 176.300 0.061 0.000 0.970 243 D CA 0.673 54.629 54.000 -0.072 0.000 0.851 243 D CB -0.117 40.512 40.800 -0.284 0.000 0.943 243 D HN 0.585 nan 8.370 nan 0.000 0.488 244 Y N 1.510 121.767 120.300 -0.072 0.000 2.128 244 Y HA -0.265 4.285 4.550 0.001 0.000 0.284 244 Y C 2.394 178.434 175.900 0.233 0.000 1.154 244 Y CA 1.813 59.975 58.100 0.104 0.000 1.149 244 Y CB -0.142 38.374 38.460 0.092 0.000 0.976 244 Y HN -0.127 nan 8.280 nan 0.000 0.505 245 S N 0.394 116.293 115.700 0.331 0.000 2.371 245 S HA -0.156 4.314 4.470 0.001 0.000 0.224 245 S C 1.678 176.352 174.600 0.124 0.000 1.029 245 S CA 1.038 59.370 58.200 0.219 0.000 0.978 245 S CB -0.366 62.930 63.200 0.160 0.000 0.833 245 S HN 0.534 nan 8.310 nan 0.000 0.466 246 N N 1.211 119.948 118.700 0.062 0.000 2.069 246 N HA -0.044 4.696 4.740 0.001 0.000 0.191 246 N C 1.359 176.828 175.510 -0.068 0.000 1.031 246 N CA 1.308 54.334 53.050 -0.039 0.000 0.852 246 N CB -0.506 37.891 38.487 -0.150 0.000 1.018 246 N HN 0.366 nan 8.380 nan 0.000 0.423 247 F N 0.458 120.424 119.950 0.027 0.000 2.234 247 F HA 0.042 4.570 4.527 0.001 0.000 0.296 247 F C 2.129 178.050 175.800 0.201 0.000 1.089 247 F CA 0.096 58.122 58.000 0.043 0.000 1.343 247 F CB -0.488 38.391 39.000 -0.203 0.000 1.040 247 F HN -0.037 nan 8.300 nan 0.000 0.498 248 L N 0.291 121.744 121.223 0.383 0.000 2.046 248 L HA -0.208 4.132 4.340 0.001 0.000 0.208 248 L C 2.207 179.102 176.870 0.042 0.000 1.077 248 L CA 1.897 56.805 54.840 0.115 0.000 0.747 248 L CB -0.921 41.112 42.059 -0.044 0.000 0.896 248 L HN 0.156 nan 8.230 nan 0.000 0.432 249 Q N -1.174 118.667 119.800 0.068 0.000 2.119 249 Q HA -0.125 4.216 4.340 0.001 0.000 0.201 249 Q C 2.204 178.230 176.000 0.042 0.000 0.972 249 Q CA 1.460 57.286 55.803 0.038 0.000 0.847 249 Q CB -0.292 28.468 28.738 0.036 0.000 0.903 249 Q HN 0.658 nan 8.270 nan 0.000 0.433 250 A N 0.099 122.970 122.820 0.085 0.000 1.968 250 A HA 0.198 4.519 4.320 0.001 0.000 0.217 250 A C 1.362 179.015 177.584 0.115 0.000 1.169 250 A CA 1.507 53.607 52.037 0.105 0.000 0.638 250 A CB -0.468 18.651 19.000 0.199 0.000 0.812 250 A HN 0.492 nan 8.150 nan 0.000 0.446 251 G N -1.165 107.698 108.800 0.105 0.000 2.964 251 G HA2 -0.057 3.903 3.960 0.001 0.000 0.229 251 G HA3 -0.057 3.903 3.960 0.001 0.000 0.229 251 G C 0.575 175.562 174.900 0.146 0.000 1.395 251 G CA 0.595 45.723 45.100 0.047 0.000 1.060 251 G HN 1.659 nan 8.290 nan 0.000 0.568 252 S N 1.059 116.919 115.700 0.267 0.000 2.655 252 S HA 0.703 5.173 4.470 0.001 0.000 0.265 252 S C 1.790 176.651 174.600 0.435 0.000 1.240 252 S CA 0.737 59.166 58.200 0.382 0.000 0.986 252 S CB 1.439 64.883 63.200 0.406 0.000 0.985 252 S HN 2.229 nan 8.310 nan 0.000 0.562 253 A N 0.931 124.046 122.820 0.491 0.000 1.930 253 A HA 0.171 4.492 4.320 0.001 0.000 0.217 253 A C 2.158 180.151 177.584 0.682 0.000 1.175 253 A CA 1.549 53.996 52.037 0.684 0.000 0.627 253 A CB -1.774 17.683 19.000 0.761 0.000 0.815 253 A HN 1.134 nan 8.150 nan 0.000 0.443 254 G N -0.317 108.848 108.800 0.607 0.000 2.422 254 G HA2 -0.191 3.769 3.960 0.001 0.000 0.218 254 G HA3 -0.191 3.769 3.960 0.001 0.000 0.218 254 G C 1.114 176.281 174.900 0.446 0.000 1.140 254 G CA 1.145 46.625 45.100 0.633 0.000 0.775 254 G HN 0.449 nan 8.290 nan 0.000 0.545 255 D N 0.061 120.678 120.400 0.361 0.000 2.097 255 D HA -0.092 4.548 4.640 0.001 0.000 0.197 255 D C 1.953 178.328 176.300 0.125 0.000 0.984 255 D CA 0.475 54.610 54.000 0.225 0.000 0.826 255 D CB -0.403 40.521 40.800 0.208 0.000 0.973 255 D HN 0.301 nan 8.370 nan 0.000 0.460 256 F N 1.718 121.669 119.950 0.003 0.000 2.102 256 F HA -0.160 4.367 4.527 0.001 0.000 0.298 256 F C 2.209 177.787 175.800 -0.371 0.000 1.105 256 F CA 1.695 59.579 58.000 -0.192 0.000 1.239 256 F CB -0.167 38.720 39.000 -0.188 0.000 0.991 256 F HN -0.065 nan 8.300 nan 0.000 0.474 257 A N 0.106 122.772 122.820 -0.257 0.000 1.902 257 A HA -0.219 4.102 4.320 0.001 0.000 0.217 257 A C 2.283 179.656 177.584 -0.352 0.000 1.181 257 A CA 1.824 53.520 52.037 -0.568 0.000 0.623 257 A CB -0.850 17.612 19.000 -0.897 0.000 0.818 257 A HN 0.477 nan 8.150 nan 0.000 0.443 258 K N -0.301 120.034 120.400 -0.110 0.000 2.057 258 K HA -0.082 4.238 4.320 0.001 0.000 0.207 258 K C 2.085 178.609 176.600 -0.126 0.000 1.049 258 K CA 1.251 57.515 56.287 -0.037 0.000 0.931 258 K CB -0.320 32.222 32.500 0.070 0.000 0.714 258 K HN 0.359 nan 8.250 nan 0.000 0.440 259 A N 0.628 123.329 122.820 -0.199 0.000 2.015 259 A HA -0.014 4.307 4.320 0.001 0.000 0.219 259 A C 2.110 179.501 177.584 -0.322 0.000 1.163 259 A CA 1.590 53.481 52.037 -0.243 0.000 0.646 259 A CB -0.481 18.352 19.000 -0.278 0.000 0.806 259 A HN 0.451 nan 8.150 nan 0.000 0.448 260 A N -1.808 120.740 122.820 -0.453 0.000 2.238 260 A HA 0.414 4.735 4.320 0.001 0.000 0.208 260 A C 1.729 179.172 177.584 -0.236 0.000 1.177 260 A CA 1.157 52.941 52.037 -0.423 0.000 0.804 260 A CB -0.832 17.808 19.000 -0.600 0.000 0.823 260 A HN 1.842 nan 8.150 nan 0.000 0.482 261 G N -0.857 107.834 108.800 -0.182 0.000 2.136 261 G HA2 -0.235 3.726 3.960 0.001 0.000 0.242 261 G HA3 -0.235 3.726 3.960 0.001 0.000 0.242 261 G C 0.648 175.514 174.900 -0.057 0.000 0.989 261 G CA 0.360 45.405 45.100 -0.091 0.000 0.682 261 G HN 0.453 nan 8.290 nan 0.000 0.522 262 L N -0.121 121.027 121.223 -0.126 0.000 2.551 262 L HA 0.080 4.421 4.340 0.001 0.000 0.228 262 L C 2.358 179.255 176.870 0.045 0.000 1.153 262 L CA 1.025 55.804 54.840 -0.102 0.000 0.851 262 L CB -0.302 41.534 42.059 -0.371 0.000 0.959 262 L HN 0.384 nan 8.230 nan 0.000 0.451 263 E N 0.250 120.507 120.200 0.094 0.000 2.472 263 E HA -0.183 4.167 4.350 0.001 0.000 0.200 263 E C 1.675 178.474 176.600 0.332 0.000 1.046 263 E CA 0.484 57.020 56.400 0.227 0.000 0.871 263 E CB 0.049 29.876 29.700 0.212 0.000 0.806 263 E HN 0.635 nan 8.360 nan 0.000 0.533 264 Q N 0.036 119.950 119.800 0.191 0.000 2.389 264 Q HA 0.062 4.402 4.340 0.001 0.000 0.204 264 Q C 0.349 176.460 176.000 0.184 0.000 0.944 264 Q CA 0.371 56.269 55.803 0.157 0.000 0.908 264 Q CB 0.276 29.068 28.738 0.091 0.000 1.002 264 Q HN 0.220 nan 8.270 nan 0.000 0.493 265 L N 1.778 123.140 121.223 0.232 0.000 2.257 265 L HA 0.202 4.543 4.340 0.001 0.000 0.290 265 L C -1.806 175.258 176.870 0.323 0.000 1.044 265 L CA -1.893 53.096 54.840 0.249 0.000 0.810 265 L CB 0.959 43.169 42.059 0.253 0.000 1.193 265 L HN -0.149 nan 8.230 nan 0.000 0.425 266 P HA -0.219 nan 4.420 nan 0.000 0.218 266 P C 1.358 178.779 177.300 0.201 0.000 1.148 266 P CA 1.246 64.478 63.100 0.219 0.000 0.822 266 P CB 0.082 31.867 31.700 0.141 0.000 0.784 267 W N -0.720 120.590 121.300 0.016 0.000 2.358 267 W HA -0.171 4.489 4.660 0.001 0.000 0.303 267 W C 1.925 178.351 176.519 -0.156 0.000 1.208 267 W CA 0.856 58.138 57.345 -0.106 0.000 1.274 267 W CB -0.837 28.510 29.460 -0.187 0.000 1.138 267 W HN 0.086 nan 8.180 nan 0.000 0.515 268 W N 0.932 122.064 121.300 -0.280 0.000 2.363 268 W HA -0.235 4.425 4.660 0.001 0.000 0.296 268 W C 2.217 178.451 176.519 -0.475 0.000 1.212 268 W CA 1.703 58.790 57.345 -0.431 0.000 1.260 268 W CB -0.792 28.532 29.460 -0.226 0.000 1.131 268 W HN -0.046 nan 8.180 nan 0.000 0.530 269 H N 0.524 119.376 119.070 -0.363 0.000 2.423 269 H HA -0.083 4.473 4.556 0.001 0.000 0.297 269 H C 2.058 177.062 175.328 -0.539 0.000 1.075 269 H CA 1.506 57.289 56.048 -0.441 0.000 1.342 269 H CB -0.019 29.616 29.762 -0.211 0.000 1.395 269 H HN 0.238 nan 8.280 nan 0.000 0.530 270 K N 0.447 120.571 120.400 -0.459 0.000 2.097 270 K HA -0.054 4.267 4.320 0.001 0.000 0.205 270 K C 2.370 178.560 176.600 -0.682 0.000 1.050 270 K CA 0.596 56.505 56.287 -0.629 0.000 0.938 270 K CB 0.065 32.114 32.500 -0.752 0.000 0.718 270 K HN 0.126 nan 8.250 nan 0.000 0.442 271 L N 0.675 121.406 121.223 -0.821 0.000 2.027 271 L HA -0.176 4.165 4.340 0.001 0.000 0.206 271 L C 2.694 179.186 176.870 -0.629 0.000 1.074 271 L CA 1.719 56.226 54.840 -0.555 0.000 0.745 271 L CB -0.868 40.732 42.059 -0.765 0.000 0.898 271 L HN 0.377 nan 8.230 nan 0.000 0.433 272 T N -3.950 109.886 114.554 -1.197 0.000 2.995 272 T HA -0.114 4.237 4.350 0.001 0.000 0.269 272 T C 1.508 175.962 174.700 -0.411 0.000 1.091 272 T CA 0.813 62.252 62.100 -1.102 0.000 1.128 272 T CB -0.147 67.968 68.868 -1.255 0.000 0.891 272 T HN 0.337 nan 8.240 nan 0.000 0.492 273 E N 0.361 120.301 120.200 -0.434 0.000 2.371 273 E HA 0.003 4.354 4.350 0.001 0.000 0.194 273 E C 0.280 176.492 176.600 -0.646 0.000 1.012 273 E CA 0.457 56.569 56.400 -0.480 0.000 0.860 273 E CB 0.170 29.507 29.700 -0.606 0.000 0.811 273 E HN 0.659 nan 8.360 nan 0.000 0.502 274 H N -1.082 117.906 119.070 -0.137 0.000 2.535 274 H HA 0.329 4.886 4.556 0.001 0.000 0.232 274 H C 0.442 175.994 175.328 0.373 0.000 1.405 274 H CA -0.056 56.018 56.048 0.044 0.000 1.224 274 H CB 0.910 30.561 29.762 -0.184 0.000 1.763 274 H HN 0.079 nan 8.280 nan 0.000 0.529 275 A N 1.011 124.054 122.820 0.371 0.000 1.969 275 A HA 0.204 4.525 4.320 0.001 0.000 0.218 275 A C 1.542 179.395 177.584 0.447 0.000 1.169 275 A CA 1.107 53.426 52.037 0.470 0.000 0.635 275 A CB 0.103 19.352 19.000 0.416 0.000 0.810 275 A HN 0.478 nan 8.150 nan 0.000 0.445 276 A N -2.022 121.023 122.820 0.375 0.000 2.252 276 A HA 0.530 4.850 4.320 0.001 0.000 0.305 276 A C -0.253 177.195 177.584 -0.226 0.000 1.097 276 A CA -0.549 51.630 52.037 0.236 0.000 0.849 276 A CB 0.066 19.249 19.000 0.305 0.000 1.142 276 A HN 0.401 nan 8.150 nan 0.000 0.499 277 Y N 2.241 121.895 120.300 -1.076 0.000 2.734 277 Y HA 0.166 4.716 4.550 0.001 0.000 0.353 277 Y C 0.265 175.930 175.900 -0.393 0.000 1.244 277 Y CA -0.832 56.501 58.100 -1.278 0.000 1.950 277 Y CB -0.935 36.562 38.460 -1.606 0.000 2.028 277 Y HN 0.770 nan 8.280 nan 0.000 0.421 278 D N 0.185 120.463 120.400 -0.204 0.000 2.507 278 D HA 0.267 4.908 4.640 0.001 0.000 0.280 278 D C 1.484 177.658 176.300 -0.210 0.000 1.219 278 D CA 0.036 53.969 54.000 -0.111 0.000 1.085 278 D CB 0.056 40.892 40.800 0.060 0.000 1.134 278 D HN 0.222 nan 8.370 nan 0.000 0.583 279 A N -0.845 121.901 122.820 -0.124 0.000 1.978 279 A HA -0.139 4.182 4.320 0.001 0.000 0.220 279 A C 1.996 179.446 177.584 -0.223 0.000 1.170 279 A CA 1.443 53.389 52.037 -0.152 0.000 0.636 279 A CB -1.263 17.691 19.000 -0.077 0.000 0.810 279 A HN 0.541 nan 8.150 nan 0.000 0.448 280 F N -0.908 118.758 119.950 -0.474 0.000 2.126 280 F HA -0.204 4.323 4.527 0.001 0.000 0.299 280 F C 1.895 177.287 175.800 -0.680 0.000 1.096 280 F CA 1.890 59.440 58.000 -0.750 0.000 1.255 280 F CB -0.399 37.721 39.000 -1.466 0.000 0.997 280 F HN 0.419 nan 8.300 nan 0.000 0.479 281 W N 0.140 121.219 121.300 -0.369 0.000 2.523 281 W HA 0.013 4.674 4.660 0.001 0.000 0.278 281 W C 2.492 178.680 176.519 -0.553 0.000 1.236 281 W CA 0.514 57.599 57.345 -0.433 0.000 1.306 281 W CB -0.547 28.660 29.460 -0.422 0.000 1.101 281 W HN -0.025 nan 8.180 nan 0.000 0.577 282 Q N 0.417 119.906 119.800 -0.519 0.000 2.124 282 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 282 Q C 1.840 177.736 176.000 -0.174 0.000 0.977 282 Q CA 1.141 56.685 55.803 -0.430 0.000 0.850 282 Q CB -0.198 28.309 28.738 -0.384 0.000 0.901 282 Q HN 0.197 nan 8.270 nan 0.000 0.429 283 E N 0.369 120.454 120.200 -0.191 0.000 2.418 283 E HA -0.114 4.236 4.350 0.001 0.000 0.197 283 E C 1.331 177.875 176.600 -0.093 0.000 1.026 283 E CA 0.733 57.056 56.400 -0.128 0.000 0.862 283 E CB 0.207 29.814 29.700 -0.155 0.000 0.799 283 E HN 0.467 nan 8.360 nan 0.000 0.518 284 Q N -0.337 119.404 119.800 -0.098 0.000 2.384 284 Q HA 0.212 4.553 4.340 0.001 0.000 0.207 284 Q C 0.406 176.488 176.000 0.136 0.000 0.904 284 Q CA -0.093 55.715 55.803 0.009 0.000 0.933 284 Q CB 0.710 29.431 28.738 -0.029 0.000 1.077 284 Q HN 0.020 nan 8.270 nan 0.000 0.522 285 A N 1.368 124.264 122.820 0.126 0.000 2.500 285 A HA 0.048 4.369 4.320 0.001 0.000 0.285 285 A C 0.877 178.562 177.584 0.167 0.000 1.183 285 A CA 0.158 52.299 52.037 0.174 0.000 0.851 285 A CB -0.220 18.895 19.000 0.191 0.000 1.091 285 A HN 0.376 nan 8.150 nan 0.000 0.521 286 L N 1.556 122.897 121.223 0.197 0.000 2.376 286 L HA -0.096 4.244 4.340 0.001 0.000 0.219 286 L C 1.865 178.832 176.870 0.163 0.000 1.133 286 L CA 1.016 55.968 54.840 0.186 0.000 0.816 286 L CB -0.389 41.805 42.059 0.226 0.000 0.933 286 L HN 0.835 nan 8.230 nan 0.000 0.449 287 D N -0.229 120.273 120.400 0.170 0.000 2.178 287 D HA -0.184 4.456 4.640 0.001 0.000 0.202 287 D C 1.780 178.150 176.300 0.117 0.000 0.974 287 D CA 0.944 55.018 54.000 0.123 0.000 0.841 287 D CB -0.222 40.689 40.800 0.186 0.000 0.953 287 D HN 0.118 nan 8.370 nan 0.000 0.478 288 K N 0.630 121.113 120.400 0.139 0.000 2.155 288 K HA 0.067 4.387 4.320 0.001 0.000 0.203 288 K C 1.182 177.839 176.600 0.095 0.000 1.052 288 K CA 0.051 56.408 56.287 0.117 0.000 0.948 288 K CB -0.185 32.387 32.500 0.120 0.000 0.728 288 K HN 0.170 nan 8.250 nan 0.000 0.448 292 R N 0.291 120.827 120.500 0.060 0.000 2.546 292 R HA 0.375 4.715 4.340 0.001 0.000 0.320 292 R C -0.690 175.645 176.300 0.059 0.000 1.021 292 R CA 0.544 56.676 56.100 0.053 0.000 1.088 292 R CB -0.085 30.244 30.300 0.048 0.000 1.278 292 R HN 0.110 nan 8.270 nan 0.000 0.557 293 T N 3.339 117.936 114.554 0.073 0.000 2.749 293 T HA 0.354 4.704 4.350 0.001 0.000 0.287 293 T C -2.426 172.321 174.700 0.079 0.000 0.970 293 T CA -1.521 60.628 62.100 0.082 0.000 0.980 293 T CB 1.720 70.654 68.868 0.110 0.000 0.924 293 T HN 0.066 nan 8.240 nan 0.000 0.456 294 P HA 0.187 nan 4.420 nan 0.000 0.268 294 P C -0.792 176.550 177.300 0.069 0.000 1.205 294 P CA -0.598 62.538 63.100 0.059 0.000 0.771 294 P CB 0.362 32.092 31.700 0.050 0.000 0.858 295 L N 3.876 125.138 121.223 0.065 0.000 2.342 295 L HA 0.175 4.516 4.340 0.001 0.000 0.285 295 L C 1.546 178.446 176.870 0.050 0.000 1.095 295 L CA 0.827 55.710 54.840 0.071 0.000 0.843 295 L CB 0.009 42.111 42.059 0.071 0.000 1.201 295 L HN 0.500 nan 8.230 nan 0.000 0.445 296 K N 1.482 121.906 120.400 0.039 0.000 2.550 296 K HA 0.283 4.604 4.320 0.001 0.000 0.205 296 K C -0.088 176.495 176.600 -0.029 0.000 1.429 296 K CA -0.264 56.030 56.287 0.012 0.000 0.997 296 K CB 0.466 32.975 32.500 0.016 0.000 1.328 296 K HN 0.164 nan 8.250 nan 0.000 0.546 297 V N 4.528 124.421 119.914 -0.034 0.000 2.364 297 V HA 0.293 4.414 4.120 0.001 0.000 0.272 297 V C -2.498 173.540 176.094 -0.094 0.000 1.036 297 V CA -2.195 60.042 62.300 -0.105 0.000 0.880 297 V CB 0.961 32.728 31.823 -0.093 0.000 0.991 297 V HN 0.067 nan 8.190 nan 0.000 0.460 298 P HA 0.104 nan 4.420 nan 0.000 0.256 298 P C -0.058 177.308 177.300 0.110 0.000 1.173 298 P CA 0.770 63.837 63.100 -0.055 0.000 0.768 298 P CB 0.236 31.611 31.700 -0.541 0.000 0.758 302 L N 4.319 125.700 121.223 0.263 0.000 2.388 302 L HA 0.819 5.160 4.340 0.001 0.000 0.264 302 L C -0.730 176.229 176.870 0.148 0.000 0.998 302 L CA -0.397 54.517 54.840 0.123 0.000 0.817 302 L CB 1.963 44.029 42.059 0.011 0.000 1.338 302 L HN 0.607 nan 8.230 nan 0.000 0.414 303 Q N 2.761 122.634 119.800 0.120 0.000 2.804 303 Q HA 0.582 4.922 4.340 0.001 0.000 0.302 303 Q C -1.423 174.669 176.000 0.153 0.000 0.885 303 Q CA -0.878 55.012 55.803 0.144 0.000 0.759 303 Q CB 1.381 30.193 28.738 0.122 0.000 1.465 303 Q HN 0.715 nan 8.270 nan 0.000 0.432 304 G N 0.325 109.230 108.800 0.174 0.000 2.425 304 G HA2 0.453 4.413 3.960 0.001 0.000 0.302 304 G HA3 0.453 4.413 3.960 0.001 0.000 0.302 304 G C 0.189 175.028 174.900 -0.100 0.000 1.159 304 G CA -0.897 44.274 45.100 0.119 0.000 0.865 304 G HN 0.582 nan 8.290 nan 0.000 0.515 305 L N 0.108 121.129 121.223 -0.338 0.000 2.217 305 L HA 0.044 4.384 4.340 0.001 0.000 0.211 305 L C 1.101 177.668 176.870 -0.504 0.000 1.107 305 L CA 0.640 55.156 54.840 -0.540 0.000 0.783 305 L CB 0.046 41.558 42.059 -0.912 0.000 0.919 305 L HN 0.528 nan 8.230 nan 0.000 0.442 306 W N 0.246 121.480 121.300 -0.110 0.000 2.637 306 W HA 0.193 4.854 4.660 0.001 0.000 0.420 306 W C 0.042 176.506 176.519 -0.092 0.000 0.766 306 W CA -0.901 56.372 57.345 -0.119 0.000 2.499 306 W CB -0.159 29.224 29.460 -0.128 0.000 1.395 306 W HN -0.039 nan 8.180 nan 0.000 0.802 307 D N 2.476 122.940 120.400 0.107 0.000 2.367 307 D HA -0.052 4.589 4.640 0.001 0.000 0.255 307 D C 1.654 177.985 176.300 0.053 0.000 1.300 307 D CA 0.467 54.547 54.000 0.132 0.000 0.959 307 D CB 0.924 41.825 40.800 0.167 0.000 1.064 307 D HN 0.182 nan 8.370 nan 0.000 0.509 308 Q N 2.426 122.201 119.800 -0.042 0.000 2.482 308 Q HA -0.066 4.275 4.340 0.001 0.000 0.209 308 Q C 0.212 176.166 176.000 -0.076 0.000 0.961 308 Q CA 0.946 56.651 55.803 -0.162 0.000 0.945 308 Q CB 0.280 28.709 28.738 -0.514 0.000 1.012 308 Q HN 0.571 nan 8.270 nan 0.000 0.515 309 E N -0.228 119.900 120.200 -0.119 0.000 2.399 309 E HA 0.149 4.500 4.350 0.001 0.000 0.206 309 E C -0.201 176.283 176.600 -0.194 0.000 0.812 309 E CA 0.057 56.317 56.400 -0.234 0.000 1.138 309 E CB 0.730 30.043 29.700 -0.645 0.000 1.140 309 E HN 0.309 nan 8.360 nan 0.000 0.536 313 G N 2.237 111.272 108.800 0.392 0.000 2.679 313 G HA2 -0.273 3.687 3.960 0.001 0.000 0.217 313 G HA3 -0.273 3.687 3.960 0.001 0.000 0.217 313 G C 1.583 176.589 174.900 0.176 0.000 1.267 313 G CA 3.069 48.356 45.100 0.312 0.000 0.799 313 G HN 0.398 nan 8.290 nan 0.000 0.606 314 A N 0.213 123.152 122.820 0.199 0.000 1.883 314 A HA -0.013 4.308 4.320 0.001 0.000 0.217 314 A C 2.439 180.027 177.584 0.007 0.000 1.186 314 A CA 1.943 54.102 52.037 0.203 0.000 0.624 314 A CB -0.490 18.680 19.000 0.284 0.000 0.822 314 A HN 0.503 nan 8.150 nan 0.000 0.444 315 I N -0.744 119.816 120.570 -0.018 0.000 2.286 315 I HA -0.196 3.974 4.170 0.001 0.000 0.248 315 I C 2.079 178.075 176.117 -0.202 0.000 1.115 315 I CA 1.886 63.126 61.300 -0.101 0.000 1.392 315 I CB -0.542 37.364 38.000 -0.156 0.000 1.065 315 I HN 0.462 nan 8.210 nan 0.000 0.418 316 H N -0.759 118.146 119.070 -0.276 0.000 2.395 316 H HA 0.014 4.570 4.556 0.001 0.000 0.299 316 H C 2.427 177.591 175.328 -0.272 0.000 1.070 316 H CA 1.605 57.461 56.048 -0.320 0.000 1.356 316 H CB -0.147 29.300 29.762 -0.525 0.000 1.401 316 H HN 0.258 nan 8.280 nan 0.000 0.524 317 S N -0.250 115.263 115.700 -0.312 0.000 2.383 317 S HA -0.178 4.293 4.470 0.001 0.000 0.227 317 S C 1.840 175.915 174.600 -0.875 0.000 1.026 317 S CA 1.057 58.837 58.200 -0.701 0.000 0.981 317 S CB -0.384 61.995 63.200 -1.369 0.000 0.818 317 S HN 0.498 nan 8.310 nan 0.000 0.472 318 Y N 2.567 122.289 120.300 -0.963 0.000 2.145 318 Y HA -0.146 4.404 4.550 0.001 0.000 0.286 318 Y C 2.359 178.133 175.900 -0.210 0.000 1.145 318 Y CA 1.154 58.932 58.100 -0.535 0.000 1.148 318 Y CB -0.770 37.580 38.460 -0.183 0.000 0.981 318 Y HN 0.202 nan 8.280 nan 0.000 0.507 319 A N 1.124 123.812 122.820 -0.220 0.000 2.015 319 A HA 0.166 4.487 4.320 0.001 0.000 0.219 319 A C 1.746 179.208 177.584 -0.203 0.000 1.163 319 A CA 0.817 52.719 52.037 -0.225 0.000 0.646 319 A CB -1.440 17.492 19.000 -0.112 0.000 0.806 319 A HN 0.573 nan 8.150 nan 0.000 0.448 323 P HA -0.042 nan 4.420 nan 0.000 0.221 323 P C 0.506 177.784 177.300 -0.037 0.000 1.145 323 P CA 1.139 64.201 63.100 -0.063 0.000 0.795 323 P CB 0.019 31.690 31.700 -0.049 0.000 0.775 324 R N -1.199 119.281 120.500 -0.033 0.000 2.393 324 R HA 0.086 4.426 4.340 0.001 0.000 0.244 324 R C 0.256 176.555 176.300 -0.002 0.000 0.920 324 R CA -0.052 56.044 56.100 -0.008 0.000 1.076 324 R CB -0.128 30.175 30.300 0.005 0.000 1.119 324 R HN 0.036 nan 8.270 nan 0.000 0.524 325 D N 1.450 121.839 120.400 -0.018 0.000 2.619 325 D HA 0.060 4.700 4.640 0.001 0.000 0.224 325 D C 0.556 176.855 176.300 -0.003 0.000 1.133 325 D CA 0.095 54.090 54.000 -0.009 0.000 1.017 325 D CB 0.367 41.146 40.800 -0.036 0.000 1.077 325 D HN -0.040 nan 8.370 nan 0.000 0.503 326 K N 0.751 121.157 120.400 0.010 0.000 2.044 326 K HA -0.134 4.187 4.320 0.001 0.000 0.210 326 K C 1.335 177.947 176.600 0.019 0.000 1.049 326 K CA 1.021 57.317 56.287 0.014 0.000 0.927 326 K CB 0.231 32.742 32.500 0.019 0.000 0.713 326 K HN 0.181 nan 8.250 nan 0.000 0.443 327 R N 0.410 120.927 120.500 0.029 0.000 2.334 327 R HA 0.065 4.406 4.340 0.001 0.000 0.216 327 R C 0.207 176.530 176.300 0.037 0.000 0.905 327 R CA 0.017 56.140 56.100 0.039 0.000 1.064 327 R CB -0.452 29.881 30.300 0.055 0.000 1.046 327 R HN 0.249 nan 8.270 nan 0.000 0.508 328 N N 1.063 119.770 118.700 0.011 0.000 2.754 328 N HA -0.144 4.597 4.740 0.001 0.000 0.248 328 N C -0.188 175.289 175.510 -0.054 0.000 1.093 328 N CA 1.368 54.398 53.050 -0.033 0.000 0.699 328 N CB -1.132 37.352 38.487 -0.006 0.000 1.016 328 N HN 0.463 nan 8.380 nan 0.000 0.552 329 T N -4.161 110.408 114.554 0.026 0.000 3.144 329 T HA 0.382 4.733 4.350 0.001 0.000 0.290 329 T C 1.248 176.143 174.700 0.324 0.000 0.966 329 T CA -0.208 62.018 62.100 0.209 0.000 0.907 329 T CB 0.001 69.024 68.868 0.259 0.000 1.152 329 T HN 0.169 nan 8.240 nan 0.000 0.532 330 L N -0.112 121.200 121.223 0.148 0.000 2.781 330 L HA 0.515 4.856 4.340 0.001 0.000 0.245 330 L C 0.048 177.057 176.870 0.233 0.000 1.118 330 L CA -0.103 54.863 54.840 0.209 0.000 0.918 330 L CB 0.611 42.738 42.059 0.115 0.000 1.246 330 L HN 0.140 nan 8.230 nan 0.000 0.526 331 N N -0.507 118.238 118.700 0.076 0.000 2.519 331 N HA 0.365 5.106 4.740 0.001 0.000 0.286 331 N C -1.541 174.047 175.510 0.130 0.000 1.079 331 N CA -0.261 52.916 53.050 0.212 0.000 0.878 331 N CB 1.036 39.616 38.487 0.156 0.000 1.375 331 N HN -0.127 nan 8.380 nan 0.000 0.514 332 Y N 1.575 122.114 120.300 0.398 0.000 2.562 332 Y HA 0.666 5.217 4.550 0.001 0.000 0.343 332 Y C -0.692 175.353 175.900 0.241 0.000 1.025 332 Y CA -1.053 57.212 58.100 0.274 0.000 1.082 332 Y CB 1.645 40.103 38.460 -0.004 0.000 1.264 332 Y HN 0.366 nan 8.280 nan 0.000 0.478 333 L N 1.682 122.957 121.223 0.087 0.000 2.408 333 L HA 0.890 5.230 4.340 0.001 0.000 0.268 333 L C -1.458 175.360 176.870 -0.088 0.000 0.986 333 L CA -0.571 54.140 54.840 -0.215 0.000 0.820 333 L CB 1.728 43.229 42.059 -0.930 0.000 1.303 333 L HN 0.497 nan 8.230 nan 0.000 0.411 337 P HA 0.278 nan 4.420 nan 0.000 0.214 337 P C -1.018 175.908 177.300 -0.623 0.000 1.826 337 P CA -0.079 62.269 63.100 -1.254 0.000 0.977 337 P CB -0.250 30.226 31.700 -2.040 0.000 1.930 338 W N 2.228 123.446 121.300 -0.137 0.000 2.882 338 W HA 0.405 5.066 4.660 0.001 0.000 0.345 338 W C 0.583 177.166 176.519 0.106 0.000 1.125 338 W CA -0.807 56.536 57.345 -0.004 0.000 1.167 338 W CB 1.151 30.571 29.460 -0.067 0.000 1.431 338 W HN 0.066 nan 8.180 nan 0.000 0.543 339 R N -0.210 120.498 120.500 0.347 0.000 2.541 339 R HA 0.390 4.731 4.340 0.001 0.000 0.254 339 R C -0.194 176.230 176.300 0.206 0.000 1.130 339 R CA -0.749 55.478 56.100 0.211 0.000 1.152 339 R CB -0.265 30.088 30.300 0.089 0.000 1.222 339 R HN 0.357 nan 8.270 nan 0.000 0.579 340 H N 0.149 119.256 119.070 0.062 0.000 3.107 340 H HA 0.040 4.596 4.556 0.001 0.000 0.301 340 H C -0.213 175.171 175.328 0.093 0.000 0.981 340 H CA 1.711 57.806 56.048 0.078 0.000 1.443 340 H CB 0.053 29.852 29.762 0.062 0.000 1.479 340 H HN 0.720 nan 8.280 nan 0.000 0.564 341 S N 1.903 117.402 115.700 -0.335 0.000 3.127 341 S HA -0.345 4.126 4.470 0.001 0.000 0.281 341 S C 1.615 176.211 174.600 -0.008 0.000 1.293 341 S CA 1.255 59.339 58.200 -0.193 0.000 1.156 341 S CB -1.323 61.804 63.200 -0.120 0.000 1.389 341 S HN 0.914 nan 8.310 nan 0.000 0.672 342 Q N 0.444 120.214 119.800 -0.051 0.000 2.291 342 Q HA -0.026 4.314 4.340 0.001 0.000 0.206 342 Q C 1.997 177.738 176.000 -0.431 0.000 0.976 342 Q CA 1.475 57.237 55.803 -0.069 0.000 0.875 342 Q CB -0.143 28.591 28.738 -0.007 0.000 0.927 342 Q HN 0.621 nan 8.270 nan 0.000 0.450 343 V N 1.348 120.783 119.914 -0.798 0.000 2.568 343 V HA -0.214 3.907 4.120 0.001 0.000 0.253 343 V C 0.951 176.758 176.094 -0.478 0.000 1.072 343 V CA 1.828 63.492 62.300 -1.060 0.000 1.084 343 V CB -0.286 30.945 31.823 -0.986 0.000 0.676 343 V HN 0.467 nan 8.190 nan 0.000 0.469 344 N N -1.540 116.944 118.700 -0.360 0.000 2.268 344 N HA 0.153 4.893 4.740 0.001 0.000 0.204 344 N C -0.224 174.857 175.510 -0.714 0.000 1.124 344 N CA 0.220 52.995 53.050 -0.459 0.000 0.838 344 N CB 0.448 38.650 38.487 -0.475 0.000 0.994 344 N HN 0.592 nan 8.380 nan 0.000 0.489 345 Y N -0.239 119.976 120.300 -0.141 0.000 3.345 345 Y HA 0.308 4.858 4.550 0.001 0.000 0.279 345 Y C 0.089 175.954 175.900 -0.059 0.000 1.980 345 Y CA -1.025 57.028 58.100 -0.078 0.000 0.912 345 Y CB 0.102 38.528 38.460 -0.057 0.000 1.460 345 Y HN -0.252 nan 8.280 nan 0.000 0.605 346 D N -0.114 120.394 120.400 0.179 0.000 2.274 346 D HA 0.306 4.947 4.640 0.001 0.000 0.239 346 D C 0.114 176.505 176.300 0.151 0.000 1.104 346 D CA -0.126 53.950 54.000 0.125 0.000 0.840 346 D CB 1.447 42.313 40.800 0.109 0.000 1.100 346 D HN 0.707 nan 8.370 nan 0.000 0.477 347 G N 1.996 110.913 108.800 0.196 0.000 3.820 347 G HA2 0.054 4.015 3.960 0.001 0.000 0.293 347 G HA3 0.054 4.015 3.960 0.001 0.000 0.293 347 G C 0.946 176.072 174.900 0.377 0.000 1.152 347 G CA -0.294 45.007 45.100 0.336 0.000 0.921 347 G HN 0.406 nan 8.290 nan 0.000 0.544 348 S N -0.068 115.793 115.700 0.268 0.000 2.496 348 S HA 0.499 4.969 4.470 0.001 0.000 0.224 348 S C 1.042 175.732 174.600 0.151 0.000 0.996 348 S CA 0.723 59.055 58.200 0.219 0.000 0.927 348 S CB 0.322 63.592 63.200 0.116 0.000 0.774 348 S HN 0.791 nan 8.310 nan 0.000 0.524 349 A N 0.360 123.264 122.820 0.140 0.000 2.601 349 A HA 0.738 5.058 4.320 0.001 0.000 0.291 349 A C -2.233 175.355 177.584 0.008 0.000 1.075 349 A CA -0.636 51.290 52.037 -0.185 0.000 0.671 349 A CB 1.072 19.952 19.000 -0.199 0.000 1.277 349 A HN 0.186 nan 8.150 nan 0.000 0.417 350 L N 1.143 122.259 121.223 -0.177 0.000 2.555 350 L HA 0.646 4.986 4.340 0.001 0.000 0.264 350 L C 0.730 177.476 176.870 -0.208 0.000 0.972 350 L CA 1.551 56.361 54.840 -0.049 0.000 0.876 350 L CB 1.061 43.200 42.059 0.135 0.000 1.216 350 L HN 2.571 nan 8.230 nan 0.000 0.415 351 G N 3.741 112.446 108.800 -0.158 0.000 2.611 351 G HA2 -0.280 3.680 3.960 0.001 0.000 0.301 351 G HA3 -0.280 3.680 3.960 0.001 0.000 0.301 351 G C 0.843 175.608 174.900 -0.225 0.000 1.233 351 G CA 0.538 45.533 45.100 -0.174 0.000 0.993 351 G HN 1.624 nan 8.290 nan 0.000 0.553 352 A N -0.227 122.437 122.820 -0.260 0.000 2.167 352 A HA 0.535 4.856 4.320 0.001 0.000 0.214 352 A C 1.392 178.720 177.584 -0.428 0.000 1.151 352 A CA 1.040 52.887 52.037 -0.317 0.000 0.735 352 A CB -0.265 18.538 19.000 -0.328 0.000 0.802 352 A HN 0.736 nan 8.150 nan 0.000 0.467 353 L N 1.461 122.394 121.223 -0.484 0.000 2.331 353 L HA 0.237 4.578 4.340 0.001 0.000 0.278 353 L C -0.521 175.874 176.870 -0.791 0.000 1.106 353 L CA -0.447 54.037 54.840 -0.593 0.000 0.824 353 L CB 0.452 42.159 42.059 -0.587 0.000 1.142 353 L HN 0.234 nan 8.230 nan 0.000 0.443 354 N N 2.756 121.060 118.700 -0.660 0.000 2.372 354 N HA 0.529 5.270 4.740 0.001 0.000 0.291 354 N C -0.889 174.308 175.510 -0.522 0.000 1.024 354 N CA -0.359 52.351 53.050 -0.566 0.000 0.873 354 N CB 2.114 40.449 38.487 -0.253 0.000 1.206 354 N HN 0.202 nan 8.380 nan 0.000 0.486 355 F N -0.027 119.921 119.950 -0.004 0.000 2.518 355 F HA 0.324 4.852 4.527 0.001 0.000 0.338 355 F C 1.224 177.061 175.800 0.062 0.000 1.065 355 F CA -0.927 57.084 58.000 0.019 0.000 1.012 355 F CB 0.584 39.502 39.000 -0.136 0.000 1.297 355 F HN 0.133 nan 8.300 nan 0.000 0.489 356 E N 1.694 122.100 120.200 0.342 0.000 1.856 356 E HA 0.409 4.759 4.350 0.001 0.000 0.263 356 E C 0.469 177.208 176.600 0.233 0.000 1.137 356 E CA 0.141 56.684 56.400 0.239 0.000 1.007 356 E CB -0.022 29.815 29.700 0.228 0.000 1.117 356 E HN 0.782 nan 8.360 nan 0.000 0.438 357 G N 3.024 111.937 108.800 0.188 0.000 2.757 357 G HA2 -0.243 3.718 3.960 0.001 0.000 0.638 357 G HA3 -0.243 3.718 3.960 0.001 0.000 0.638 357 G C -0.446 174.578 174.900 0.207 0.000 1.344 357 G CA -0.630 44.576 45.100 0.176 0.000 0.855 357 G HN 0.470 nan 8.290 nan 0.000 0.537 358 D N 0.801 121.314 120.400 0.188 0.000 2.416 358 D HA 0.340 4.981 4.640 0.001 0.000 0.240 358 D C 2.161 178.638 176.300 0.295 0.000 1.250 358 D CA 0.789 54.913 54.000 0.207 0.000 0.967 358 D CB 0.052 40.938 40.800 0.143 0.000 1.059 358 D HN 0.775 nan 8.370 nan 0.000 0.512 359 T N 0.764 115.535 114.554 0.360 0.000 2.881 359 T HA -0.136 4.214 4.350 0.001 0.000 0.270 359 T C 1.790 176.959 174.700 0.781 0.000 1.068 359 T CA 0.965 63.396 62.100 0.551 0.000 1.131 359 T CB -0.028 68.937 68.868 0.162 0.000 0.871 359 T HN 0.256 nan 8.240 nan 0.000 0.479 360 A N 2.160 125.308 122.820 0.547 0.000 1.872 360 A HA 0.088 4.408 4.320 0.001 0.000 0.214 360 A C 2.454 180.183 177.584 0.243 0.000 1.187 360 A CA 1.660 53.855 52.037 0.264 0.000 0.614 360 A CB -0.702 18.238 19.000 -0.101 0.000 0.826 360 A HN 0.464 nan 8.150 nan 0.000 0.442 361 R N 0.190 120.797 120.500 0.178 0.000 2.096 361 R HA -0.120 4.221 4.340 0.001 0.000 0.235 361 R C 2.101 178.486 176.300 0.140 0.000 1.127 361 R CA 2.142 58.303 56.100 0.102 0.000 0.968 361 R CB -0.797 29.544 30.300 0.067 0.000 0.861 361 R HN 0.670 nan 8.270 nan 0.000 0.440 362 Q N -0.988 118.962 119.800 0.250 0.000 2.061 362 Q HA -0.164 4.177 4.340 0.001 0.000 0.204 362 Q C 1.863 177.985 176.000 0.204 0.000 0.984 362 Q CA 1.939 57.892 55.803 0.251 0.000 0.846 362 Q CB -0.357 28.635 28.738 0.423 0.000 0.902 362 Q HN 0.412 nan 8.270 nan 0.000 0.421 363 F N 1.296 121.372 119.950 0.210 0.000 2.102 363 F HA -0.144 4.383 4.527 0.001 0.000 0.298 363 F C 2.046 177.815 175.800 -0.051 0.000 1.105 363 F CA 1.428 59.490 58.000 0.103 0.000 1.239 363 F CB -0.081 39.126 39.000 0.345 0.000 0.991 363 F HN -0.154 nan 8.300 nan 0.000 0.474 364 R N -0.891 119.400 120.500 -0.349 0.000 2.091 364 R HA -0.207 4.133 4.340 0.001 0.000 0.238 364 R C 2.439 178.461 176.300 -0.463 0.000 1.136 364 R CA 1.607 57.367 56.100 -0.566 0.000 0.959 364 R CB -0.962 29.154 30.300 -0.306 0.000 0.856 364 R HN 0.487 nan 8.270 nan 0.000 0.437 365 H N 0.707 119.581 119.070 -0.326 0.000 2.370 365 H HA -0.015 4.541 4.556 0.001 0.000 0.304 365 H C 0.916 176.097 175.328 -0.244 0.000 1.055 365 H CA 1.124 57.024 56.048 -0.246 0.000 1.373 365 H CB 0.381 30.060 29.762 -0.139 0.000 1.423 365 H HN 0.084 nan 8.280 nan 0.000 0.533 366 D N -0.129 120.250 120.400 -0.035 0.000 2.249 366 D HA -0.018 4.622 4.640 0.001 0.000 0.205 366 D C 2.003 178.109 176.300 -0.323 0.000 0.962 366 D CA 0.553 54.488 54.000 -0.109 0.000 0.860 366 D CB 0.640 41.390 40.800 -0.084 0.000 0.955 366 D HN 0.252 nan 8.370 nan 0.000 0.505 367 V N 0.047 119.668 119.914 -0.488 0.000 3.029 367 V HA 0.028 4.148 4.120 0.001 0.000 0.230 367 V C 1.937 177.727 176.094 -0.506 0.000 1.254 367 V CA 0.016 61.979 62.300 -0.562 0.000 1.276 367 V CB -0.072 31.304 31.823 -0.744 0.000 1.080 367 V HN 0.026 nan 8.190 nan 0.000 0.495 368 L N 1.060 121.795 121.223 -0.814 0.000 2.017 368 L HA -0.093 4.247 4.340 0.001 0.000 0.208 368 L C 2.525 179.200 176.870 -0.324 0.000 1.073 368 L CA 2.428 56.887 54.840 -0.635 0.000 0.745 368 L CB -0.665 40.776 42.059 -1.029 0.000 0.894 368 L HN 0.321 nan 8.230 nan 0.000 0.432 369 R N 0.208 120.473 120.500 -0.392 0.000 2.080 369 R HA -0.099 4.242 4.340 0.001 0.000 0.236 369 R C -0.583 175.684 176.300 -0.056 0.000 1.137 369 R CA 2.124 58.081 56.100 -0.239 0.000 0.943 369 R CB -1.875 28.223 30.300 -0.337 0.000 0.846 369 R HN 0.290 nan 8.270 nan 0.000 0.431 370 P HA -0.097 nan 4.420 nan 0.000 0.217 370 P C 1.009 178.333 177.300 0.040 0.000 1.150 370 P CA 0.983 64.054 63.100 -0.049 0.000 0.832 370 P CB -0.228 31.413 31.700 -0.098 0.000 0.787 371 F N -0.649 119.252 119.950 -0.081 0.000 2.102 371 F HA -0.176 4.351 4.527 0.001 0.000 0.298 371 F C 2.030 177.958 175.800 0.213 0.000 1.105 371 F CA 1.448 59.450 58.000 0.004 0.000 1.239 371 F CB -0.983 37.996 39.000 -0.035 0.000 0.991 371 F HN -0.226 nan 8.300 nan 0.000 0.474 372 F N 1.139 121.086 119.950 -0.004 0.000 2.113 372 F HA -0.149 4.378 4.527 0.001 0.000 0.297 372 F C 2.387 178.224 175.800 0.061 0.000 1.103 372 F CA 1.719 59.718 58.000 -0.001 0.000 1.248 372 F CB -1.102 37.952 39.000 0.091 0.000 0.999 372 F HN -0.039 nan 8.300 nan 0.000 0.475 373 D N -0.347 120.211 120.400 0.263 0.000 2.123 373 D HA -0.243 4.398 4.640 0.001 0.000 0.196 373 D C 2.214 178.485 176.300 -0.050 0.000 0.992 373 D CA 1.310 55.387 54.000 0.128 0.000 0.833 373 D CB -0.580 40.264 40.800 0.073 0.000 0.954 373 D HN 0.368 nan 8.370 nan 0.000 0.455 374 Q N -0.881 118.822 119.800 -0.162 0.000 2.135 374 Q HA -0.210 4.131 4.340 0.001 0.000 0.204 374 Q C 1.156 176.878 176.000 -0.463 0.000 0.981 374 Q CA 1.382 56.964 55.803 -0.369 0.000 0.856 374 Q CB -0.066 28.329 28.738 -0.572 0.000 0.902 374 Q HN 0.391 nan 8.270 nan 0.000 0.425 375 Y N -1.144 119.040 120.300 -0.194 0.000 2.449 375 Y HA 0.214 4.765 4.550 0.001 0.000 0.254 375 Y C 1.200 176.979 175.900 -0.202 0.000 1.140 375 Y CA 0.136 58.103 58.100 -0.223 0.000 1.272 375 Y CB 0.745 38.999 38.460 -0.343 0.000 1.114 375 Y HN 0.068 nan 8.280 nan 0.000 0.525 376 L N -1.945 119.250 121.223 -0.047 0.000 2.730 376 L HA 0.240 4.581 4.340 0.001 0.000 0.236 376 L C -0.053 176.755 176.870 -0.103 0.000 1.061 376 L CA 0.078 54.876 54.840 -0.070 0.000 0.898 376 L CB 0.540 42.588 42.059 -0.019 0.000 1.270 376 L HN -0.298 nan 8.230 nan 0.000 0.500 377 V N 1.228 121.080 119.914 -0.103 0.000 2.432 377 V HA 0.143 4.263 4.120 0.001 0.000 0.275 377 V C -0.587 175.443 176.094 -0.105 0.000 1.043 377 V CA -0.744 61.474 62.300 -0.137 0.000 0.925 377 V CB 1.189 32.930 31.823 -0.136 0.000 0.985 377 V HN 0.088 nan 8.190 nan 0.000 0.466 378 D N 4.254 124.594 120.400 -0.100 0.000 2.472 378 D HA 0.340 4.980 4.640 0.001 0.000 0.248 378 D C 1.230 177.487 176.300 -0.072 0.000 1.174 378 D CA 1.741 55.693 54.000 -0.079 0.000 0.883 378 D CB 0.678 41.434 40.800 -0.072 0.000 1.149 378 D HN 0.972 nan 8.370 nan 0.000 0.488 379 G N 1.670 110.430 108.800 -0.067 0.000 2.148 379 G HA2 -0.208 3.752 3.960 0.001 0.000 0.254 379 G HA3 -0.208 3.752 3.960 0.001 0.000 0.254 379 G C 0.570 175.430 174.900 -0.067 0.000 0.981 379 G CA 0.211 45.275 45.100 -0.061 0.000 0.670 379 G HN 0.856 nan 8.290 nan 0.000 0.528 380 A N 0.757 123.528 122.820 -0.081 0.000 2.445 380 A HA 0.646 4.966 4.320 0.001 0.000 0.242 380 A C -0.455 177.074 177.584 -0.093 0.000 1.075 380 A CA -0.071 51.916 52.037 -0.084 0.000 0.777 380 A CB 0.227 19.173 19.000 -0.090 0.000 1.013 380 A HN 0.390 nan 8.150 nan 0.000 0.493 381 P HA 0.204 nan 4.420 nan 0.000 0.276 381 P C -0.595 176.643 177.300 -0.104 0.000 1.261 381 P CA -0.657 62.395 63.100 -0.079 0.000 0.800 381 P CB 0.496 32.161 31.700 -0.059 0.000 1.066 382 K N 0.496 120.842 120.400 -0.090 0.000 2.368 382 K HA 0.379 4.699 4.320 0.001 0.000 0.282 382 K C -0.324 176.231 176.600 -0.074 0.000 1.035 382 K CA -0.366 55.864 56.287 -0.096 0.000 0.973 382 K CB 0.201 32.667 32.500 -0.057 0.000 0.957 382 K HN 0.551 nan 8.250 nan 0.000 0.474 383 A N 3.445 126.218 122.820 -0.078 0.000 2.310 383 A HA 0.119 4.439 4.320 0.001 0.000 0.299 383 A C -0.324 177.251 177.584 -0.015 0.000 1.147 383 A CA -0.555 51.453 52.037 -0.048 0.000 0.818 383 A CB 0.765 19.746 19.000 -0.032 0.000 1.096 383 A HN 0.829 nan 8.150 nan 0.000 0.495 384 D N 1.985 122.370 120.400 -0.025 0.000 2.845 384 D HA 0.179 4.819 4.640 0.001 0.000 0.235 384 D C -0.141 176.147 176.300 -0.020 0.000 1.158 384 D CA 0.204 54.200 54.000 -0.005 0.000 0.990 384 D CB -0.532 40.259 40.800 -0.014 0.000 1.094 384 D HN 0.343 nan 8.370 nan 0.000 0.486 385 T N 3.671 118.230 114.554 0.009 0.000 2.799 385 T HA 0.218 4.568 4.350 0.001 0.000 0.296 385 T C -2.169 172.586 174.700 0.092 0.000 0.947 385 T CA -1.113 60.960 62.100 -0.045 0.000 1.141 385 T CB 1.085 69.872 68.868 -0.136 0.000 0.891 385 T HN 0.276 nan 8.240 nan 0.000 0.533 386 P HA 0.230 nan 4.420 nan 0.000 0.276 386 P C -2.231 175.241 177.300 0.287 0.000 1.243 386 P CA -1.781 61.400 63.100 0.135 0.000 0.768 386 P CB 0.852 32.610 31.700 0.096 0.000 0.856 387 P HA -0.125 nan 4.420 nan 0.000 0.217 387 P C 0.070 177.496 177.300 0.210 0.000 1.148 387 P CA 1.385 64.595 63.100 0.183 0.000 0.828 387 P CB 0.215 31.964 31.700 0.082 0.000 0.783 388 V N -0.783 119.244 119.914 0.187 0.000 2.623 388 V HA 0.362 4.482 4.120 0.001 0.000 0.304 388 V C -1.107 175.105 176.094 0.196 0.000 1.054 388 V CA -0.604 61.766 62.300 0.116 0.000 0.882 388 V CB 2.163 34.041 31.823 0.092 0.000 1.002 388 V HN -0.188 nan 8.190 nan 0.000 0.424 389 F N 6.511 126.432 119.950 -0.048 0.000 2.430 389 F HA 0.731 5.258 4.527 0.001 0.000 0.362 389 F C -0.681 175.156 175.800 0.061 0.000 1.103 389 F CA -1.110 56.877 58.000 -0.022 0.000 1.045 389 F CB 1.048 39.963 39.000 -0.141 0.000 1.276 389 F HN 0.440 nan 8.300 nan 0.000 0.444 390 I N 6.001 126.525 120.570 -0.076 0.000 2.533 390 I HA 0.341 4.511 4.170 0.001 0.000 0.290 390 I C -1.733 174.201 176.117 -0.304 0.000 1.056 390 I CA -0.898 60.242 61.300 -0.268 0.000 1.057 390 I CB 1.496 39.126 38.000 -0.617 0.000 1.240 390 I HN 0.488 nan 8.210 nan 0.000 0.423 391 Y N 7.220 127.042 120.300 -0.797 0.000 2.304 391 Y HA 0.302 4.852 4.550 0.001 0.000 0.328 391 Y C 0.172 175.643 175.900 -0.715 0.000 1.123 391 Y CA 0.008 57.487 58.100 -1.034 0.000 1.218 391 Y CB 0.739 38.237 38.460 -1.603 0.000 1.207 391 Y HN 0.520 nan 8.280 nan 0.000 0.495 392 N N 3.264 121.391 118.700 -0.954 0.000 2.437 392 N HA 0.019 4.760 4.740 0.001 0.000 0.243 392 N C 0.485 175.601 175.510 -0.657 0.000 1.041 392 N CA 0.245 52.865 53.050 -0.715 0.000 0.940 392 N CB 1.091 39.105 38.487 -0.789 0.000 1.133 392 N HN 0.865 nan 8.380 nan 0.000 0.506 393 T N -0.236 114.154 114.554 -0.273 0.000 3.113 393 T HA 0.060 4.410 4.350 0.001 0.000 0.263 393 T C 1.475 176.165 174.700 -0.016 0.000 1.143 393 T CA 0.663 62.798 62.100 0.058 0.000 1.090 393 T CB 0.107 69.081 68.868 0.176 0.000 0.922 393 T HN 0.413 nan 8.240 nan 0.000 0.521 394 G N 1.113 109.616 108.800 -0.495 0.000 2.673 394 G HA2 0.140 4.100 3.960 0.001 0.000 0.208 394 G HA3 0.140 4.100 3.960 0.001 0.000 0.208 394 G C 1.341 175.968 174.900 -0.455 0.000 1.128 394 G CA -0.179 44.478 45.100 -0.738 0.000 0.805 394 G HN 0.560 nan 8.290 nan 0.000 0.526 395 E N 0.338 120.252 120.200 -0.477 0.000 2.476 395 E HA 0.091 4.441 4.350 0.001 0.000 0.199 395 E C 0.040 176.423 176.600 -0.362 0.000 1.021 395 E CA -0.415 55.759 56.400 -0.377 0.000 0.907 395 E CB 0.314 29.783 29.700 -0.385 0.000 0.974 395 E HN 0.130 nan 8.360 nan 0.000 0.489 396 N N 2.032 120.456 118.700 -0.460 0.000 2.681 396 N HA -0.153 4.588 4.740 0.001 0.000 0.259 396 N C -1.452 173.790 175.510 -0.447 0.000 1.066 396 N CA 1.411 54.269 53.050 -0.321 0.000 0.717 396 N CB -1.309 37.204 38.487 0.043 0.000 0.885 396 N HN 0.497 nan 8.380 nan 0.000 0.547 397 H N -3.542 114.953 119.070 -0.959 0.000 3.037 397 H HA 0.505 5.061 4.556 0.001 0.000 0.336 397 H C -0.996 173.787 175.328 -0.910 0.000 1.323 397 H CA -0.892 54.752 56.048 -0.674 0.000 1.159 397 H CB -0.033 29.573 29.762 -0.260 0.000 1.882 397 H HN 0.093 nan 8.280 nan 0.000 0.535 398 W N 1.062 122.234 121.300 -0.214 0.000 2.184 398 W HA 0.404 5.065 4.660 0.001 0.000 0.338 398 W C -0.371 176.115 176.519 -0.055 0.000 1.257 398 W CA 0.368 57.560 57.345 -0.255 0.000 1.243 398 W CB 0.814 30.143 29.460 -0.218 0.000 1.122 398 W HN 0.505 nan 8.180 nan 0.000 0.585 399 D N 1.418 121.922 120.400 0.173 0.000 2.375 399 D HA 0.335 4.976 4.640 0.001 0.000 0.247 399 D C -0.733 175.700 176.300 0.221 0.000 1.061 399 D CA -0.798 53.302 54.000 0.167 0.000 0.834 399 D CB 1.477 42.330 40.800 0.088 0.000 1.247 399 D HN 0.139 nan 8.370 nan 0.000 0.489 400 R N 2.045 122.681 120.500 0.226 0.000 2.288 400 R HA 0.576 4.917 4.340 0.001 0.000 0.326 400 R C -0.497 175.907 176.300 0.174 0.000 0.959 400 R CA -0.426 55.820 56.100 0.244 0.000 0.834 400 R CB 1.093 31.520 30.300 0.212 0.000 1.157 400 R HN 0.256 nan 8.270 nan 0.000 0.470 401 L N 1.712 123.043 121.223 0.180 0.000 2.309 401 L HA 0.487 4.827 4.340 0.001 0.000 0.261 401 L C 0.816 177.780 176.870 0.157 0.000 1.021 401 L CA -0.901 54.038 54.840 0.165 0.000 0.823 401 L CB 2.110 44.294 42.059 0.208 0.000 1.366 401 L HN 0.446 nan 8.230 nan 0.000 0.423 402 K N 0.320 120.801 120.400 0.136 0.000 2.356 402 K HA 0.422 4.742 4.320 0.001 0.000 0.195 402 K C 0.007 176.692 176.600 0.141 0.000 1.037 402 K CA 0.282 56.641 56.287 0.120 0.000 1.014 402 K CB 0.811 33.364 32.500 0.088 0.000 0.815 402 K HN 0.642 nan 8.250 nan 0.000 0.507 403 A N 0.261 123.186 122.820 0.175 0.000 2.609 403 A HA 0.601 4.922 4.320 0.001 0.000 0.291 403 A C -2.184 175.588 177.584 0.313 0.000 1.096 403 A CA -0.672 51.494 52.037 0.214 0.000 0.684 403 A CB 1.316 20.389 19.000 0.122 0.000 1.282 403 A HN 0.236 nan 8.150 nan 0.000 0.412 404 W N 2.206 123.568 121.300 0.104 0.000 3.573 404 W HA 0.498 5.159 4.660 0.001 0.000 0.306 404 W C -2.935 173.640 176.519 0.092 0.000 1.227 404 W CA -1.141 56.237 57.345 0.055 0.000 1.212 404 W CB 1.670 31.115 29.460 -0.025 0.000 1.331 404 W HN 0.770 nan 8.180 nan 0.000 0.524 405 P HA 0.377 nan 4.420 nan 0.000 0.276 405 P C 0.398 177.230 177.300 -0.779 0.000 1.261 405 P CA -0.039 62.227 63.100 -1.391 0.000 0.800 405 P CB 1.443 32.571 31.700 -0.953 0.000 1.066 406 R N -0.615 119.339 120.500 -0.911 0.000 2.173 406 R HA 0.158 4.498 4.340 0.001 0.000 0.208 406 R C 0.897 177.013 176.300 -0.307 0.000 1.035 406 R CA 0.553 56.399 56.100 -0.424 0.000 1.004 406 R CB 0.045 30.154 30.300 -0.319 0.000 0.917 406 R HN 0.430 nan 8.270 nan 0.000 0.462 407 S N -0.097 115.389 115.700 -0.356 0.000 2.547 407 S HA 0.563 5.034 4.470 0.001 0.000 0.281 407 S C -0.875 173.605 174.600 -0.199 0.000 1.118 407 S CA -0.820 57.249 58.200 -0.218 0.000 0.947 407 S CB 1.222 64.324 63.200 -0.162 0.000 1.053 407 S HN 0.376 nan 8.310 nan 0.000 0.482 408 c N 2.100 120.621 118.600 -0.132 0.000 3.284 408 c HA 0.601 5.172 4.570 0.001 0.000 0.348 408 c C 0.922 174.978 174.090 -0.057 0.000 1.448 408 c CA -0.625 55.648 56.329 -0.094 0.000 1.223 408 c CB 0.181 42.630 42.510 -0.103 0.000 1.588 408 c HN 0.684 nan 8.230 nan 0.000 0.451 409 D N 1.468 121.850 120.400 -0.029 0.000 2.149 409 D HA 0.001 4.641 4.640 0.001 0.000 0.198 409 D C 0.441 176.728 176.300 -0.021 0.000 0.990 409 D CA 1.999 55.991 54.000 -0.013 0.000 0.839 409 D CB -0.049 40.763 40.800 0.019 0.000 0.948 409 D HN 0.799 nan 8.370 nan 0.000 0.460 410 K N -3.789 116.596 120.400 -0.025 0.000 2.583 410 K HA 0.513 4.833 4.320 0.001 0.000 0.260 410 K C 0.274 176.856 176.600 -0.031 0.000 0.931 410 K CA -0.495 55.777 56.287 -0.026 0.000 0.849 410 K CB 1.747 34.240 32.500 -0.012 0.000 1.347 410 K HN -0.070 nan 8.250 nan 0.000 0.425 411 G N 0.379 109.159 108.800 -0.034 0.000 2.179 411 G HA2 -0.209 3.751 3.960 0.001 0.000 0.220 411 G HA3 -0.209 3.751 3.960 0.001 0.000 0.220 411 G C 0.030 174.902 174.900 -0.046 0.000 0.990 411 G CA -0.002 45.078 45.100 -0.034 0.000 0.646 411 G HN 0.729 nan 8.290 nan 0.000 0.517 412 c N -0.139 118.424 118.600 -0.062 0.000 2.423 412 c HA 0.824 5.395 4.570 0.001 0.000 0.378 412 c C 2.326 176.373 174.090 -0.071 0.000 1.244 412 c CA 0.267 56.547 56.329 -0.082 0.000 1.978 412 c CB 1.186 43.621 42.510 -0.125 0.000 2.252 412 c HN 0.892 nan 8.230 nan 0.000 0.526 413 A N 0.418 123.192 122.820 -0.076 0.000 1.972 413 A HA 0.342 4.662 4.320 0.001 0.000 0.219 413 A C 0.999 178.544 177.584 -0.065 0.000 1.169 413 A CA 1.981 53.982 52.037 -0.060 0.000 0.635 413 A CB -0.363 18.604 19.000 -0.055 0.000 0.810 413 A HN 1.182 nan 8.150 nan 0.000 0.446 414 A N -1.981 120.789 122.820 -0.084 0.000 2.384 414 A HA 0.666 4.986 4.320 0.001 0.000 0.312 414 A C -0.266 177.268 177.584 -0.084 0.000 1.113 414 A CA -0.318 51.670 52.037 -0.082 0.000 0.779 414 A CB 0.962 19.908 19.000 -0.089 0.000 1.307 414 A HN 0.105 nan 8.150 nan 0.000 0.436 415 T N 1.321 115.829 114.554 -0.077 0.000 2.855 415 T HA 0.505 4.855 4.350 0.001 0.000 0.281 415 T C 0.379 175.037 174.700 -0.071 0.000 1.007 415 T CA -0.184 61.874 62.100 -0.070 0.000 1.009 415 T CB 1.270 70.102 68.868 -0.060 0.000 0.983 415 T HN 0.641 nan 8.240 nan 0.000 0.455 416 S N 2.478 118.143 115.700 -0.058 0.000 2.573 416 S HA 0.211 4.681 4.470 0.001 0.000 0.277 416 S C 0.103 174.674 174.600 -0.048 0.000 1.346 416 S CA -0.241 57.934 58.200 -0.041 0.000 1.034 416 S CB 0.250 63.438 63.200 -0.020 0.000 0.879 416 S HN 0.463 nan 8.310 nan 0.000 0.528 417 K N 2.041 122.428 120.400 -0.022 0.000 2.397 417 K HA 0.388 4.708 4.320 0.001 0.000 0.253 417 K C -2.975 173.648 176.600 0.039 0.000 0.932 417 K CA -2.149 54.127 56.287 -0.018 0.000 0.795 417 K CB 1.725 34.168 32.500 -0.094 0.000 1.159 417 K HN 0.258 nan 8.250 nan 0.000 0.424 418 P HA 0.017 nan 4.420 nan 0.000 0.271 418 P C -1.038 176.058 177.300 -0.339 0.000 1.226 418 P CA -0.450 62.401 63.100 -0.414 0.000 0.765 418 P CB 0.428 31.468 31.700 -1.100 0.000 0.835 419 L N 6.021 127.061 121.223 -0.305 0.000 2.283 419 L HA 0.378 4.719 4.340 0.001 0.000 0.281 419 L C -1.135 175.537 176.870 -0.330 0.000 1.033 419 L CA -0.707 53.882 54.840 -0.418 0.000 0.848 419 L CB -0.387 41.414 42.059 -0.429 0.000 1.226 419 L HN 0.207 nan 8.230 nan 0.000 0.429 420 Y N 4.654 124.870 120.300 -0.140 0.000 2.335 420 Y HA 0.330 4.880 4.550 0.001 0.000 0.331 420 Y C 0.143 175.949 175.900 -0.158 0.000 1.094 420 Y CA -0.374 57.673 58.100 -0.088 0.000 1.253 420 Y CB 0.640 39.053 38.460 -0.078 0.000 1.203 420 Y HN 0.389 nan 8.280 nan 0.000 0.508 421 L N 4.525 125.699 121.223 -0.082 0.000 2.426 421 L HA 0.161 4.502 4.340 0.001 0.000 0.271 421 L C -0.015 176.779 176.870 -0.127 0.000 1.169 421 L CA 0.040 54.655 54.840 -0.376 0.000 0.836 421 L CB 0.265 41.796 42.059 -0.880 0.000 1.112 421 L HN 0.579 nan 8.230 nan 0.000 0.465 422 Q N 1.666 121.483 119.800 0.028 0.000 2.433 422 Q HA 0.674 5.015 4.340 0.001 0.000 0.279 422 Q C -0.619 175.525 176.000 0.241 0.000 1.105 422 Q CA -1.005 54.872 55.803 0.124 0.000 0.815 422 Q CB 1.959 30.751 28.738 0.091 0.000 1.403 422 Q HN 0.686 nan 8.270 nan 0.000 0.435 423 A N -0.095 122.805 122.820 0.134 0.000 2.483 423 A HA 0.464 4.784 4.320 0.001 0.000 0.238 423 A C 1.072 178.700 177.584 0.073 0.000 1.070 423 A CA 1.022 53.117 52.037 0.098 0.000 0.770 423 A CB -0.513 18.497 19.000 0.017 0.000 1.008 423 A HN 1.126 nan 8.150 nan 0.000 0.497 424 G N 0.129 108.946 108.800 0.028 0.000 2.143 424 G HA2 0.197 4.158 3.960 0.001 0.000 0.248 424 G HA3 0.197 4.158 3.960 0.001 0.000 0.248 424 G C 1.540 176.425 174.900 -0.025 0.000 0.991 424 G CA 0.868 45.962 45.100 -0.009 0.000 0.689 424 G HN 2.855 nan 8.290 nan 0.000 0.522 425 G N -1.168 107.605 108.800 -0.043 0.000 2.246 425 G HA2 -0.243 3.718 3.960 0.001 0.000 0.273 425 G HA3 -0.243 3.718 3.960 0.001 0.000 0.273 425 G C 0.266 175.201 174.900 0.059 0.000 1.055 425 G CA 1.388 46.389 45.100 -0.165 0.000 0.851 425 G HN 0.959 nan 8.290 nan 0.000 0.500 426 K N -1.415 119.103 120.400 0.196 0.000 2.210 426 K HA 0.888 5.209 4.320 0.001 0.000 0.236 426 K C -0.542 176.172 176.600 0.191 0.000 1.016 426 K CA -1.059 55.316 56.287 0.147 0.000 0.913 426 K CB 1.554 34.103 32.500 0.082 0.000 1.141 426 K HN 0.210 nan 8.250 nan 0.000 0.462 427 L N 0.490 121.758 121.223 0.075 0.000 2.565 427 L HA 0.388 4.728 4.340 0.001 0.000 0.261 427 L C -1.601 175.222 176.870 -0.079 0.000 0.932 427 L CA 0.195 55.032 54.840 -0.004 0.000 0.878 427 L CB 1.927 43.977 42.059 -0.014 0.000 1.333 427 L HN 0.847 nan 8.230 nan 0.000 0.409 428 S N 2.256 117.883 115.700 -0.121 0.000 2.611 428 S HA 0.523 4.994 4.470 0.001 0.000 0.268 428 S C -0.171 174.335 174.600 -0.156 0.000 1.156 428 S CA -0.596 57.517 58.200 -0.145 0.000 0.817 428 S CB 0.537 63.734 63.200 -0.003 0.000 1.122 428 S HN 0.294 nan 8.310 nan 0.000 0.466 429 F N 0.721 120.716 119.950 0.075 0.000 2.797 429 F HA 0.378 4.906 4.527 0.001 0.000 0.302 429 F C 1.070 176.978 175.800 0.181 0.000 1.130 429 F CA 0.014 58.073 58.000 0.097 0.000 1.387 429 F CB -0.026 38.986 39.000 0.020 0.000 1.107 429 F HN 0.432 nan 8.300 nan 0.000 0.577 430 Q N 0.923 120.871 119.800 0.246 0.000 2.257 430 Q HA 0.302 4.642 4.340 0.001 0.000 0.255 430 Q C -2.320 173.584 176.000 -0.161 0.000 0.920 430 Q CA -2.198 53.652 55.803 0.079 0.000 0.927 430 Q CB 0.725 29.478 28.738 0.025 0.000 1.229 430 Q HN -0.110 nan 8.270 nan 0.000 0.433 431 P HA 0.043 nan 4.420 nan 0.000 0.267 431 P C -2.427 174.564 177.300 -0.515 0.000 1.200 431 P CA -0.953 61.539 63.100 -1.013 0.000 0.772 431 P CB -0.107 31.218 31.700 -0.626 0.000 0.855 432 P HA -0.027 nan 4.420 nan 0.000 0.266 432 P C -0.413 176.800 177.300 -0.144 0.000 1.195 432 P CA 0.157 63.134 63.100 -0.205 0.000 0.768 432 P CB 0.137 31.759 31.700 -0.131 0.000 0.838 433 V N -0.037 119.824 119.914 -0.089 0.000 2.837 433 V HA 0.831 4.951 4.120 0.001 0.000 0.310 433 V C 0.112 176.181 176.094 -0.041 0.000 1.059 433 V CA -1.137 61.125 62.300 -0.063 0.000 1.004 433 V CB 1.109 32.903 31.823 -0.048 0.000 1.045 433 V HN 0.637 nan 8.190 nan 0.000 0.465 434 A N 1.813 124.614 122.820 -0.032 0.000 2.296 434 A HA 0.691 5.011 4.320 0.001 0.000 0.264 434 A C 1.344 178.919 177.584 -0.016 0.000 1.097 434 A CA 0.159 52.185 52.037 -0.018 0.000 0.811 434 A CB -0.025 18.966 19.000 -0.014 0.000 1.072 434 A HN 2.833 nan 8.150 nan 0.000 0.495 435 G N -0.990 107.803 108.800 -0.012 0.000 2.141 435 G HA2 -0.159 3.801 3.960 0.001 0.000 0.231 435 G HA3 -0.159 3.801 3.960 0.001 0.000 0.231 435 G C 0.020 174.908 174.900 -0.020 0.000 0.984 435 G CA 0.659 45.751 45.100 -0.014 0.000 0.660 435 G HN 0.909 nan 8.290 nan 0.000 0.525 436 Q N -0.867 118.920 119.800 -0.023 0.000 2.552 436 Q HA 0.775 5.116 4.340 0.001 0.000 0.289 436 Q C 0.403 176.369 176.000 -0.057 0.000 1.097 436 Q CA -0.354 55.428 55.803 -0.036 0.000 0.812 436 Q CB 1.721 30.442 28.738 -0.028 0.000 1.460 436 Q HN 0.947 nan 8.270 nan 0.000 0.452 437 A N 0.014 122.776 122.820 -0.097 0.000 2.540 437 A HA 0.303 4.624 4.320 0.001 0.000 0.239 437 A C 1.004 178.492 177.584 -0.161 0.000 1.061 437 A CA 0.688 52.609 52.037 -0.193 0.000 0.758 437 A CB -0.209 18.631 19.000 -0.267 0.000 0.991 437 A HN 0.881 nan 8.150 nan 0.000 0.502 438 G N 1.101 109.800 108.800 -0.168 0.000 2.813 438 G HA2 0.368 4.328 3.960 0.001 0.000 0.209 438 G HA3 0.368 4.328 3.960 0.001 0.000 0.209 438 G C 0.130 175.071 174.900 0.068 0.000 1.150 438 G CA 0.946 46.073 45.100 0.045 0.000 0.785 438 G HN 1.114 nan 8.290 nan 0.000 0.535 439 F N -2.503 117.353 119.950 -0.156 0.000 2.741 439 F HA 0.675 5.202 4.527 0.001 0.000 0.311 439 F C -1.214 174.520 175.800 -0.109 0.000 1.149 439 F CA -1.853 55.971 58.000 -0.293 0.000 0.930 439 F CB 0.995 39.474 39.000 -0.870 0.000 1.312 439 F HN -0.198 nan 8.300 nan 0.000 0.450 440 E N 1.094 121.430 120.200 0.227 0.000 2.195 440 E HA 0.351 4.702 4.350 0.001 0.000 0.271 440 E C -1.507 175.309 176.600 0.359 0.000 0.923 440 E CA -0.775 55.760 56.400 0.226 0.000 0.790 440 E CB 2.851 32.704 29.700 0.254 0.000 1.155 440 E HN 0.743 nan 8.360 nan 0.000 0.402 441 E N 2.537 122.927 120.200 0.316 0.000 2.256 441 E HA 0.421 4.772 4.350 0.001 0.000 0.267 441 E C -1.697 175.087 176.600 0.307 0.000 0.892 441 E CA -0.704 55.872 56.400 0.293 0.000 0.775 441 E CB 1.268 31.147 29.700 0.298 0.000 1.207 441 E HN 0.480 nan 8.360 nan 0.000 0.420 442 Y N -0.220 120.151 120.300 0.117 0.000 2.581 442 Y HA 0.569 5.120 4.550 0.001 0.000 0.337 442 Y C -1.845 174.102 175.900 0.077 0.000 1.108 442 Y CA -1.204 56.947 58.100 0.084 0.000 1.033 442 Y CB 0.774 39.281 38.460 0.079 0.000 1.318 442 Y HN 0.148 nan 8.280 nan 0.000 0.459 443 V N 2.627 122.623 119.914 0.137 0.000 2.394 443 V HA 0.487 4.607 4.120 0.001 0.000 0.282 443 V C -0.165 176.000 176.094 0.118 0.000 1.031 443 V CA -0.432 61.892 62.300 0.039 0.000 0.881 443 V CB 1.383 33.235 31.823 0.049 0.000 0.982 443 V HN 0.835 nan 8.190 nan 0.000 0.451 444 S N 3.431 119.148 115.700 0.030 0.000 2.422 444 S HA 0.352 4.822 4.470 0.001 0.000 0.308 444 S C -0.742 173.871 174.600 0.022 0.000 1.097 444 S CA -0.614 57.630 58.200 0.073 0.000 1.099 444 S CB 0.663 63.874 63.200 0.019 0.000 0.976 444 S HN 0.825 nan 8.310 nan 0.000 0.471 445 D N 5.410 125.829 120.400 0.032 0.000 2.414 445 D HA 0.457 5.097 4.640 0.001 0.000 0.232 445 D C -1.829 174.458 176.300 -0.022 0.000 1.070 445 D CA -2.284 51.722 54.000 0.010 0.000 0.839 445 D CB 1.911 42.722 40.800 0.017 0.000 1.079 445 D HN 0.215 nan 8.370 nan 0.000 0.521 446 P HA -0.054 nan 4.420 nan 0.000 0.220 446 P C 0.915 178.102 177.300 -0.190 0.000 1.148 446 P CA 0.868 63.924 63.100 -0.072 0.000 0.803 446 P CB 0.263 32.018 31.700 0.091 0.000 0.782 447 A N -0.716 122.029 122.820 -0.125 0.000 2.119 447 A HA -0.077 4.244 4.320 0.001 0.000 0.217 447 A C 1.176 178.689 177.584 -0.118 0.000 1.153 447 A CA 1.187 53.139 52.037 -0.142 0.000 0.692 447 A CB -0.578 18.379 19.000 -0.071 0.000 0.799 447 A HN 0.160 nan 8.150 nan 0.000 0.458 448 K N 0.505 120.858 120.400 -0.077 0.000 2.954 448 K HA 0.252 4.572 4.320 0.001 0.000 0.171 448 K C -3.003 173.606 176.600 0.015 0.000 1.079 448 K CA -1.678 54.614 56.287 0.009 0.000 0.908 448 K CB 1.659 34.184 32.500 0.042 0.000 1.142 448 K HN 0.228 nan 8.250 nan 0.000 0.613 449 P HA 0.073 nan 4.420 nan 0.000 0.274 449 P C -0.018 177.391 177.300 0.182 0.000 1.246 449 P CA -0.440 62.625 63.100 -0.059 0.000 0.795 449 P CB 0.994 32.450 31.700 -0.407 0.000 1.006 450 V N 3.514 123.532 119.914 0.174 0.000 2.508 450 V HA 0.159 4.280 4.120 0.001 0.000 0.281 450 V C -1.689 174.610 176.094 0.340 0.000 1.041 450 V CA -1.413 61.006 62.300 0.198 0.000 1.016 450 V CB 0.293 32.181 31.823 0.107 0.000 0.984 450 V HN 0.597 nan 8.190 nan 0.000 0.478 451 P HA 0.101 nan 4.420 nan 0.000 0.276 451 P C 0.349 177.898 177.300 0.414 0.000 1.230 451 P CA -0.252 63.122 63.100 0.456 0.000 0.776 451 P CB 0.711 32.589 31.700 0.295 0.000 0.888 452 F N 3.143 123.207 119.950 0.190 0.000 2.615 452 F HA 0.182 4.710 4.527 0.001 0.000 0.297 452 F C 0.220 176.151 175.800 0.218 0.000 1.124 452 F CA -0.091 57.977 58.000 0.113 0.000 1.451 452 F CB -0.475 38.368 39.000 -0.262 0.000 1.103 452 F HN 0.128 nan 8.300 nan 0.000 0.569 453 V N -4.473 115.069 119.914 -0.619 0.000 3.147 453 V HA 0.623 4.744 4.120 0.001 0.000 0.306 453 V C -3.029 172.573 176.094 -0.820 0.000 1.209 453 V CA -2.967 58.778 62.300 -0.925 0.000 1.023 453 V CB 1.208 32.393 31.823 -1.064 0.000 1.059 453 V HN -0.254 nan 8.190 nan 0.000 0.435 454 P HA 0.250 nan 4.420 nan 0.000 0.265 454 P C -0.459 176.614 177.300 -0.379 0.000 1.193 454 P CA 0.164 62.866 63.100 -0.664 0.000 0.765 454 P CB 0.270 31.587 31.700 -0.638 0.000 0.823 455 R N 3.895 124.241 120.500 -0.256 0.000 2.582 455 R HA 0.306 4.646 4.340 0.001 0.000 0.271 455 R C -1.633 174.566 176.300 -0.169 0.000 1.078 455 R CA -1.296 54.666 56.100 -0.230 0.000 1.127 455 R CB -0.430 29.702 30.300 -0.279 0.000 1.038 455 R HN 0.471 nan 8.270 nan 0.000 0.500 456 P HA 0.105 nan 4.420 nan 0.000 0.278 456 P C -0.784 176.373 177.300 -0.238 0.000 1.238 456 P CA -0.367 62.636 63.100 -0.161 0.000 0.794 456 P CB 0.914 32.550 31.700 -0.107 0.000 0.955 457 V N 2.941 122.701 119.914 -0.257 0.000 2.385 457 V HA 0.158 4.279 4.120 0.001 0.000 0.269 457 V C 0.264 176.127 176.094 -0.385 0.000 1.043 457 V CA 0.010 62.112 62.300 -0.329 0.000 0.906 457 V CB 0.701 32.320 31.823 -0.340 0.000 0.995 457 V HN 0.567 nan 8.190 nan 0.000 0.467 458 D N 3.953 124.163 120.400 -0.316 0.000 2.461 458 D HA 0.331 4.972 4.640 0.001 0.000 0.240 458 D C 0.507 176.781 176.300 -0.045 0.000 1.094 458 D CA -0.559 53.294 54.000 -0.246 0.000 0.868 458 D CB 0.911 41.584 40.800 -0.212 0.000 1.062 458 D HN 0.279 nan 8.370 nan 0.000 0.530 459 F N 2.116 122.032 119.950 -0.057 0.000 2.408 459 F HA 0.014 4.542 4.527 0.001 0.000 0.300 459 F C 2.298 178.060 175.800 -0.063 0.000 1.090 459 F CA 0.643 58.590 58.000 -0.087 0.000 1.427 459 F CB -0.589 38.323 39.000 -0.147 0.000 1.070 459 F HN 0.519 nan 8.300 nan 0.000 0.549 460 A N -1.062 121.847 122.820 0.148 0.000 1.970 460 A HA -0.125 4.195 4.320 0.001 0.000 0.216 460 A C 1.009 178.657 177.584 0.106 0.000 1.170 460 A CA 0.695 52.794 52.037 0.104 0.000 0.645 460 A CB -0.594 18.462 19.000 0.095 0.000 0.816 460 A HN 0.141 nan 8.150 nan 0.000 0.447 461 D N 0.281 120.749 120.400 0.113 0.000 2.357 461 D HA 0.037 4.678 4.640 0.001 0.000 0.265 461 D C 1.164 177.562 176.300 0.162 0.000 1.334 461 D CA -0.052 54.015 54.000 0.112 0.000 0.984 461 D CB 0.238 41.089 40.800 0.086 0.000 1.077 461 D HN 0.093 nan 8.370 nan 0.000 0.514 462 R N 2.767 123.351 120.500 0.141 0.000 2.096 462 R HA -0.045 4.296 4.340 0.001 0.000 0.235 462 R C 0.969 177.372 176.300 0.170 0.000 1.127 462 R CA 0.594 56.800 56.100 0.176 0.000 0.968 462 R CB -0.847 29.513 30.300 0.101 0.000 0.861 462 R HN 0.494 nan 8.270 nan 0.000 0.440 466 T N -0.564 114.035 114.554 0.074 0.000 3.035 466 T HA -0.079 4.272 4.350 0.001 0.000 0.268 466 T C 1.290 175.938 174.700 -0.087 0.000 1.109 466 T CA 2.168 64.219 62.100 -0.082 0.000 1.119 466 T CB -0.506 68.368 68.868 0.010 0.000 0.900 466 T HN 0.194 nan 8.240 nan 0.000 0.503 467 T N -2.375 112.173 114.554 -0.010 0.000 3.084 467 T HA 0.163 4.513 4.350 0.001 0.000 0.270 467 T C 1.584 176.287 174.700 0.006 0.000 1.008 467 T CA -0.398 61.672 62.100 -0.051 0.000 0.900 467 T CB -0.635 68.214 68.868 -0.031 0.000 1.084 467 T HN 0.710 nan 8.240 nan 0.000 0.538 468 W N 1.730 123.000 121.300 -0.051 0.000 2.363 468 W HA 0.003 4.664 4.660 0.001 0.000 0.296 468 W C 0.766 177.317 176.519 0.054 0.000 1.212 468 W CA 0.066 57.420 57.345 0.015 0.000 1.260 468 W CB -0.789 28.733 29.460 0.104 0.000 1.131 468 W HN 0.243 nan 8.180 nan 0.000 0.530 469 L N 1.852 122.592 121.223 -0.805 0.000 2.362 469 L HA -0.146 4.195 4.340 0.001 0.000 0.219 469 L C 2.295 178.912 176.870 -0.421 0.000 1.134 469 L CA 1.239 55.574 54.840 -0.842 0.000 0.807 469 L CB -0.437 41.192 42.059 -0.717 0.000 0.927 469 L HN 0.023 nan 8.230 nan 0.000 0.447 470 V N -5.618 114.048 119.914 -0.412 0.000 3.578 470 V HA 0.154 4.275 4.120 0.001 0.000 0.290 470 V C 1.085 177.148 176.094 -0.051 0.000 1.376 470 V CA -0.495 61.565 62.300 -0.400 0.000 1.083 470 V CB -0.676 30.697 31.823 -0.751 0.000 0.911 470 V HN 0.206 nan 8.190 nan 0.000 0.433 471 H N 2.502 121.538 119.070 -0.057 0.000 2.897 471 H HA 0.157 4.713 4.556 0.001 0.000 0.347 471 H C -0.250 175.029 175.328 -0.081 0.000 1.068 471 H CA 0.783 56.818 56.048 -0.022 0.000 1.426 471 H CB 1.109 30.861 29.762 -0.017 0.000 1.410 471 H HN 0.467 nan 8.280 nan 0.000 0.597 472 D N 2.801 123.001 120.400 -0.333 0.000 2.487 472 D HA -0.091 4.550 4.640 0.001 0.000 0.243 472 D C 0.505 176.898 176.300 0.154 0.000 1.154 472 D CA 0.294 53.937 54.000 -0.595 0.000 0.876 472 D CB 0.800 41.064 40.800 -0.895 0.000 1.161 472 D HN 0.497 nan 8.370 nan 0.000 0.478 473 Q N 3.401 123.252 119.800 0.085 0.000 2.320 473 Q HA 0.073 4.414 4.340 0.001 0.000 0.201 473 Q C 1.375 177.367 176.000 -0.013 0.000 0.910 473 Q CA 0.056 55.940 55.803 0.134 0.000 0.946 473 Q CB 0.164 28.943 28.738 0.068 0.000 1.062 473 Q HN 0.518 nan 8.270 nan 0.000 0.503 474 R N 0.191 120.712 120.500 0.036 0.000 2.237 474 R HA -0.087 4.253 4.340 0.001 0.000 0.219 474 R C 1.785 178.093 176.300 0.013 0.000 1.080 474 R CA 0.861 56.959 56.100 -0.003 0.000 0.995 474 R CB -0.312 29.985 30.300 -0.006 0.000 0.875 474 R HN 0.297 nan 8.270 nan 0.000 0.462 475 F N -0.536 119.392 119.950 -0.036 0.000 2.451 475 F HA -0.068 4.460 4.527 0.001 0.000 0.299 475 F C 1.464 177.237 175.800 -0.044 0.000 1.101 475 F CA 0.506 58.478 58.000 -0.047 0.000 1.436 475 F CB -0.243 38.713 39.000 -0.073 0.000 1.074 475 F HN -0.188 nan 8.300 nan 0.000 0.553 476 V N -3.576 115.913 119.914 -0.709 0.000 3.548 476 V HA 0.252 4.372 4.120 0.001 0.000 0.279 476 V C 0.099 176.031 176.094 -0.269 0.000 1.446 476 V CA -0.069 61.919 62.300 -0.520 0.000 1.023 476 V CB -0.544 30.880 31.823 -0.664 0.000 0.820 476 V HN 0.113 nan 8.190 nan 0.000 0.438 477 D N 1.848 122.123 120.400 -0.208 0.000 2.371 477 D HA 0.473 5.113 4.640 0.001 0.000 0.256 477 D C 1.300 177.541 176.300 -0.099 0.000 1.193 477 D CA 1.810 55.734 54.000 -0.126 0.000 0.881 477 D CB 0.717 41.467 40.800 -0.083 0.000 1.143 477 D HN 0.644 nan 8.370 nan 0.000 0.473 478 G N 3.703 112.445 108.800 -0.096 0.000 2.184 478 G HA2 -0.228 3.733 3.960 0.001 0.000 0.206 478 G HA3 -0.228 3.733 3.960 0.001 0.000 0.206 478 G C 0.549 175.407 174.900 -0.069 0.000 0.995 478 G CA -0.337 44.718 45.100 -0.074 0.000 0.651 478 G HN 0.573 nan 8.290 nan 0.000 0.511 479 R N 0.768 121.217 120.500 -0.086 0.000 2.490 479 R HA 0.383 4.723 4.340 0.001 0.000 0.280 479 R C -1.109 175.156 176.300 -0.058 0.000 1.077 479 R CA -1.143 54.917 56.100 -0.066 0.000 1.065 479 R CB 0.990 31.243 30.300 -0.079 0.000 1.003 479 R HN 0.041 nan 8.270 nan 0.000 0.470 480 P HA -0.109 nan 4.420 nan 0.000 0.226 480 P C -0.111 177.208 177.300 0.031 0.000 1.153 480 P CA 1.075 64.178 63.100 0.005 0.000 0.777 480 P CB 0.153 31.871 31.700 0.029 0.000 0.794 481 D N -1.025 119.384 120.400 0.015 0.000 2.395 481 D HA 0.106 4.747 4.640 0.001 0.000 0.226 481 D C -0.170 175.999 176.300 -0.219 0.000 1.146 481 D CA -0.575 53.456 54.000 0.051 0.000 0.830 481 D CB -0.322 40.556 40.800 0.129 0.000 0.958 481 D HN -0.043 nan 8.370 nan 0.000 0.501 482 V N 1.052 120.801 119.914 -0.274 0.000 2.524 482 V HA 0.271 4.391 4.120 0.001 0.000 0.297 482 V C -0.213 175.692 176.094 -0.315 0.000 1.035 482 V CA -0.848 61.261 62.300 -0.318 0.000 0.867 482 V CB 2.102 33.816 31.823 -0.181 0.000 1.004 482 V HN 0.126 nan 8.190 nan 0.000 0.426 483 L N 3.788 124.793 121.223 -0.364 0.000 2.326 483 L HA 0.612 4.952 4.340 0.001 0.000 0.278 483 L C 0.234 176.950 176.870 -0.258 0.000 1.092 483 L CA 0.050 54.714 54.840 -0.294 0.000 0.810 483 L CB 1.604 43.571 42.059 -0.153 0.000 1.153 483 L HN 0.583 nan 8.230 nan 0.000 0.439 484 T N 2.862 117.167 114.554 -0.415 0.000 2.840 484 T HA 0.571 4.922 4.350 0.001 0.000 0.287 484 T C -0.801 173.606 174.700 -0.488 0.000 0.991 484 T CA -0.328 61.603 62.100 -0.281 0.000 0.964 484 T CB 0.678 69.445 68.868 -0.168 0.000 0.954 484 T HN 0.103 nan 8.240 nan 0.000 0.438 485 F N 2.144 122.090 119.950 -0.006 0.000 2.482 485 F HA 0.780 5.308 4.527 0.001 0.000 0.331 485 F C 0.034 175.825 175.800 -0.015 0.000 1.115 485 F CA -0.967 57.028 58.000 -0.009 0.000 0.955 485 F CB 1.829 40.825 39.000 -0.006 0.000 1.136 485 F HN 0.257 nan 8.300 nan 0.000 0.452 486 V N 2.127 122.120 119.914 0.132 0.000 3.012 486 V HA 0.600 4.721 4.120 0.001 0.000 0.307 486 V C -0.501 175.615 176.094 0.037 0.000 1.166 486 V CA -0.512 61.827 62.300 0.065 0.000 0.974 486 V CB 2.511 34.359 31.823 0.042 0.000 1.040 486 V HN 0.911 nan 8.190 nan 0.000 0.428 487 T N 2.239 116.795 114.554 0.005 0.000 2.824 487 T HA 0.567 4.917 4.350 0.001 0.000 0.277 487 T C 0.035 174.744 174.700 0.015 0.000 0.975 487 T CA -0.516 61.580 62.100 -0.008 0.000 0.966 487 T CB 1.131 69.971 68.868 -0.047 0.000 1.054 487 T HN 0.678 nan 8.240 nan 0.000 0.533 488 E N 1.325 121.536 120.200 0.019 0.000 2.371 488 E HA 0.312 4.663 4.350 0.001 0.000 0.257 488 E C -2.315 174.309 176.600 0.039 0.000 1.134 488 E CA -2.111 54.306 56.400 0.028 0.000 0.919 488 E CB -0.063 29.654 29.700 0.027 0.000 1.025 488 E HN 0.486 nan 8.360 nan 0.000 0.438 489 P HA 0.006 nan 4.420 nan 0.000 0.265 489 P C -0.326 177.014 177.300 0.067 0.000 1.193 489 P CA 0.370 63.508 63.100 0.063 0.000 0.765 489 P CB 0.316 32.049 31.700 0.055 0.000 0.823 490 L N 2.418 123.694 121.223 0.088 0.000 2.397 490 L HA 0.168 4.509 4.340 0.001 0.000 0.271 490 L C 1.713 178.626 176.870 0.072 0.000 1.148 490 L CA 0.148 55.038 54.840 0.083 0.000 0.825 490 L CB 0.352 42.472 42.059 0.103 0.000 1.117 490 L HN 0.478 nan 8.230 nan 0.000 0.456 491 T N -2.786 111.803 114.554 0.057 0.000 3.022 491 T HA 0.222 4.572 4.350 0.001 0.000 0.250 491 T C 0.474 175.197 174.700 0.038 0.000 1.060 491 T CA -0.128 61.999 62.100 0.045 0.000 1.013 491 T CB 0.363 69.252 68.868 0.035 0.000 0.982 491 T HN 0.435 nan 8.240 nan 0.000 0.508 492 E N 1.772 121.996 120.200 0.041 0.000 2.317 492 E HA 0.470 4.820 4.350 0.001 0.000 0.270 492 E C -3.101 173.521 176.600 0.036 0.000 0.885 492 E CA -2.600 53.818 56.400 0.029 0.000 0.760 492 E CB 1.943 31.655 29.700 0.020 0.000 1.227 492 E HN 0.065 nan 8.360 nan 0.000 0.434 493 P HA 0.135 nan 4.420 nan 0.000 0.268 493 P C -0.620 176.707 177.300 0.045 0.000 1.205 493 P CA -0.420 62.690 63.100 0.016 0.000 0.771 493 P CB 0.385 32.073 31.700 -0.020 0.000 0.858 494 L N 2.924 124.210 121.223 0.104 0.000 2.342 494 L HA 0.384 4.725 4.340 0.001 0.000 0.276 494 L C -0.465 176.526 176.870 0.203 0.000 0.997 494 L CA -0.287 54.647 54.840 0.157 0.000 0.838 494 L CB 1.256 43.447 42.059 0.219 0.000 1.224 494 L HN 0.276 nan 8.230 nan 0.000 0.416 495 Q N 5.280 125.142 119.800 0.104 0.000 2.290 495 Q HA 0.634 4.974 4.340 0.001 0.000 0.259 495 Q C -0.977 175.084 176.000 0.101 0.000 0.941 495 Q CA -0.660 55.184 55.803 0.068 0.000 0.912 495 Q CB 1.481 30.220 28.738 0.002 0.000 1.244 495 Q HN 0.790 nan 8.270 nan 0.000 0.441 496 I N -0.026 120.625 120.570 0.135 0.000 2.603 496 I HA 0.904 5.074 4.170 0.001 0.000 0.300 496 I C -1.027 175.140 176.117 0.083 0.000 1.017 496 I CA -0.938 60.439 61.300 0.128 0.000 1.098 496 I CB 2.310 40.454 38.000 0.240 0.000 1.279 496 I HN 0.594 nan 8.210 nan 0.000 0.437 497 A N 4.268 127.095 122.820 0.013 0.000 3.158 497 A HA 0.815 5.136 4.320 0.001 0.000 0.302 497 A C -0.213 177.140 177.584 -0.384 0.000 1.162 497 A CA 0.237 52.258 52.037 -0.027 0.000 0.824 497 A CB 0.050 18.997 19.000 -0.089 0.000 1.322 497 A HN 1.478 nan 8.150 nan 0.000 0.510 498 G N -0.229 108.514 108.800 -0.096 0.000 2.356 498 G HA2 0.661 4.622 3.960 0.001 0.000 0.281 498 G HA3 0.661 4.622 3.960 0.001 0.000 0.281 498 G C -0.849 174.075 174.900 0.040 0.000 1.246 498 G CA 0.266 45.263 45.100 -0.172 0.000 0.889 498 G HN 1.674 nan 8.290 nan 0.000 0.486 499 A N 1.176 123.993 122.820 -0.004 0.000 2.256 499 A HA 0.808 5.128 4.320 0.001 0.000 0.317 499 A C -2.431 175.171 177.584 0.030 0.000 1.318 499 A CA -1.299 50.755 52.037 0.029 0.000 0.894 499 A CB 0.504 19.505 19.000 0.001 0.000 1.165 499 A HN 0.344 nan 8.150 nan 0.000 0.525 500 P HA 0.256 nan 4.420 nan 0.000 0.269 500 P C -0.856 176.459 177.300 0.025 0.000 1.209 500 P CA 0.126 63.251 63.100 0.042 0.000 0.776 500 P CB 0.693 32.427 31.700 0.055 0.000 0.876 501 D N 1.394 121.797 120.400 0.005 0.000 2.492 501 D HA 0.253 4.893 4.640 0.001 0.000 0.248 501 D C -0.965 175.251 176.300 -0.140 0.000 1.101 501 D CA -0.437 53.539 54.000 -0.040 0.000 0.840 501 D CB 1.122 41.950 40.800 0.047 0.000 1.209 501 D HN -0.107 nan 8.370 nan 0.000 0.524 502 V N 4.822 124.488 119.914 -0.413 0.000 2.530 502 V HA 0.179 4.299 4.120 0.001 0.000 0.282 502 V C 0.319 176.027 176.094 -0.643 0.000 1.048 502 V CA -0.117 61.824 62.300 -0.599 0.000 0.997 502 V CB 0.954 32.095 31.823 -1.136 0.000 0.987 502 V HN 0.552 nan 8.190 nan 0.000 0.477 503 H N 4.908 123.566 119.070 -0.687 0.000 2.418 503 H HA 0.299 4.856 4.556 0.001 0.000 0.238 503 H C -0.701 174.319 175.328 -0.514 0.000 1.403 503 H CA -0.652 54.982 56.048 -0.691 0.000 1.419 503 H CB 1.526 30.536 29.762 -1.254 0.000 1.463 503 H HN 0.420 nan 8.280 nan 0.000 0.515 504 L N 2.754 123.808 121.223 -0.281 0.000 2.292 504 L HA 0.196 4.537 4.340 0.001 0.000 0.284 504 L C -0.114 176.711 176.870 -0.075 0.000 1.065 504 L CA -0.204 54.525 54.840 -0.184 0.000 0.806 504 L CB 1.204 43.130 42.059 -0.221 0.000 1.175 504 L HN 0.381 nan 8.230 nan 0.000 0.431 505 Q N 5.049 124.825 119.800 -0.041 0.000 2.394 505 Q HA 0.717 5.058 4.340 0.001 0.000 0.259 505 Q C -1.067 174.968 176.000 0.058 0.000 1.021 505 Q CA -0.343 55.468 55.803 0.014 0.000 0.805 505 Q CB 1.748 30.516 28.738 0.050 0.000 1.226 505 Q HN 0.778 nan 8.270 nan 0.000 0.476 506 A N 1.776 124.606 122.820 0.018 0.000 2.572 506 A HA 0.803 5.123 4.320 0.001 0.000 0.295 506 A C -0.688 176.973 177.584 0.127 0.000 1.072 506 A CA -0.546 51.461 52.037 -0.049 0.000 0.691 506 A CB 1.621 20.134 19.000 -0.812 0.000 1.291 506 A HN 0.634 nan 8.150 nan 0.000 0.404 507 S N -0.072 115.758 115.700 0.216 0.000 2.599 507 S HA 0.891 5.361 4.470 0.001 0.000 0.294 507 S C -0.410 174.365 174.600 0.291 0.000 1.094 507 S CA -0.310 58.038 58.200 0.247 0.000 0.931 507 S CB 1.911 65.217 63.200 0.176 0.000 1.093 507 S HN 1.567 nan 8.310 nan 0.000 0.488 508 T N -0.207 114.498 114.554 0.251 0.000 2.900 508 T HA 0.507 4.857 4.350 0.001 0.000 0.295 508 T C 0.978 175.723 174.700 0.075 0.000 1.044 508 T CA -0.026 62.169 62.100 0.159 0.000 0.995 508 T CB 1.514 70.475 68.868 0.154 0.000 1.072 508 T HN 1.015 nan 8.240 nan 0.000 0.473 509 S N 2.171 117.885 115.700 0.024 0.000 2.522 509 S HA 0.260 4.730 4.470 0.001 0.000 0.227 509 S C 1.211 175.820 174.600 0.014 0.000 0.986 509 S CA 0.295 58.502 58.200 0.012 0.000 0.929 509 S CB -0.311 62.886 63.200 -0.004 0.000 0.769 509 S HN 0.897 nan 8.310 nan 0.000 0.529 510 G N 1.157 109.965 108.800 0.013 0.000 2.531 510 G HA2 0.450 4.411 3.960 0.001 0.000 0.253 510 G HA3 0.450 4.411 3.960 0.001 0.000 0.253 510 G C 0.375 175.295 174.900 0.033 0.000 1.439 510 G CA 0.007 45.113 45.100 0.011 0.000 1.056 510 G HN 0.613 nan 8.290 nan 0.000 0.555 511 S N -1.488 114.236 115.700 0.041 0.000 2.819 511 S HA 0.365 4.835 4.470 0.001 0.000 0.249 511 S C -0.404 174.263 174.600 0.112 0.000 1.030 511 S CA -0.204 58.035 58.200 0.065 0.000 1.052 511 S CB 0.523 63.762 63.200 0.066 0.000 1.017 511 S HN 0.512 nan 8.310 nan 0.000 0.576 512 D N -0.233 120.211 120.400 0.073 0.000 2.653 512 D HA 0.673 5.314 4.640 0.001 0.000 0.258 512 D C -1.578 174.685 176.300 -0.063 0.000 1.252 512 D CA 0.082 54.117 54.000 0.057 0.000 0.777 512 D CB 2.035 42.862 40.800 0.046 0.000 1.339 512 D HN 0.038 nan 8.370 nan 0.000 0.422 513 S N 0.405 116.016 115.700 -0.149 0.000 2.614 513 S HA 0.340 4.810 4.470 0.001 0.000 0.280 513 S C -2.054 172.204 174.600 -0.570 0.000 1.111 513 S CA -0.790 57.155 58.200 -0.424 0.000 0.847 513 S CB 1.353 64.144 63.200 -0.683 0.000 1.079 513 S HN 0.371 nan 8.310 nan 0.000 0.452 514 D N 0.637 120.667 120.400 -0.615 0.000 2.181 514 D HA 0.574 5.215 4.640 0.001 0.000 0.248 514 D C -1.178 174.685 176.300 -0.728 0.000 1.020 514 D CA 0.017 53.724 54.000 -0.488 0.000 0.891 514 D CB 0.818 41.465 40.800 -0.255 0.000 1.187 514 D HN 0.421 nan 8.370 nan 0.000 0.443 515 W N 0.988 122.246 121.300 -0.071 0.000 2.619 515 W HA 0.501 5.161 4.660 0.001 0.000 0.327 515 W C -0.928 175.610 176.519 0.032 0.000 1.027 515 W CA -0.899 56.426 57.345 -0.033 0.000 1.233 515 W CB 1.363 30.741 29.460 -0.138 0.000 1.370 515 W HN -0.076 nan 8.180 nan 0.000 0.453 516 V N 4.511 124.615 119.914 0.318 0.000 2.417 516 V HA 0.562 4.683 4.120 0.001 0.000 0.291 516 V C -0.434 175.856 176.094 0.326 0.000 1.024 516 V CA -0.991 61.470 62.300 0.268 0.000 0.861 516 V CB 1.518 33.452 31.823 0.185 0.000 0.985 516 V HN 0.299 nan 8.190 nan 0.000 0.436 517 V N 5.439 125.570 119.914 0.362 0.000 2.531 517 V HA 0.524 4.645 4.120 0.001 0.000 0.301 517 V C -0.358 175.886 176.094 0.249 0.000 1.034 517 V CA -0.959 61.514 62.300 0.287 0.000 0.865 517 V CB 2.015 33.989 31.823 0.253 0.000 0.995 517 V HN 0.863 nan 8.190 nan 0.000 0.424 518 K N 4.485 125.007 120.400 0.204 0.000 2.323 518 K HA 0.632 4.953 4.320 0.001 0.000 0.259 518 K C -1.222 175.477 176.600 0.165 0.000 0.947 518 K CA -0.835 55.568 56.287 0.194 0.000 0.819 518 K CB 2.564 35.180 32.500 0.193 0.000 1.109 518 K HN 0.448 nan 8.250 nan 0.000 0.429 519 L N 4.878 126.199 121.223 0.163 0.000 2.257 519 L HA 0.469 4.809 4.340 0.001 0.000 0.290 519 L C -1.129 175.868 176.870 0.210 0.000 1.044 519 L CA -0.148 54.789 54.840 0.162 0.000 0.810 519 L CB 0.387 42.541 42.059 0.159 0.000 1.193 519 L HN 0.584 nan 8.230 nan 0.000 0.425 520 I N 4.099 124.805 120.570 0.227 0.000 2.569 520 I HA 0.336 4.507 4.170 0.001 0.000 0.296 520 I C -0.848 175.517 176.117 0.412 0.000 1.028 520 I CA -0.698 60.767 61.300 0.275 0.000 1.082 520 I CB 2.060 40.187 38.000 0.212 0.000 1.264 520 I HN 0.519 nan 8.210 nan 0.000 0.429 521 D N 5.840 126.523 120.400 0.471 0.000 2.373 521 D HA 0.257 4.897 4.640 0.001 0.000 0.227 521 D C -0.920 175.696 176.300 0.527 0.000 1.091 521 D CA -0.268 54.103 54.000 0.617 0.000 0.840 521 D CB 1.444 42.538 40.800 0.490 0.000 1.060 521 D HN 0.082 nan 8.370 nan 0.000 0.502 522 V N 5.545 125.716 119.914 0.429 0.000 2.385 522 V HA 0.129 4.250 4.120 0.001 0.000 0.269 522 V C 0.183 176.465 176.094 0.312 0.000 1.043 522 V CA -0.676 61.834 62.300 0.349 0.000 0.906 522 V CB -0.142 31.808 31.823 0.211 0.000 0.995 522 V HN 0.406 nan 8.190 nan 0.000 0.467 523 Y N 5.788 126.137 120.300 0.081 0.000 2.426 523 Y HA 0.235 4.785 4.550 0.001 0.000 0.344 523 Y C -1.656 174.098 175.900 -0.244 0.000 1.256 523 Y CA -1.851 56.100 58.100 -0.247 0.000 1.451 523 Y CB -0.007 38.398 38.460 -0.092 0.000 1.342 523 Y HN 0.465 nan 8.280 nan 0.000 0.600 524 P HA -0.070 nan 4.420 nan 0.000 0.264 524 P C 0.447 177.751 177.300 0.008 0.000 1.183 524 P CA 0.393 63.435 63.100 -0.097 0.000 0.763 524 P CB 0.411 32.053 31.700 -0.096 0.000 0.807 525 E N 1.323 121.536 120.200 0.021 0.000 2.187 525 E HA -0.249 4.102 4.350 0.001 0.000 0.199 525 E C 0.496 177.115 176.600 0.031 0.000 1.004 525 E CA 1.249 57.668 56.400 0.033 0.000 0.813 525 E CB 0.017 29.733 29.700 0.026 0.000 0.736 525 E HN 0.439 nan 8.360 nan 0.000 0.468 529 S N 0.761 116.465 115.700 0.006 0.000 2.489 529 S HA 0.082 4.553 4.470 0.001 0.000 0.228 529 S C 0.651 175.245 174.600 -0.010 0.000 0.995 529 S CA 1.114 59.314 58.200 0.001 0.000 0.934 529 S CB -0.069 63.136 63.200 0.007 0.000 0.771 529 S HN 0.528 nan 8.310 nan 0.000 0.522 530 N N 0.438 119.131 118.700 -0.013 0.000 2.751 530 N HA 0.283 5.024 4.740 0.001 0.000 0.234 530 N C -2.562 172.926 175.510 -0.035 0.000 1.403 530 N CA -1.383 51.646 53.050 -0.036 0.000 0.747 530 N CB 0.804 39.258 38.487 -0.054 0.000 1.326 530 N HN -0.153 nan 8.380 nan 0.000 0.532 531 P HA -0.199 nan 4.420 nan 0.000 0.217 531 P C 0.248 177.538 177.300 -0.016 0.000 1.151 531 P CA 1.403 64.494 63.100 -0.015 0.000 0.849 531 P CB 0.176 31.869 31.700 -0.013 0.000 0.787 535 G N 0.671 109.535 108.800 0.106 0.000 2.162 535 G HA2 -0.249 3.711 3.960 0.001 0.000 0.260 535 G HA3 -0.249 3.711 3.960 0.001 0.000 0.260 535 G C 0.552 175.535 174.900 0.138 0.000 0.976 535 G CA 0.657 45.821 45.100 0.106 0.000 0.655 535 G HN 1.827 nan 8.290 nan 0.000 0.533 536 Y N 1.839 122.137 120.300 -0.003 0.000 2.717 536 Y HA 0.340 4.890 4.550 0.001 0.000 0.330 536 Y C 0.798 176.740 175.900 0.070 0.000 1.217 536 Y CA 0.747 58.809 58.100 -0.063 0.000 1.506 536 Y CB 0.472 38.730 38.460 -0.336 0.000 1.268 536 Y HN 0.335 nan 8.280 nan 0.000 0.561 537 E N 6.778 126.956 120.200 -0.038 0.000 2.042 537 E HA 0.162 4.513 4.350 0.001 0.000 0.260 537 E C -1.314 175.375 176.600 0.149 0.000 0.975 537 E CA -0.698 55.768 56.400 0.111 0.000 0.799 537 E CB 0.487 30.212 29.700 0.042 0.000 1.131 537 E HN 0.417 nan 8.360 nan 0.000 0.423 538 L N 4.924 126.394 121.223 0.411 0.000 2.278 538 L HA 0.331 4.672 4.340 0.001 0.000 0.287 538 L C -2.586 174.456 176.870 0.287 0.000 1.072 538 L CA -2.099 52.987 54.840 0.409 0.000 0.819 538 L CB 0.421 42.791 42.059 0.518 0.000 1.176 538 L HN 0.141 nan 8.230 nan 0.000 0.435 539 P HA 0.100 nan 4.420 nan 0.000 0.280 539 P C 0.655 178.126 177.300 0.285 0.000 1.300 539 P CA -0.175 63.055 63.100 0.217 0.000 0.785 539 P CB 1.062 32.866 31.700 0.173 0.000 0.874 540 V N 1.940 121.974 119.914 0.201 0.000 2.453 540 V HA -0.055 4.065 4.120 0.001 0.000 0.247 540 V C 1.107 177.253 176.094 0.087 0.000 1.048 540 V CA 1.704 64.058 62.300 0.090 0.000 1.049 540 V CB -0.163 31.536 31.823 -0.206 0.000 0.672 540 V HN 0.611 nan 8.190 nan 0.000 0.457 541 S N -0.190 115.583 115.700 0.121 0.000 2.562 541 S HA 0.651 5.121 4.470 0.001 0.000 0.274 541 S C -1.436 173.258 174.600 0.157 0.000 1.160 541 S CA -0.721 57.542 58.200 0.106 0.000 0.933 541 S CB 1.384 64.629 63.200 0.075 0.000 1.100 541 S HN 0.380 nan 8.310 nan 0.000 0.468 542 L N 2.219 123.547 121.223 0.176 0.000 2.469 542 L HA 1.151 5.492 4.340 0.001 0.000 0.256 542 L C -0.758 176.282 176.870 0.284 0.000 1.006 542 L CA -0.668 54.310 54.840 0.231 0.000 0.832 542 L CB 1.378 43.581 42.059 0.239 0.000 1.421 542 L HN 0.894 nan 8.230 nan 0.000 0.410 543 A N 1.836 124.866 122.820 0.350 0.000 2.612 543 A HA 0.833 5.154 4.320 0.001 0.000 0.293 543 A C -1.752 176.031 177.584 0.333 0.000 1.075 543 A CA -0.411 51.860 52.037 0.388 0.000 0.680 543 A CB 1.298 20.630 19.000 0.553 0.000 1.279 543 A HN 1.145 nan 8.150 nan 0.000 0.411 544 I N 0.176 120.835 120.570 0.149 0.000 2.603 544 I HA 0.836 5.007 4.170 0.001 0.000 0.300 544 I C -1.726 174.337 176.117 -0.089 0.000 1.017 544 I CA -1.133 60.131 61.300 -0.060 0.000 1.098 544 I CB 1.608 39.350 38.000 -0.430 0.000 1.279 544 I HN 0.671 nan 8.210 nan 0.000 0.437 545 F N 6.604 126.310 119.950 -0.406 0.000 2.539 545 F HA 0.516 5.043 4.527 0.001 0.000 0.318 545 F C -0.553 175.138 175.800 -0.182 0.000 1.135 545 F CA -0.763 56.968 58.000 -0.449 0.000 0.915 545 F CB 1.234 39.521 39.000 -1.189 0.000 1.176 545 F HN 0.407 nan 8.300 nan 0.000 0.440 546 R N 3.799 124.041 120.500 -0.430 0.000 2.210 546 R HA 0.330 4.670 4.340 0.001 0.000 0.338 546 R C 1.276 177.535 176.300 -0.068 0.000 1.062 546 R CA 0.573 56.566 56.100 -0.179 0.000 0.902 546 R CB 0.789 31.071 30.300 -0.029 0.000 1.050 546 R HN 0.970 nan 8.270 nan 0.000 0.461 547 G N 4.843 113.738 108.800 0.158 0.000 2.475 547 G HA2 -0.350 3.611 3.960 0.001 0.000 0.220 547 G HA3 -0.350 3.611 3.960 0.001 0.000 0.220 547 G C 1.237 176.359 174.900 0.371 0.000 1.125 547 G CA 0.864 46.268 45.100 0.507 0.000 0.755 547 G HN 0.780 nan 8.290 nan 0.000 0.565 548 R N -0.663 119.854 120.500 0.028 0.000 2.241 548 R HA -0.075 4.265 4.340 0.001 0.000 0.224 548 R C 0.991 177.191 176.300 -0.165 0.000 1.101 548 R CA 1.109 57.157 56.100 -0.088 0.000 0.995 548 R CB -0.525 29.631 30.300 -0.239 0.000 0.870 548 R HN 0.432 nan 8.270 nan 0.000 0.463 549 Y N 0.859 121.267 120.300 0.180 0.000 2.532 549 Y HA 0.299 4.850 4.550 0.001 0.000 0.283 549 Y C 2.122 178.101 175.900 0.132 0.000 1.181 549 Y CA -0.896 57.267 58.100 0.104 0.000 1.256 549 Y CB -0.183 38.351 38.460 0.123 0.000 1.112 549 Y HN 0.017 nan 8.280 nan 0.000 0.521 550 R N 1.101 121.842 120.500 0.403 0.000 2.096 550 R HA -0.207 4.134 4.340 0.001 0.000 0.240 550 R C 1.202 177.495 176.300 -0.011 0.000 1.139 550 R CA 2.310 58.570 56.100 0.267 0.000 0.952 550 R CB 0.091 30.384 30.300 -0.012 0.000 0.854 550 R HN 0.445 nan 8.270 nan 0.000 0.436 551 E N -0.943 119.238 120.200 -0.032 0.000 2.276 551 E HA 0.032 4.383 4.350 0.001 0.000 0.193 551 E C 0.047 176.603 176.600 -0.075 0.000 0.983 551 E CA 0.255 56.613 56.400 -0.071 0.000 0.861 551 E CB 0.647 30.313 29.700 -0.056 0.000 0.817 551 E HN 0.079 nan 8.360 nan 0.000 0.485 552 S N -1.135 114.530 115.700 -0.059 0.000 2.548 552 S HA 0.209 4.679 4.470 0.001 0.000 0.278 552 S C -0.551 174.072 174.600 0.039 0.000 1.150 552 S CA -0.705 57.467 58.200 -0.048 0.000 0.907 552 S CB 0.310 63.544 63.200 0.055 0.000 1.108 552 S HN 0.014 nan 8.310 nan 0.000 0.459 553 F N 2.621 122.690 119.950 0.198 0.000 2.367 553 F HA 0.074 4.602 4.527 0.001 0.000 0.298 553 F C 2.757 178.537 175.800 -0.034 0.000 1.094 553 F CA 1.219 59.245 58.000 0.042 0.000 1.409 553 F CB -0.248 38.636 39.000 -0.192 0.000 1.064 553 F HN 0.721 nan 8.300 nan 0.000 0.528 554 S N -2.137 113.695 115.700 0.220 0.000 2.458 554 S HA 0.037 4.507 4.470 0.001 0.000 0.223 554 S C 0.881 175.592 174.600 0.185 0.000 1.019 554 S CA 0.497 58.779 58.200 0.138 0.000 0.937 554 S CB -0.501 62.761 63.200 0.104 0.000 0.788 554 S HN 0.106 nan 8.310 nan 0.000 0.511 555 T N 5.007 119.685 114.554 0.207 0.000 3.060 555 T HA 0.453 4.803 4.350 0.001 0.000 0.367 555 T C -2.931 171.892 174.700 0.205 0.000 1.229 555 T CA -1.395 60.812 62.100 0.178 0.000 1.104 555 T CB 1.577 70.509 68.868 0.108 0.000 1.083 555 T HN 0.275 nan 8.240 nan 0.000 0.524 556 P HA 0.377 nan 4.420 nan 0.000 0.271 556 P C -0.602 176.779 177.300 0.136 0.000 1.218 556 P CA -0.458 62.741 63.100 0.165 0.000 0.780 556 P CB 1.109 32.873 31.700 0.106 0.000 0.901 557 K N 2.014 122.429 120.400 0.025 0.000 2.502 557 K HA 0.452 4.772 4.320 0.001 0.000 0.257 557 K C -2.661 173.690 176.600 -0.416 0.000 0.938 557 K CA -2.194 53.965 56.287 -0.214 0.000 0.819 557 K CB 2.244 34.670 32.500 -0.124 0.000 1.333 557 K HN 0.304 nan 8.250 nan 0.000 0.434 558 P HA 0.082 nan 4.420 nan 0.000 0.271 558 P C -0.634 176.552 177.300 -0.189 0.000 1.218 558 P CA -0.157 62.570 63.100 -0.622 0.000 0.780 558 P CB 0.578 31.881 31.700 -0.663 0.000 0.901 559 L N 2.015 123.225 121.223 -0.021 0.000 2.349 559 L HA 0.183 4.523 4.340 0.001 0.000 0.275 559 L C 0.985 177.869 176.870 0.023 0.000 1.115 559 L CA -0.195 54.682 54.840 0.061 0.000 0.820 559 L CB 0.158 42.339 42.059 0.202 0.000 1.135 559 L HN 0.301 nan 8.230 nan 0.000 0.445 560 T N 2.149 116.707 114.554 0.008 0.000 2.769 560 T HA 0.045 4.395 4.350 0.001 0.000 0.293 560 T C 0.452 175.165 174.700 0.022 0.000 0.931 560 T CA -0.275 61.822 62.100 -0.006 0.000 1.139 560 T CB 0.234 69.086 68.868 -0.026 0.000 0.881 560 T HN 0.574 nan 8.240 nan 0.000 0.532 561 S N 4.854 120.565 115.700 0.017 0.000 2.546 561 S HA 0.016 4.487 4.470 0.001 0.000 0.290 561 S C 1.116 175.728 174.600 0.020 0.000 1.290 561 S CA -0.495 57.721 58.200 0.026 0.000 1.069 561 S CB 0.026 63.235 63.200 0.016 0.000 0.846 561 S HN 0.842 nan 8.310 nan 0.000 0.495 562 N N 0.254 118.970 118.700 0.028 0.000 2.741 562 N HA -0.185 4.556 4.740 0.001 0.000 0.251 562 N C -0.400 175.113 175.510 0.005 0.000 1.112 562 N CA 0.987 54.046 53.050 0.014 0.000 0.750 562 N CB -0.881 37.608 38.487 0.003 0.000 1.119 562 N HN 0.743 nan 8.380 nan 0.000 0.561 563 Q N 0.900 120.705 119.800 0.008 0.000 2.333 563 Q HA 0.501 4.841 4.340 0.001 0.000 0.268 563 Q C -2.790 173.182 176.000 -0.048 0.000 1.007 563 Q CA -1.782 54.002 55.803 -0.032 0.000 0.810 563 Q CB 1.682 30.399 28.738 -0.035 0.000 1.264 563 Q HN -0.085 nan 8.270 nan 0.000 0.452 564 P HA 0.113 nan 4.420 nan 0.000 0.267 564 P C -1.093 176.106 177.300 -0.169 0.000 1.209 564 P CA 0.376 63.318 63.100 -0.263 0.000 0.763 564 P CB 0.441 31.717 31.700 -0.707 0.000 0.816 565 L N 1.978 123.144 121.223 -0.096 0.000 2.388 565 L HA 0.712 5.053 4.340 0.001 0.000 0.264 565 L C 0.095 176.799 176.870 -0.278 0.000 0.998 565 L CA -1.296 53.421 54.840 -0.206 0.000 0.817 565 L CB 2.208 44.106 42.059 -0.268 0.000 1.338 565 L HN 0.230 nan 8.230 nan 0.000 0.414 566 A N 2.108 124.712 122.820 -0.360 0.000 2.320 566 A HA 0.725 5.046 4.320 0.001 0.000 0.287 566 A C -1.115 176.150 177.584 -0.532 0.000 1.181 566 A CA -0.024 51.832 52.037 -0.303 0.000 0.831 566 A CB -0.152 18.728 19.000 -0.199 0.000 1.102 566 A HN 0.443 nan 8.150 nan 0.000 0.513 567 F N 0.746 120.535 119.950 -0.268 0.000 2.495 567 F HA 0.554 5.082 4.527 0.001 0.000 0.327 567 F C 0.440 176.003 175.800 -0.395 0.000 1.103 567 F CA -0.205 57.595 58.000 -0.335 0.000 0.949 567 F CB 2.192 40.992 39.000 -0.334 0.000 1.142 567 F HN 0.620 nan 8.300 nan 0.000 0.457 568 Q N 4.623 124.261 119.800 -0.270 0.000 2.274 568 Q HA 0.613 4.953 4.340 0.001 0.000 0.268 568 Q C -1.841 174.041 176.000 -0.197 0.000 1.015 568 Q CA -0.678 54.887 55.803 -0.397 0.000 0.775 568 Q CB 2.092 30.551 28.738 -0.465 0.000 1.256 568 Q HN 0.638 nan 8.270 nan 0.000 0.442 569 F N -0.141 119.615 119.950 -0.324 0.000 2.678 569 F HA 0.743 5.270 4.527 0.001 0.000 0.308 569 F C -0.406 175.414 175.800 0.034 0.000 1.118 569 F CA -1.035 56.849 58.000 -0.193 0.000 0.959 569 F CB 0.572 39.293 39.000 -0.465 0.000 1.305 569 F HN 0.437 nan 8.300 nan 0.000 0.443 570 G N 2.307 111.355 108.800 0.412 0.000 2.444 570 G HA2 0.562 4.523 3.960 0.001 0.000 0.268 570 G HA3 0.562 4.523 3.960 0.001 0.000 0.268 570 G C -1.091 174.069 174.900 0.433 0.000 1.203 570 G CA -0.861 44.440 45.100 0.334 0.000 0.835 570 G HN 0.798 nan 8.290 nan 0.000 0.543 571 L N 2.069 123.435 121.223 0.239 0.000 2.344 571 L HA 0.347 4.687 4.340 0.001 0.000 0.272 571 L C -1.935 175.046 176.870 0.186 0.000 1.035 571 L CA -1.971 53.014 54.840 0.242 0.000 0.807 571 L CB 2.152 44.300 42.059 0.149 0.000 1.237 571 L HN 0.293 nan 8.230 nan 0.000 0.442 572 P HA -0.035 nan 4.420 nan 0.000 0.266 572 P C -0.399 176.925 177.300 0.039 0.000 1.186 572 P CA 0.111 63.266 63.100 0.092 0.000 0.767 572 P CB 0.272 32.009 31.700 0.061 0.000 0.820 573 T N 1.576 116.136 114.554 0.010 0.000 2.937 573 T HA 0.367 4.717 4.350 0.001 0.000 0.316 573 T C 0.171 174.852 174.700 -0.031 0.000 1.079 573 T CA 0.614 62.734 62.100 0.033 0.000 1.131 573 T CB -0.025 68.871 68.868 0.047 0.000 1.000 573 T HN 0.483 nan 8.240 nan 0.000 0.549 574 A N 2.796 125.646 122.820 0.051 0.000 2.455 574 A HA 0.673 4.994 4.320 0.001 0.000 0.300 574 A C -0.485 177.168 177.584 0.115 0.000 1.040 574 A CA -0.841 51.186 52.037 -0.017 0.000 0.697 574 A CB 1.302 20.299 19.000 -0.005 0.000 1.265 574 A HN 0.651 nan 8.150 nan 0.000 0.407 575 N N 0.960 119.656 118.700 -0.007 0.000 2.804 575 N HA 0.405 5.145 4.740 0.001 0.000 0.251 575 N C -1.405 174.061 175.510 -0.073 0.000 1.250 575 N CA -0.086 52.995 53.050 0.051 0.000 0.820 575 N CB 0.277 38.711 38.487 -0.089 0.000 1.156 575 N HN 0.785 nan 8.380 nan 0.000 0.512 576 H N -0.155 118.808 119.070 -0.178 0.000 2.759 576 H HA 0.495 5.051 4.556 0.001 0.000 0.354 576 H C -1.117 174.017 175.328 -0.323 0.000 1.074 576 H CA -0.342 55.518 56.048 -0.313 0.000 1.226 576 H CB 1.392 30.904 29.762 -0.417 0.000 1.648 576 H HN 0.125 nan 8.280 nan 0.000 0.529 577 T N 6.083 120.187 114.554 -0.750 0.000 2.743 577 T HA 0.243 4.594 4.350 0.001 0.000 0.292 577 T C -0.548 173.743 174.700 -0.682 0.000 0.972 577 T CA -0.428 61.377 62.100 -0.493 0.000 0.967 577 T CB -0.222 68.439 68.868 -0.344 0.000 0.926 577 T HN 0.300 nan 8.240 nan 0.000 0.459 578 F N 3.708 123.528 119.950 -0.217 0.000 2.438 578 F HA 0.239 4.767 4.527 0.001 0.000 0.360 578 F C 1.317 176.949 175.800 -0.279 0.000 1.118 578 F CA -0.691 57.193 58.000 -0.193 0.000 1.164 578 F CB 0.491 39.508 39.000 0.028 0.000 1.131 578 F HN 0.293 nan 8.300 nan 0.000 0.527 579 Q N 4.407 123.939 119.800 -0.446 0.000 2.317 579 Q HA 0.283 4.623 4.340 0.001 0.000 0.229 579 Q C -2.269 173.715 176.000 -0.026 0.000 0.984 579 Q CA -1.979 53.652 55.803 -0.288 0.000 0.911 579 Q CB 0.444 28.941 28.738 -0.401 0.000 1.217 579 Q HN 0.269 nan 8.270 nan 0.000 0.501 580 P HA -0.020 nan 4.420 nan 0.000 0.265 580 P C 0.578 177.985 177.300 0.179 0.000 1.193 580 P CA 1.196 64.355 63.100 0.098 0.000 0.765 580 P CB 0.309 32.044 31.700 0.058 0.000 0.823 581 G N 1.022 109.914 108.800 0.153 0.000 2.258 581 G HA2 -0.197 3.764 3.960 0.001 0.000 0.233 581 G HA3 -0.197 3.764 3.960 0.001 0.000 0.233 581 G C 0.271 175.241 174.900 0.117 0.000 1.006 581 G CA -0.293 44.879 45.100 0.119 0.000 0.620 581 G HN 0.653 nan 8.290 nan 0.000 0.511 582 H N 0.686 119.785 119.070 0.049 0.000 2.544 582 H HA 0.630 5.187 4.556 0.001 0.000 0.365 582 H C 0.566 175.954 175.328 0.100 0.000 1.268 582 H CA -0.034 56.062 56.048 0.081 0.000 1.400 582 H CB 0.766 30.581 29.762 0.087 0.000 1.538 582 H HN 0.307 nan 8.280 nan 0.000 0.597 583 R N 0.250 120.897 120.500 0.244 0.000 2.854 583 R HA 0.479 4.819 4.340 0.001 0.000 0.271 583 R C -0.726 175.646 176.300 0.121 0.000 0.996 583 R CA -0.805 55.378 56.100 0.138 0.000 0.961 583 R CB 1.943 32.300 30.300 0.095 0.000 1.182 583 R HN 0.214 nan 8.270 nan 0.000 0.479 587 Q N 2.238 122.146 119.800 0.180 0.000 2.342 587 Q HA 0.860 5.200 4.340 0.001 0.000 0.267 587 Q C -1.359 174.744 176.000 0.171 0.000 1.038 587 Q CA -0.745 55.146 55.803 0.147 0.000 0.832 587 Q CB 2.966 31.753 28.738 0.081 0.000 1.323 587 Q HN 0.592 nan 8.270 nan 0.000 0.448 588 V N 3.046 123.051 119.914 0.151 0.000 2.588 588 V HA 0.454 4.575 4.120 0.001 0.000 0.304 588 V C -0.480 175.627 176.094 0.022 0.000 1.042 588 V CA -0.614 61.793 62.300 0.178 0.000 0.877 588 V CB 1.661 33.658 31.823 0.289 0.000 0.996 588 V HN 0.828 nan 8.190 nan 0.000 0.425 589 Q N 2.453 122.325 119.800 0.120 0.000 2.693 589 Q HA 0.620 4.961 4.340 0.001 0.000 0.306 589 Q C -0.835 175.298 176.000 0.221 0.000 0.969 589 Q CA -0.871 54.962 55.803 0.050 0.000 0.757 589 Q CB 2.018 30.764 28.738 0.012 0.000 1.494 589 Q HN 0.329 nan 8.270 nan 0.000 0.459 590 S N -0.031 115.779 115.700 0.184 0.000 2.730 590 S HA 0.280 4.750 4.470 0.001 0.000 0.244 590 S C -0.686 173.900 174.600 -0.023 0.000 1.022 590 S CA 0.242 58.449 58.200 0.012 0.000 1.014 590 S CB 0.484 63.630 63.200 -0.090 0.000 0.963 590 S HN 0.608 nan 8.310 nan 0.000 0.540 591 S N 0.740 116.470 115.700 0.051 0.000 2.570 591 S HA 0.795 5.265 4.470 0.001 0.000 0.270 591 S C -1.436 173.254 174.600 0.151 0.000 1.149 591 S CA -0.798 57.448 58.200 0.076 0.000 0.837 591 S CB 2.042 65.278 63.200 0.060 0.000 1.124 591 S HN 0.065 nan 8.310 nan 0.000 0.465 592 L N 1.659 123.013 121.223 0.218 0.000 2.422 592 L HA 0.593 4.934 4.340 0.001 0.000 0.263 592 L C -1.823 175.220 176.870 0.289 0.000 1.372 592 L CA -0.159 54.851 54.840 0.283 0.000 0.857 592 L CB 0.551 42.771 42.059 0.268 0.000 1.024 592 L HN 0.827 nan 8.230 nan 0.000 0.507 593 F N 4.722 124.756 119.950 0.140 0.000 2.507 593 F HA 0.774 5.301 4.527 0.001 0.000 0.327 593 F C -1.680 174.245 175.800 0.208 0.000 1.068 593 F CA -1.875 56.149 58.000 0.039 0.000 0.965 593 F CB 2.194 41.166 39.000 -0.046 0.000 1.192 593 F HN 0.227 nan 8.300 nan 0.000 0.476 594 P HA -0.004 nan 4.420 nan 0.000 0.257 594 P C 1.356 178.086 177.300 -0.951 0.000 1.325 594 P CA 0.307 62.464 63.100 -1.571 0.000 0.850 594 P CB 0.212 31.000 31.700 -1.521 0.000 1.324 595 L N -0.119 120.578 121.223 -0.876 0.000 2.013 595 L HA -0.064 4.276 4.340 0.001 0.000 0.212 595 L C 0.326 176.587 176.870 -1.016 0.000 1.073 595 L CA 1.774 55.951 54.840 -1.105 0.000 0.753 595 L CB -1.232 39.781 42.059 -1.744 0.000 0.890 595 L HN -0.114 nan 8.230 nan 0.000 0.432 596 Y N 0.568 120.595 120.300 -0.454 0.000 2.360 596 Y HA 0.328 4.878 4.550 0.001 0.000 0.337 596 Y C 0.118 175.956 175.900 -0.103 0.000 1.039 596 Y CA -1.860 56.078 58.100 -0.271 0.000 1.109 596 Y CB 0.567 38.936 38.460 -0.153 0.000 1.201 596 Y HN 0.209 nan 8.280 nan 0.000 0.458 597 D N 2.058 122.524 120.400 0.110 0.000 2.382 597 D HA 0.051 4.691 4.640 0.001 0.000 0.240 597 D C -0.460 175.986 176.300 0.244 0.000 1.146 597 D CA -0.405 53.730 54.000 0.225 0.000 0.897 597 D CB 0.707 41.667 40.800 0.266 0.000 1.197 597 D HN 0.480 nan 8.370 nan 0.000 0.432 598 R N 1.118 121.780 120.500 0.271 0.000 2.389 598 R HA 0.153 4.493 4.340 0.001 0.000 0.295 598 R C 0.574 176.959 176.300 0.141 0.000 1.075 598 R CA -0.620 55.578 56.100 0.165 0.000 1.005 598 R CB 0.290 30.627 30.300 0.062 0.000 0.987 598 R HN 0.441 nan 8.270 nan 0.000 0.452 599 N N 4.264 122.983 118.700 0.032 0.000 2.470 599 N HA 0.040 4.780 4.740 0.001 0.000 0.268 599 N C -1.688 173.789 175.510 -0.055 0.000 1.136 599 N CA -1.704 51.314 53.050 -0.053 0.000 0.961 599 N CB 1.197 39.613 38.487 -0.120 0.000 1.067 599 N HN 0.342 nan 8.380 nan 0.000 0.468 600 P HA -0.104 nan 4.420 nan 0.000 0.226 600 P C -0.321 176.881 177.300 -0.164 0.000 1.153 600 P CA 1.067 63.958 63.100 -0.349 0.000 0.777 600 P CB 0.304 31.555 31.700 -0.748 0.000 0.794 601 Q N -1.891 117.829 119.800 -0.133 0.000 2.342 601 Q HA -0.118 4.222 4.340 0.001 0.000 0.196 601 Q C -0.126 175.840 176.000 -0.057 0.000 0.629 601 Q CA 1.203 56.951 55.803 -0.092 0.000 1.365 601 Q CB -2.769 25.920 28.738 -0.082 0.000 1.406 601 Q HN 0.468 nan 8.270 nan 0.000 0.840 602 T N -2.962 111.546 114.554 -0.076 0.000 2.887 602 T HA 0.527 4.878 4.350 0.001 0.000 0.288 602 T C -0.771 173.921 174.700 -0.014 0.000 1.021 602 T CA -0.775 61.310 62.100 -0.026 0.000 1.000 602 T CB 1.514 70.356 68.868 -0.043 0.000 1.034 602 T HN 0.204 nan 8.240 nan 0.000 0.467 603 Y N 3.801 124.061 120.300 -0.067 0.000 2.531 603 Y HA 0.447 4.998 4.550 0.001 0.000 0.347 603 Y C 0.117 175.983 175.900 -0.058 0.000 1.024 603 Y CA -0.287 57.774 58.100 -0.064 0.000 1.306 603 Y CB -0.043 38.391 38.460 -0.043 0.000 1.149 603 Y HN 0.743 nan 8.280 nan 0.000 0.527 604 V N 4.945 124.561 119.914 -0.496 0.000 2.919 604 V HA 0.561 4.681 4.120 0.001 0.000 0.316 604 V C -2.229 173.558 176.094 -0.511 0.000 1.077 604 V CA -2.231 59.857 62.300 -0.354 0.000 0.977 604 V CB 1.646 33.338 31.823 -0.220 0.000 1.039 604 V HN 0.549 nan 8.190 nan 0.000 0.441 605 P HA 0.002 nan 4.420 nan 0.000 0.217 605 P C 0.111 177.345 177.300 -0.109 0.000 1.150 605 P CA 1.273 64.279 63.100 -0.157 0.000 0.832 605 P CB 0.109 31.797 31.700 -0.019 0.000 0.787 606 N N -0.992 117.675 118.700 -0.054 0.000 2.558 606 N HA 0.183 4.924 4.740 0.001 0.000 0.285 606 N C 0.502 175.978 175.510 -0.056 0.000 1.112 606 N CA -0.374 52.678 53.050 0.003 0.000 0.857 606 N CB 0.764 39.349 38.487 0.165 0.000 1.376 606 N HN -0.223 nan 8.380 nan 0.000 0.526 607 I N 2.051 122.529 120.570 -0.152 0.000 2.454 607 I HA -0.205 3.965 4.170 0.001 0.000 0.254 607 I C 1.320 177.338 176.117 -0.166 0.000 1.156 607 I CA 0.945 62.133 61.300 -0.186 0.000 1.433 607 I CB -0.145 37.723 38.000 -0.219 0.000 1.082 607 I HN 0.424 nan 8.210 nan 0.000 0.432 608 F N 0.319 120.113 119.950 -0.259 0.000 2.161 608 F HA -0.193 4.334 4.527 0.001 0.000 0.300 608 F C 1.457 177.032 175.800 -0.375 0.000 1.089 608 F CA 1.472 59.206 58.000 -0.443 0.000 1.282 608 F CB -0.424 37.980 39.000 -0.994 0.000 1.010 608 F HN -0.011 nan 8.300 nan 0.000 0.485 609 F N -0.224 119.869 119.950 0.240 0.000 2.837 609 F HA 0.476 5.004 4.527 0.001 0.000 0.298 609 F C 0.854 176.716 175.800 0.104 0.000 1.161 609 F CA -1.223 56.876 58.000 0.165 0.000 1.353 609 F CB -1.360 37.705 39.000 0.108 0.000 0.951 609 F HN -0.212 nan 8.300 nan 0.000 0.508 610 A N 1.061 123.995 122.820 0.190 0.000 2.511 610 A HA 0.340 4.660 4.320 0.001 0.000 0.242 610 A C 0.684 178.383 177.584 0.192 0.000 1.069 610 A CA -0.288 51.788 52.037 0.063 0.000 0.763 610 A CB 0.379 19.269 19.000 -0.183 0.000 1.001 610 A HN 0.108 nan 8.150 nan 0.000 0.498 611 K N 2.379 122.856 120.400 0.127 0.000 2.090 611 K HA 0.295 4.615 4.320 0.001 0.000 0.249 611 K C -1.945 174.813 176.600 0.264 0.000 0.995 611 K CA -1.964 54.428 56.287 0.175 0.000 0.914 611 K CB 0.317 32.879 32.500 0.103 0.000 1.057 611 K HN 0.271 nan 8.250 nan 0.000 0.462 612 P HA -0.159 nan 4.420 nan 0.000 0.216 612 P C 1.122 178.570 177.300 0.248 0.000 1.150 612 P CA 1.390 64.640 63.100 0.250 0.000 0.843 612 P CB 0.118 31.891 31.700 0.122 0.000 0.787 613 G N -0.897 107.991 108.800 0.146 0.000 2.650 613 G HA2 -0.158 3.802 3.960 0.001 0.000 0.214 613 G HA3 -0.158 3.802 3.960 0.001 0.000 0.214 613 G C 1.022 175.961 174.900 0.066 0.000 1.136 613 G CA 0.316 45.474 45.100 0.096 0.000 0.789 613 G HN 0.177 nan 8.290 nan 0.000 0.536 614 D N -0.295 120.122 120.400 0.028 0.000 2.269 614 D HA -0.002 4.639 4.640 0.001 0.000 0.208 614 D C 0.022 176.212 176.300 -0.183 0.000 0.963 614 D CA 0.314 54.243 54.000 -0.118 0.000 0.864 614 D CB -0.074 40.579 40.800 -0.244 0.000 0.936 614 D HN 0.364 nan 8.370 nan 0.000 0.505 615 Y N 1.682 121.979 120.300 -0.005 0.000 2.480 615 Y HA 0.228 4.779 4.550 0.001 0.000 0.341 615 Y C 0.900 176.788 175.900 -0.020 0.000 1.031 615 Y CA -0.018 58.070 58.100 -0.021 0.000 1.295 615 Y CB 0.465 38.908 38.460 -0.027 0.000 1.162 615 Y HN -0.260 nan 8.280 nan 0.000 0.523 616 Q N 2.674 122.521 119.800 0.079 0.000 2.389 616 Q HA 0.353 4.694 4.340 0.001 0.000 0.277 616 Q C -0.702 175.312 176.000 0.024 0.000 1.082 616 Q CA -1.160 54.669 55.803 0.044 0.000 0.810 616 Q CB 2.753 31.501 28.738 0.016 0.000 1.374 616 Q HN 0.630 nan 8.270 nan 0.000 0.422 617 K N 0.680 121.091 120.400 0.018 0.000 2.336 617 K HA 0.541 4.862 4.320 0.001 0.000 0.262 617 K C -0.425 176.168 176.600 -0.012 0.000 0.992 617 K CA 0.050 56.340 56.287 0.004 0.000 0.927 617 K CB 0.506 33.012 32.500 0.010 0.000 0.956 617 K HN 0.650 nan 8.250 nan 0.000 0.495 618 A N 1.300 124.101 122.820 -0.031 0.000 2.488 618 A HA 0.338 4.659 4.320 0.001 0.000 0.298 618 A C -0.934 176.604 177.584 -0.077 0.000 1.044 618 A CA -0.774 51.233 52.037 -0.049 0.000 0.693 618 A CB 1.553 20.512 19.000 -0.068 0.000 1.272 618 A HN 0.536 nan 8.150 nan 0.000 0.402 619 T N 3.827 118.343 114.554 -0.063 0.000 2.723 619 T HA 0.395 4.746 4.350 0.001 0.000 0.297 619 T C -0.234 174.394 174.700 -0.121 0.000 0.925 619 T CA -0.131 61.918 62.100 -0.084 0.000 1.030 619 T CB 0.285 69.130 68.868 -0.038 0.000 0.905 619 T HN 0.572 nan 8.240 nan 0.000 0.502 620 Q N 3.030 122.669 119.800 -0.268 0.000 2.245 620 Q HA 0.513 4.853 4.340 0.001 0.000 0.256 620 Q C -0.108 175.791 176.000 -0.168 0.000 0.942 620 Q CA -0.505 55.150 55.803 -0.247 0.000 0.896 620 Q CB 2.080 30.416 28.738 -0.669 0.000 1.272 620 Q HN 0.538 nan 8.270 nan 0.000 0.442 621 R N 0.661 121.156 120.500 -0.010 0.000 2.502 621 R HA 0.506 4.847 4.340 0.001 0.000 0.300 621 R C -1.047 175.276 176.300 0.038 0.000 0.984 621 R CA -0.608 55.457 56.100 -0.057 0.000 0.882 621 R CB 1.939 31.982 30.300 -0.429 0.000 1.180 621 R HN 0.282 nan 8.270 nan 0.000 0.444 622 V N 4.712 124.703 119.914 0.129 0.000 2.333 622 V HA 0.247 4.367 4.120 0.001 0.000 0.274 622 V C -0.590 175.574 176.094 0.116 0.000 1.028 622 V CA -0.684 61.704 62.300 0.147 0.000 0.851 622 V CB 0.473 32.450 31.823 0.257 0.000 1.000 622 V HN 0.568 nan 8.190 nan 0.000 0.456 623 Y N 3.862 124.230 120.300 0.114 0.000 2.359 623 Y HA 0.343 4.893 4.550 0.001 0.000 0.330 623 Y C 0.906 176.869 175.900 0.104 0.000 1.143 623 Y CA -0.020 58.171 58.100 0.153 0.000 1.318 623 Y CB 1.347 39.868 38.460 0.103 0.000 1.234 623 Y HN 0.506 nan 8.280 nan 0.000 0.522 624 V N -0.567 119.477 119.914 0.216 0.000 2.967 624 V HA 0.339 4.459 4.120 0.001 0.000 0.364 624 V C -0.051 176.112 176.094 0.114 0.000 1.373 624 V CA -0.287 62.092 62.300 0.131 0.000 1.193 624 V CB -0.583 31.295 31.823 0.092 0.000 1.236 624 V HN 0.597 nan 8.190 nan 0.000 0.582 625 S N -0.133 115.665 115.700 0.164 0.000 2.687 625 S HA 0.695 5.166 4.470 0.001 0.000 0.283 625 S C -1.653 172.982 174.600 0.057 0.000 1.170 625 S CA -1.202 57.065 58.200 0.112 0.000 1.008 625 S CB 1.618 64.922 63.200 0.174 0.000 1.026 625 S HN 0.190 nan 8.310 nan 0.000 0.541 626 P HA -0.034 nan 4.420 nan 0.000 0.218 626 P C 0.728 178.028 177.300 -0.001 0.000 1.148 626 P CA 1.171 64.252 63.100 -0.032 0.000 0.822 626 P CB 0.009 31.685 31.700 -0.040 0.000 0.784 627 E N -0.962 119.254 120.200 0.026 0.000 2.170 627 E HA -0.040 4.311 4.350 0.001 0.000 0.191 627 E C 0.685 177.305 176.600 0.032 0.000 0.981 627 E CA 0.860 57.274 56.400 0.023 0.000 0.830 627 E CB -0.179 29.534 29.700 0.022 0.000 0.775 627 E HN 0.348 nan 8.360 nan 0.000 0.470 628 Q N 0.539 120.377 119.800 0.064 0.000 3.300 628 Q HA 0.229 4.569 4.340 0.001 0.000 0.271 628 Q C -2.568 173.522 176.000 0.150 0.000 0.926 628 Q CA -1.622 54.221 55.803 0.067 0.000 0.788 628 Q CB 1.896 30.616 28.738 -0.029 0.000 1.385 628 Q HN 0.050 nan 8.270 nan 0.000 0.424 629 P HA 0.154 nan 4.420 nan 0.000 0.293 629 P C -0.470 177.015 177.300 0.308 0.000 1.300 629 P CA -0.217 63.030 63.100 0.244 0.000 0.792 629 P CB 1.666 33.530 31.700 0.274 0.000 0.925 630 S N 3.464 119.284 115.700 0.201 0.000 2.513 630 S HA 0.569 5.040 4.470 0.001 0.000 0.276 630 S C -0.308 174.360 174.600 0.113 0.000 1.254 630 S CA -0.037 58.203 58.200 0.068 0.000 1.053 630 S CB -0.255 62.916 63.200 -0.048 0.000 0.958 630 S HN 0.535 nan 8.310 nan 0.000 0.491 631 Y N 0.007 120.240 120.300 -0.112 0.000 2.689 631 Y HA 0.726 5.277 4.550 0.001 0.000 0.333 631 Y C -1.643 174.134 175.900 -0.205 0.000 1.208 631 Y CA -1.475 56.481 58.100 -0.241 0.000 1.055 631 Y CB 0.744 38.904 38.460 -0.500 0.000 1.304 631 Y HN 0.411 nan 8.280 nan 0.000 0.455 632 I N 2.140 122.661 120.570 -0.082 0.000 2.389 632 I HA 0.293 4.463 4.170 0.001 0.000 0.288 632 I C -0.192 175.954 176.117 0.049 0.000 0.999 632 I CA -0.909 60.334 61.300 -0.094 0.000 1.129 632 I CB 2.014 39.961 38.000 -0.089 0.000 1.288 632 I HN 0.727 nan 8.210 nan 0.000 0.444 633 S N 6.967 122.710 115.700 0.071 0.000 2.437 633 S HA 0.243 4.714 4.470 0.001 0.000 0.304 633 S C -0.445 174.190 174.600 0.058 0.000 1.167 633 S CA -0.491 57.766 58.200 0.095 0.000 1.106 633 S CB -0.288 62.973 63.200 0.102 0.000 1.099 633 S HN 0.346 nan 8.310 nan 0.000 0.524 634 L N 8.513 129.779 121.223 0.071 0.000 2.290 634 L HA 0.474 4.815 4.340 0.001 0.000 0.284 634 L C -1.932 174.977 176.870 0.064 0.000 1.078 634 L CA -1.834 53.061 54.840 0.093 0.000 0.815 634 L CB 1.234 43.396 42.059 0.172 0.000 1.162 634 L HN 0.397 nan 8.230 nan 0.000 0.435 635 P HA 0.065 nan 4.420 nan 0.000 0.225 635 P C -0.434 176.858 177.300 -0.013 0.000 1.813 635 P CA -0.102 62.987 63.100 -0.018 0.000 1.013 635 P CB 0.044 31.710 31.700 -0.057 0.000 1.961 636 V N 3.290 123.203 119.914 -0.002 0.000 2.811 636 V HA 0.227 4.348 4.120 0.001 0.000 0.302 636 V C 1.258 177.317 176.094 -0.059 0.000 1.063 636 V CA 0.168 62.459 62.300 -0.014 0.000 1.088 636 V CB 0.406 32.187 31.823 -0.070 0.000 0.982 636 V HN 0.495 nan 8.190 nan 0.000 0.485 637 R N 0.000 120.470 120.500 -0.050 0.000 2.786 637 R HA 0.000 4.341 4.340 0.001 0.000 0.208 637 R CA 0.000 56.063 56.100 -0.061 0.000 0.921 637 R CB 0.000 30.262 30.300 -0.064 0.000 0.687 637 R HN 0.000 nan 8.270 nan 0.000 0.535