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 7jdw_1_A DATA FIRST_RESID 64 DATA SEQUENCE CPVSSYNEWD PLEEVIVGRA ENACVPPFTI EVKANTYEKY WPFYQKQGGH DATA SEQUENCE YFPKDHLKKA VAEIEEMCNI LKTEGVTVRR PDPIDWSLKY KTPDFESTGL DATA SEQUENCE YSAMPRDILI VVGNEIIEAP MAWRSRFFEY RAYRSIIKDY FHRGAKWTTA DATA SEQUENCE PKPTMADELY NQDYPIHSVE DRHKLAAQGK FVTTEFEPCF DAADFIRAGR DATA SEQUENCE DIFAQRSQVT NYLGIEWMRR HLAPDYRVHI ISFKDPNPMH IDATFNIIGP DATA SEQUENCE GIVLSNPDRP CHQIDLFKKA GWTIITPPTP IIPDDHPLWM SSKWLSMNVL DATA SEQUENCE MLDEKRVMVD ANEVPIQKMF EKLGITTIKV NIRNANSLGG GFHCWTCDVR DATA SEQUENCE RRGTLQSYLD 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 64 C HA 0.000 nan 4.460 nan 0.000 0.325 64 C C 0.000 174.960 174.990 -0.050 0.000 1.270 64 C CA 0.000 59.003 59.018 -0.025 0.000 1.963 64 C CB 0.000 27.722 27.740 -0.030 0.000 2.134 65 P HA -0.020 nan 4.420 nan 0.000 0.222 65 P C -1.519 175.622 177.300 -0.265 0.000 1.153 65 P CA 0.918 63.948 63.100 -0.116 0.000 0.798 65 P CB 0.614 32.289 31.700 -0.042 0.000 0.796 66 V N -0.216 119.522 119.914 -0.294 0.000 2.407 66 V HA 0.282 nan 4.120 nan 0.000 0.278 66 V C -1.180 174.785 176.094 -0.216 0.000 1.037 66 V CA -0.636 61.468 62.300 -0.327 0.000 0.900 66 V CB -0.002 31.629 31.823 -0.321 0.000 0.983 66 V HN -0.739 7.294 8.190 -0.211 0.030 0.459 67 S N 7.640 123.200 115.700 -0.233 0.000 2.240 67 S HA 0.125 nan 4.470 nan 0.000 0.234 67 S C -2.236 172.180 174.600 -0.307 0.000 0.850 67 S CA 0.637 58.679 58.200 -0.264 0.000 1.015 67 S CB 1.195 64.312 63.200 -0.139 0.000 1.268 67 S HN 1.006 9.169 8.310 -0.245 0.000 0.384 68 S N 6.562 121.991 115.700 -0.451 0.000 2.668 68 S HA 0.385 nan 4.470 nan 0.000 0.277 68 S C -1.344 172.990 174.600 -0.445 0.000 1.170 68 S CA -0.361 57.633 58.200 -0.343 0.000 0.994 68 S CB 2.130 65.204 63.200 -0.209 0.000 1.051 68 S HN -0.153 7.838 8.310 -0.532 0.000 0.484 69 Y N 5.146 125.419 120.300 -0.045 0.000 2.444 69 Y HA 0.147 nan 4.550 nan 0.000 0.249 69 Y C -1.424 174.442 175.900 -0.056 0.000 1.134 69 Y CA -0.370 57.741 58.100 0.018 0.000 1.261 69 Y CB 1.251 39.765 38.460 0.090 0.000 1.143 69 Y HN 0.560 8.837 8.280 -0.005 0.000 0.523 70 N N -3.850 114.769 118.700 -0.136 0.000 3.364 70 N HA 0.140 nan 4.740 nan 0.000 0.294 70 N C -0.593 174.642 175.510 -0.460 0.000 1.562 70 N CA -0.721 52.053 53.050 -0.460 0.000 0.862 70 N CB 1.098 38.842 38.487 -1.239 0.000 1.691 70 N HN -0.917 7.372 8.380 -0.151 0.000 0.572 71 E N -3.098 116.773 120.200 -0.547 0.000 2.479 71 E HA 0.037 nan 4.350 nan 0.000 0.193 71 E C -0.583 176.033 176.600 0.028 0.000 1.049 71 E CA 1.164 57.520 56.400 -0.074 0.000 0.870 71 E CB 0.099 29.932 29.700 0.221 0.000 0.944 71 E HN 0.115 7.922 8.360 -0.921 0.000 0.492 72 W N -6.036 115.268 121.300 0.007 0.000 2.661 72 W HA 0.255 nan 4.660 nan 0.000 0.288 72 W C -1.110 175.401 176.519 -0.013 0.000 1.014 72 W CA -1.303 56.025 57.345 -0.029 0.000 1.396 72 W CB 0.697 30.103 29.460 -0.090 0.000 0.963 72 W HN -0.626 7.081 8.180 -1.182 -0.236 0.584 73 D N 2.316 122.602 120.400 -0.190 0.000 2.443 73 D HA 0.072 nan 4.640 nan 0.000 0.234 73 D C -1.455 174.856 176.300 0.020 0.000 1.172 73 D CA 0.518 54.512 54.000 -0.011 0.000 0.878 73 D CB -0.233 40.535 40.800 -0.053 0.000 1.204 73 D HN -0.187 8.193 8.370 -0.606 -0.374 0.453 74 P HA -0.183 nan 4.420 nan 0.000 0.255 74 P C -1.399 175.906 177.300 0.009 0.000 1.173 74 P CA 0.743 63.859 63.100 0.027 0.000 0.780 74 P CB -0.195 31.523 31.700 0.031 0.000 0.758 75 L N 5.645 126.871 121.223 0.004 0.000 2.410 75 L HA -0.072 nan 4.340 nan 0.000 0.273 75 L C -0.729 176.140 176.870 -0.001 0.000 1.152 75 L CA 1.061 55.899 54.840 -0.003 0.000 0.855 75 L CB 0.604 42.663 42.059 0.001 0.000 1.129 75 L HN 0.258 8.390 8.230 0.008 0.103 0.463 76 E N 4.202 124.399 120.200 -0.006 0.000 2.414 76 E HA 0.202 nan 4.350 nan 0.000 0.208 76 E C -0.837 175.767 176.600 0.006 0.000 0.820 76 E CA 0.545 56.945 56.400 -0.001 0.000 1.143 76 E CB 3.190 32.888 29.700 -0.004 0.000 1.150 76 E HN 0.700 9.052 8.360 -0.014 0.000 0.540 77 E N -1.551 118.649 120.200 0.000 0.000 2.343 77 E HA 0.690 nan 4.350 nan 0.000 0.278 77 E C -2.830 173.785 176.600 0.025 0.000 0.910 77 E CA -0.660 55.752 56.400 0.021 0.000 0.757 77 E CB 4.306 34.018 29.700 0.021 0.000 1.218 77 E HN -0.555 7.796 8.360 -0.014 0.000 0.435 78 V N 3.948 123.897 119.914 0.059 0.000 3.147 78 V HA 0.721 nan 4.120 nan 0.000 0.306 78 V C -2.385 173.772 176.094 0.105 0.000 1.209 78 V CA -1.760 60.579 62.300 0.065 0.000 1.023 78 V CB 4.596 36.453 31.823 0.057 0.000 1.059 78 V HN 0.850 9.083 8.190 0.073 0.000 0.435 79 I N 5.224 125.864 120.570 0.117 0.000 2.354 79 I HA 0.590 nan 4.170 nan 0.000 0.292 79 I C -1.510 174.700 176.117 0.155 0.000 0.989 79 I CA -1.005 60.388 61.300 0.154 0.000 1.188 79 I CB 2.251 40.370 38.000 0.199 0.000 1.342 79 I HN 0.268 8.533 8.210 0.091 0.000 0.457 80 V N 6.272 126.286 119.914 0.165 0.000 2.417 80 V HA 0.564 nan 4.120 nan 0.000 0.291 80 V C 0.480 176.719 176.094 0.242 0.000 1.024 80 V CA -2.080 60.343 62.300 0.203 0.000 0.861 80 V CB 1.492 33.414 31.823 0.164 0.000 0.985 80 V HN 0.504 8.782 8.190 0.147 0.000 0.436 81 G N 6.539 115.535 108.800 0.326 0.000 2.712 81 G HA2 0.173 nan 3.960 nan 0.000 0.258 81 G HA3 0.173 nan 3.960 nan 0.000 0.258 81 G C -1.884 173.228 174.900 0.354 0.000 1.241 81 G CA 0.030 45.287 45.100 0.261 0.000 0.923 81 G HN 0.779 9.296 8.290 0.378 0.000 0.548 82 R N -0.956 119.682 120.500 0.230 0.000 2.750 82 R HA 0.334 nan 4.340 nan 0.000 0.281 82 R C -0.792 175.656 176.300 0.246 0.000 0.972 82 R CA -1.383 54.872 56.100 0.259 0.000 0.912 82 R CB 3.102 33.506 30.300 0.174 0.000 1.187 82 R HN -0.127 8.073 8.270 0.065 0.109 0.464 83 A N 3.158 126.164 122.820 0.309 0.000 2.169 83 A HA 0.061 nan 4.320 nan 0.000 0.210 83 A C -0.146 177.586 177.584 0.246 0.000 1.168 83 A CA 0.905 53.109 52.037 0.278 0.000 0.813 83 A CB 0.303 19.491 19.000 0.313 0.000 0.861 83 A HN 0.454 8.771 8.150 0.278 0.000 0.481 84 E N 0.269 120.610 120.200 0.235 0.000 2.652 84 E HA -0.258 nan 4.350 nan 0.000 0.255 84 E C -0.602 176.215 176.600 0.362 0.000 0.952 84 E CA 1.396 57.937 56.400 0.235 0.000 0.947 84 E CB -0.586 29.222 29.700 0.180 0.000 0.912 84 E HN -0.012 8.436 8.360 0.215 0.040 0.489 85 N N -2.510 116.374 118.700 0.306 0.000 2.714 85 N HA -0.430 nan 4.740 nan 0.000 0.250 85 N C -1.095 174.900 175.510 0.808 0.000 1.117 85 N CA 0.900 54.240 53.050 0.484 0.000 0.719 85 N CB -1.606 37.161 38.487 0.466 0.000 1.081 85 N HN 0.274 8.756 8.380 0.170 0.000 0.557 86 A N -1.724 121.482 122.820 0.644 0.000 2.546 86 A HA -0.055 nan 4.320 nan 0.000 0.243 86 A C -0.686 177.351 177.584 0.755 0.000 1.063 86 A CA 0.774 53.193 52.037 0.636 0.000 0.757 86 A CB 0.636 19.941 19.000 0.508 0.000 0.991 86 A HN -0.604 7.802 8.150 0.495 0.042 0.503 87 C N 5.102 124.744 119.300 0.571 0.000 2.417 87 C HA 0.625 nan 4.460 nan 0.000 0.324 87 C C -0.070 175.009 174.990 0.148 0.000 1.240 87 C CA -0.064 59.127 59.018 0.289 0.000 1.632 87 C CB 1.922 29.746 27.740 0.139 0.000 2.241 87 C HN 0.365 8.757 8.230 0.463 0.116 0.499 88 V N 5.935 125.626 119.914 -0.371 0.000 2.529 88 V HA 0.148 nan 4.120 nan 0.000 0.292 88 V C -1.310 174.697 176.094 -0.144 0.000 1.028 88 V CA -1.730 60.187 62.300 -0.639 0.000 1.074 88 V CB 0.113 31.332 31.823 -1.007 0.000 0.958 88 V HN 0.826 8.786 8.190 -0.383 0.000 0.481 89 P HA 0.388 nan 4.420 nan 0.000 0.275 89 P C -2.549 174.743 177.300 -0.014 0.000 1.228 89 P CA -2.388 60.743 63.100 0.051 0.000 0.786 89 P CB -0.542 31.211 31.700 0.089 0.000 0.927 90 P HA -0.040 nan 4.420 nan 0.000 0.267 90 P C -1.530 175.721 177.300 -0.081 0.000 1.200 90 P CA 0.203 63.255 63.100 -0.081 0.000 0.772 90 P CB 0.420 32.052 31.700 -0.114 0.000 0.855 91 F N 3.863 123.685 119.950 -0.213 0.000 2.651 91 F HA 0.008 nan 4.527 nan 0.000 0.347 91 F C -0.676 174.930 175.800 -0.323 0.000 1.284 91 F CA -0.646 57.194 58.000 -0.266 0.000 1.175 91 F CB -0.451 38.452 39.000 -0.163 0.000 1.542 91 F HN 0.225 8.580 8.300 0.092 0.000 0.661 92 T N 3.464 117.648 114.554 -0.617 0.000 2.936 92 T HA 0.293 nan 4.350 nan 0.000 0.282 92 T C 0.850 175.037 174.700 -0.854 0.000 1.003 92 T CA -2.151 59.557 62.100 -0.653 0.000 1.005 92 T CB 2.467 70.996 68.868 -0.565 0.000 1.097 92 T HN -0.129 7.733 8.240 -0.579 0.031 0.532 93 I N 1.859 122.006 120.570 -0.707 0.000 2.145 93 I HA -0.386 nan 4.170 nan 0.000 0.244 93 I C 1.168 176.900 176.117 -0.642 0.000 1.075 93 I CA 2.538 63.456 61.300 -0.637 0.000 1.332 93 I CB -0.293 37.449 38.000 -0.429 0.000 1.033 93 I HN 0.252 8.105 8.210 -0.596 0.000 0.410 94 E N -2.206 117.565 120.200 -0.716 0.000 2.204 94 E HA -0.235 nan 4.350 nan 0.000 0.194 94 E C 2.160 178.285 176.600 -0.793 0.000 0.989 94 E CA 3.074 59.097 56.400 -0.628 0.000 0.824 94 E CB -1.187 28.165 29.700 -0.580 0.000 0.756 94 E HN 0.463 8.326 8.360 -0.828 0.000 0.477 95 V N 1.359 120.645 119.914 -1.047 0.000 2.323 95 V HA -0.309 nan 4.120 nan 0.000 0.244 95 V C 2.513 178.206 176.094 -0.669 0.000 1.041 95 V CA 3.524 65.158 62.300 -1.110 0.000 1.025 95 V CB -0.684 30.522 31.823 -1.029 0.000 0.656 95 V HN -0.470 7.009 8.190 -1.007 0.107 0.451 96 K N 0.267 120.159 120.400 -0.846 0.000 2.103 96 K HA -0.311 nan 4.320 nan 0.000 0.207 96 K C 2.253 178.628 176.600 -0.374 0.000 1.048 96 K CA 3.168 58.948 56.287 -0.845 0.000 0.930 96 K CB -0.131 31.572 32.500 -1.329 0.000 0.716 96 K HN -0.026 7.598 8.250 -1.043 0.000 0.444 97 A N -3.811 118.840 122.820 -0.282 0.000 2.206 97 A HA -0.029 nan 4.320 nan 0.000 0.211 97 A C 0.270 177.899 177.584 0.075 0.000 1.158 97 A CA 1.894 53.911 52.037 -0.033 0.000 0.761 97 A CB -0.385 18.575 19.000 -0.066 0.000 0.801 97 A HN -0.094 7.704 8.150 -0.416 0.102 0.473 98 N N -4.740 114.008 118.700 0.080 0.000 2.200 98 N HA 0.190 nan 4.740 nan 0.000 0.224 98 N C -1.885 173.801 175.510 0.293 0.000 1.179 98 N CA -0.445 52.737 53.050 0.220 0.000 0.877 98 N CB 2.004 40.741 38.487 0.415 0.000 1.072 98 N HN -0.439 7.726 8.380 -0.045 0.188 0.519 99 T N -5.039 109.724 114.554 0.348 0.000 2.883 99 T HA 0.332 nan 4.350 nan 0.000 0.296 99 T C -0.959 174.081 174.700 0.566 0.000 1.117 99 T CA -2.189 60.236 62.100 0.541 0.000 1.006 99 T CB 2.844 72.085 68.868 0.620 0.000 1.191 99 T HN -0.921 7.465 8.240 0.337 0.056 0.508 100 Y N 1.150 121.734 120.300 0.473 0.000 2.309 100 Y HA -0.001 nan 4.550 nan 0.000 0.327 100 Y C 1.364 177.086 175.900 -0.297 0.000 1.172 100 Y CA -0.026 58.171 58.100 0.162 0.000 1.280 100 Y CB 0.692 39.274 38.460 0.204 0.000 1.234 100 Y HN 0.322 9.165 8.280 0.939 0.000 0.512 101 E N 4.942 124.663 120.200 -0.799 0.000 2.169 101 E HA -0.515 nan 4.350 nan 0.000 0.202 101 E C 2.177 178.372 176.600 -0.674 0.000 1.016 101 E CA 3.732 59.237 56.400 -1.492 0.000 0.817 101 E CB -0.440 28.659 29.700 -1.001 0.000 0.736 101 E HN 0.634 8.659 8.360 -0.559 0.000 0.462 102 K N -1.126 119.034 120.400 -0.399 0.000 2.160 102 K HA -0.266 nan 4.320 nan 0.000 0.206 102 K C 0.887 177.217 176.600 -0.451 0.000 1.047 102 K CA 2.391 58.407 56.287 -0.453 0.000 0.930 102 K CB -0.306 31.818 32.500 -0.627 0.000 0.720 102 K HN 0.060 8.113 8.250 -0.285 0.026 0.450 103 Y N -6.511 113.878 120.300 0.149 0.000 2.449 103 Y HA 0.156 nan 4.550 nan 0.000 0.254 103 Y C 0.735 176.928 175.900 0.489 0.000 1.140 103 Y CA -0.030 58.277 58.100 0.345 0.000 1.272 103 Y CB 0.061 38.826 38.460 0.509 0.000 1.114 103 Y HN -0.132 8.039 8.280 0.054 0.141 0.525 104 W N 0.049 121.528 121.300 0.298 0.000 2.304 104 W HA -0.203 nan 4.660 nan 0.000 0.315 104 W C -0.599 175.711 176.519 -0.348 0.000 1.233 104 W CA 3.129 60.432 57.345 -0.069 0.000 1.261 104 W CB -2.991 26.511 29.460 0.070 0.000 1.150 104 W HN -0.456 7.769 8.180 0.269 0.117 0.494 105 P HA -0.120 nan 4.420 nan 0.000 0.223 105 P C 1.146 178.431 177.300 -0.025 0.000 1.151 105 P CA 2.454 65.549 63.100 -0.009 0.000 0.787 105 P CB -0.558 31.168 31.700 0.043 0.000 0.788 106 F N 1.218 121.121 119.950 -0.078 0.000 2.128 106 F HA -0.339 nan 4.527 nan 0.000 0.295 106 F C 1.005 176.607 175.800 -0.330 0.000 1.100 106 F CA 3.708 61.603 58.000 -0.175 0.000 1.260 106 F CB 0.148 39.080 39.000 -0.114 0.000 1.009 106 F HN -0.260 8.057 8.300 0.287 0.156 0.476 107 Y N -1.358 118.734 120.300 -0.346 0.000 2.181 107 Y HA -0.527 nan 4.550 nan 0.000 0.288 107 Y C 2.585 178.174 175.900 -0.518 0.000 1.146 107 Y CA 4.390 62.189 58.100 -0.502 0.000 1.164 107 Y CB -0.562 37.742 38.460 -0.259 0.000 0.982 107 Y HN -0.293 7.999 8.280 0.020 0.000 0.515 108 Q N -1.944 117.592 119.800 -0.440 0.000 2.135 108 Q HA -0.338 nan 4.340 nan 0.000 0.204 108 Q C 1.596 177.451 176.000 -0.241 0.000 0.981 108 Q CA 2.786 58.418 55.803 -0.285 0.000 0.856 108 Q CB -0.163 28.427 28.738 -0.246 0.000 0.902 108 Q HN 0.017 7.963 8.270 -0.539 0.000 0.425 109 K N -2.932 117.281 120.400 -0.312 0.000 2.141 109 K HA -0.017 nan 4.320 nan 0.000 0.202 109 K C 1.573 177.862 176.600 -0.518 0.000 1.045 109 K CA 1.550 57.643 56.287 -0.323 0.000 0.971 109 K CB 0.395 32.756 32.500 -0.232 0.000 0.795 109 K HN -0.701 7.241 8.250 -0.336 0.107 0.459 110 Q N -3.079 116.289 119.800 -0.721 0.000 2.432 110 Q HA 0.045 nan 4.340 nan 0.000 0.205 110 Q C 0.956 176.485 176.000 -0.785 0.000 0.945 110 Q CA -0.794 54.462 55.803 -0.910 0.000 0.924 110 Q CB 0.373 28.373 28.738 -1.230 0.000 1.016 110 Q HN 0.317 8.007 8.270 -0.783 0.110 0.503 111 G N -1.542 106.924 108.800 -0.556 0.000 2.109 111 G HA2 -0.370 nan 3.960 nan 0.000 0.249 111 G HA3 -0.370 nan 3.960 nan 0.000 0.249 111 G C -0.133 174.640 174.900 -0.213 0.000 1.126 111 G CA 1.452 46.364 45.100 -0.314 0.000 0.923 111 G HN -0.408 7.520 8.290 -0.521 0.049 0.439 112 G N 5.597 114.312 108.800 -0.142 0.000 2.195 112 G HA2 -0.361 nan 3.960 nan 0.000 0.246 112 G HA3 -0.361 nan 3.960 nan 0.000 0.246 112 G C -0.516 174.394 174.900 0.016 0.000 0.984 112 G CA 0.087 45.160 45.100 -0.044 0.000 0.633 112 G HN 0.621 8.694 8.290 -0.174 0.113 0.525 113 H N 0.212 119.112 119.070 -0.284 0.000 2.559 113 H HA 0.324 nan 4.556 nan 0.000 0.343 113 H C -0.908 174.248 175.328 -0.286 0.000 1.209 113 H CA -1.660 54.222 56.048 -0.277 0.000 1.287 113 H CB 1.291 30.928 29.762 -0.208 0.000 1.650 113 H HN -0.074 8.074 8.280 -0.091 0.078 0.567 114 Y N -2.566 117.779 120.300 0.075 0.000 2.457 114 Y HA -0.089 nan 4.550 nan 0.000 0.341 114 Y C 0.261 176.187 175.900 0.044 0.000 1.240 114 Y CA 1.046 59.210 58.100 0.107 0.000 1.437 114 Y CB 0.506 39.053 38.460 0.145 0.000 1.328 114 Y HN 0.055 8.349 8.280 0.023 0.000 0.588 115 F N 3.711 123.794 119.950 0.221 0.000 2.490 115 F HA -0.022 nan 4.527 nan 0.000 0.336 115 F C -1.099 174.761 175.800 0.100 0.000 1.178 115 F CA -0.178 57.838 58.000 0.027 0.000 1.301 115 F CB -0.122 38.852 39.000 -0.043 0.000 1.175 115 F HN -0.086 8.628 8.300 0.691 0.000 0.593 116 P HA -0.040 nan 4.420 nan 0.000 0.255 116 P C -0.118 177.358 177.300 0.293 0.000 1.161 116 P CA 0.306 63.566 63.100 0.267 0.000 0.768 116 P CB 0.110 32.006 31.700 0.327 0.000 0.746 117 K N 4.517 125.047 120.400 0.217 0.000 2.209 117 K HA -0.378 nan 4.320 nan 0.000 0.204 117 K C 1.306 178.005 176.600 0.166 0.000 1.048 117 K CA 4.000 60.387 56.287 0.167 0.000 0.940 117 K CB -0.391 32.161 32.500 0.086 0.000 0.729 117 K HN 0.624 8.989 8.250 0.192 0.000 0.451 118 D N -3.475 117.029 120.400 0.174 0.000 2.144 118 D HA -0.235 nan 4.640 nan 0.000 0.200 118 D C 1.942 178.344 176.300 0.171 0.000 0.978 118 D CA 3.084 57.167 54.000 0.139 0.000 0.833 118 D CB -0.964 39.906 40.800 0.117 0.000 0.961 118 D HN 0.449 8.928 8.370 0.183 0.000 0.470 119 H N 1.661 120.838 119.070 0.178 0.000 2.357 119 H HA -0.143 nan 4.556 nan 0.000 0.301 119 H C 2.391 177.834 175.328 0.192 0.000 1.082 119 H CA 2.866 59.041 56.048 0.213 0.000 1.342 119 H CB 0.507 30.488 29.762 0.365 0.000 1.389 119 H HN -0.887 7.606 8.280 0.375 0.012 0.511 120 L N -1.485 119.971 121.223 0.389 0.000 2.046 120 L HA -0.461 nan 4.340 nan 0.000 0.208 120 L C 1.653 178.634 176.870 0.185 0.000 1.077 120 L CA 3.143 58.154 54.840 0.285 0.000 0.747 120 L CB -0.367 41.836 42.059 0.242 0.000 0.896 120 L HN 0.073 8.458 8.230 0.380 0.074 0.432 121 K N -0.745 119.740 120.400 0.140 0.000 2.063 121 K HA -0.416 nan 4.320 nan 0.000 0.208 121 K C 2.220 178.853 176.600 0.055 0.000 1.048 121 K CA 3.655 59.991 56.287 0.081 0.000 0.928 121 K CB -0.278 32.260 32.500 0.063 0.000 0.713 121 K HN -0.228 8.116 8.250 0.157 0.000 0.442 122 K N -1.861 118.568 120.400 0.048 0.000 2.097 122 K HA -0.301 nan 4.320 nan 0.000 0.206 122 K C 2.329 178.928 176.600 -0.003 0.000 1.049 122 K CA 2.948 59.234 56.287 -0.001 0.000 0.933 122 K CB -0.192 32.274 32.500 -0.057 0.000 0.717 122 K HN -0.704 7.588 8.250 0.070 0.000 0.442 123 A N -0.149 122.704 122.820 0.055 0.000 1.902 123 A HA -0.184 nan 4.320 nan 0.000 0.217 123 A C 2.228 179.779 177.584 -0.055 0.000 1.181 123 A CA 3.109 55.155 52.037 0.015 0.000 0.623 123 A CB -0.739 18.351 19.000 0.149 0.000 0.818 123 A HN -0.388 7.744 8.150 0.124 0.091 0.443 124 V N -0.645 119.277 119.914 0.013 0.000 2.287 124 V HA -0.526 nan 4.120 nan 0.000 0.248 124 V C 1.965 178.039 176.094 -0.033 0.000 1.053 124 V CA 4.333 66.635 62.300 0.003 0.000 1.027 124 V CB -1.258 30.589 31.823 0.040 0.000 0.646 124 V HN 0.147 8.373 8.190 0.060 0.000 0.447 125 A N -1.771 121.033 122.820 -0.027 0.000 1.883 125 A HA -0.416 nan 4.320 nan 0.000 0.217 125 A C 2.031 179.578 177.584 -0.062 0.000 1.186 125 A CA 3.542 55.559 52.037 -0.035 0.000 0.624 125 A CB -0.875 18.109 19.000 -0.026 0.000 0.822 125 A HN -0.176 7.967 8.150 -0.011 0.000 0.444 126 E N -1.311 118.833 120.200 -0.092 0.000 2.118 126 E HA -0.337 nan 4.350 nan 0.000 0.195 126 E C 2.652 179.151 176.600 -0.168 0.000 0.992 126 E CA 2.935 59.259 56.400 -0.127 0.000 0.804 126 E CB -0.092 29.509 29.700 -0.164 0.000 0.741 126 E HN -0.456 7.854 8.360 -0.084 0.000 0.458 127 I N -1.199 119.234 120.570 -0.228 0.000 2.500 127 I HA -0.277 nan 4.170 nan 0.000 0.252 127 I C 2.226 178.280 176.117 -0.105 0.000 1.142 127 I CA 1.808 62.957 61.300 -0.251 0.000 1.451 127 I CB -1.288 36.491 38.000 -0.369 0.000 1.093 127 I HN 0.085 8.166 8.210 -0.216 0.000 0.430 128 E N 0.105 120.264 120.200 -0.068 0.000 2.072 128 E HA -0.332 nan 4.350 nan 0.000 0.191 128 E C 2.758 179.342 176.600 -0.026 0.000 0.985 128 E CA 3.050 59.432 56.400 -0.030 0.000 0.801 128 E CB -0.780 28.908 29.700 -0.019 0.000 0.750 128 E HN 0.008 8.322 8.360 -0.077 0.000 0.452 129 E N 0.141 120.320 120.200 -0.036 0.000 2.072 129 E HA -0.233 nan 4.350 nan 0.000 0.191 129 E C 2.134 178.723 176.600 -0.018 0.000 0.985 129 E CA 2.243 58.627 56.400 -0.026 0.000 0.801 129 E CB -0.514 29.169 29.700 -0.029 0.000 0.750 129 E HN -0.516 7.815 8.360 -0.049 0.000 0.452 130 M N 0.220 119.808 119.600 -0.019 0.000 2.082 130 M HA -0.431 nan 4.480 nan 0.000 0.258 130 M C 1.933 178.239 176.300 0.010 0.000 1.069 130 M CA 4.095 59.401 55.300 0.011 0.000 1.102 130 M CB 0.023 32.637 32.600 0.022 0.000 1.336 130 M HN -0.458 7.807 8.290 -0.043 0.000 0.404 131 C N -1.470 117.833 119.300 0.006 0.000 2.425 131 C HA -0.429 nan 4.460 nan 0.000 0.277 131 C C 2.180 177.175 174.990 0.008 0.000 1.280 131 C CA 4.058 63.086 59.018 0.016 0.000 1.744 131 C CB -2.225 25.527 27.740 0.020 0.000 1.989 131 C HN 0.126 8.351 8.230 -0.008 0.000 0.491 132 N N 0.534 119.233 118.700 -0.001 0.000 2.084 132 N HA -0.244 nan 4.740 nan 0.000 0.190 132 N C 2.079 177.585 175.510 -0.008 0.000 1.030 132 N CA 3.067 56.115 53.050 -0.004 0.000 0.849 132 N CB -0.564 37.919 38.487 -0.008 0.000 1.012 132 N HN -0.315 7.968 8.380 -0.004 0.095 0.423 133 I N 0.344 120.907 120.570 -0.013 0.000 2.286 133 I HA -0.492 nan 4.170 nan 0.000 0.248 133 I C 1.633 177.737 176.117 -0.022 0.000 1.115 133 I CA 4.062 65.349 61.300 -0.023 0.000 1.392 133 I CB -0.182 37.797 38.000 -0.035 0.000 1.065 133 I HN 0.172 8.375 8.210 -0.011 0.000 0.418 134 L N -0.562 120.654 121.223 -0.012 0.000 2.046 134 L HA -0.510 nan 4.340 nan 0.000 0.208 134 L C 2.037 178.906 176.870 -0.002 0.000 1.077 134 L CA 3.741 58.578 54.840 -0.006 0.000 0.747 134 L CB -0.638 41.428 42.059 0.013 0.000 0.896 134 L HN 0.167 8.321 8.230 -0.004 0.073 0.432 135 K N -1.486 118.915 120.400 0.003 0.000 2.097 135 K HA -0.325 nan 4.320 nan 0.000 0.206 135 K C 3.209 179.808 176.600 -0.002 0.000 1.049 135 K CA 3.597 59.887 56.287 0.004 0.000 0.933 135 K CB -0.423 32.081 32.500 0.007 0.000 0.717 135 K HN -0.184 8.069 8.250 0.004 0.000 0.442 136 T N 2.257 116.806 114.554 -0.007 0.000 2.777 136 T HA -0.169 nan 4.350 nan 0.000 0.266 136 T C 1.439 176.131 174.700 -0.014 0.000 1.040 136 T CA 3.538 65.632 62.100 -0.011 0.000 1.141 136 T CB -0.375 68.484 68.868 -0.016 0.000 0.868 136 T HN -0.273 7.863 8.240 -0.008 0.099 0.444 137 E N -1.814 118.375 120.200 -0.018 0.000 2.512 137 E HA 0.058 nan 4.350 nan 0.000 0.195 137 E C 0.697 177.289 176.600 -0.012 0.000 1.083 137 E CA -0.560 55.827 56.400 -0.021 0.000 0.873 137 E CB -0.375 29.306 29.700 -0.032 0.000 0.897 137 E HN -0.123 8.131 8.360 -0.019 0.094 0.514 138 G N -1.869 106.928 108.800 -0.006 0.000 2.143 138 G HA2 -0.456 nan 3.960 nan 0.000 0.249 138 G HA3 -0.456 nan 3.960 nan 0.000 0.249 138 G C -0.726 174.177 174.900 0.004 0.000 0.981 138 G CA 0.461 45.561 45.100 -0.000 0.000 0.665 138 G HN -0.332 7.734 8.290 -0.006 0.220 0.528 139 V N 0.808 120.726 119.914 0.006 0.000 2.439 139 V HA 0.128 nan 4.120 nan 0.000 0.282 139 V C 0.131 176.238 176.094 0.022 0.000 1.039 139 V CA -0.550 61.758 62.300 0.013 0.000 0.913 139 V CB 0.409 32.240 31.823 0.012 0.000 0.983 139 V HN -0.302 7.852 8.190 0.002 0.037 0.460 140 T N 9.573 124.145 114.554 0.030 0.000 2.794 140 T HA 0.136 nan 4.350 nan 0.000 0.296 140 T C -1.244 173.489 174.700 0.055 0.000 0.949 140 T CA 0.592 62.717 62.100 0.042 0.000 1.101 140 T CB 0.101 69.000 68.868 0.051 0.000 0.905 140 T HN 0.532 8.681 8.240 0.027 0.107 0.516 141 V N 5.980 125.927 119.914 0.053 0.000 2.459 141 V HA 0.546 nan 4.120 nan 0.000 0.295 141 V C -0.552 175.582 176.094 0.067 0.000 1.029 141 V CA -1.063 61.275 62.300 0.064 0.000 0.874 141 V CB 1.636 33.491 31.823 0.053 0.000 0.985 141 V HN 0.346 8.563 8.190 0.044 0.000 0.438 142 R N 6.546 127.098 120.500 0.086 0.000 2.637 142 R HA 0.519 nan 4.340 nan 0.000 0.291 142 R C -1.779 174.566 176.300 0.076 0.000 0.963 142 R CA -2.747 53.395 56.100 0.069 0.000 0.901 142 R CB 3.599 33.947 30.300 0.080 0.000 1.160 142 R HN 0.610 8.942 8.270 0.103 0.000 0.457 143 R N 1.667 122.195 120.500 0.048 0.000 2.740 143 R HA 0.526 nan 4.340 nan 0.000 0.282 143 R C -1.281 175.020 176.300 0.002 0.000 0.969 143 R CA -3.449 52.681 56.100 0.050 0.000 0.918 143 R CB -0.173 30.155 30.300 0.046 0.000 1.175 143 R HN 0.353 8.638 8.270 0.025 0.000 0.464 144 P HA 0.071 nan 4.420 nan 0.000 0.273 144 P C -1.004 176.239 177.300 -0.096 0.000 1.250 144 P CA -0.785 62.201 63.100 -0.190 0.000 0.793 144 P CB 0.758 32.161 31.700 -0.496 0.000 1.011 145 D N 0.548 120.886 120.400 -0.103 0.000 2.372 145 D HA 0.267 nan 4.640 nan 0.000 0.243 145 D C -1.363 174.925 176.300 -0.021 0.000 1.121 145 D CA -0.991 52.977 54.000 -0.053 0.000 0.898 145 D CB -0.498 40.264 40.800 -0.063 0.000 1.202 145 D HN -0.110 8.169 8.370 -0.151 0.000 0.428 146 P HA 0.102 nan 4.420 nan 0.000 0.280 146 P C -1.288 175.970 177.300 -0.070 0.000 1.244 146 P CA 0.033 63.140 63.100 0.013 0.000 0.784 146 P CB 0.683 32.389 31.700 0.011 0.000 0.913 147 I N 0.192 120.685 120.570 -0.128 0.000 2.841 147 I HA 0.044 nan 4.170 nan 0.000 0.298 147 I C -1.858 173.971 176.117 -0.480 0.000 1.304 147 I CA -1.642 59.416 61.300 -0.403 0.000 1.019 147 I CB 4.891 42.435 38.000 -0.761 0.000 1.282 147 I HN -0.476 7.735 8.210 0.001 0.000 0.432 148 D N 4.336 124.515 120.400 -0.368 0.000 2.365 148 D HA 0.078 nan 4.640 nan 0.000 0.237 148 D C 0.189 176.334 176.300 -0.260 0.000 1.190 148 D CA -1.048 52.864 54.000 -0.147 0.000 0.867 148 D CB -0.251 40.544 40.800 -0.007 0.000 1.050 148 D HN 0.134 8.310 8.370 -0.323 0.000 0.491 149 W N 5.105 126.530 121.300 0.209 0.000 3.077 149 W HA -0.048 nan 4.660 nan 0.000 0.245 149 W C 0.495 177.076 176.519 0.104 0.000 1.316 149 W CA 0.669 58.123 57.345 0.182 0.000 1.537 149 W CB -0.233 29.364 29.460 0.228 0.000 1.131 149 W HN 0.198 8.531 8.180 0.254 0.000 0.695 150 S N -1.145 114.637 115.700 0.137 0.000 2.527 150 S HA -0.183 nan 4.470 nan 0.000 0.222 150 S C 0.138 174.733 174.600 -0.009 0.000 0.985 150 S CA 1.505 59.679 58.200 -0.044 0.000 0.921 150 S CB 0.025 63.052 63.200 -0.288 0.000 0.772 150 S HN -0.527 8.057 8.310 0.139 -0.191 0.529 151 L N 2.758 124.002 121.223 0.036 0.000 2.540 151 L HA -0.098 nan 4.340 nan 0.000 0.276 151 L C -1.829 175.074 176.870 0.055 0.000 1.212 151 L CA 0.463 55.322 54.840 0.031 0.000 0.893 151 L CB 0.902 42.974 42.059 0.022 0.000 1.138 151 L HN -1.005 7.205 8.230 0.044 0.045 0.491 152 K N 6.375 126.765 120.400 -0.017 0.000 2.234 152 K HA 0.236 nan 4.320 nan 0.000 0.282 152 K C -0.893 175.687 176.600 -0.033 0.000 1.039 152 K CA -0.684 55.537 56.287 -0.109 0.000 0.928 152 K CB 0.774 33.212 32.500 -0.102 0.000 1.039 152 K HN -0.204 8.032 8.250 -0.024 0.000 0.470 153 Y N 3.411 123.734 120.300 0.038 0.000 2.659 153 Y HA 0.440 nan 4.550 nan 0.000 0.333 153 Y C -2.442 173.440 175.900 -0.031 0.000 1.064 153 Y CA -2.763 55.337 58.100 -0.001 0.000 1.141 153 Y CB 2.991 41.479 38.460 0.047 0.000 1.316 153 Y HN 0.943 8.762 8.280 -0.768 0.000 0.509 154 K N 0.869 121.350 120.400 0.134 0.000 2.615 154 K HA 0.351 nan 4.320 nan 0.000 0.249 154 K C -1.386 175.121 176.600 -0.156 0.000 0.977 154 K CA -0.778 55.464 56.287 -0.076 0.000 0.833 154 K CB 2.263 34.720 32.500 -0.072 0.000 1.208 154 K HN 0.010 8.363 8.250 0.171 0.000 0.443 155 T N 2.409 116.699 114.554 -0.439 0.000 2.923 155 T HA 0.547 nan 4.350 nan 0.000 0.281 155 T C -0.681 173.843 174.700 -0.293 0.000 0.995 155 T CA -3.192 58.660 62.100 -0.414 0.000 0.985 155 T CB -0.590 67.824 68.868 -0.757 0.000 1.114 155 T HN 0.586 8.379 8.240 -0.743 0.000 0.548 156 P HA 0.043 nan 4.420 nan 0.000 0.230 156 P C -0.820 176.438 177.300 -0.070 0.000 1.158 156 P CA 1.453 64.499 63.100 -0.089 0.000 0.769 156 P CB 0.277 31.954 31.700 -0.038 0.000 0.807 157 D N -3.563 116.776 120.400 -0.103 0.000 2.380 157 D HA 0.144 nan 4.640 nan 0.000 0.212 157 D C -0.544 175.835 176.300 0.132 0.000 1.021 157 D CA 1.385 55.411 54.000 0.044 0.000 0.884 157 D CB 2.495 43.406 40.800 0.185 0.000 1.001 157 D HN -0.300 7.866 8.370 -0.220 0.071 0.506 158 F N -6.037 113.899 119.950 -0.023 0.000 2.926 158 F HA 0.391 nan 4.527 nan 0.000 0.321 158 F C -3.298 172.482 175.800 -0.033 0.000 1.168 158 F CA -1.309 56.675 58.000 -0.028 0.000 0.890 158 F CB 1.221 40.212 39.000 -0.015 0.000 1.357 158 F HN -0.837 7.133 8.300 -0.550 0.000 0.468 159 E N -1.310 118.971 120.200 0.135 0.000 2.340 159 E HA 0.701 nan 4.350 nan 0.000 0.273 159 E C -2.197 174.459 176.600 0.094 0.000 0.891 159 E CA -1.386 55.012 56.400 -0.003 0.000 0.757 159 E CB 3.208 32.884 29.700 -0.040 0.000 1.231 159 E HN -0.054 8.496 8.360 0.317 0.000 0.439 160 S N 1.240 116.824 115.700 -0.193 0.000 2.627 160 S HA 0.263 nan 4.470 nan 0.000 0.268 160 S C -2.450 171.766 174.600 -0.640 0.000 1.130 160 S CA -0.384 57.644 58.200 -0.287 0.000 0.819 160 S CB 2.515 65.678 63.200 -0.062 0.000 1.100 160 S HN 0.587 8.673 8.310 -0.373 0.000 0.465 161 T N -1.580 112.779 114.554 -0.324 0.000 2.948 161 T HA 0.855 nan 4.350 nan 0.000 0.285 161 T C -0.126 174.621 174.700 0.078 0.000 1.019 161 T CA -1.909 60.087 62.100 -0.173 0.000 1.013 161 T CB 1.568 70.397 68.868 -0.065 0.000 1.117 161 T HN -0.011 8.118 8.240 -0.185 0.000 0.533 162 G N -0.553 108.465 108.800 0.363 0.000 2.543 162 G HA2 0.543 nan 3.960 nan 0.000 0.290 162 G HA3 0.543 nan 3.960 nan 0.000 0.290 162 G C -1.775 173.327 174.900 0.338 0.000 1.310 162 G CA -0.835 44.609 45.100 0.573 0.000 1.025 162 G HN -0.058 8.430 8.290 0.330 0.000 0.502 163 L N -1.379 119.933 121.223 0.149 0.000 3.076 163 L HA 0.452 nan 4.340 nan 0.000 0.173 163 L C -1.658 174.950 176.870 -0.436 0.000 1.343 163 L CA -0.190 54.552 54.840 -0.163 0.000 0.894 163 L CB 2.603 44.427 42.059 -0.392 0.000 1.372 163 L HN -0.156 8.160 8.230 0.144 0.000 0.565 164 Y N -7.846 111.910 120.300 -0.907 0.000 2.952 164 Y HA 0.322 nan 4.550 nan 0.000 0.346 164 Y C -2.112 173.028 175.900 -1.267 0.000 1.388 164 Y CA -1.958 55.291 58.100 -1.418 0.000 1.097 164 Y CB 0.607 38.774 38.460 -0.488 0.000 1.732 164 Y HN -0.752 6.974 8.280 -0.923 0.000 0.431 165 S N -1.098 114.411 115.700 -0.318 0.000 2.740 165 S HA 0.268 nan 4.470 nan 0.000 0.244 165 S C 0.790 175.283 174.600 -0.177 0.000 1.101 165 S CA -1.809 56.342 58.200 -0.083 0.000 1.123 165 S CB 0.916 64.145 63.200 0.050 0.000 1.012 165 S HN 0.489 8.692 8.310 -0.179 0.000 0.491 166 A N 2.012 124.437 122.820 -0.658 0.000 1.930 166 A HA -0.037 nan 4.320 nan 0.000 0.215 166 A C -0.724 176.228 177.584 -1.053 0.000 1.176 166 A CA 2.514 53.863 52.037 -1.147 0.000 0.632 166 A CB 0.110 17.886 19.000 -2.039 0.000 0.819 166 A HN 0.028 7.623 8.150 -0.810 0.069 0.445 167 M N -4.361 114.832 119.600 -0.678 0.000 2.208 167 M HA 0.419 nan 4.480 nan 0.000 0.352 167 M C -1.989 174.206 176.300 -0.175 0.000 1.137 167 M CA -4.409 50.627 55.300 -0.440 0.000 1.091 167 M CB -1.285 31.098 32.600 -0.363 0.000 1.309 167 M HN -0.302 7.671 8.290 -0.529 0.000 0.408 168 P HA -0.197 nan 4.420 nan 0.000 0.218 168 P C 0.892 178.064 177.300 -0.214 0.000 1.148 168 P CA 2.420 65.449 63.100 -0.119 0.000 0.822 168 P CB -0.028 31.688 31.700 0.026 0.000 0.784 169 R N -3.365 117.023 120.500 -0.185 0.000 2.193 169 R HA -0.273 nan 4.340 nan 0.000 0.229 169 R C 0.766 176.937 176.300 -0.216 0.000 1.110 169 R CA 2.471 58.448 56.100 -0.205 0.000 0.988 169 R CB -0.581 29.581 30.300 -0.231 0.000 0.871 169 R HN -0.601 7.546 8.270 -0.164 0.024 0.458 170 D N -2.936 117.318 120.400 -0.243 0.000 2.224 170 D HA -0.046 nan 4.640 nan 0.000 0.205 170 D C 1.018 177.213 176.300 -0.175 0.000 0.965 170 D CA 2.979 56.825 54.000 -0.257 0.000 0.852 170 D CB 0.680 41.365 40.800 -0.192 0.000 0.947 170 D HN -0.431 7.657 8.370 -0.225 0.147 0.494 171 I N -3.082 117.363 120.570 -0.209 0.000 4.032 171 I HA 0.206 nan 4.170 nan 0.000 0.313 171 I C -1.987 173.992 176.117 -0.230 0.000 1.272 171 I CA 0.348 61.515 61.300 -0.222 0.000 1.307 171 I CB 2.036 39.894 38.000 -0.236 0.000 1.155 171 I HN -0.747 7.183 8.210 -0.245 0.133 0.431 172 L N -1.709 119.361 121.223 -0.255 0.000 2.346 172 L HA 0.590 nan 4.340 nan 0.000 0.276 172 L C -1.752 175.046 176.870 -0.119 0.000 1.006 172 L CA -0.914 53.810 54.840 -0.193 0.000 0.817 172 L CB 2.198 44.111 42.059 -0.243 0.000 1.272 172 L HN -0.311 7.748 8.230 -0.285 0.000 0.421 173 I N 1.221 121.746 120.570 -0.076 0.000 2.619 173 I HA 0.357 nan 4.170 nan 0.000 0.292 173 I C -2.533 173.545 176.117 -0.066 0.000 1.100 173 I CA -1.818 59.449 61.300 -0.056 0.000 1.043 173 I CB 4.415 42.397 38.000 -0.029 0.000 1.239 173 I HN 0.055 8.225 8.210 -0.067 0.000 0.420 174 V N 7.673 127.537 119.914 -0.084 0.000 2.370 174 V HA 0.578 nan 4.120 nan 0.000 0.283 174 V C -1.457 174.544 176.094 -0.155 0.000 1.023 174 V CA -0.718 61.513 62.300 -0.116 0.000 0.857 174 V CB 0.848 32.586 31.823 -0.141 0.000 0.985 174 V HN 0.224 8.367 8.190 -0.077 0.000 0.443 175 V N 6.699 126.501 119.914 -0.186 0.000 2.357 175 V HA 0.566 nan 4.120 nan 0.000 0.281 175 V C 0.373 176.309 176.094 -0.263 0.000 1.015 175 V CA -1.698 60.427 62.300 -0.291 0.000 0.827 175 V CB 0.006 31.571 31.823 -0.429 0.000 1.018 175 V HN 0.577 8.682 8.190 -0.143 0.000 0.432 176 G N 7.998 116.567 108.800 -0.385 0.000 2.531 176 G HA2 -0.425 nan 3.960 nan 0.000 0.274 176 G HA3 -0.425 nan 3.960 nan 0.000 0.274 176 G C -0.537 174.172 174.900 -0.318 0.000 1.159 176 G CA 1.188 46.014 45.100 -0.456 0.000 0.969 176 G HN 0.430 8.430 8.290 -0.482 0.000 0.554 177 N N 4.569 123.196 118.700 -0.123 0.000 2.313 177 N HA 0.007 nan 4.740 nan 0.000 0.207 177 N C -1.638 173.853 175.510 -0.031 0.000 1.141 177 N CA -0.147 52.854 53.050 -0.082 0.000 0.830 177 N CB -0.115 38.362 38.487 -0.017 0.000 1.008 177 N HN 0.235 8.599 8.380 -0.027 0.000 0.481 178 E N 0.340 120.521 120.200 -0.031 0.000 2.158 178 E HA 0.510 nan 4.350 nan 0.000 0.271 178 E C -2.710 173.900 176.600 0.017 0.000 0.911 178 E CA -1.466 54.957 56.400 0.038 0.000 0.767 178 E CB 2.758 32.501 29.700 0.071 0.000 1.120 178 E HN -0.583 7.622 8.360 -0.081 0.107 0.405 179 I N 6.864 127.475 120.570 0.070 0.000 2.336 179 I HA 0.670 nan 4.170 nan 0.000 0.292 179 I C -2.284 173.903 176.117 0.117 0.000 0.991 179 I CA -1.208 60.120 61.300 0.045 0.000 1.227 179 I CB 2.347 40.357 38.000 0.017 0.000 1.366 179 I HN 0.654 8.941 8.210 0.129 0.000 0.466 180 I N 9.090 129.696 120.570 0.061 0.000 2.406 180 I HA 0.391 nan 4.170 nan 0.000 0.290 180 I C -1.570 174.546 176.117 -0.002 0.000 0.999 180 I CA -1.116 60.222 61.300 0.063 0.000 1.124 180 I CB 1.741 39.777 38.000 0.060 0.000 1.289 180 I HN 0.882 9.099 8.210 0.012 0.000 0.441 181 E N 6.817 127.002 120.200 -0.024 0.000 2.146 181 E HA 0.413 nan 4.350 nan 0.000 0.282 181 E C -0.978 175.464 176.600 -0.263 0.000 0.989 181 E CA -1.543 54.789 56.400 -0.114 0.000 0.799 181 E CB 1.157 30.814 29.700 -0.071 0.000 1.088 181 E HN 0.479 8.741 8.360 0.013 0.106 0.397 182 A N 6.200 128.833 122.820 -0.312 0.000 2.425 182 A HA 0.113 nan 4.320 nan 0.000 0.242 182 A C -1.856 175.341 177.584 -0.644 0.000 1.077 182 A CA -1.528 50.136 52.037 -0.621 0.000 0.781 182 A CB -0.916 17.815 19.000 -0.448 0.000 1.020 182 A HN 0.775 8.677 8.150 -0.227 0.111 0.494 183 P HA -0.036 nan 4.420 nan 0.000 0.218 183 P C -0.817 176.232 177.300 -0.418 0.000 1.152 183 P CA 1.024 63.749 63.100 -0.625 0.000 0.826 183 P CB 0.456 31.769 31.700 -0.645 0.000 0.790 184 M N -5.073 114.308 119.600 -0.366 0.000 7.319 184 M HA -0.419 nan 4.480 nan 0.000 0.156 184 M C -0.844 175.423 176.300 -0.056 0.000 0.480 184 M CA 0.847 56.047 55.300 -0.167 0.000 1.311 184 M CB -1.690 30.844 32.600 -0.110 0.000 0.421 184 M HN 0.032 8.009 8.290 -0.522 0.000 0.210 185 A N -2.084 120.784 122.820 0.081 0.000 2.606 185 A HA 0.314 nan 4.320 nan 0.000 0.230 185 A C -1.641 176.192 177.584 0.415 0.000 1.279 185 A CA 0.243 52.408 52.037 0.213 0.000 1.010 185 A CB 1.711 20.841 19.000 0.217 0.000 1.271 185 A HN 0.395 8.584 8.150 0.065 0.000 0.584 186 W N -2.048 119.273 121.300 0.034 0.000 2.417 186 W HA 0.404 nan 4.660 nan 0.000 0.317 186 W C 1.218 177.721 176.519 -0.027 0.000 1.121 186 W CA -2.113 55.215 57.345 -0.027 0.000 1.208 186 W CB 0.655 30.088 29.460 -0.044 0.000 1.253 186 W HN -0.620 7.758 8.180 0.331 0.000 0.533 187 R N 4.468 124.963 120.500 -0.009 0.000 2.120 187 R HA -0.352 nan 4.340 nan 0.000 0.234 187 R C 1.963 178.391 176.300 0.214 0.000 1.123 187 R CA 3.766 59.742 56.100 -0.207 0.000 0.975 187 R CB -0.094 29.807 30.300 -0.665 0.000 0.866 187 R HN 0.576 9.076 8.270 -0.176 -0.335 0.446 188 S N -2.804 113.035 115.700 0.231 0.000 2.607 188 S HA -0.059 nan 4.470 nan 0.000 0.224 188 S C 1.049 175.904 174.600 0.425 0.000 0.969 188 S CA 1.553 59.964 58.200 0.353 0.000 0.927 188 S CB -0.398 62.930 63.200 0.214 0.000 0.772 188 S HN 0.194 8.566 8.310 0.136 0.019 0.533 189 R N 0.122 120.851 120.500 0.381 0.000 2.565 189 R HA 0.159 nan 4.340 nan 0.000 0.347 189 R C 0.399 176.841 176.300 0.237 0.000 1.010 189 R CA -0.771 55.474 56.100 0.241 0.000 1.126 189 R CB -0.070 30.287 30.300 0.094 0.000 1.331 189 R HN -0.397 7.910 8.270 0.385 0.194 0.552 190 F N 3.083 123.131 119.950 0.163 0.000 2.095 190 F HA -0.341 nan 4.527 nan 0.000 0.298 190 F C -0.118 175.536 175.800 -0.243 0.000 1.104 190 F CA 4.454 62.424 58.000 -0.049 0.000 1.232 190 F CB 0.564 39.546 39.000 -0.030 0.000 0.987 190 F HN -0.753 7.837 8.300 0.588 0.063 0.475 191 F N -4.772 115.264 119.950 0.145 0.000 2.668 191 F HA 0.109 nan 4.527 nan 0.000 0.297 191 F C 0.947 176.646 175.800 -0.168 0.000 1.124 191 F CA -1.127 56.749 58.000 -0.207 0.000 1.353 191 F CB -0.835 37.959 39.000 -0.344 0.000 0.992 191 F HN -0.465 7.971 8.300 0.228 0.000 0.524 192 E N 2.381 122.698 120.200 0.196 0.000 2.153 192 E HA -0.373 nan 4.350 nan 0.000 0.194 192 E C 1.532 178.338 176.600 0.345 0.000 0.988 192 E CA 3.521 60.101 56.400 0.300 0.000 0.811 192 E CB -0.175 29.608 29.700 0.138 0.000 0.746 192 E HN -0.504 7.776 8.360 0.166 0.180 0.466 193 Y N -4.132 116.340 120.300 0.287 0.000 2.384 193 Y HA -0.294 nan 4.550 nan 0.000 0.289 193 Y C 1.939 178.041 175.900 0.336 0.000 1.152 193 Y CA 1.203 59.478 58.100 0.293 0.000 1.258 193 Y CB -1.114 37.420 38.460 0.124 0.000 0.979 193 Y HN -0.124 8.278 8.280 0.241 0.023 0.549 194 R N -0.142 120.284 120.500 -0.124 0.000 2.127 194 R HA -0.396 nan 4.340 nan 0.000 0.238 194 R C 2.020 178.361 176.300 0.067 0.000 1.134 194 R CA 2.749 58.831 56.100 -0.029 0.000 0.975 194 R CB -0.639 29.555 30.300 -0.176 0.000 0.865 194 R HN -0.488 7.449 8.270 -0.483 0.044 0.447 195 A N -1.779 121.115 122.820 0.123 0.000 2.066 195 A HA -0.065 nan 4.320 nan 0.000 0.218 195 A C 0.787 178.233 177.584 -0.230 0.000 1.157 195 A CA 2.316 54.320 52.037 -0.055 0.000 0.670 195 A CB -0.027 18.968 19.000 -0.009 0.000 0.804 195 A HN -0.394 7.894 8.150 0.273 0.026 0.453 196 Y N -4.112 116.259 120.300 0.118 0.000 2.449 196 Y HA 0.093 nan 4.550 nan 0.000 0.254 196 Y C 1.695 177.594 175.900 -0.000 0.000 1.140 196 Y CA 1.533 59.667 58.100 0.058 0.000 1.272 196 Y CB -0.054 38.445 38.460 0.065 0.000 1.114 196 Y HN -0.474 7.838 8.280 0.311 0.155 0.525 197 R N 0.311 120.905 120.500 0.156 0.000 2.120 197 R HA -0.327 nan 4.340 nan 0.000 0.234 197 R C 2.134 178.411 176.300 -0.037 0.000 1.123 197 R CA 2.719 58.860 56.100 0.069 0.000 0.975 197 R CB -1.290 29.113 30.300 0.173 0.000 0.866 197 R HN -0.540 7.840 8.270 0.184 0.000 0.446 198 S N -0.049 115.636 115.700 -0.025 0.000 2.368 198 S HA -0.221 nan 4.470 nan 0.000 0.224 198 S C 2.050 176.574 174.600 -0.127 0.000 1.029 198 S CA 3.836 62.005 58.200 -0.053 0.000 0.988 198 S CB -0.649 62.525 63.200 -0.044 0.000 0.838 198 S HN 0.206 8.513 8.310 -0.005 0.000 0.462 199 I N 1.942 122.416 120.570 -0.160 0.000 2.202 199 I HA -0.438 nan 4.170 nan 0.000 0.242 199 I C 1.311 177.143 176.117 -0.475 0.000 1.091 199 I CA 3.688 64.789 61.300 -0.331 0.000 1.368 199 I CB -0.014 37.853 38.000 -0.221 0.000 1.058 199 I HN -0.899 7.256 8.210 -0.093 0.000 0.410 200 I N -0.236 120.146 120.570 -0.314 0.000 2.226 200 I HA -0.646 nan 4.170 nan 0.000 0.245 200 I C 1.814 177.642 176.117 -0.482 0.000 1.100 200 I CA 4.551 65.602 61.300 -0.415 0.000 1.374 200 I CB -0.465 37.147 38.000 -0.648 0.000 1.057 200 I HN -0.265 7.824 8.210 -0.201 0.000 0.413 201 K N -1.310 118.845 120.400 -0.410 0.000 2.147 201 K HA -0.403 nan 4.320 nan 0.000 0.205 201 K C 2.164 178.811 176.600 0.078 0.000 1.049 201 K CA 3.740 59.915 56.287 -0.187 0.000 0.936 201 K CB -0.560 31.933 32.500 -0.012 0.000 0.722 201 K HN -0.033 8.010 8.250 -0.345 0.000 0.446 202 D N -0.054 120.345 120.400 -0.001 0.000 2.097 202 D HA -0.240 nan 4.640 nan 0.000 0.195 202 D C 2.230 178.596 176.300 0.109 0.000 0.989 202 D CA 3.207 57.237 54.000 0.052 0.000 0.827 202 D CB -0.130 40.578 40.800 -0.153 0.000 0.966 202 D HN -0.668 7.519 8.370 -0.139 0.099 0.456 203 Y N -1.561 118.757 120.300 0.030 0.000 2.224 203 Y HA -0.339 nan 4.550 nan 0.000 0.289 203 Y C 2.230 178.157 175.900 0.045 0.000 1.146 203 Y CA 1.766 59.876 58.100 0.017 0.000 1.182 203 Y CB -0.630 37.814 38.460 -0.025 0.000 0.983 203 Y HN -0.387 7.752 8.280 -0.236 0.000 0.524 204 F N 0.946 120.933 119.950 0.062 0.000 2.102 204 F HA -0.468 nan 4.527 nan 0.000 0.298 204 F C 2.355 178.174 175.800 0.031 0.000 1.105 204 F CA 3.908 61.929 58.000 0.035 0.000 1.239 204 F CB -0.101 38.901 39.000 0.004 0.000 0.991 204 F HN 0.228 8.578 8.300 0.223 0.083 0.474 205 H N -0.491 118.625 119.070 0.076 0.000 2.387 205 H HA -0.258 nan 4.556 nan 0.000 0.299 205 H C 1.649 176.939 175.328 -0.065 0.000 1.099 205 H CA 3.326 59.362 56.048 -0.019 0.000 1.315 205 H CB 0.064 29.863 29.762 0.062 0.000 1.380 205 H HN 0.005 8.369 8.280 0.141 0.000 0.513 206 R N -4.167 116.403 120.500 0.116 0.000 2.319 206 R HA -0.032 nan 4.340 nan 0.000 0.204 206 R C 0.580 176.884 176.300 0.006 0.000 0.954 206 R CA -0.015 56.128 56.100 0.072 0.000 1.066 206 R CB 0.255 30.629 30.300 0.123 0.000 0.991 206 R HN -0.360 7.903 8.270 0.169 0.109 0.486 207 G N -3.484 105.268 108.800 -0.079 0.000 2.201 207 G HA2 -0.239 nan 3.960 nan 0.000 0.212 207 G HA3 -0.239 nan 3.960 nan 0.000 0.212 207 G C -0.476 174.384 174.900 -0.066 0.000 0.994 207 G CA -0.494 44.544 45.100 -0.102 0.000 0.644 207 G HN -0.315 7.679 8.290 -0.146 0.208 0.508 208 A N 0.983 123.800 122.820 -0.005 0.000 2.386 208 A HA 0.113 nan 4.320 nan 0.000 0.248 208 A C -0.772 176.919 177.584 0.178 0.000 1.082 208 A CA -0.047 52.026 52.037 0.060 0.000 0.789 208 A CB 1.043 20.082 19.000 0.067 0.000 1.025 208 A HN -0.095 7.972 8.150 0.020 0.095 0.490 209 K N 0.642 121.156 120.400 0.189 0.000 2.174 209 K HA 0.139 nan 4.320 nan 0.000 0.275 209 K C -1.407 175.429 176.600 0.394 0.000 1.015 209 K CA -0.327 56.135 56.287 0.291 0.000 0.933 209 K CB 1.432 34.047 32.500 0.192 0.000 1.025 209 K HN 0.217 8.536 8.250 0.115 0.000 0.463 210 W N 2.726 124.151 121.300 0.208 0.000 2.683 210 W HA 0.468 nan 4.660 nan 0.000 0.329 210 W C -1.353 175.181 176.519 0.024 0.000 1.037 210 W CA -2.013 55.388 57.345 0.093 0.000 1.232 210 W CB 1.678 31.157 29.460 0.031 0.000 1.390 210 W HN 0.026 8.528 8.180 0.537 0.000 0.465 211 T N 9.151 123.911 114.554 0.343 0.000 2.893 211 T HA 0.412 nan 4.350 nan 0.000 0.293 211 T C -1.684 173.019 174.700 0.004 0.000 1.027 211 T CA -0.243 61.894 62.100 0.062 0.000 0.988 211 T CB 3.401 72.335 68.868 0.111 0.000 1.043 211 T HN 0.502 9.052 8.240 0.518 0.000 0.461 212 T N 0.525 114.968 114.554 -0.185 0.000 2.833 212 T HA 0.566 nan 4.350 nan 0.000 0.297 212 T C -0.334 174.130 174.700 -0.393 0.000 1.015 212 T CA -2.412 59.526 62.100 -0.269 0.000 0.963 212 T CB 0.672 69.333 68.868 -0.346 0.000 0.955 212 T HN 0.244 8.346 8.240 -0.230 0.000 0.449 213 A N 7.031 129.515 122.820 -0.560 0.000 2.466 213 A HA 0.208 nan 4.320 nan 0.000 0.238 213 A C -1.859 175.222 177.584 -0.838 0.000 1.074 213 A CA -1.158 50.220 52.037 -1.099 0.000 0.774 213 A CB -0.506 17.792 19.000 -1.170 0.000 1.015 213 A HN 0.045 7.924 8.150 -0.451 0.000 0.498 214 P HA -0.082 nan 4.420 nan 0.000 0.258 214 P C -1.458 175.567 177.300 -0.458 0.000 1.187 214 P CA 0.213 62.993 63.100 -0.533 0.000 0.767 214 P CB 0.457 31.881 31.700 -0.460 0.000 0.770 215 K N 5.888 126.055 120.400 -0.388 0.000 2.412 215 K HA 0.157 nan 4.320 nan 0.000 0.284 215 K C -1.674 174.810 176.600 -0.192 0.000 1.046 215 K CA -1.343 54.720 56.287 -0.373 0.000 0.999 215 K CB -0.246 31.998 32.500 -0.427 0.000 0.941 215 K HN 0.128 8.160 8.250 -0.363 0.000 0.474 216 P HA 0.082 nan 4.420 nan 0.000 0.272 216 P C -1.126 176.299 177.300 0.209 0.000 1.240 216 P CA -0.597 62.509 63.100 0.010 0.000 0.791 216 P CB 0.990 32.699 31.700 0.015 0.000 0.978 217 T N -3.692 110.990 114.554 0.213 0.000 2.985 217 T HA -0.024 nan 4.350 nan 0.000 0.266 217 T C 0.717 175.654 174.700 0.396 0.000 1.076 217 T CA 0.518 62.795 62.100 0.295 0.000 1.135 217 T CB 0.330 69.348 68.868 0.250 0.000 0.890 217 T HN 0.206 9.045 8.240 0.147 -0.511 0.480 218 M N -1.890 117.884 119.600 0.291 0.000 2.653 218 M HA -0.497 nan 4.480 nan 0.000 0.203 218 M C -1.039 175.397 176.300 0.227 0.000 0.502 218 M CA 0.630 56.050 55.300 0.200 0.000 0.601 218 M CB -1.907 30.802 32.600 0.182 0.000 2.228 218 M HN -0.384 8.272 8.290 0.230 -0.228 0.711 219 A N -1.685 121.254 122.820 0.197 0.000 2.327 219 A HA -0.053 nan 4.320 nan 0.000 0.255 219 A C 0.827 178.416 177.584 0.007 0.000 1.099 219 A CA -0.154 51.961 52.037 0.130 0.000 0.801 219 A CB 0.671 19.719 19.000 0.080 0.000 1.062 219 A HN -0.767 7.502 8.150 0.240 0.024 0.496 220 D N 0.583 120.986 120.400 0.004 0.000 2.203 220 D HA -0.407 nan 4.640 nan 0.000 0.199 220 D C 2.093 178.306 176.300 -0.145 0.000 0.997 220 D CA 4.005 58.008 54.000 0.005 0.000 0.863 220 D CB -0.370 40.415 40.800 -0.026 0.000 0.928 220 D HN 0.687 9.068 8.370 0.019 0.000 0.458 221 E N -0.769 119.186 120.200 -0.409 0.000 2.333 221 E HA -0.223 nan 4.350 nan 0.000 0.198 221 E C 1.621 177.885 176.600 -0.560 0.000 1.007 221 E CA 2.210 58.208 56.400 -0.669 0.000 0.845 221 E CB -0.702 28.127 29.700 -1.453 0.000 0.766 221 E HN 0.334 8.410 8.360 -0.425 0.029 0.507 222 L N -1.757 119.161 121.223 -0.508 0.000 2.418 222 L HA -0.121 nan 4.340 nan 0.000 0.218 222 L C -1.333 175.154 176.870 -0.639 0.000 1.125 222 L CA 0.777 55.322 54.840 -0.492 0.000 0.835 222 L CB 0.781 42.454 42.059 -0.644 0.000 0.953 222 L HN -0.196 7.578 8.230 -0.488 0.162 0.454 223 Y N -3.969 116.272 120.300 -0.099 0.000 2.485 223 Y HA 0.283 nan 4.550 nan 0.000 0.345 223 Y C -0.674 175.161 175.900 -0.109 0.000 0.998 223 Y CA -2.151 55.878 58.100 -0.118 0.000 1.059 223 Y CB 2.211 40.578 38.460 -0.155 0.000 1.234 223 Y HN -0.326 7.621 8.280 -0.284 0.162 0.461 224 N N 3.960 122.694 118.700 0.056 0.000 2.719 224 N HA 0.123 nan 4.740 nan 0.000 0.243 224 N C 0.548 176.078 175.510 0.033 0.000 1.104 224 N CA -0.463 52.612 53.050 0.041 0.000 0.981 224 N CB -0.326 38.205 38.487 0.074 0.000 1.290 224 N HN 0.531 8.931 8.380 0.033 0.000 0.513 225 Q N 2.358 122.162 119.800 0.006 0.000 2.308 225 Q HA -0.253 nan 4.340 nan 0.000 0.209 225 Q C -0.454 175.521 176.000 -0.043 0.000 0.985 225 Q CA 2.416 58.192 55.803 -0.044 0.000 0.881 225 Q CB -0.572 28.136 28.738 -0.049 0.000 0.917 225 Q HN 0.290 8.566 8.270 0.011 0.000 0.443 226 D N -5.909 114.492 120.400 0.001 0.000 2.501 226 D HA -0.026 nan 4.640 nan 0.000 0.226 226 D C -1.320 174.995 176.300 0.025 0.000 1.198 226 D CA -1.290 52.709 54.000 -0.001 0.000 0.830 226 D CB -1.257 39.545 40.800 0.003 0.000 1.014 226 D HN -0.230 8.090 8.370 0.022 0.064 0.496 227 Y N 4.452 124.684 120.300 -0.112 0.000 2.815 227 Y HA -0.123 nan 4.550 nan 0.000 0.346 227 Y C -0.610 175.180 175.900 -0.182 0.000 1.267 227 Y CA -1.848 56.179 58.100 -0.122 0.000 1.604 227 Y CB 0.079 38.463 38.460 -0.126 0.000 1.218 227 Y HN -0.190 8.010 8.280 0.130 0.157 0.527 228 P HA -0.090 nan 4.420 nan 0.000 0.246 228 P C -1.944 174.957 177.300 -0.666 0.000 1.675 228 P CA 0.170 62.997 63.100 -0.454 0.000 0.908 228 P CB -1.915 29.639 31.700 -0.244 0.000 1.890 229 I N 0.601 120.761 120.570 -0.683 0.000 2.336 229 I HA 0.010 nan 4.170 nan 0.000 0.292 229 I C -1.891 173.969 176.117 -0.427 0.000 0.991 229 I CA -1.403 59.631 61.300 -0.442 0.000 1.227 229 I CB 1.456 39.343 38.000 -0.188 0.000 1.366 229 I HN -0.181 7.615 8.210 -0.569 0.073 0.466 230 H N 7.443 126.617 119.070 0.172 0.000 3.457 230 H HA 0.206 nan 4.556 nan 0.000 0.255 230 H C -1.111 174.381 175.328 0.274 0.000 1.082 230 H CA -0.317 55.903 56.048 0.287 0.000 1.189 230 H CB 2.357 32.198 29.762 0.132 0.000 1.511 230 H HN 0.017 8.493 8.280 0.008 -0.192 0.527 231 S N -3.083 112.759 115.700 0.236 0.000 2.588 231 S HA 0.172 nan 4.470 nan 0.000 0.269 231 S C -0.839 173.758 174.600 -0.005 0.000 1.157 231 S CA -0.947 57.275 58.200 0.038 0.000 0.824 231 S CB 2.242 65.459 63.200 0.028 0.000 1.126 231 S HN -0.803 7.713 8.310 0.189 -0.093 0.464 232 V N 1.702 121.550 119.914 -0.110 0.000 2.759 232 V HA -0.260 nan 4.120 nan 0.000 0.256 232 V C 1.269 177.199 176.094 -0.273 0.000 1.080 232 V CA 3.663 65.817 62.300 -0.243 0.000 1.101 232 V CB -0.379 31.265 31.823 -0.299 0.000 0.698 232 V HN 0.258 8.634 8.190 -0.126 -0.261 0.477 233 E N -0.941 119.221 120.200 -0.063 0.000 2.152 233 E HA -0.314 nan 4.350 nan 0.000 0.192 233 E C 2.113 178.730 176.600 0.029 0.000 0.983 233 E CA 2.898 59.325 56.400 0.045 0.000 0.818 233 E CB -0.458 29.288 29.700 0.078 0.000 0.758 233 E HN -0.503 7.799 8.360 -0.029 0.041 0.467 234 D N -0.027 120.368 120.400 -0.008 0.000 2.084 234 D HA -0.207 nan 4.640 nan 0.000 0.196 234 D C 1.977 178.230 176.300 -0.078 0.000 0.985 234 D CA 3.149 57.131 54.000 -0.031 0.000 0.826 234 D CB -0.399 40.378 40.800 -0.039 0.000 0.978 234 D HN -0.741 7.525 8.370 -0.006 0.101 0.456 235 R N -0.165 120.273 120.500 -0.104 0.000 2.096 235 R HA -0.429 nan 4.340 nan 0.000 0.240 235 R C 2.128 178.427 176.300 -0.001 0.000 1.139 235 R CA 3.539 59.593 56.100 -0.076 0.000 0.952 235 R CB -0.029 30.238 30.300 -0.054 0.000 0.854 235 R HN -0.607 7.605 8.270 -0.096 0.000 0.436 236 H N -2.283 116.805 119.070 0.029 0.000 2.422 236 H HA -0.253 nan 4.556 nan 0.000 0.298 236 H C 2.549 177.890 175.328 0.022 0.000 1.098 236 H CA 2.600 58.675 56.048 0.046 0.000 1.315 236 H CB -0.072 29.727 29.762 0.062 0.000 1.382 236 H HN -0.367 7.820 8.280 -0.155 0.000 0.523 237 K N 0.090 120.561 120.400 0.118 0.000 2.031 237 K HA -0.275 nan 4.320 nan 0.000 0.205 237 K C 2.264 178.860 176.600 -0.006 0.000 1.049 237 K CA 2.708 59.026 56.287 0.051 0.000 0.939 237 K CB -0.009 32.507 32.500 0.026 0.000 0.717 237 K HN -0.631 7.552 8.250 0.096 0.125 0.438 238 L N -1.267 119.919 121.223 -0.061 0.000 2.012 238 L HA -0.402 nan 4.340 nan 0.000 0.210 238 L C 2.134 178.894 176.870 -0.184 0.000 1.073 238 L CA 2.990 57.758 54.840 -0.120 0.000 0.748 238 L CB -0.310 41.630 42.059 -0.199 0.000 0.891 238 L HN 0.065 8.254 8.230 -0.067 0.000 0.431 239 A N -1.546 121.157 122.820 -0.194 0.000 1.917 239 A HA -0.373 nan 4.320 nan 0.000 0.219 239 A C 2.177 179.689 177.584 -0.120 0.000 1.182 239 A CA 3.095 54.918 52.037 -0.357 0.000 0.633 239 A CB -1.092 17.912 19.000 0.006 0.000 0.819 239 A HN 0.650 8.640 8.150 -0.081 0.111 0.448 240 A N -2.529 120.298 122.820 0.011 0.000 2.019 240 A HA -0.206 nan 4.320 nan 0.000 0.219 240 A C 1.431 179.032 177.584 0.029 0.000 1.164 240 A CA 2.358 54.432 52.037 0.061 0.000 0.644 240 A CB -0.486 18.555 19.000 0.070 0.000 0.805 240 A HN -0.255 7.829 8.150 0.026 0.081 0.449 241 Q N -2.773 117.020 119.800 -0.013 0.000 2.425 241 Q HA -0.014 nan 4.340 nan 0.000 0.204 241 Q C 0.138 176.152 176.000 0.022 0.000 0.933 241 Q CA -0.434 55.369 55.803 0.000 0.000 0.939 241 Q CB 0.420 29.150 28.738 -0.014 0.000 1.044 241 Q HN -0.171 7.905 8.270 -0.046 0.166 0.513 242 G N -1.060 107.742 108.800 0.004 0.000 2.132 242 G HA2 -0.416 nan 3.960 nan 0.000 0.228 242 G HA3 -0.416 nan 3.960 nan 0.000 0.228 242 G C -1.106 173.831 174.900 0.062 0.000 1.000 242 G CA -0.140 45.047 45.100 0.147 0.000 0.693 242 G HN -0.254 7.801 8.290 -0.064 0.197 0.515 243 K N 1.353 121.613 120.400 -0.234 0.000 2.293 243 K HA 0.224 nan 4.320 nan 0.000 0.267 243 K C -1.539 174.844 176.600 -0.361 0.000 1.010 243 K CA -1.232 54.994 56.287 -0.101 0.000 0.875 243 K CB 1.116 33.637 32.500 0.035 0.000 1.106 243 K HN -0.147 7.792 8.250 -0.309 0.125 0.450 244 F N -0.096 119.921 119.950 0.111 0.000 2.631 244 F HA 0.291 nan 4.527 nan 0.000 0.328 244 F C 0.176 175.616 175.800 -0.599 0.000 1.067 244 F CA -0.953 56.952 58.000 -0.158 0.000 0.969 244 F CB 2.570 41.520 39.000 -0.083 0.000 1.332 244 F HN -0.443 8.003 8.300 0.242 0.000 0.490 245 V N 0.036 119.525 119.914 -0.709 0.000 2.759 245 V HA -0.150 nan 4.120 nan 0.000 0.256 245 V C -0.877 175.123 176.094 -0.157 0.000 1.080 245 V CA 1.631 63.516 62.300 -0.692 0.000 1.101 245 V CB 0.301 31.799 31.823 -0.543 0.000 0.698 245 V HN 0.587 8.892 8.190 -0.462 -0.392 0.477 246 T N -4.601 109.933 114.554 -0.034 0.000 2.795 246 T HA 0.428 nan 4.350 nan 0.000 0.282 246 T C 0.002 174.707 174.700 0.009 0.000 0.980 246 T CA -2.503 59.590 62.100 -0.011 0.000 1.012 246 T CB 1.365 70.230 68.868 -0.005 0.000 0.936 246 T HN -0.619 7.588 8.240 -0.004 0.030 0.457 247 T N 1.324 115.871 114.554 -0.011 0.000 2.833 247 T HA 0.234 nan 4.350 nan 0.000 0.292 247 T C 0.507 175.250 174.700 0.072 0.000 1.031 247 T CA -1.587 60.542 62.100 0.050 0.000 0.937 247 T CB 0.775 69.668 68.868 0.042 0.000 1.256 247 T HN 0.747 8.822 8.240 -0.078 0.118 0.551 248 E N -1.250 119.020 120.200 0.115 0.000 2.496 248 E HA 0.240 nan 4.350 nan 0.000 0.202 248 E C -0.903 175.780 176.600 0.138 0.000 1.021 248 E CA -0.858 55.614 56.400 0.119 0.000 1.015 248 E CB -0.828 28.953 29.700 0.135 0.000 1.102 248 E HN 0.396 8.830 8.360 0.123 0.000 0.452 249 F N 1.545 121.482 119.950 -0.022 0.000 2.126 249 F HA -0.322 nan 4.527 nan 0.000 0.299 249 F C -0.457 175.332 175.800 -0.019 0.000 1.096 249 F CA 2.205 60.188 58.000 -0.028 0.000 1.255 249 F CB 1.125 40.085 39.000 -0.066 0.000 0.997 249 F HN -0.430 7.920 8.300 0.234 0.091 0.479 250 E N -4.628 115.506 120.200 -0.109 0.000 2.412 250 E HA 0.235 nan 4.350 nan 0.000 0.279 250 E C -2.824 173.742 176.600 -0.056 0.000 0.984 250 E CA -3.270 53.004 56.400 -0.211 0.000 0.788 250 E CB 1.067 30.576 29.700 -0.319 0.000 1.277 250 E HN -0.413 7.989 8.360 0.070 0.000 0.455 251 P HA 0.099 nan 4.420 nan 0.000 0.268 251 P C -1.591 175.712 177.300 0.006 0.000 1.205 251 P CA -0.140 62.979 63.100 0.032 0.000 0.771 251 P CB 0.561 32.278 31.700 0.028 0.000 0.858 252 C N 0.080 119.440 119.300 0.101 0.000 3.241 252 C HA 0.637 nan 4.460 nan 0.000 0.348 252 C C -2.317 172.825 174.990 0.253 0.000 1.180 252 C CA -2.230 56.817 59.018 0.049 0.000 1.273 252 C CB 3.208 30.955 27.740 0.011 0.000 1.620 252 C HN 0.157 8.495 8.230 0.179 0.000 0.510 253 F N -3.092 116.864 119.950 0.009 0.000 2.799 253 F HA 0.445 nan 4.527 nan 0.000 0.316 253 F C -3.431 172.416 175.800 0.078 0.000 1.155 253 F CA -0.692 57.360 58.000 0.087 0.000 0.916 253 F CB 1.326 40.463 39.000 0.228 0.000 1.294 253 F HN -0.284 7.893 8.300 -0.204 0.000 0.447 254 D N 0.617 121.261 120.400 0.408 0.000 2.248 254 D HA 0.467 nan 4.640 nan 0.000 0.246 254 D C 0.540 177.114 176.300 0.457 0.000 1.027 254 D CA -1.678 52.469 54.000 0.246 0.000 0.853 254 D CB 2.309 43.268 40.800 0.265 0.000 1.243 254 D HN -0.110 8.553 8.370 0.488 0.000 0.462 255 A N 3.686 126.664 122.820 0.264 0.000 2.067 255 A HA -0.121 nan 4.320 nan 0.000 0.219 255 A C 0.968 178.728 177.584 0.293 0.000 1.158 255 A CA 2.995 55.224 52.037 0.321 0.000 0.661 255 A CB -0.054 19.004 19.000 0.097 0.000 0.801 255 A HN 0.539 8.731 8.150 0.070 0.000 0.452 256 A N -3.406 119.444 122.820 0.049 0.000 2.239 256 A HA -0.138 nan 4.320 nan 0.000 0.209 256 A C 0.500 178.168 177.584 0.141 0.000 1.171 256 A CA 1.802 53.803 52.037 -0.060 0.000 0.768 256 A CB -0.618 17.996 19.000 -0.644 0.000 0.790 256 A HN -0.082 7.992 8.150 -0.067 0.036 0.478 257 D N -2.595 117.957 120.400 0.252 0.000 2.339 257 D HA 0.188 nan 4.640 nan 0.000 0.217 257 D C -1.156 175.069 176.300 -0.125 0.000 1.050 257 D CA 1.102 55.158 54.000 0.094 0.000 0.856 257 D CB 0.882 41.686 40.800 0.006 0.000 0.922 257 D HN -0.540 7.974 8.370 0.378 0.083 0.518 258 F N -1.663 118.384 119.950 0.161 0.000 2.480 258 F HA 0.444 nan 4.527 nan 0.000 0.329 258 F C -0.708 175.231 175.800 0.231 0.000 1.091 258 F CA -0.877 57.225 58.000 0.171 0.000 0.972 258 F CB 2.858 41.915 39.000 0.094 0.000 1.150 258 F HN -0.574 7.817 8.300 0.458 0.183 0.467 259 I N 2.656 123.495 120.570 0.449 0.000 2.569 259 I HA 0.419 nan 4.170 nan 0.000 0.290 259 I C -2.403 174.012 176.117 0.495 0.000 1.088 259 I CA -1.662 59.907 61.300 0.448 0.000 1.047 259 I CB 4.738 43.005 38.000 0.444 0.000 1.237 259 I HN 0.800 9.288 8.210 0.464 0.000 0.421 260 R N 7.781 128.517 120.500 0.394 0.000 2.407 260 R HA 0.687 nan 4.340 nan 0.000 0.303 260 R C -1.579 174.969 176.300 0.412 0.000 0.981 260 R CA -1.406 54.910 56.100 0.361 0.000 0.905 260 R CB 1.409 31.828 30.300 0.197 0.000 1.099 260 R HN 0.377 9.175 8.270 0.338 -0.325 0.459 261 A N 3.015 126.170 122.820 0.559 0.000 3.410 261 A HA 0.370 nan 4.320 nan 0.000 0.276 261 A C -0.468 177.585 177.584 0.781 0.000 0.995 261 A CA -1.117 51.378 52.037 0.763 0.000 0.934 261 A CB 0.168 19.837 19.000 1.114 0.000 1.191 261 A HN 0.299 8.771 8.150 0.537 0.000 0.511 262 G N 2.719 111.864 108.800 0.575 0.000 2.543 262 G HA2 -0.478 nan 3.960 nan 0.000 0.286 262 G HA3 -0.478 nan 3.960 nan 0.000 0.286 262 G C 0.101 175.268 174.900 0.443 0.000 1.153 262 G CA 1.062 46.467 45.100 0.508 0.000 0.968 262 G HN 0.172 8.692 8.290 0.382 0.000 0.544 263 R N 3.210 123.860 120.500 0.249 0.000 2.316 263 R HA -0.047 nan 4.340 nan 0.000 0.202 263 R C -1.055 175.401 176.300 0.260 0.000 1.029 263 R CA 1.446 57.626 56.100 0.134 0.000 1.018 263 R CB 0.714 30.993 30.300 -0.035 0.000 0.888 263 R HN -0.021 8.348 8.270 0.166 0.000 0.471 264 D N -1.479 119.126 120.400 0.341 0.000 2.375 264 D HA 0.632 nan 4.640 nan 0.000 0.247 264 D C -1.975 174.415 176.300 0.150 0.000 1.061 264 D CA 0.070 54.222 54.000 0.253 0.000 0.834 264 D CB 3.074 44.017 40.800 0.238 0.000 1.247 264 D HN -0.769 7.789 8.370 0.418 0.063 0.489 265 I N 0.863 121.429 120.570 -0.006 0.000 2.545 265 I HA 0.706 nan 4.170 nan 0.000 0.292 265 I C -1.704 174.325 176.117 -0.146 0.000 1.040 265 I CA -1.001 60.341 61.300 0.071 0.000 1.068 265 I CB 3.651 41.764 38.000 0.189 0.000 1.251 265 I HN 0.842 9.072 8.210 0.033 0.000 0.424 266 F N 5.318 125.507 119.950 0.399 0.000 2.469 266 F HA 0.814 nan 4.527 nan 0.000 0.332 266 F C -1.585 174.299 175.800 0.140 0.000 1.103 266 F CA -1.955 56.227 58.000 0.303 0.000 0.979 266 F CB 2.344 41.544 39.000 0.334 0.000 1.137 266 F HN 0.611 9.243 8.300 0.553 0.000 0.463 267 A N 1.996 124.882 122.820 0.110 0.000 2.469 267 A HA 0.990 nan 4.320 nan 0.000 0.299 267 A C -2.777 174.728 177.584 -0.131 0.000 1.098 267 A CA -1.650 50.225 52.037 -0.270 0.000 0.737 267 A CB 3.744 22.323 19.000 -0.701 0.000 1.312 267 A HN 1.113 9.367 8.150 0.173 0.000 0.414 268 Q N -1.031 118.658 119.800 -0.186 0.000 2.375 268 Q HA 0.475 nan 4.340 nan 0.000 0.271 268 Q C -1.396 174.481 176.000 -0.205 0.000 1.074 268 Q CA -1.702 54.054 55.803 -0.079 0.000 0.808 268 Q CB 3.270 32.082 28.738 0.123 0.000 1.327 268 Q HN -0.106 7.975 8.270 -0.316 0.000 0.441 269 R N 4.775 125.112 120.500 -0.272 0.000 2.316 269 R HA 0.075 nan 4.340 nan 0.000 0.314 269 R C -1.088 174.880 176.300 -0.552 0.000 1.069 269 R CA -0.211 55.548 56.100 -0.567 0.000 0.959 269 R CB -0.330 29.412 30.300 -0.930 0.000 0.987 269 R HN 0.453 8.621 8.270 -0.171 0.000 0.446 270 S N 3.953 119.349 115.700 -0.507 0.000 2.874 270 S HA 0.486 nan 4.470 nan 0.000 0.318 270 S C -0.195 174.210 174.600 -0.326 0.000 1.109 270 S CA -1.460 56.552 58.200 -0.313 0.000 0.878 270 S CB 3.020 66.194 63.200 -0.044 0.000 1.307 270 S HN 0.331 8.379 8.310 -0.437 0.000 0.592 271 Q N -2.070 117.759 119.800 0.049 0.000 2.224 271 Q HA -0.031 nan 4.340 nan 0.000 0.203 271 Q C 2.151 178.194 176.000 0.072 0.000 0.970 271 Q CA 2.273 58.158 55.803 0.137 0.000 0.865 271 Q CB 0.389 29.234 28.738 0.179 0.000 0.922 271 Q HN 0.220 8.563 8.270 0.122 0.000 0.445 272 V N -10.370 109.581 119.914 0.062 0.000 3.645 272 V HA 0.264 nan 4.120 nan 0.000 0.275 272 V C 0.051 176.195 176.094 0.084 0.000 1.356 272 V CA -0.608 61.758 62.300 0.109 0.000 1.051 272 V CB 0.392 32.288 31.823 0.121 0.000 0.828 272 V HN -0.798 7.382 8.190 0.035 0.031 0.441 273 T N 5.159 119.718 114.554 0.008 0.000 2.833 273 T HA 0.308 nan 4.350 nan 0.000 0.297 273 T C -1.558 173.042 174.700 -0.167 0.000 1.015 273 T CA -0.177 61.941 62.100 0.031 0.000 0.963 273 T CB 0.536 69.427 68.868 0.039 0.000 0.955 273 T HN -0.710 7.385 8.240 -0.068 0.105 0.449 274 N N 6.049 124.691 118.700 -0.097 0.000 2.478 274 N HA 0.511 nan 4.740 nan 0.000 0.275 274 N C 0.647 176.052 175.510 -0.175 0.000 1.221 274 N CA -1.913 51.008 53.050 -0.216 0.000 0.979 274 N CB 1.854 40.296 38.487 -0.075 0.000 1.202 274 N HN -0.272 8.130 8.380 0.037 0.000 0.564 275 Y N -2.436 117.861 120.300 -0.004 0.000 2.333 275 Y HA -0.254 nan 4.550 nan 0.000 0.290 275 Y C 2.268 178.199 175.900 0.052 0.000 1.144 275 Y CA 3.734 61.843 58.100 0.015 0.000 1.228 275 Y CB -0.057 38.411 38.460 0.014 0.000 0.985 275 Y HN 0.118 8.588 8.280 -0.197 -0.309 0.542 276 L N -1.524 119.819 121.223 0.200 0.000 2.093 276 L HA -0.338 nan 4.340 nan 0.000 0.208 276 L C 2.292 179.293 176.870 0.217 0.000 1.085 276 L CA 2.934 57.879 54.840 0.175 0.000 0.755 276 L CB -0.630 41.503 42.059 0.123 0.000 0.904 276 L HN -0.250 8.281 8.230 0.171 -0.199 0.435 277 G N -1.082 107.849 108.800 0.217 0.000 2.402 277 G HA2 -0.305 nan 3.960 nan 0.000 0.216 277 G HA3 -0.305 nan 3.960 nan 0.000 0.216 277 G C 1.448 176.457 174.900 0.181 0.000 1.162 277 G CA 1.877 47.175 45.100 0.330 0.000 0.777 277 G HN -0.786 7.516 8.290 0.165 0.086 0.539 278 I N 1.618 122.271 120.570 0.137 0.000 2.226 278 I HA -0.537 nan 4.170 nan 0.000 0.245 278 I C 1.476 177.676 176.117 0.139 0.000 1.100 278 I CA 3.727 65.116 61.300 0.149 0.000 1.374 278 I CB -0.116 37.939 38.000 0.092 0.000 1.057 278 I HN -0.155 8.128 8.210 0.121 0.000 0.413 279 E N 0.314 120.604 120.200 0.151 0.000 2.110 279 E HA -0.308 nan 4.350 nan 0.000 0.193 279 E C 1.669 178.318 176.600 0.081 0.000 0.988 279 E CA 2.886 59.347 56.400 0.102 0.000 0.804 279 E CB -0.689 29.077 29.700 0.109 0.000 0.745 279 E HN -0.253 8.214 8.360 0.178 0.000 0.458 280 W N 0.502 121.819 121.300 0.029 0.000 2.333 280 W HA -0.349 nan 4.660 nan 0.000 0.316 280 W C 2.087 178.617 176.519 0.018 0.000 1.215 280 W CA 4.162 61.528 57.345 0.035 0.000 1.278 280 W CB 0.075 29.581 29.460 0.076 0.000 1.154 280 W HN -0.286 7.999 8.180 0.332 0.095 0.486 281 M N -2.086 117.570 119.600 0.094 0.000 2.117 281 M HA -0.482 nan 4.480 nan 0.000 0.262 281 M C 2.425 178.640 176.300 -0.142 0.000 1.065 281 M CA 2.814 58.057 55.300 -0.096 0.000 1.114 281 M CB -1.076 31.367 32.600 -0.262 0.000 1.361 281 M HN -0.537 7.875 8.290 0.204 0.000 0.408 282 R N -0.878 119.577 120.500 -0.075 0.000 2.083 282 R HA -0.393 nan 4.340 nan 0.000 0.237 282 R C 2.264 178.482 176.300 -0.138 0.000 1.137 282 R CA 3.877 59.931 56.100 -0.078 0.000 0.951 282 R CB -0.048 30.226 30.300 -0.043 0.000 0.851 282 R HN 0.240 8.393 8.270 -0.015 0.107 0.434 283 R N -2.567 117.821 120.500 -0.187 0.000 2.092 283 R HA -0.228 nan 4.340 nan 0.000 0.231 283 R C 2.099 178.223 176.300 -0.293 0.000 1.119 283 R CA 2.809 58.779 56.100 -0.218 0.000 0.970 283 R CB -0.104 30.067 30.300 -0.216 0.000 0.864 283 R HN 0.168 8.221 8.270 -0.175 0.111 0.440 284 H N -0.796 117.931 119.070 -0.571 0.000 2.423 284 H HA -0.187 nan 4.556 nan 0.000 0.297 284 H C 0.724 175.871 175.328 -0.302 0.000 1.075 284 H CA 2.950 58.641 56.048 -0.594 0.000 1.342 284 H CB 0.466 29.543 29.762 -1.142 0.000 1.395 284 H HN -0.199 7.775 8.280 -0.510 0.000 0.530 285 L N -4.363 116.677 121.223 -0.306 0.000 2.477 285 L HA 0.012 nan 4.340 nan 0.000 0.220 285 L C -0.440 176.401 176.870 -0.048 0.000 1.106 285 L CA -0.038 54.699 54.840 -0.173 0.000 0.851 285 L CB 0.458 42.483 42.059 -0.057 0.000 0.994 285 L HN -0.381 7.718 8.230 -0.219 0.000 0.462 286 A N 0.772 123.533 122.820 -0.098 0.000 2.483 286 A HA -0.009 nan 4.320 nan 0.000 0.238 286 A C -1.507 176.026 177.584 -0.085 0.000 1.070 286 A CA -0.070 51.921 52.037 -0.077 0.000 0.770 286 A CB -0.913 18.030 19.000 -0.095 0.000 1.008 286 A HN -0.603 7.462 8.150 -0.142 0.000 0.497 287 P HA 0.176 nan 4.420 nan 0.000 0.252 287 P C 0.086 177.330 177.300 -0.092 0.000 1.218 287 P CA 0.510 63.566 63.100 -0.073 0.000 0.807 287 P CB 1.110 32.767 31.700 -0.072 0.000 1.072 288 D N -0.403 119.933 120.400 -0.107 0.000 2.178 288 D HA -0.186 nan 4.640 nan 0.000 0.201 288 D C 0.249 176.270 176.300 -0.466 0.000 0.980 288 D CA 3.460 57.297 54.000 -0.273 0.000 0.842 288 D CB 0.399 41.026 40.800 -0.287 0.000 0.948 288 D HN 0.200 8.531 8.370 -0.066 0.000 0.472 289 Y N -3.431 116.846 120.300 -0.037 0.000 2.524 289 Y HA 0.419 nan 4.550 nan 0.000 0.344 289 Y C -0.905 174.956 175.900 -0.065 0.000 1.012 289 Y CA -1.185 56.903 58.100 -0.019 0.000 1.068 289 Y CB 3.205 41.665 38.460 0.000 0.000 1.249 289 Y HN -0.774 7.549 8.280 0.102 0.018 0.468 290 R N 0.856 121.399 120.500 0.072 0.000 2.437 290 R HA 0.417 nan 4.340 nan 0.000 0.310 290 R C -2.007 174.163 176.300 -0.216 0.000 0.955 290 R CA -1.130 54.891 56.100 -0.132 0.000 0.851 290 R CB 2.359 32.538 30.300 -0.202 0.000 1.161 290 R HN 0.802 9.159 8.270 0.145 0.000 0.446 291 V N 3.379 123.140 119.914 -0.255 0.000 2.347 291 V HA 0.393 nan 4.120 nan 0.000 0.280 291 V C -0.679 175.235 176.094 -0.300 0.000 1.021 291 V CA -0.964 61.244 62.300 -0.154 0.000 0.847 291 V CB 0.095 31.921 31.823 0.004 0.000 0.990 291 V HN 0.376 8.430 8.190 -0.226 0.000 0.444 292 H N 6.407 125.403 119.070 -0.123 0.000 2.499 292 H HA 0.369 nan 4.556 nan 0.000 0.340 292 H C -1.104 174.242 175.328 0.031 0.000 1.148 292 H CA -1.835 54.179 56.048 -0.055 0.000 1.215 292 H CB 3.223 32.944 29.762 -0.067 0.000 1.529 292 H HN 0.939 9.204 8.280 -0.025 0.000 0.510 293 I N 1.746 122.407 120.570 0.152 0.000 2.336 293 I HA 0.566 nan 4.170 nan 0.000 0.292 293 I C -0.240 175.927 176.117 0.082 0.000 0.991 293 I CA -0.803 60.559 61.300 0.104 0.000 1.227 293 I CB 0.761 38.831 38.000 0.117 0.000 1.366 293 I HN 0.348 8.636 8.210 0.129 0.000 0.466 294 I N 3.535 124.110 120.570 0.010 0.000 2.846 294 I HA 0.648 nan 4.170 nan 0.000 0.307 294 I C -2.082 173.829 176.117 -0.344 0.000 1.053 294 I CA -2.159 59.037 61.300 -0.174 0.000 1.050 294 I CB 3.404 41.244 38.000 -0.266 0.000 1.239 294 I HN 0.834 9.056 8.210 0.019 0.000 0.439 295 S N -0.661 114.739 115.700 -0.500 0.000 2.632 295 S HA 0.400 nan 4.470 nan 0.000 0.289 295 S C -1.610 172.401 174.600 -0.981 0.000 1.115 295 S CA -1.529 56.421 58.200 -0.417 0.000 0.889 295 S CB 3.329 66.622 63.200 0.155 0.000 1.116 295 S HN 0.207 8.384 8.310 -0.446 -0.135 0.486 296 F N -2.185 117.621 119.950 -0.239 0.000 2.629 296 F HA 0.516 nan 4.527 nan 0.000 0.316 296 F C -1.123 174.440 175.800 -0.396 0.000 1.081 296 F CA -1.052 56.676 58.000 -0.454 0.000 0.954 296 F CB 4.470 43.349 39.000 -0.203 0.000 1.337 296 F HN -0.090 8.199 8.300 -0.018 0.000 0.474 297 K N 1.323 121.637 120.400 -0.143 0.000 2.249 297 K HA -0.084 nan 4.320 nan 0.000 0.280 297 K C -0.235 176.354 176.600 -0.018 0.000 1.033 297 K CA -0.186 56.100 56.287 -0.002 0.000 0.946 297 K CB 0.894 33.399 32.500 0.008 0.000 1.005 297 K HN 0.314 8.486 8.250 -0.130 0.000 0.469 298 D N 0.677 121.024 120.400 -0.089 0.000 2.802 298 D HA -0.219 nan 4.640 nan 0.000 0.229 298 D C -2.073 174.167 176.300 -0.099 0.000 1.203 298 D CA 0.351 54.109 54.000 -0.404 0.000 0.712 298 D CB -1.447 38.982 40.800 -0.619 0.000 0.973 298 D HN 0.244 8.598 8.370 -0.025 0.000 0.407 299 P HA -0.069 nan 4.420 nan 0.000 0.272 299 P C -1.167 176.280 177.300 0.245 0.000 1.240 299 P CA -0.670 62.541 63.100 0.186 0.000 0.791 299 P CB 0.867 32.737 31.700 0.285 0.000 0.978 300 N N 0.569 119.373 118.700 0.175 0.000 2.530 300 N HA 0.046 nan 4.740 nan 0.000 0.273 300 N C 0.028 175.652 175.510 0.190 0.000 1.173 300 N CA -1.807 51.366 53.050 0.205 0.000 0.967 300 N CB 0.935 39.523 38.487 0.169 0.000 1.109 300 N HN 0.119 8.553 8.380 0.091 0.000 0.453 301 P HA -0.143 nan 4.420 nan 0.000 0.218 301 P C -1.505 175.863 177.300 0.113 0.000 1.146 301 P CA 1.881 65.082 63.100 0.168 0.000 0.813 301 P CB 0.474 32.262 31.700 0.147 0.000 0.778 302 M N -5.936 113.678 119.600 0.024 0.000 2.413 302 M HA 0.229 nan 4.480 nan 0.000 0.287 302 M C -2.271 173.940 176.300 -0.148 0.000 1.186 302 M CA 0.162 55.376 55.300 -0.142 0.000 0.927 302 M CB 4.056 36.413 32.600 -0.405 0.000 1.715 302 M HN -0.756 7.750 8.290 0.050 -0.186 0.478 303 H N -2.710 116.409 119.070 0.081 0.000 4.778 303 H HA -0.296 nan 4.556 nan 0.000 0.279 303 H C -1.416 173.959 175.328 0.077 0.000 0.581 303 H CA 0.065 56.166 56.048 0.087 0.000 0.739 303 H CB -0.274 29.542 29.762 0.091 0.000 0.956 303 H HN 0.146 8.879 8.280 0.184 -0.343 0.315 304 I N 0.749 121.452 120.570 0.220 0.000 3.854 304 I HA -0.018 nan 4.170 nan 0.000 0.312 304 I C -0.428 175.748 176.117 0.098 0.000 1.273 304 I CA -0.296 61.078 61.300 0.123 0.000 1.298 304 I CB 1.356 39.466 38.000 0.183 0.000 1.071 304 I HN 0.350 8.707 8.210 0.245 0.000 0.428 305 D N 1.027 121.520 120.400 0.156 0.000 2.392 305 D HA -0.192 nan 4.640 nan 0.000 0.228 305 D C -0.633 175.710 176.300 0.073 0.000 1.003 305 D CA 1.031 55.096 54.000 0.108 0.000 0.917 305 D CB -1.136 39.788 40.800 0.206 0.000 0.890 305 D HN -0.389 8.105 8.370 0.208 0.000 0.532 306 A N -3.820 119.043 122.820 0.071 0.000 2.594 306 A HA 0.280 nan 4.320 nan 0.000 0.292 306 A C -0.755 176.790 177.584 -0.064 0.000 1.026 306 A CA -0.260 51.822 52.037 0.076 0.000 0.983 306 A CB 0.911 20.018 19.000 0.178 0.000 1.233 306 A HN -0.160 7.952 8.150 0.069 0.079 0.519 307 T N -0.177 114.286 114.554 -0.153 0.000 3.254 307 T HA 0.268 nan 4.350 nan 0.000 0.267 307 T C -1.435 173.105 174.700 -0.267 0.000 0.946 307 T CA 1.553 63.434 62.100 -0.365 0.000 0.991 307 T CB 3.095 71.577 68.868 -0.643 0.000 1.205 307 T HN -0.315 7.797 8.240 -0.085 0.078 0.494 308 F N 2.246 122.001 119.950 -0.324 0.000 3.228 308 F HA 0.299 nan 4.527 nan 0.000 0.390 308 F C -2.846 172.894 175.800 -0.099 0.000 1.235 308 F CA -0.367 57.518 58.000 -0.193 0.000 1.236 308 F CB 1.980 40.930 39.000 -0.084 0.000 1.855 308 F HN -0.179 8.100 8.300 -0.034 0.000 0.647 309 N N 6.563 125.165 118.700 -0.164 0.000 2.457 309 N HA 0.314 nan 4.740 nan 0.000 0.250 309 N C -1.146 174.240 175.510 -0.207 0.000 0.982 309 N CA -1.451 51.513 53.050 -0.144 0.000 0.941 309 N CB 2.259 40.678 38.487 -0.112 0.000 1.120 309 N HN 0.076 8.335 8.380 -0.202 0.000 0.505 310 I N 5.960 126.461 120.570 -0.116 0.000 2.396 310 I HA -0.085 nan 4.170 nan 0.000 0.289 310 I C -0.280 175.839 176.117 0.004 0.000 1.056 310 I CA 1.102 62.339 61.300 -0.105 0.000 1.365 310 I CB 0.157 38.240 38.000 0.140 0.000 1.407 310 I HN 0.538 8.742 8.210 -0.010 0.000 0.509 311 I N 0.220 120.699 120.570 -0.152 0.000 4.082 311 I HA 0.307 nan 4.170 nan 0.000 0.337 311 I C -0.936 175.023 176.117 -0.263 0.000 1.352 311 I CA -1.219 60.038 61.300 -0.073 0.000 1.097 311 I CB 1.375 39.356 38.000 -0.031 0.000 1.048 311 I HN 0.334 8.370 8.210 -0.290 0.000 0.393 312 G N -1.094 107.194 108.800 -0.853 0.000 2.441 312 G HA2 0.241 nan 3.960 nan 0.000 0.294 312 G HA3 0.241 nan 3.960 nan 0.000 0.294 312 G C -3.535 170.010 174.900 -2.258 0.000 1.393 312 G CA -0.245 43.894 45.100 -1.602 0.000 0.796 312 G HN -0.850 6.915 8.290 -0.875 0.000 0.494 313 P HA -0.033 nan 4.420 nan 0.000 0.263 313 P C -0.369 176.307 177.300 -1.040 0.000 1.247 313 P CA 0.392 62.637 63.100 -1.424 0.000 0.876 313 P CB -0.976 30.296 31.700 -0.713 0.000 0.928 314 G N 3.187 111.125 108.800 -1.436 0.000 2.141 314 G HA2 -0.433 nan 3.960 nan 0.000 0.242 314 G HA3 -0.433 nan 3.960 nan 0.000 0.242 314 G C -1.637 172.581 174.900 -1.138 0.000 0.982 314 G CA 0.197 44.277 45.100 -1.700 0.000 0.662 314 G HN 0.166 7.461 8.290 -1.659 0.000 0.527 315 I N -1.410 118.550 120.570 -1.017 0.000 2.498 315 I HA 0.763 nan 4.170 nan 0.000 0.290 315 I C -2.427 173.361 176.117 -0.549 0.000 1.032 315 I CA -0.823 60.118 61.300 -0.599 0.000 1.073 315 I CB 2.569 40.284 38.000 -0.475 0.000 1.251 315 I HN -0.489 6.853 8.210 -1.225 0.133 0.426 316 V N 6.506 126.174 119.914 -0.410 0.000 2.971 316 V HA 0.758 nan 4.120 nan 0.000 0.309 316 V C -2.504 173.362 176.094 -0.380 0.000 1.130 316 V CA -2.365 59.649 62.300 -0.476 0.000 0.964 316 V CB 4.635 35.991 31.823 -0.778 0.000 1.029 316 V HN 0.400 8.399 8.190 -0.318 0.000 0.427 317 L N 6.997 128.012 121.223 -0.346 0.000 2.257 317 L HA 0.679 nan 4.340 nan 0.000 0.290 317 L C -1.580 175.125 176.870 -0.277 0.000 1.044 317 L CA -1.428 53.268 54.840 -0.241 0.000 0.810 317 L CB -0.032 41.948 42.059 -0.132 0.000 1.193 317 L HN 0.845 8.751 8.230 -0.357 0.109 0.425 318 S N 4.818 120.391 115.700 -0.211 0.000 2.438 318 S HA 0.139 nan 4.470 nan 0.000 0.316 318 S C -1.125 173.353 174.600 -0.203 0.000 1.084 318 S CA -1.737 56.385 58.200 -0.130 0.000 1.107 318 S CB 1.145 64.333 63.200 -0.020 0.000 0.981 318 S HN 0.453 8.651 8.310 -0.187 0.000 0.466 319 N N 9.277 127.790 118.700 -0.310 0.000 2.434 319 N HA 0.055 nan 4.740 nan 0.000 0.268 319 N C 0.217 175.462 175.510 -0.442 0.000 1.256 319 N CA -1.364 51.330 53.050 -0.594 0.000 0.914 319 N CB 0.800 38.848 38.487 -0.730 0.000 1.088 319 N HN 0.102 8.325 8.380 -0.262 0.000 0.478 320 P HA -0.142 nan 4.420 nan 0.000 0.219 320 P C -0.700 176.522 177.300 -0.130 0.000 1.146 320 P CA 2.081 65.075 63.100 -0.177 0.000 0.808 320 P CB -0.201 31.464 31.700 -0.058 0.000 0.779 321 D N -3.979 116.296 120.400 -0.209 0.000 2.348 321 D HA 0.039 nan 4.640 nan 0.000 0.211 321 D C -0.184 176.052 176.300 -0.106 0.000 0.998 321 D CA 0.864 54.814 54.000 -0.083 0.000 0.873 321 D CB -0.154 40.661 40.800 0.024 0.000 0.925 321 D HN 0.237 8.311 8.370 -0.441 0.032 0.524 322 R N -0.891 119.506 120.500 -0.171 0.000 2.748 322 R HA 0.443 nan 4.340 nan 0.000 0.283 322 R C -2.573 173.719 176.300 -0.014 0.000 1.507 322 R CA -2.790 53.244 56.100 -0.111 0.000 1.666 322 R CB 0.773 30.946 30.300 -0.213 0.000 1.237 322 R HN -0.392 7.560 8.270 -0.255 0.165 0.633 323 P HA -0.055 nan 4.420 nan 0.000 0.268 323 P C -1.317 176.017 177.300 0.057 0.000 1.205 323 P CA -0.614 62.516 63.100 0.050 0.000 0.771 323 P CB 0.687 32.399 31.700 0.020 0.000 0.858 324 C N 4.339 123.709 119.300 0.116 0.000 2.576 324 C HA 0.112 nan 4.460 nan 0.000 0.401 324 C C 1.919 176.809 174.990 -0.167 0.000 1.314 324 C CA -0.862 58.069 59.018 -0.145 0.000 1.855 324 C CB -0.290 27.381 27.740 -0.115 0.000 2.537 324 C HN 0.661 8.994 8.230 0.172 0.000 0.578 325 H N 7.983 126.960 119.070 -0.155 0.000 2.457 325 H HA -0.328 nan 4.556 nan 0.000 0.297 325 H C 1.088 176.369 175.328 -0.077 0.000 1.092 325 H CA 2.464 58.458 56.048 -0.090 0.000 1.309 325 H CB 0.037 29.739 29.762 -0.100 0.000 1.382 325 H HN 0.661 8.423 8.280 -0.688 0.106 0.535 326 Q N -2.824 116.973 119.800 -0.006 0.000 2.211 326 Q HA 0.136 nan 4.340 nan 0.000 0.231 326 Q C 0.499 176.522 176.000 0.038 0.000 0.865 326 Q CA -1.042 54.742 55.803 -0.032 0.000 0.997 326 Q CB -0.824 27.849 28.738 -0.108 0.000 1.101 326 Q HN -0.595 7.574 8.270 -0.110 0.035 0.468 327 I N 1.912 122.559 120.570 0.128 0.000 2.335 327 I HA -0.510 nan 4.170 nan 0.000 0.251 327 I C 0.009 176.242 176.117 0.192 0.000 1.129 327 I CA 2.727 64.193 61.300 0.276 0.000 1.402 327 I CB 0.209 38.322 38.000 0.189 0.000 1.069 327 I HN -0.418 7.765 8.210 0.081 0.075 0.424 328 D N -0.971 119.463 120.400 0.056 0.000 2.263 328 D HA -0.269 nan 4.640 nan 0.000 0.208 328 D C 2.187 178.434 176.300 -0.089 0.000 0.971 328 D CA 3.611 57.613 54.000 0.004 0.000 0.867 328 D CB -0.271 40.526 40.800 -0.005 0.000 0.929 328 D HN 0.115 8.494 8.370 0.044 0.017 0.492 329 L N -0.075 121.007 121.223 -0.235 0.000 2.083 329 L HA -0.263 nan 4.340 nan 0.000 0.209 329 L C 1.234 177.783 176.870 -0.535 0.000 1.083 329 L CA 3.253 57.830 54.840 -0.439 0.000 0.752 329 L CB -0.252 41.386 42.059 -0.701 0.000 0.899 329 L HN -0.422 7.544 8.230 -0.214 0.136 0.433 330 F N -2.331 117.483 119.950 -0.226 0.000 2.234 330 F HA -0.303 nan 4.527 nan 0.000 0.296 330 F C 1.982 177.714 175.800 -0.114 0.000 1.089 330 F CA 3.616 61.418 58.000 -0.329 0.000 1.343 330 F CB -0.663 38.214 39.000 -0.206 0.000 1.040 330 F HN -0.620 7.368 8.300 -0.343 0.106 0.498 331 K N -0.763 119.721 120.400 0.140 0.000 2.097 331 K HA -0.347 nan 4.320 nan 0.000 0.206 331 K C 2.932 179.572 176.600 0.068 0.000 1.049 331 K CA 3.409 59.767 56.287 0.118 0.000 0.933 331 K CB -0.466 32.089 32.500 0.091 0.000 0.717 331 K HN -0.102 8.162 8.250 0.141 0.070 0.442 332 K N -0.485 119.917 120.400 0.004 0.000 2.209 332 K HA -0.213 nan 4.320 nan 0.000 0.204 332 K C 1.269 177.873 176.600 0.007 0.000 1.048 332 K CA 2.393 58.674 56.287 -0.010 0.000 0.940 332 K CB -0.196 32.272 32.500 -0.053 0.000 0.729 332 K HN -0.075 8.151 8.250 -0.028 0.008 0.451 333 A N -4.240 118.572 122.820 -0.013 0.000 2.208 333 A HA 0.119 nan 4.320 nan 0.000 0.209 333 A C 0.129 177.864 177.584 0.251 0.000 1.161 333 A CA -0.309 51.762 52.037 0.056 0.000 0.782 333 A CB -0.392 18.525 19.000 -0.140 0.000 0.816 333 A HN -0.721 7.245 8.150 -0.070 0.143 0.477 334 G N -2.078 106.857 108.800 0.226 0.000 2.149 334 G HA2 -0.261 nan 3.960 nan 0.000 0.235 334 G HA3 -0.261 nan 3.960 nan 0.000 0.235 334 G C -0.294 174.815 174.900 0.349 0.000 1.018 334 G CA -0.004 45.238 45.100 0.236 0.000 0.728 334 G HN -0.559 7.628 8.290 0.155 0.196 0.508 335 W N -0.690 120.650 121.300 0.066 0.000 2.316 335 W HA 0.058 nan 4.660 nan 0.000 0.321 335 W C 0.422 176.935 176.519 -0.011 0.000 1.203 335 W CA -1.634 55.730 57.345 0.032 0.000 1.214 335 W CB 0.447 29.956 29.460 0.082 0.000 1.169 335 W HN -0.502 7.972 8.180 0.491 0.000 0.561 336 T N 6.026 120.624 114.554 0.073 0.000 2.727 336 T HA 0.164 nan 4.350 nan 0.000 0.298 336 T C -1.175 173.505 174.700 -0.034 0.000 0.942 336 T CA 0.527 62.623 62.100 -0.006 0.000 0.997 336 T CB -0.045 68.770 68.868 -0.088 0.000 0.917 336 T HN 0.938 9.144 8.240 -0.057 0.000 0.487 337 I N 7.765 128.333 120.570 -0.003 0.000 2.297 337 I HA 0.354 nan 4.170 nan 0.000 0.291 337 I C -0.896 175.178 176.117 -0.071 0.000 1.033 337 I CA -0.929 60.344 61.300 -0.046 0.000 1.253 337 I CB 0.557 38.564 38.000 0.012 0.000 1.396 337 I HN 0.346 8.574 8.210 0.029 0.000 0.476 338 I N 9.744 130.242 120.570 -0.120 0.000 2.336 338 I HA 0.238 nan 4.170 nan 0.000 0.292 338 I C -1.098 174.945 176.117 -0.123 0.000 0.991 338 I CA -2.111 59.117 61.300 -0.120 0.000 1.227 338 I CB 0.756 38.663 38.000 -0.154 0.000 1.366 338 I HN 0.794 8.908 8.210 -0.159 0.000 0.466 339 T N 4.473 118.971 114.554 -0.094 0.000 2.753 339 T HA 0.473 nan 4.350 nan 0.000 0.297 339 T C -1.663 172.994 174.700 -0.071 0.000 0.981 339 T CA -3.722 58.325 62.100 -0.088 0.000 0.956 339 T CB 0.437 69.270 68.868 -0.059 0.000 0.936 339 T HN 0.314 8.507 8.240 -0.078 0.000 0.463 340 P HA 0.362 nan 4.420 nan 0.000 0.272 340 P C -2.385 174.984 177.300 0.115 0.000 1.230 340 P CA -1.761 61.332 63.100 -0.012 0.000 0.788 340 P CB -0.669 31.058 31.700 0.045 0.000 0.949 341 P HA 0.056 nan 4.420 nan 0.000 0.274 341 P C -1.028 176.365 177.300 0.155 0.000 1.246 341 P CA -0.471 62.684 63.100 0.091 0.000 0.795 341 P CB 0.722 32.429 31.700 0.012 0.000 1.006 342 T N -3.980 110.617 114.554 0.070 0.000 2.900 342 T HA 0.050 nan 4.350 nan 0.000 0.307 342 T C -1.291 173.215 174.700 -0.323 0.000 1.065 342 T CA -2.001 59.996 62.100 -0.171 0.000 1.105 342 T CB -0.700 68.099 68.868 -0.114 0.000 0.979 342 T HN -0.223 8.055 8.240 0.064 0.000 0.544 343 P HA 0.122 nan 4.420 nan 0.000 0.272 343 P C -0.683 176.456 177.300 -0.268 0.000 1.223 343 P CA -0.639 62.208 63.100 -0.422 0.000 0.784 343 P CB 0.589 31.933 31.700 -0.593 0.000 0.923 344 I N -5.906 114.558 120.570 -0.175 0.000 4.082 344 I HA 0.237 nan 4.170 nan 0.000 0.337 344 I C 0.207 176.251 176.117 -0.122 0.000 1.352 344 I CA -1.193 60.030 61.300 -0.130 0.000 1.097 344 I CB 0.820 38.766 38.000 -0.090 0.000 1.048 344 I HN 0.050 8.702 8.210 -0.152 -0.534 0.393 345 I N 3.425 123.911 120.570 -0.140 0.000 2.752 345 I HA -0.036 nan 4.170 nan 0.000 0.289 345 I C -1.301 174.756 176.117 -0.100 0.000 1.197 345 I CA -1.416 59.807 61.300 -0.127 0.000 1.432 345 I CB 0.743 38.667 38.000 -0.126 0.000 1.359 345 I HN -0.691 7.470 8.210 -0.164 -0.050 0.571 346 P HA 0.056 nan 4.420 nan 0.000 0.265 346 P C -0.636 176.652 177.300 -0.020 0.000 1.193 346 P CA 0.032 63.105 63.100 -0.045 0.000 0.765 346 P CB 0.638 32.320 31.700 -0.030 0.000 0.823 347 D N 1.397 121.777 120.400 -0.034 0.000 2.348 347 D HA -0.277 nan 4.640 nan 0.000 0.216 347 D C 0.406 176.691 176.300 -0.024 0.000 0.970 347 D CA 2.995 56.972 54.000 -0.039 0.000 0.889 347 D CB -0.085 40.685 40.800 -0.050 0.000 0.912 347 D HN 0.488 8.833 8.370 -0.041 0.000 0.524 348 D N -5.937 114.461 120.400 -0.004 0.000 2.333 348 D HA -0.160 nan 4.640 nan 0.000 0.208 348 D C 0.211 176.520 176.300 0.015 0.000 0.984 348 D CA 0.461 54.460 54.000 -0.001 0.000 0.873 348 D CB -0.208 40.594 40.800 0.003 0.000 0.935 348 D HN -0.044 8.262 8.370 -0.001 0.064 0.521 349 H N 3.577 122.605 119.070 -0.071 0.000 2.848 349 H HA 0.064 nan 4.556 nan 0.000 0.317 349 H C -1.605 173.635 175.328 -0.146 0.000 1.046 349 H CA -1.779 54.211 56.048 -0.097 0.000 1.470 349 H CB 0.985 30.685 29.762 -0.103 0.000 1.483 349 H HN -0.548 7.645 8.280 0.107 0.152 0.548 350 P HA 0.008 nan 4.420 nan 0.000 0.271 350 P C -1.991 174.645 177.300 -1.106 0.000 1.226 350 P CA 0.063 62.646 63.100 -0.861 0.000 0.765 350 P CB 0.691 31.735 31.700 -1.093 0.000 0.835 351 L N 2.623 123.365 121.223 -0.802 0.000 2.495 351 L HA 0.217 nan 4.340 nan 0.000 0.248 351 L C 0.006 176.429 176.870 -0.745 0.000 1.229 351 L CA -0.987 53.507 54.840 -0.577 0.000 0.942 351 L CB 0.234 42.166 42.059 -0.212 0.000 1.242 351 L HN -0.167 7.742 8.230 -0.536 0.000 0.484 352 W N 0.261 121.205 121.300 -0.594 0.000 2.321 352 W HA -0.281 nan 4.660 nan 0.000 0.306 352 W C -0.013 176.522 176.519 0.026 0.000 1.217 352 W CA 2.351 59.380 57.345 -0.526 0.000 1.257 352 W CB 0.097 29.475 29.460 -0.138 0.000 1.145 352 W HN -0.338 7.201 8.180 -1.068 0.000 0.509 353 M N -4.680 115.113 119.600 0.322 0.000 2.644 353 M HA 0.197 nan 4.480 nan 0.000 0.304 353 M C -1.946 174.508 176.300 0.257 0.000 1.215 353 M CA -0.644 54.889 55.300 0.389 0.000 0.871 353 M CB 3.853 36.700 32.600 0.410 0.000 1.740 353 M HN -0.847 7.562 8.290 0.216 0.010 0.464 354 S N 0.310 116.196 115.700 0.310 0.000 3.646 354 S HA -0.229 nan 4.470 nan 0.000 0.756 354 S C -1.770 172.990 174.600 0.266 0.000 1.075 354 S CA -0.062 58.301 58.200 0.271 0.000 1.133 354 S CB 0.159 63.471 63.200 0.187 0.000 0.627 354 S HN 0.798 9.328 8.310 0.367 0.000 0.435 355 S N 0.149 116.005 115.700 0.260 0.000 2.718 355 S HA 0.249 nan 4.470 nan 0.000 0.292 355 S C 1.025 175.666 174.600 0.069 0.000 1.125 355 S CA -1.218 57.074 58.200 0.154 0.000 1.013 355 S CB 2.769 66.186 63.200 0.362 0.000 1.192 355 S HN 0.074 8.553 8.310 0.282 0.000 0.535 356 K N -1.096 119.290 120.400 -0.023 0.000 2.459 356 K HA 0.001 nan 4.320 nan 0.000 0.193 356 K C 1.554 178.061 176.600 -0.156 0.000 1.030 356 K CA 1.402 57.608 56.287 -0.135 0.000 1.026 356 K CB -0.614 31.729 32.500 -0.262 0.000 0.809 356 K HN 0.207 8.444 8.250 -0.023 0.000 0.504 357 W N -0.891 120.434 121.300 0.041 0.000 3.216 357 W HA -0.098 nan 4.660 nan 0.000 0.247 357 W C 0.817 177.372 176.519 0.060 0.000 1.326 357 W CA 0.848 58.221 57.345 0.047 0.000 1.564 357 W CB -0.534 28.955 29.460 0.049 0.000 1.113 357 W HN -0.455 7.826 8.180 0.276 0.065 0.722 358 L N -0.617 120.730 121.223 0.207 0.000 2.353 358 L HA -0.506 nan 4.340 nan 0.000 0.220 358 L C 1.794 178.767 176.870 0.172 0.000 1.133 358 L CA 2.397 57.340 54.840 0.171 0.000 0.798 358 L CB -1.012 41.108 42.059 0.101 0.000 0.922 358 L HN -0.318 7.886 8.230 0.133 0.105 0.445 359 S N 1.287 117.080 115.700 0.155 0.000 2.400 359 S HA -0.345 nan 4.470 nan 0.000 0.232 359 S C 1.090 175.844 174.600 0.258 0.000 1.025 359 S CA 2.866 61.166 58.200 0.167 0.000 0.993 359 S CB -0.236 63.012 63.200 0.080 0.000 0.808 359 S HN -0.442 7.879 8.310 0.111 0.055 0.478 360 M N -4.629 115.154 119.600 0.305 0.000 2.431 360 M HA 0.229 nan 4.480 nan 0.000 0.237 360 M C 0.320 176.751 176.300 0.219 0.000 1.130 360 M CA -0.071 55.393 55.300 0.273 0.000 1.002 360 M CB 0.229 32.975 32.600 0.244 0.000 1.524 360 M HN -0.499 7.987 8.290 0.359 0.019 0.482 361 N N 3.439 122.279 118.700 0.234 0.000 2.843 361 N HA 0.090 nan 4.740 nan 0.000 0.284 361 N C -1.438 174.248 175.510 0.293 0.000 1.274 361 N CA -1.011 52.169 53.050 0.217 0.000 1.045 361 N CB -0.872 37.748 38.487 0.222 0.000 1.370 361 N HN -0.260 8.060 8.380 0.249 0.210 0.525 362 V N -4.213 115.856 119.914 0.259 0.000 3.185 362 V HA 0.414 nan 4.120 nan 0.000 0.305 362 V C -1.348 174.871 176.094 0.209 0.000 1.090 362 V CA -1.306 61.147 62.300 0.254 0.000 1.107 362 V CB 0.718 32.607 31.823 0.110 0.000 1.061 362 V HN -0.636 7.626 8.190 0.216 0.058 0.480 363 L N 2.931 124.247 121.223 0.156 0.000 2.356 363 L HA 0.518 nan 4.340 nan 0.000 0.277 363 L C -1.338 175.539 176.870 0.012 0.000 0.996 363 L CA -0.801 54.139 54.840 0.166 0.000 0.822 363 L CB 3.891 46.073 42.059 0.205 0.000 1.256 363 L HN -0.479 7.785 8.230 0.057 0.000 0.413 364 M N 4.897 124.523 119.600 0.043 0.000 2.144 364 M HA 0.360 nan 4.480 nan 0.000 0.356 364 M C 0.625 176.930 176.300 0.007 0.000 1.217 364 M CA -1.510 53.788 55.300 -0.005 0.000 1.087 364 M CB -0.584 32.055 32.600 0.065 0.000 1.609 364 M HN 0.754 9.113 8.290 0.115 0.000 0.467 365 L N 3.140 124.342 121.223 -0.035 0.000 2.240 365 L HA -0.127 nan 4.340 nan 0.000 0.211 365 L C -0.377 176.495 176.870 0.003 0.000 1.106 365 L CA 2.211 57.038 54.840 -0.023 0.000 0.793 365 L CB -0.233 41.796 42.059 -0.051 0.000 0.927 365 L HN 0.834 9.017 8.230 -0.078 0.000 0.446 366 D N -4.465 115.943 120.400 0.014 0.000 2.809 366 D HA 0.025 nan 4.640 nan 0.000 0.336 366 D C 0.601 176.935 176.300 0.058 0.000 1.367 366 D CA -0.464 53.567 54.000 0.052 0.000 0.815 366 D CB 0.007 40.826 40.800 0.033 0.000 1.381 366 D HN -0.634 7.703 8.370 -0.010 0.027 0.471 367 E N -1.686 118.562 120.200 0.079 0.000 2.160 367 E HA -0.270 nan 4.350 nan 0.000 0.195 367 E C 0.805 177.381 176.600 -0.040 0.000 0.991 367 E CA 2.860 59.269 56.400 0.015 0.000 0.810 367 E CB 0.058 29.748 29.700 -0.018 0.000 0.742 367 E HN 0.233 8.655 8.360 0.102 0.000 0.466 368 K N -4.747 115.633 120.400 -0.033 0.000 2.455 368 K HA 0.263 nan 4.320 nan 0.000 0.206 368 K C -1.722 174.837 176.600 -0.069 0.000 1.027 368 K CA -1.207 55.051 56.287 -0.048 0.000 1.113 368 K CB 0.614 33.095 32.500 -0.032 0.000 0.850 368 K HN -0.086 8.440 8.250 -0.015 -0.285 0.503 369 R N -1.263 119.183 120.500 -0.090 0.000 2.515 369 R HA 0.538 nan 4.340 nan 0.000 0.291 369 R C -2.684 173.510 176.300 -0.176 0.000 1.046 369 R CA -0.307 55.722 56.100 -0.119 0.000 0.914 369 R CB 3.430 33.681 30.300 -0.082 0.000 1.191 369 R HN -0.551 7.651 8.270 -0.075 0.023 0.435 370 V N 4.913 124.664 119.914 -0.273 0.000 2.656 370 V HA 0.743 nan 4.120 nan 0.000 0.307 370 V C -2.440 173.433 176.094 -0.367 0.000 1.051 370 V CA -2.606 59.471 62.300 -0.372 0.000 0.893 370 V CB 4.437 35.828 31.823 -0.721 0.000 0.999 370 V HN 0.786 8.817 8.190 -0.265 0.000 0.426 371 M N 9.526 128.894 119.600 -0.387 0.000 2.084 371 M HA 0.596 nan 4.480 nan 0.000 0.351 371 M C -2.371 173.489 176.300 -0.734 0.000 1.240 371 M CA 0.127 55.074 55.300 -0.588 0.000 1.083 371 M CB 1.295 33.486 32.600 -0.681 0.000 1.593 371 M HN 0.373 8.473 8.290 -0.316 0.000 0.463 372 V N 6.341 125.917 119.914 -0.564 0.000 3.040 372 V HA 0.472 nan 4.120 nan 0.000 0.312 372 V C -2.799 173.335 176.094 0.066 0.000 1.115 372 V CA -3.162 59.041 62.300 -0.161 0.000 0.998 372 V CB 4.550 36.358 31.823 -0.025 0.000 1.042 372 V HN 0.438 8.341 8.190 -0.479 0.000 0.433 373 D N 3.593 124.229 120.400 0.394 0.000 2.425 373 D HA -0.047 nan 4.640 nan 0.000 0.247 373 D C 0.938 177.321 176.300 0.138 0.000 1.147 373 D CA 1.029 55.226 54.000 0.329 0.000 0.879 373 D CB 1.140 42.071 40.800 0.219 0.000 1.179 373 D HN 0.348 8.971 8.370 0.421 0.000 0.456 374 A N 7.915 130.794 122.820 0.098 0.000 2.024 374 A HA -0.246 nan 4.320 nan 0.000 0.220 374 A C 0.935 178.529 177.584 0.017 0.000 1.164 374 A CA 2.657 54.716 52.037 0.037 0.000 0.643 374 A CB -0.081 18.930 19.000 0.019 0.000 0.806 374 A HN 0.788 8.904 8.150 0.134 0.115 0.451 375 N N -3.929 114.776 118.700 0.008 0.000 2.416 375 N HA -0.069 nan 4.740 nan 0.000 0.177 375 N C 0.165 175.667 175.510 -0.013 0.000 1.036 375 N CA 1.865 54.903 53.050 -0.020 0.000 0.901 375 N CB 0.535 38.989 38.487 -0.056 0.000 0.976 375 N HN -0.416 8.197 8.380 0.020 -0.221 0.444 376 E N 1.267 121.476 120.200 0.015 0.000 2.110 376 E HA 0.084 nan 4.350 nan 0.000 0.300 376 E C -0.101 176.516 176.600 0.028 0.000 1.278 376 E CA -0.675 55.735 56.400 0.016 0.000 1.365 376 E CB -1.870 27.857 29.700 0.045 0.000 1.283 376 E HN -0.523 7.751 8.360 0.039 0.110 0.490 377 V N 2.752 122.672 119.914 0.009 0.000 2.324 377 V HA -0.312 nan 4.120 nan 0.000 0.250 377 V C -0.506 175.594 176.094 0.011 0.000 1.060 377 V CA 6.260 68.567 62.300 0.012 0.000 1.042 377 V CB -2.759 29.063 31.823 -0.003 0.000 0.650 377 V HN -0.393 7.737 8.190 -0.005 0.056 0.450 378 P HA -0.221 nan 4.420 nan 0.000 0.216 378 P C 1.506 178.796 177.300 -0.017 0.000 1.150 378 P CA 3.342 66.434 63.100 -0.013 0.000 0.837 378 P CB -0.361 31.325 31.700 -0.023 0.000 0.786 379 I N -3.328 117.244 120.570 0.002 0.000 2.876 379 I HA -0.353 nan 4.170 nan 0.000 0.264 379 I C 1.002 177.147 176.117 0.046 0.000 1.204 379 I CA 1.724 63.008 61.300 -0.026 0.000 1.485 379 I CB -0.085 37.938 38.000 0.038 0.000 1.103 379 I HN -0.671 7.550 8.210 0.018 0.000 0.446 380 Q N 0.644 120.517 119.800 0.122 0.000 2.050 380 Q HA -0.410 nan 4.340 nan 0.000 0.202 380 Q C 2.429 178.502 176.000 0.121 0.000 0.980 380 Q CA 3.693 59.603 55.803 0.178 0.000 0.840 380 Q CB -0.230 28.566 28.738 0.096 0.000 0.898 380 Q HN -0.463 7.740 8.270 0.084 0.118 0.424 381 K N -1.047 119.380 120.400 0.044 0.000 2.063 381 K HA -0.304 nan 4.320 nan 0.000 0.208 381 K C 2.174 178.767 176.600 -0.011 0.000 1.048 381 K CA 2.298 58.594 56.287 0.016 0.000 0.928 381 K CB -0.741 31.757 32.500 -0.004 0.000 0.713 381 K HN -0.102 8.167 8.250 0.032 0.000 0.442 382 M N -0.326 119.227 119.600 -0.077 0.000 2.080 382 M HA -0.372 nan 4.480 nan 0.000 0.260 382 M C 2.166 178.376 176.300 -0.150 0.000 1.068 382 M CA 3.798 58.996 55.300 -0.170 0.000 1.109 382 M CB -0.079 32.328 32.600 -0.321 0.000 1.342 382 M HN -0.790 7.375 8.290 -0.080 0.077 0.405 383 F N -2.624 117.312 119.950 -0.022 0.000 2.171 383 F HA -0.392 nan 4.527 nan 0.000 0.300 383 F C 2.235 178.015 175.800 -0.034 0.000 1.090 383 F CA 3.560 61.540 58.000 -0.033 0.000 1.293 383 F CB -0.798 38.182 39.000 -0.033 0.000 1.013 383 F HN -0.469 7.777 8.300 -0.089 0.000 0.486 384 E N -0.691 119.603 120.200 0.156 0.000 2.110 384 E HA -0.351 nan 4.350 nan 0.000 0.193 384 E C 2.946 179.570 176.600 0.039 0.000 0.988 384 E CA 3.205 59.651 56.400 0.077 0.000 0.804 384 E CB -0.432 29.300 29.700 0.053 0.000 0.745 384 E HN -0.058 8.322 8.360 0.158 0.075 0.458 385 K N -0.691 119.721 120.400 0.020 0.000 2.365 385 K HA -0.196 nan 4.320 nan 0.000 0.199 385 K C 1.177 177.776 176.600 -0.001 0.000 1.045 385 K CA 2.336 58.623 56.287 0.000 0.000 0.962 385 K CB -0.157 32.334 32.500 -0.016 0.000 0.759 385 K HN -0.157 8.103 8.250 0.017 0.000 0.469 386 L N -3.398 117.833 121.223 0.013 0.000 2.591 386 L HA 0.076 nan 4.340 nan 0.000 0.228 386 L C -0.113 176.767 176.870 0.017 0.000 1.133 386 L CA -0.278 54.568 54.840 0.010 0.000 0.880 386 L CB 0.108 42.183 42.059 0.027 0.000 1.033 386 L HN -0.803 7.283 8.230 0.032 0.163 0.450 387 G N -1.871 106.943 108.800 0.023 0.000 2.147 387 G HA2 -0.410 nan 3.960 nan 0.000 0.244 387 G HA3 -0.410 nan 3.960 nan 0.000 0.244 387 G C -0.450 174.457 174.900 0.012 0.000 1.005 387 G CA 0.356 45.463 45.100 0.011 0.000 0.713 387 G HN -0.259 7.836 8.290 0.028 0.211 0.515 388 I N 0.347 120.940 120.570 0.039 0.000 2.321 388 I HA -0.040 nan 4.170 nan 0.000 0.291 388 I C -0.585 175.523 176.117 -0.014 0.000 0.998 388 I CA -0.746 60.559 61.300 0.008 0.000 1.227 388 I CB 0.836 38.857 38.000 0.035 0.000 1.368 388 I HN -0.240 7.985 8.210 0.075 0.030 0.466 389 T N 10.274 124.799 114.554 -0.049 0.000 2.853 389 T HA 0.067 nan 4.350 nan 0.000 0.298 389 T C -0.233 174.407 174.700 -0.101 0.000 0.978 389 T CA 0.825 62.891 62.100 -0.056 0.000 1.152 389 T CB 0.140 68.976 68.868 -0.054 0.000 0.914 389 T HN 0.410 8.535 8.240 -0.052 0.084 0.539 390 T N 3.116 117.624 114.554 -0.077 0.000 2.771 390 T HA 0.574 nan 4.350 nan 0.000 0.291 390 T C -0.228 174.406 174.700 -0.111 0.000 0.954 390 T CA -1.917 60.118 62.100 -0.109 0.000 1.045 390 T CB 0.158 69.004 68.868 -0.036 0.000 0.917 390 T HN 0.237 8.452 8.240 -0.041 0.000 0.484 391 I N 7.150 127.622 120.570 -0.163 0.000 2.347 391 I HA 0.199 nan 4.170 nan 0.000 0.283 391 I C -0.945 175.062 176.117 -0.183 0.000 1.058 391 I CA -0.756 60.451 61.300 -0.156 0.000 1.202 391 I CB 0.443 38.337 38.000 -0.176 0.000 1.386 391 I HN 0.971 9.051 8.210 -0.217 0.000 0.475 392 K N 6.873 127.206 120.400 -0.111 0.000 2.339 392 K HA 0.256 nan 4.320 nan 0.000 0.286 392 K C -1.179 175.387 176.600 -0.057 0.000 1.050 392 K CA 0.360 56.601 56.287 -0.076 0.000 0.956 392 K CB 0.224 32.706 32.500 -0.031 0.000 0.990 392 K HN 0.146 8.345 8.250 -0.084 0.000 0.475 393 V N 3.720 123.627 119.914 -0.012 0.000 2.841 393 V HA 0.201 nan 4.120 nan 0.000 0.310 393 V C -1.695 174.502 176.094 0.173 0.000 1.090 393 V CA -1.586 60.755 62.300 0.068 0.000 0.930 393 V CB 4.462 36.337 31.823 0.087 0.000 1.014 393 V HN 0.525 8.718 8.190 0.004 0.000 0.425 394 N N 5.032 123.779 118.700 0.078 0.000 2.437 394 N HA 0.380 nan 4.740 nan 0.000 0.259 394 N C -0.490 175.001 175.510 -0.032 0.000 0.983 394 N CA -0.248 52.818 53.050 0.027 0.000 0.937 394 N CB 0.641 39.116 38.487 -0.020 0.000 1.122 394 N HN 0.279 8.683 8.380 0.040 0.000 0.499 395 I N -0.114 120.400 120.570 -0.093 0.000 3.007 395 I HA 0.406 nan 4.170 nan 0.000 0.333 395 I C -0.003 176.008 176.117 -0.177 0.000 1.489 395 I CA -1.899 59.274 61.300 -0.213 0.000 0.906 395 I CB 0.263 38.005 38.000 -0.430 0.000 1.702 395 I HN -0.376 7.978 8.210 -0.068 -0.185 0.548 396 R N 3.609 124.022 120.500 -0.145 0.000 2.103 396 R HA -0.410 nan 4.340 nan 0.000 0.242 396 R C 0.996 177.269 176.300 -0.046 0.000 1.142 396 R CA 3.633 59.618 56.100 -0.191 0.000 0.960 396 R CB -0.411 29.722 30.300 -0.279 0.000 0.858 396 R HN 0.211 8.618 8.270 -0.131 -0.215 0.439 397 N N -1.251 117.454 118.700 0.009 0.000 2.300 397 N HA -0.193 nan 4.740 nan 0.000 0.179 397 N C 2.491 178.162 175.510 0.269 0.000 1.016 397 N CA 3.274 56.435 53.050 0.186 0.000 0.876 397 N CB -0.173 38.295 38.487 -0.030 0.000 0.979 397 N HN -0.572 8.166 8.380 -0.066 -0.397 0.432 398 A N 0.928 123.787 122.820 0.064 0.000 1.969 398 A HA -0.222 nan 4.320 nan 0.000 0.218 398 A C 2.074 179.811 177.584 0.256 0.000 1.169 398 A CA 2.857 54.931 52.037 0.060 0.000 0.635 398 A CB -0.737 17.974 19.000 -0.482 0.000 0.810 398 A HN 0.141 8.541 8.150 -0.051 -0.280 0.445 399 N N -1.758 117.021 118.700 0.131 0.000 2.137 399 N HA -0.295 nan 4.740 nan 0.000 0.190 399 N C 2.602 178.183 175.510 0.119 0.000 1.017 399 N CA 2.692 55.825 53.050 0.139 0.000 0.859 399 N CB -0.742 37.787 38.487 0.070 0.000 1.002 399 N HN 0.193 8.578 8.380 0.033 0.014 0.428 400 S N 1.017 116.758 115.700 0.068 0.000 2.419 400 S HA -0.286 nan 4.470 nan 0.000 0.235 400 S C 1.379 175.949 174.600 -0.050 0.000 1.019 400 S CA 3.263 61.310 58.200 -0.255 0.000 0.982 400 S CB -0.254 62.513 63.200 -0.722 0.000 0.789 400 S HN -0.579 7.707 8.310 0.182 0.133 0.490 401 L N -2.950 118.335 121.223 0.103 0.000 2.465 401 L HA -0.237 nan 4.340 nan 0.000 0.224 401 L C 0.226 177.177 176.870 0.135 0.000 1.145 401 L CA 1.532 56.427 54.840 0.092 0.000 0.834 401 L CB 0.006 42.071 42.059 0.011 0.000 0.944 401 L HN -0.363 7.823 8.230 0.165 0.143 0.451 402 G N -5.343 103.534 108.800 0.127 0.000 2.227 402 G HA2 -0.207 nan 3.960 nan 0.000 0.168 402 G HA3 -0.207 nan 3.960 nan 0.000 0.168 402 G C -0.944 174.022 174.900 0.110 0.000 1.006 402 G CA -0.504 44.680 45.100 0.139 0.000 0.684 402 G HN -0.098 8.097 8.290 0.127 0.171 0.489 403 G N -1.050 107.817 108.800 0.111 0.000 2.694 403 G HA2 0.283 nan 3.960 nan 0.000 0.290 403 G HA3 0.283 nan 3.960 nan 0.000 0.290 403 G C -1.861 173.197 174.900 0.263 0.000 1.386 403 G CA -1.081 44.101 45.100 0.138 0.000 0.872 403 G HN -0.932 7.462 8.290 0.174 0.000 0.475 404 G N -2.030 106.886 108.800 0.193 0.000 3.008 404 G HA2 0.641 nan 3.960 nan 0.000 0.181 404 G HA3 0.641 nan 3.960 nan 0.000 0.181 404 G C 0.030 174.939 174.900 0.014 0.000 1.309 404 G CA -1.398 43.698 45.100 -0.006 0.000 1.009 404 G HN -0.590 7.814 8.290 0.191 0.000 0.584 405 F N 0.176 120.257 119.950 0.219 0.000 2.134 405 F HA -0.253 nan 4.527 nan 0.000 0.299 405 F C 2.120 178.063 175.800 0.239 0.000 1.097 405 F CA 4.362 62.480 58.000 0.196 0.000 1.264 405 F CB 0.050 39.117 39.000 0.112 0.000 1.001 405 F HN -0.286 7.943 8.300 -0.117 0.000 0.479 406 H N -0.256 118.986 119.070 0.286 0.000 2.353 406 H HA -0.346 nan 4.556 nan 0.000 0.300 406 H C 2.261 177.672 175.328 0.138 0.000 1.090 406 H CA 4.784 60.947 56.048 0.191 0.000 1.327 406 H CB 0.497 30.357 29.762 0.162 0.000 1.383 406 H HN -0.057 8.515 8.280 0.487 0.000 0.508 407 C N -1.141 118.266 119.300 0.179 0.000 2.446 407 C HA -0.254 nan 4.460 nan 0.000 0.277 407 C C 1.987 176.946 174.990 -0.051 0.000 1.275 407 C CA 4.413 63.440 59.018 0.015 0.000 1.727 407 C CB -1.513 26.233 27.740 0.012 0.000 2.010 407 C HN 0.260 8.651 8.230 0.267 0.000 0.486 408 W N -2.320 118.962 121.300 -0.030 0.000 2.961 408 W HA -0.193 nan 4.660 nan 0.000 0.240 408 W C -1.051 175.467 176.519 -0.002 0.000 1.305 408 W CA 1.885 59.208 57.345 -0.036 0.000 1.465 408 W CB -0.381 29.050 29.460 -0.048 0.000 1.135 408 W HN -0.101 8.294 8.180 0.358 0.000 0.688 409 T N -8.358 106.290 114.554 0.157 0.000 2.864 409 T HA 0.605 nan 4.350 nan 0.000 0.289 409 T C -2.689 171.998 174.700 -0.022 0.000 1.082 409 T CA -2.468 59.691 62.100 0.098 0.000 1.009 409 T CB 3.454 72.391 68.868 0.114 0.000 1.234 409 T HN -0.668 7.554 8.240 0.104 0.081 0.526 410 C N 2.228 121.525 119.300 -0.006 0.000 2.620 410 C HA 0.401 nan 4.460 nan 0.000 0.356 410 C C -2.087 172.888 174.990 -0.026 0.000 1.082 410 C CA -1.239 57.745 59.018 -0.057 0.000 1.293 410 C CB 1.950 29.655 27.740 -0.059 0.000 1.836 410 C HN 0.359 8.615 8.230 0.043 0.000 0.453 411 D N 7.767 128.139 120.400 -0.048 0.000 2.346 411 D HA -0.045 nan 4.640 nan 0.000 0.260 411 D C -0.527 175.730 176.300 -0.073 0.000 1.252 411 D CA 0.495 54.471 54.000 -0.040 0.000 0.895 411 D CB -0.291 40.486 40.800 -0.037 0.000 1.097 411 D HN -0.033 8.292 8.370 -0.075 0.000 0.489 412 V N 1.123 120.992 119.914 -0.075 0.000 2.599 412 V HA -0.013 nan 4.120 nan 0.000 0.245 412 V C -0.396 175.582 176.094 -0.193 0.000 1.046 412 V CA 2.303 64.509 62.300 -0.156 0.000 1.065 412 V CB 0.836 32.553 31.823 -0.176 0.000 0.703 412 V HN 0.051 8.217 8.190 -0.039 0.000 0.464 413 R N -2.152 118.268 120.500 -0.133 0.000 2.533 413 R HA 0.471 nan 4.340 nan 0.000 0.288 413 R C -2.570 173.687 176.300 -0.072 0.000 1.039 413 R CA -0.466 55.562 56.100 -0.120 0.000 0.909 413 R CB 3.024 33.256 30.300 -0.113 0.000 1.195 413 R HN -0.560 7.655 8.270 -0.092 0.000 0.438 414 R N 4.729 125.189 120.500 -0.068 0.000 2.621 414 R HA 0.589 nan 4.340 nan 0.000 0.292 414 R C -1.680 174.617 176.300 -0.004 0.000 0.969 414 R CA -1.581 54.496 56.100 -0.037 0.000 0.887 414 R CB 3.552 33.815 30.300 -0.061 0.000 1.180 414 R HN 0.510 8.726 8.270 -0.090 0.000 0.450 415 R N 3.449 123.958 120.500 0.016 0.000 2.296 415 R HA -0.073 nan 4.340 nan 0.000 0.323 415 R C -0.879 175.461 176.300 0.068 0.000 1.067 415 R CA 0.838 56.961 56.100 0.039 0.000 0.946 415 R CB 0.156 30.476 30.300 0.033 0.000 0.991 415 R HN 0.591 8.762 8.270 0.011 0.105 0.448 416 G N 3.981 112.843 108.800 0.104 0.000 2.327 416 G HA2 0.016 nan 3.960 nan 0.000 0.291 416 G HA3 0.016 nan 3.960 nan 0.000 0.291 416 G C -2.758 172.236 174.900 0.157 0.000 1.290 416 G CA 0.153 45.327 45.100 0.124 0.000 0.857 416 G HN -0.041 8.314 8.290 0.110 0.000 0.520 417 T N -3.712 110.879 114.554 0.061 0.000 2.910 417 T HA 0.336 nan 4.350 nan 0.000 0.287 417 T C -0.882 173.549 174.700 -0.448 0.000 1.050 417 T CA -2.172 59.837 62.100 -0.151 0.000 1.011 417 T CB 2.707 71.512 68.868 -0.105 0.000 1.195 417 T HN 0.138 8.424 8.240 0.077 0.000 0.540 418 L N 1.723 122.445 121.223 -0.835 0.000 2.319 418 L HA 0.179 nan 4.340 nan 0.000 0.280 418 L C -0.864 175.808 176.870 -0.330 0.000 1.099 418 L CA -0.079 54.310 54.840 -0.751 0.000 0.828 418 L CB 0.408 42.011 42.059 -0.761 0.000 1.150 418 L HN 0.159 7.943 8.230 -0.743 0.000 0.442 419 Q N 4.392 124.055 119.800 -0.229 0.000 2.615 419 Q HA 0.279 nan 4.340 nan 0.000 0.298 419 Q C -2.219 173.526 176.000 -0.425 0.000 1.023 419 Q CA -1.479 54.129 55.803 -0.324 0.000 0.768 419 Q CB 4.133 32.636 28.738 -0.392 0.000 1.500 419 Q HN 0.091 8.288 8.270 -0.123 0.000 0.441 420 S N -1.107 114.325 115.700 -0.448 0.000 2.472 420 S HA 0.337 nan 4.470 nan 0.000 0.303 420 S C -0.886 173.477 174.600 -0.395 0.000 1.099 420 S CA -1.452 56.589 58.200 -0.264 0.000 1.077 420 S CB 0.564 63.720 63.200 -0.073 0.000 1.031 420 S HN 0.088 8.171 8.310 -0.378 0.000 0.487 421 Y N 3.989 124.503 120.300 0.357 0.000 2.527 421 Y HA 0.184 nan 4.550 nan 0.000 0.247 421 Y C -0.221 176.057 175.900 0.630 0.000 1.138 421 Y CA 0.013 58.361 58.100 0.413 0.000 1.228 421 Y CB 0.945 39.647 38.460 0.403 0.000 1.252 421 Y HN 0.917 9.401 8.280 0.341 0.000 0.531 422 L N -0.409 121.160 121.223 0.576 0.000 2.607 422 L HA 0.037 nan 4.340 nan 0.000 0.228 422 L C -0.787 176.215 176.870 0.220 0.000 1.123 422 L CA 0.206 55.278 54.840 0.387 0.000 0.890 422 L CB 0.342 42.540 42.059 0.232 0.000 1.103 422 L HN -0.498 7.992 8.230 0.433 0.000 0.468 423 D N 0.000 120.523 120.400 0.206 0.000 6.856 423 D HA 0.000 nan 4.640 nan 0.000 0.175 423 D CA 0.000 54.069 54.000 0.115 0.000 0.868 423 D CB 0.000 40.866 40.800 0.110 0.000 0.688 423 D HN 0.000 8.505 8.370 0.245 0.012 0.683