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 2jdx_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 ISFKDPNPXH 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 0.000 174.951 174.990 -0.066 0.000 1.270 64 C CA 0.000 58.999 59.018 -0.031 0.000 1.963 64 C CB 0.000 27.722 27.740 -0.030 0.000 2.134 65 P HA -0.067 nan 4.420 nan 0.000 0.217 65 P C -1.362 175.747 177.300 -0.318 0.000 1.151 65 P CA 1.071 64.073 63.100 -0.163 0.000 0.828 65 P CB 0.644 32.281 31.700 -0.104 0.000 0.788 66 V N -0.188 119.525 119.914 -0.335 0.000 2.406 66 V HA 0.175 nan 4.120 nan 0.000 0.272 66 V C -1.123 174.832 176.094 -0.232 0.000 1.043 66 V CA -0.252 61.837 62.300 -0.350 0.000 0.915 66 V CB -0.690 30.944 31.823 -0.316 0.000 0.988 66 V HN -0.526 7.519 8.190 -0.242 0.000 0.466 67 S N 7.908 123.455 115.700 -0.255 0.000 2.392 67 S HA 0.223 nan 4.470 nan 0.000 0.246 67 S C -2.531 171.852 174.600 -0.363 0.000 0.999 67 S CA 0.898 58.918 58.200 -0.302 0.000 1.059 67 S CB 1.825 64.905 63.200 -0.200 0.000 1.194 67 S HN 0.943 9.094 8.310 -0.265 0.000 0.421 68 S N 6.527 121.933 115.700 -0.490 0.000 2.668 68 S HA 0.339 nan 4.470 nan 0.000 0.277 68 S C -1.368 172.955 174.600 -0.462 0.000 1.170 68 S CA -0.408 57.556 58.200 -0.392 0.000 0.994 68 S CB 1.747 64.808 63.200 -0.231 0.000 1.051 68 S HN -0.041 7.947 8.310 -0.536 0.000 0.484 69 Y N 5.252 125.521 120.300 -0.052 0.000 2.442 69 Y HA 0.152 nan 4.550 nan 0.000 0.250 69 Y C -1.379 174.485 175.900 -0.061 0.000 1.113 69 Y CA 0.140 58.245 58.100 0.008 0.000 1.273 69 Y CB 1.301 39.808 38.460 0.079 0.000 1.138 69 Y HN 0.645 8.848 8.280 -0.128 0.000 0.522 70 N N -3.864 114.748 118.700 -0.146 0.000 3.243 70 N HA 0.141 nan 4.740 nan 0.000 0.280 70 N C -0.350 174.874 175.510 -0.476 0.000 1.545 70 N CA -0.900 51.870 53.050 -0.467 0.000 0.854 70 N CB 1.240 38.962 38.487 -1.274 0.000 1.612 70 N HN -0.895 7.376 8.380 -0.180 0.000 0.577 71 E N -3.032 116.859 120.200 -0.515 0.000 2.479 71 E HA 0.010 nan 4.350 nan 0.000 0.193 71 E C -0.568 176.033 176.600 0.002 0.000 1.049 71 E CA 1.341 57.693 56.400 -0.080 0.000 0.870 71 E CB 0.027 29.859 29.700 0.220 0.000 0.944 71 E HN 0.096 8.007 8.360 -0.748 0.000 0.492 72 W N -5.014 116.291 121.300 0.008 0.000 2.773 72 W HA 0.215 nan 4.660 nan 0.000 0.297 72 W C -0.645 175.864 176.519 -0.017 0.000 1.050 72 W CA -1.180 56.148 57.345 -0.029 0.000 1.467 72 W CB 0.727 30.134 29.460 -0.090 0.000 0.977 72 W HN -0.642 6.974 8.180 -1.254 -0.188 0.573 73 D N 2.653 122.919 120.400 -0.223 0.000 2.419 73 D HA 0.077 nan 4.640 nan 0.000 0.236 73 D C -1.398 174.905 176.300 0.005 0.000 1.165 73 D CA -0.181 53.806 54.000 -0.023 0.000 0.882 73 D CB 0.127 40.891 40.800 -0.061 0.000 1.201 73 D HN -0.289 8.053 8.370 -0.640 -0.356 0.443 74 P HA -0.198 nan 4.420 nan 0.000 0.251 74 P C -1.367 175.930 177.300 -0.005 0.000 1.154 74 P CA 0.676 63.786 63.100 0.017 0.000 0.805 74 P CB -0.374 31.339 31.700 0.022 0.000 0.759 75 L N 5.627 126.844 121.223 -0.011 0.000 2.453 75 L HA -0.135 nan 4.340 nan 0.000 0.272 75 L C -1.023 175.837 176.870 -0.017 0.000 1.182 75 L CA 1.255 56.082 54.840 -0.021 0.000 0.858 75 L CB 0.667 42.717 42.059 -0.016 0.000 1.120 75 L HN -0.075 8.152 8.230 -0.004 0.000 0.474 76 E N 3.274 123.460 120.200 -0.024 0.000 2.399 76 E HA 0.208 nan 4.350 nan 0.000 0.206 76 E C -0.465 176.128 176.600 -0.011 0.000 0.812 76 E CA 0.592 56.982 56.400 -0.017 0.000 1.138 76 E CB 3.125 32.812 29.700 -0.023 0.000 1.140 76 E HN 0.674 9.013 8.360 -0.036 0.000 0.536 77 E N -1.282 118.906 120.200 -0.020 0.000 2.356 77 E HA 0.729 nan 4.350 nan 0.000 0.275 77 E C -2.626 173.978 176.600 0.006 0.000 0.904 77 E CA -0.917 55.484 56.400 0.002 0.000 0.757 77 E CB 4.303 34.000 29.700 -0.004 0.000 1.232 77 E HN -0.566 7.771 8.360 -0.038 0.000 0.442 78 V N 3.457 123.397 119.914 0.044 0.000 3.178 78 V HA 0.662 nan 4.120 nan 0.000 0.302 78 V C -2.353 173.797 176.094 0.093 0.000 1.262 78 V CA -1.367 60.963 62.300 0.050 0.000 1.030 78 V CB 4.604 36.450 31.823 0.038 0.000 1.074 78 V HN 0.789 9.017 8.190 0.062 0.000 0.438 79 I N 4.754 125.386 120.570 0.104 0.000 2.378 79 I HA 0.608 nan 4.170 nan 0.000 0.291 79 I C -1.506 174.697 176.117 0.143 0.000 0.992 79 I CA -1.115 60.270 61.300 0.141 0.000 1.154 79 I CB 2.436 40.547 38.000 0.186 0.000 1.315 79 I HN 0.049 8.305 8.210 0.078 0.000 0.448 80 V N 6.193 126.199 119.914 0.152 0.000 2.417 80 V HA 0.567 nan 4.120 nan 0.000 0.291 80 V C 0.378 176.602 176.094 0.216 0.000 1.024 80 V CA -2.133 60.280 62.300 0.188 0.000 0.861 80 V CB 1.433 33.351 31.823 0.158 0.000 0.985 80 V HN 0.422 8.694 8.190 0.137 0.000 0.436 81 G N 6.024 114.989 108.800 0.274 0.000 2.590 81 G HA2 0.138 nan 3.960 nan 0.000 0.276 81 G HA3 0.138 nan 3.960 nan 0.000 0.276 81 G C -1.853 173.211 174.900 0.274 0.000 1.337 81 G CA 0.078 45.298 45.100 0.200 0.000 1.030 81 G HN 0.486 8.964 8.290 0.313 0.000 0.534 82 R N -1.227 119.380 120.500 0.179 0.000 2.628 82 R HA 0.288 nan 4.340 nan 0.000 0.288 82 R C -0.891 175.547 176.300 0.230 0.000 0.980 82 R CA -1.278 54.960 56.100 0.230 0.000 0.891 82 R CB 3.046 33.440 30.300 0.157 0.000 1.188 82 R HN -0.043 8.127 8.270 0.028 0.117 0.450 83 A N 2.281 125.292 122.820 0.318 0.000 2.195 83 A HA -0.035 nan 4.320 nan 0.000 0.210 83 A C -0.570 177.161 177.584 0.246 0.000 1.165 83 A CA 0.583 52.797 52.037 0.295 0.000 0.806 83 A CB 0.316 19.519 19.000 0.338 0.000 0.847 83 A HN 0.433 8.770 8.150 0.312 0.000 0.482 84 E N -1.610 118.724 120.200 0.223 0.000 2.452 84 E HA -0.249 nan 4.350 nan 0.000 0.261 84 E C -0.782 176.000 176.600 0.304 0.000 0.987 84 E CA 0.910 57.432 56.400 0.203 0.000 0.926 84 E CB -0.041 29.749 29.700 0.150 0.000 0.934 84 E HN -0.206 8.224 8.360 0.209 0.056 0.452 85 N N -2.720 116.109 118.700 0.216 0.000 2.693 85 N HA -0.420 nan 4.740 nan 0.000 0.249 85 N C -1.107 174.824 175.510 0.702 0.000 1.119 85 N CA 0.981 54.221 53.050 0.316 0.000 0.717 85 N CB -1.646 37.034 38.487 0.322 0.000 1.071 85 N HN 0.294 8.730 8.380 0.092 0.000 0.555 86 A N -1.946 121.236 122.820 0.603 0.000 2.511 86 A HA -0.001 nan 4.320 nan 0.000 0.242 86 A C -0.656 177.376 177.584 0.748 0.000 1.069 86 A CA 0.542 52.973 52.037 0.656 0.000 0.763 86 A CB 0.753 20.112 19.000 0.597 0.000 1.001 86 A HN -0.663 7.719 8.150 0.457 0.043 0.498 87 C N 4.361 123.976 119.300 0.525 0.000 2.493 87 C HA 0.677 nan 4.460 nan 0.000 0.326 87 C C 0.004 174.959 174.990 -0.059 0.000 1.200 87 C CA -0.154 58.971 59.018 0.179 0.000 1.739 87 C CB 2.212 29.990 27.740 0.063 0.000 2.300 87 C HN 0.233 8.611 8.230 0.437 0.114 0.500 88 V N 4.895 124.482 119.914 -0.544 0.000 2.521 88 V HA 0.186 nan 4.120 nan 0.000 0.286 88 V C -1.204 174.757 176.094 -0.221 0.000 1.034 88 V CA -1.933 59.929 62.300 -0.730 0.000 1.045 88 V CB -0.017 31.218 31.823 -0.980 0.000 0.974 88 V HN 0.891 8.772 8.190 -0.516 0.000 0.480 89 P HA 0.388 nan 4.420 nan 0.000 0.275 89 P C -2.549 174.751 177.300 -0.001 0.000 1.228 89 P CA -2.481 60.647 63.100 0.047 0.000 0.786 89 P CB -0.498 31.282 31.700 0.134 0.000 0.927 90 P HA -0.040 nan 4.420 nan 0.000 0.265 90 P C -1.656 175.621 177.300 -0.039 0.000 1.193 90 P CA 0.353 63.405 63.100 -0.081 0.000 0.765 90 P CB 0.347 31.970 31.700 -0.127 0.000 0.823 91 F N 4.498 124.337 119.950 -0.185 0.000 2.556 91 F HA -0.054 nan 4.527 nan 0.000 0.344 91 F C -0.665 174.947 175.800 -0.314 0.000 1.255 91 F CA -0.156 57.699 58.000 -0.242 0.000 1.091 91 F CB -0.351 38.555 39.000 -0.157 0.000 1.325 91 F HN 0.238 8.617 8.300 0.132 0.000 0.627 92 T N 4.082 118.294 114.554 -0.570 0.000 2.940 92 T HA 0.338 nan 4.350 nan 0.000 0.288 92 T C 0.666 174.891 174.700 -0.792 0.000 1.045 92 T CA -2.212 59.518 62.100 -0.617 0.000 1.018 92 T CB 2.971 71.520 68.868 -0.532 0.000 1.151 92 T HN -0.207 7.697 8.240 -0.559 0.000 0.529 93 I N 1.747 121.921 120.570 -0.659 0.000 2.113 93 I HA -0.422 nan 4.170 nan 0.000 0.242 93 I C 1.066 176.834 176.117 -0.580 0.000 1.057 93 I CA 2.995 63.947 61.300 -0.580 0.000 1.314 93 I CB -0.183 37.576 38.000 -0.402 0.000 1.022 93 I HN 0.269 8.140 8.210 -0.564 0.000 0.408 94 E N -2.785 117.013 120.200 -0.671 0.000 2.338 94 E HA -0.215 nan 4.350 nan 0.000 0.197 94 E C 2.022 178.208 176.600 -0.691 0.000 1.007 94 E CA 3.027 59.098 56.400 -0.548 0.000 0.849 94 E CB -1.097 28.303 29.700 -0.500 0.000 0.774 94 E HN 0.524 8.394 8.360 -0.817 0.000 0.506 95 V N 1.329 120.664 119.914 -0.966 0.000 2.379 95 V HA -0.264 nan 4.120 nan 0.000 0.243 95 V C 2.415 178.152 176.094 -0.594 0.000 1.035 95 V CA 3.537 65.225 62.300 -1.021 0.000 1.035 95 V CB -0.514 30.731 31.823 -0.963 0.000 0.673 95 V HN -0.365 7.117 8.190 -0.936 0.146 0.457 96 K N 0.677 120.590 120.400 -0.811 0.000 2.103 96 K HA -0.322 nan 4.320 nan 0.000 0.207 96 K C 2.232 178.643 176.600 -0.315 0.000 1.048 96 K CA 3.302 59.078 56.287 -0.851 0.000 0.930 96 K CB -0.107 31.578 32.500 -1.358 0.000 0.716 96 K HN 0.388 8.055 8.250 -0.971 0.000 0.444 97 A N -3.506 119.179 122.820 -0.224 0.000 2.209 97 A HA -0.094 nan 4.320 nan 0.000 0.212 97 A C 0.586 178.239 177.584 0.114 0.000 1.158 97 A CA 2.109 54.158 52.037 0.019 0.000 0.742 97 A CB -0.639 18.353 19.000 -0.014 0.000 0.790 97 A HN 0.047 7.974 8.150 -0.353 0.012 0.472 98 N N -5.494 113.282 118.700 0.126 0.000 2.184 98 N HA 0.190 nan 4.740 nan 0.000 0.206 98 N C -1.738 173.963 175.510 0.319 0.000 1.151 98 N CA -0.079 53.122 53.050 0.251 0.000 0.878 98 N CB 2.386 41.138 38.487 0.442 0.000 1.014 98 N HN -0.282 7.902 8.380 0.016 0.205 0.512 99 T N -3.481 111.295 114.554 0.369 0.000 2.887 99 T HA 0.371 nan 4.350 nan 0.000 0.288 99 T C -0.351 174.746 174.700 0.661 0.000 1.021 99 T CA -1.939 60.510 62.100 0.582 0.000 1.000 99 T CB 2.376 71.565 68.868 0.535 0.000 1.034 99 T HN -0.799 7.536 8.240 0.333 0.105 0.467 100 Y N 3.339 123.921 120.300 0.470 0.000 2.359 100 Y HA -0.086 nan 4.550 nan 0.000 0.330 100 Y C 1.192 176.980 175.900 -0.186 0.000 1.143 100 Y CA 0.032 58.247 58.100 0.191 0.000 1.318 100 Y CB 0.409 39.014 38.460 0.242 0.000 1.234 100 Y HN 0.257 9.149 8.280 1.020 0.000 0.522 101 E N 5.259 125.088 120.200 -0.618 0.000 2.136 101 E HA -0.561 nan 4.350 nan 0.000 0.208 101 E C 2.317 178.586 176.600 -0.552 0.000 1.035 101 E CA 4.136 59.837 56.400 -1.165 0.000 0.838 101 E CB -0.403 28.852 29.700 -0.740 0.000 0.748 101 E HN 0.650 8.732 8.360 -0.463 0.000 0.459 102 K N -1.496 118.712 120.400 -0.320 0.000 2.144 102 K HA -0.304 nan 4.320 nan 0.000 0.209 102 K C 1.143 177.530 176.600 -0.356 0.000 1.047 102 K CA 2.520 58.574 56.287 -0.389 0.000 0.927 102 K CB -0.330 31.814 32.500 -0.593 0.000 0.716 102 K HN 0.137 8.234 8.250 -0.234 0.013 0.454 103 Y N -6.657 113.770 120.300 0.212 0.000 2.457 103 Y HA 0.121 nan 4.550 nan 0.000 0.263 103 Y C 0.879 177.160 175.900 0.636 0.000 1.164 103 Y CA -0.001 58.370 58.100 0.453 0.000 1.274 103 Y CB -0.116 38.736 38.460 0.655 0.000 1.097 103 Y HN -0.171 8.034 8.280 0.119 0.146 0.523 104 W N 0.072 121.570 121.300 0.330 0.000 2.321 104 W HA -0.142 nan 4.660 nan 0.000 0.306 104 W C -0.606 175.825 176.519 -0.146 0.000 1.217 104 W CA 2.991 60.352 57.345 0.027 0.000 1.257 104 W CB -2.975 26.594 29.460 0.182 0.000 1.145 104 W HN -0.014 8.270 8.180 0.368 0.116 0.509 105 P HA -0.129 nan 4.420 nan 0.000 0.223 105 P C 1.178 178.537 177.300 0.098 0.000 1.151 105 P CA 2.550 65.725 63.100 0.125 0.000 0.787 105 P CB -0.550 31.231 31.700 0.135 0.000 0.788 106 F N 1.218 121.189 119.950 0.035 0.000 2.128 106 F HA -0.338 nan 4.527 nan 0.000 0.295 106 F C 1.101 176.753 175.800 -0.247 0.000 1.100 106 F CA 3.810 61.764 58.000 -0.076 0.000 1.260 106 F CB 0.286 39.283 39.000 -0.005 0.000 1.009 106 F HN -0.511 7.903 8.300 0.425 0.141 0.476 107 Y N -1.877 118.272 120.300 -0.253 0.000 2.242 107 Y HA -0.500 nan 4.550 nan 0.000 0.291 107 Y C 2.653 178.241 175.900 -0.520 0.000 1.137 107 Y CA 4.269 62.063 58.100 -0.511 0.000 1.181 107 Y CB -0.440 37.677 38.460 -0.572 0.000 0.989 107 Y HN -0.383 8.057 8.280 0.268 0.000 0.527 108 Q N -0.684 118.886 119.800 -0.383 0.000 2.096 108 Q HA -0.344 nan 4.340 nan 0.000 0.204 108 Q C 1.573 177.499 176.000 -0.124 0.000 0.982 108 Q CA 3.143 58.827 55.803 -0.199 0.000 0.850 108 Q CB -0.063 28.609 28.738 -0.110 0.000 0.901 108 Q HN 0.186 8.135 8.270 -0.402 0.081 0.422 109 K N -1.704 118.603 120.400 -0.156 0.000 2.141 109 K HA -0.049 nan 4.320 nan 0.000 0.202 109 K C 1.792 178.286 176.600 -0.176 0.000 1.045 109 K CA 1.461 57.670 56.287 -0.130 0.000 0.971 109 K CB 0.228 32.669 32.500 -0.099 0.000 0.795 109 K HN -0.506 7.638 8.250 -0.178 0.000 0.459 110 Q N -3.238 116.330 119.800 -0.387 0.000 2.378 110 Q HA -0.025 nan 4.340 nan 0.000 0.205 110 Q C 1.249 177.046 176.000 -0.339 0.000 0.954 110 Q CA -0.234 55.292 55.803 -0.462 0.000 0.901 110 Q CB 0.494 28.556 28.738 -1.126 0.000 0.981 110 Q HN 0.079 7.946 8.270 -0.496 0.105 0.483 111 G N -1.978 106.609 108.800 -0.355 0.000 2.138 111 G HA2 -0.357 nan 3.960 nan 0.000 0.244 111 G HA3 -0.357 nan 3.960 nan 0.000 0.244 111 G C -0.261 174.421 174.900 -0.363 0.000 1.166 111 G CA 1.425 46.351 45.100 -0.290 0.000 0.902 111 G HN -0.440 7.516 8.290 -0.344 0.128 0.460 112 G N 5.708 114.274 108.800 -0.390 0.000 2.234 112 G HA2 -0.379 nan 3.960 nan 0.000 0.235 112 G HA3 -0.379 nan 3.960 nan 0.000 0.235 112 G C -0.549 173.968 174.900 -0.637 0.000 0.997 112 G CA -0.147 44.659 45.100 -0.489 0.000 0.623 112 G HN 0.044 8.138 8.290 -0.328 0.000 0.514 113 H N -0.466 118.396 119.070 -0.347 0.000 2.630 113 H HA 0.326 nan 4.556 nan 0.000 0.343 113 H C -0.832 174.268 175.328 -0.380 0.000 1.232 113 H CA -1.352 54.476 56.048 -0.367 0.000 1.294 113 H CB 1.793 31.395 29.762 -0.268 0.000 1.746 113 H HN -0.144 7.796 8.280 -0.440 0.076 0.593 114 Y N -3.132 117.186 120.300 0.031 0.000 2.314 114 Y HA -0.036 nan 4.550 nan 0.000 0.334 114 Y C 0.113 175.983 175.900 -0.050 0.000 1.266 114 Y CA 0.692 58.816 58.100 0.041 0.000 1.391 114 Y CB 0.564 39.100 38.460 0.126 0.000 1.306 114 Y HN 0.084 8.376 8.280 0.019 0.000 0.558 115 F N 3.375 123.435 119.950 0.183 0.000 2.490 115 F HA -0.032 nan 4.527 nan 0.000 0.336 115 F C -1.030 174.819 175.800 0.083 0.000 1.178 115 F CA -0.104 57.893 58.000 -0.005 0.000 1.301 115 F CB -0.210 38.761 39.000 -0.048 0.000 1.175 115 F HN -0.212 8.444 8.300 0.593 0.000 0.593 116 P HA -0.082 nan 4.420 nan 0.000 0.251 116 P C -0.075 177.393 177.300 0.280 0.000 1.154 116 P CA 0.450 63.702 63.100 0.254 0.000 0.805 116 P CB -0.094 31.801 31.700 0.326 0.000 0.759 117 K N 4.860 125.382 120.400 0.204 0.000 2.218 117 K HA -0.450 nan 4.320 nan 0.000 0.205 117 K C 1.267 177.962 176.600 0.158 0.000 1.046 117 K CA 3.983 60.364 56.287 0.157 0.000 0.933 117 K CB -0.222 32.328 32.500 0.084 0.000 0.728 117 K HN 0.647 9.004 8.250 0.177 0.000 0.454 118 D N -4.656 115.847 120.400 0.172 0.000 2.149 118 D HA -0.217 nan 4.640 nan 0.000 0.201 118 D C 1.914 178.320 176.300 0.176 0.000 0.972 118 D CA 2.940 57.026 54.000 0.143 0.000 0.835 118 D CB -0.923 39.954 40.800 0.128 0.000 0.966 118 D HN 0.295 8.745 8.370 0.180 0.028 0.476 119 H N 0.787 119.965 119.070 0.181 0.000 2.389 119 H HA -0.168 nan 4.556 nan 0.000 0.299 119 H C 2.126 177.568 175.328 0.190 0.000 1.081 119 H CA 2.992 59.170 56.048 0.216 0.000 1.345 119 H CB 0.508 30.493 29.762 0.371 0.000 1.393 119 H HN -0.625 7.792 8.280 0.385 0.094 0.520 120 L N -1.570 119.878 121.223 0.376 0.000 2.083 120 L HA -0.425 nan 4.340 nan 0.000 0.209 120 L C 1.527 178.496 176.870 0.165 0.000 1.083 120 L CA 3.019 58.026 54.840 0.278 0.000 0.752 120 L CB -0.323 41.880 42.059 0.240 0.000 0.899 120 L HN 0.217 8.670 8.230 0.371 0.000 0.433 121 K N -0.741 119.732 120.400 0.121 0.000 2.097 121 K HA -0.365 nan 4.320 nan 0.000 0.206 121 K C 2.312 178.931 176.600 0.030 0.000 1.049 121 K CA 3.486 59.811 56.287 0.064 0.000 0.933 121 K CB -0.325 32.206 32.500 0.051 0.000 0.717 121 K HN -0.405 7.917 8.250 0.142 0.013 0.442 122 K N -1.611 118.798 120.400 0.014 0.000 2.103 122 K HA -0.242 nan 4.320 nan 0.000 0.204 122 K C 2.207 178.778 176.600 -0.049 0.000 1.052 122 K CA 2.864 59.126 56.287 -0.042 0.000 0.945 122 K CB -0.149 32.284 32.500 -0.112 0.000 0.722 122 K HN -0.763 7.409 8.250 0.036 0.100 0.443 123 A N 0.273 123.094 122.820 0.002 0.000 1.877 123 A HA -0.199 nan 4.320 nan 0.000 0.216 123 A C 2.136 179.668 177.584 -0.086 0.000 1.186 123 A CA 3.168 55.185 52.037 -0.034 0.000 0.620 123 A CB -0.768 18.294 19.000 0.104 0.000 0.822 123 A HN -0.450 7.654 8.150 0.066 0.086 0.443 124 V N -0.768 119.143 119.914 -0.006 0.000 2.252 124 V HA -0.552 nan 4.120 nan 0.000 0.249 124 V C 1.911 177.978 176.094 -0.045 0.000 1.056 124 V CA 4.507 66.803 62.300 -0.007 0.000 1.022 124 V CB -1.213 30.627 31.823 0.029 0.000 0.641 124 V HN 0.149 8.365 8.190 0.043 0.000 0.445 125 A N -2.230 120.566 122.820 -0.041 0.000 1.883 125 A HA -0.422 nan 4.320 nan 0.000 0.217 125 A C 2.159 179.697 177.584 -0.075 0.000 1.186 125 A CA 3.475 55.483 52.037 -0.047 0.000 0.624 125 A CB -0.847 18.130 19.000 -0.039 0.000 0.822 125 A HN -0.371 7.763 8.150 -0.026 0.000 0.444 126 E N -1.425 118.707 120.200 -0.113 0.000 2.110 126 E HA -0.317 nan 4.350 nan 0.000 0.193 126 E C 2.644 179.135 176.600 -0.182 0.000 0.988 126 E CA 2.815 59.126 56.400 -0.147 0.000 0.804 126 E CB -0.087 29.494 29.700 -0.197 0.000 0.745 126 E HN -0.474 7.818 8.360 -0.112 0.000 0.458 127 I N -0.626 119.801 120.570 -0.238 0.000 2.353 127 I HA -0.330 nan 4.170 nan 0.000 0.248 127 I C 2.208 178.266 176.117 -0.099 0.000 1.119 127 I CA 2.046 63.200 61.300 -0.243 0.000 1.417 127 I CB -1.397 36.409 38.000 -0.323 0.000 1.078 127 I HN 0.334 8.406 8.210 -0.230 0.000 0.421 128 E N -0.207 119.953 120.200 -0.067 0.000 2.110 128 E HA -0.357 nan 4.350 nan 0.000 0.193 128 E C 2.836 179.421 176.600 -0.026 0.000 0.988 128 E CA 3.167 59.550 56.400 -0.030 0.000 0.804 128 E CB -0.837 28.850 29.700 -0.021 0.000 0.745 128 E HN 0.086 8.399 8.360 -0.077 0.000 0.458 129 E N -0.003 120.175 120.200 -0.037 0.000 2.072 129 E HA -0.223 nan 4.350 nan 0.000 0.191 129 E C 2.073 178.664 176.600 -0.015 0.000 0.985 129 E CA 2.140 58.525 56.400 -0.026 0.000 0.801 129 E CB -0.549 29.132 29.700 -0.032 0.000 0.750 129 E HN -0.670 7.652 8.360 -0.052 0.007 0.452 130 M N 0.331 119.921 119.600 -0.016 0.000 2.082 130 M HA -0.441 nan 4.480 nan 0.000 0.258 130 M C 1.972 178.282 176.300 0.017 0.000 1.069 130 M CA 4.096 59.407 55.300 0.019 0.000 1.102 130 M CB 0.017 32.633 32.600 0.027 0.000 1.336 130 M HN -0.423 7.841 8.290 -0.042 0.000 0.404 131 C N -1.613 117.693 119.300 0.010 0.000 2.425 131 C HA -0.411 nan 4.460 nan 0.000 0.277 131 C C 2.182 177.178 174.990 0.010 0.000 1.280 131 C CA 4.008 63.037 59.018 0.019 0.000 1.744 131 C CB -2.244 25.509 27.740 0.021 0.000 1.989 131 C HN 0.318 8.472 8.230 -0.004 0.074 0.491 132 N N 0.774 119.474 118.700 0.001 0.000 2.084 132 N HA -0.229 nan 4.740 nan 0.000 0.190 132 N C 2.067 177.574 175.510 -0.006 0.000 1.030 132 N CA 3.191 56.239 53.050 -0.003 0.000 0.849 132 N CB -0.491 37.992 38.487 -0.008 0.000 1.012 132 N HN -0.307 7.965 8.380 -0.003 0.107 0.423 133 I N 0.564 121.128 120.570 -0.010 0.000 2.286 133 I HA -0.496 nan 4.170 nan 0.000 0.248 133 I C 1.799 177.905 176.117 -0.017 0.000 1.115 133 I CA 4.097 65.385 61.300 -0.019 0.000 1.392 133 I CB -0.227 37.755 38.000 -0.029 0.000 1.065 133 I HN 0.264 8.469 8.210 -0.008 0.000 0.418 134 L N -0.496 120.723 121.223 -0.006 0.000 2.017 134 L HA -0.505 nan 4.340 nan 0.000 0.208 134 L C 1.999 178.869 176.870 -0.001 0.000 1.073 134 L CA 3.642 58.481 54.840 -0.002 0.000 0.745 134 L CB -0.559 41.510 42.059 0.017 0.000 0.894 134 L HN 0.154 8.296 8.230 0.001 0.089 0.432 135 K N -1.271 119.131 120.400 0.003 0.000 2.097 135 K HA -0.324 nan 4.320 nan 0.000 0.206 135 K C 3.134 179.733 176.600 -0.002 0.000 1.049 135 K CA 3.711 60.000 56.287 0.004 0.000 0.933 135 K CB -0.385 32.119 32.500 0.006 0.000 0.717 135 K HN -0.045 8.208 8.250 0.005 0.000 0.442 136 T N 2.193 116.743 114.554 -0.007 0.000 2.788 136 T HA -0.186 nan 4.350 nan 0.000 0.268 136 T C 1.457 176.149 174.700 -0.014 0.000 1.044 136 T CA 3.571 65.664 62.100 -0.011 0.000 1.139 136 T CB -0.420 68.439 68.868 -0.015 0.000 0.867 136 T HN -0.013 8.148 8.240 -0.008 0.074 0.454 137 E N -2.035 118.155 120.200 -0.017 0.000 2.512 137 E HA 0.079 nan 4.350 nan 0.000 0.195 137 E C 0.809 177.401 176.600 -0.013 0.000 1.083 137 E CA -0.599 55.789 56.400 -0.020 0.000 0.873 137 E CB -0.215 29.467 29.700 -0.030 0.000 0.897 137 E HN -0.190 8.046 8.360 -0.017 0.114 0.514 138 G N -1.443 107.353 108.800 -0.007 0.000 2.136 138 G HA2 -0.460 nan 3.960 nan 0.000 0.242 138 G HA3 -0.460 nan 3.960 nan 0.000 0.242 138 G C -0.707 174.193 174.900 -0.000 0.000 0.989 138 G CA 0.506 45.605 45.100 -0.003 0.000 0.682 138 G HN -0.142 7.929 8.290 -0.007 0.215 0.522 139 V N 0.480 120.394 119.914 0.001 0.000 2.481 139 V HA 0.132 nan 4.120 nan 0.000 0.286 139 V C 0.084 176.187 176.094 0.015 0.000 1.042 139 V CA -0.652 61.652 62.300 0.006 0.000 0.928 139 V CB 0.569 32.395 31.823 0.005 0.000 0.986 139 V HN -0.370 7.788 8.190 -0.001 0.031 0.462 140 T N 9.060 123.627 114.554 0.021 0.000 2.780 140 T HA 0.187 nan 4.350 nan 0.000 0.294 140 T C -1.283 173.445 174.700 0.047 0.000 0.949 140 T CA 0.257 62.377 62.100 0.033 0.000 1.074 140 T CB 0.195 69.088 68.868 0.041 0.000 0.910 140 T HN 0.548 8.679 8.240 0.017 0.119 0.501 141 V N 5.709 125.651 119.914 0.047 0.000 2.435 141 V HA 0.557 nan 4.120 nan 0.000 0.290 141 V C -0.505 175.627 176.094 0.063 0.000 1.030 141 V CA -1.070 61.265 62.300 0.057 0.000 0.881 141 V CB 1.370 33.222 31.823 0.049 0.000 0.983 141 V HN 0.364 8.577 8.190 0.039 0.000 0.445 142 R N 5.878 126.426 120.500 0.080 0.000 2.803 142 R HA 0.462 nan 4.340 nan 0.000 0.276 142 R C -2.098 174.245 176.300 0.071 0.000 0.978 142 R CA -2.688 53.453 56.100 0.067 0.000 0.939 142 R CB 3.435 33.784 30.300 0.082 0.000 1.179 142 R HN 0.402 8.729 8.270 0.094 0.000 0.472 143 R N 0.903 121.429 120.500 0.044 0.000 2.795 143 R HA 0.605 nan 4.340 nan 0.000 0.275 143 R C -2.726 173.567 176.300 -0.011 0.000 0.981 143 R CA -3.583 52.542 56.100 0.042 0.000 0.917 143 R CB 1.061 31.384 30.300 0.039 0.000 1.202 143 R HN 0.274 8.557 8.270 0.022 0.000 0.469 144 P HA 0.289 nan 4.420 nan 0.000 0.274 144 P C -1.104 176.123 177.300 -0.122 0.000 1.246 144 P CA -0.636 62.317 63.100 -0.245 0.000 0.795 144 P CB 1.030 32.356 31.700 -0.624 0.000 1.006 145 D N 0.772 121.102 120.400 -0.118 0.000 2.362 145 D HA 0.215 nan 4.640 nan 0.000 0.242 145 D C -1.303 174.975 176.300 -0.037 0.000 1.132 145 D CA -0.626 53.336 54.000 -0.064 0.000 0.907 145 D CB -0.512 40.246 40.800 -0.070 0.000 1.195 145 D HN 0.001 8.274 8.370 -0.161 0.000 0.429 146 P HA 0.104 nan 4.420 nan 0.000 0.280 146 P C -1.241 176.008 177.300 -0.084 0.000 1.244 146 P CA 0.187 63.282 63.100 -0.008 0.000 0.784 146 P CB 0.632 32.327 31.700 -0.007 0.000 0.913 147 I N 0.772 121.258 120.570 -0.141 0.000 2.841 147 I HA 0.044 nan 4.170 nan 0.000 0.298 147 I C -1.886 173.951 176.117 -0.466 0.000 1.304 147 I CA -1.567 59.495 61.300 -0.396 0.000 1.019 147 I CB 4.921 42.490 38.000 -0.717 0.000 1.282 147 I HN -0.384 7.807 8.210 -0.032 0.000 0.432 148 D N 4.585 124.759 120.400 -0.377 0.000 2.380 148 D HA 0.099 nan 4.640 nan 0.000 0.230 148 D C 0.039 176.207 176.300 -0.219 0.000 1.154 148 D CA -1.162 52.748 54.000 -0.150 0.000 0.859 148 D CB -0.276 40.516 40.800 -0.014 0.000 1.045 148 D HN 0.141 8.306 8.370 -0.342 0.000 0.495 149 W N 4.579 126.007 121.300 0.213 0.000 3.204 149 W HA -0.042 nan 4.660 nan 0.000 0.249 149 W C 0.066 176.651 176.519 0.110 0.000 1.322 149 W CA 0.133 57.588 57.345 0.183 0.000 1.593 149 W CB -0.889 28.702 29.460 0.220 0.000 1.122 149 W HN 0.220 8.590 8.180 0.318 0.000 0.710 150 S N -1.075 114.730 115.700 0.175 0.000 2.528 150 S HA -0.138 nan 4.470 nan 0.000 0.219 150 S C 0.130 174.724 174.600 -0.010 0.000 0.985 150 S CA 1.362 59.545 58.200 -0.028 0.000 0.914 150 S CB 0.070 63.130 63.200 -0.233 0.000 0.776 150 S HN -0.431 8.189 8.310 0.183 -0.200 0.526 151 L N 2.765 124.012 121.223 0.041 0.000 2.540 151 L HA -0.122 nan 4.340 nan 0.000 0.276 151 L C -1.440 175.464 176.870 0.058 0.000 1.212 151 L CA 0.240 55.099 54.840 0.032 0.000 0.893 151 L CB 1.117 43.189 42.059 0.023 0.000 1.138 151 L HN -0.847 7.372 8.230 0.055 0.043 0.491 152 K N 6.714 127.102 120.400 -0.020 0.000 2.234 152 K HA 0.256 nan 4.320 nan 0.000 0.277 152 K C -1.287 175.284 176.600 -0.049 0.000 1.038 152 K CA -0.913 55.305 56.287 -0.115 0.000 0.888 152 K CB 0.792 33.216 32.500 -0.128 0.000 1.091 152 K HN -0.121 8.111 8.250 -0.029 0.000 0.467 153 Y N 3.901 124.221 120.300 0.034 0.000 2.568 153 Y HA 0.423 nan 4.550 nan 0.000 0.327 153 Y C -2.389 173.488 175.900 -0.039 0.000 1.163 153 Y CA -2.699 55.404 58.100 0.004 0.000 1.219 153 Y CB 2.610 41.121 38.460 0.085 0.000 1.308 153 Y HN 0.758 8.556 8.280 -0.804 0.000 0.503 154 K N 0.811 121.272 120.400 0.102 0.000 2.581 154 K HA 0.396 nan 4.320 nan 0.000 0.249 154 K C -1.372 175.130 176.600 -0.162 0.000 0.966 154 K CA -0.946 55.279 56.287 -0.103 0.000 0.811 154 K CB 2.352 34.798 32.500 -0.089 0.000 1.223 154 K HN -0.026 8.323 8.250 0.166 0.000 0.438 155 T N 2.535 116.823 114.554 -0.444 0.000 2.923 155 T HA 0.559 nan 4.350 nan 0.000 0.281 155 T C -0.844 173.678 174.700 -0.296 0.000 0.995 155 T CA -3.292 58.557 62.100 -0.418 0.000 0.985 155 T CB -0.395 68.014 68.868 -0.765 0.000 1.114 155 T HN 0.696 8.496 8.240 -0.732 0.000 0.548 156 P HA 0.065 nan 4.420 nan 0.000 0.234 156 P C -0.960 176.299 177.300 -0.069 0.000 1.167 156 P CA 1.375 64.418 63.100 -0.094 0.000 0.763 156 P CB 0.274 31.948 31.700 -0.044 0.000 0.835 157 D N -3.327 117.015 120.400 -0.096 0.000 2.422 157 D HA 0.165 nan 4.640 nan 0.000 0.218 157 D C -0.618 175.770 176.300 0.147 0.000 1.047 157 D CA 1.203 55.238 54.000 0.058 0.000 0.885 157 D CB 2.983 43.903 40.800 0.200 0.000 1.035 157 D HN -0.133 8.016 8.370 -0.231 0.082 0.502 158 F N -5.523 114.406 119.950 -0.035 0.000 2.817 158 F HA 0.394 nan 4.527 nan 0.000 0.317 158 F C -3.305 172.464 175.800 -0.052 0.000 1.168 158 F CA -1.306 56.670 58.000 -0.040 0.000 0.911 158 F CB 1.434 40.419 39.000 -0.025 0.000 1.337 158 F HN -0.850 7.147 8.300 -0.505 0.000 0.464 159 E N -0.888 119.363 120.200 0.086 0.000 2.317 159 E HA 0.756 nan 4.350 nan 0.000 0.270 159 E C -2.154 174.458 176.600 0.019 0.000 0.885 159 E CA -1.542 54.815 56.400 -0.072 0.000 0.760 159 E CB 3.227 32.875 29.700 -0.087 0.000 1.227 159 E HN -0.048 8.458 8.360 0.244 0.000 0.434 160 S N 1.544 117.089 115.700 -0.258 0.000 2.643 160 S HA 0.272 nan 4.470 nan 0.000 0.266 160 S C -2.555 171.687 174.600 -0.596 0.000 1.130 160 S CA -0.308 57.713 58.200 -0.299 0.000 0.817 160 S CB 2.418 65.582 63.200 -0.061 0.000 1.107 160 S HN 0.646 8.677 8.310 -0.465 0.000 0.471 161 T N -3.102 111.274 114.554 -0.297 0.000 2.937 161 T HA 0.817 nan 4.350 nan 0.000 0.283 161 T C -0.128 174.648 174.700 0.127 0.000 1.012 161 T CA -2.315 59.700 62.100 -0.141 0.000 0.997 161 T CB 2.606 71.411 68.868 -0.105 0.000 1.136 161 T HN -0.079 8.052 8.240 -0.182 0.000 0.551 162 G N -0.384 108.632 108.800 0.360 0.000 2.537 162 G HA2 0.467 nan 3.960 nan 0.000 0.297 162 G HA3 0.467 nan 3.960 nan 0.000 0.297 162 G C -1.676 173.400 174.900 0.294 0.000 1.310 162 G CA -0.936 44.493 45.100 0.548 0.000 1.027 162 G HN -0.126 8.349 8.290 0.308 0.000 0.505 163 L N -1.348 119.928 121.223 0.089 0.000 3.277 163 L HA 0.465 nan 4.340 nan 0.000 0.178 163 L C -1.700 174.894 176.870 -0.460 0.000 1.384 163 L CA -0.503 54.211 54.840 -0.209 0.000 1.254 163 L CB 2.566 44.378 42.059 -0.412 0.000 1.593 163 L HN -0.105 8.163 8.230 0.064 0.000 0.748 164 Y N -7.935 111.875 120.300 -0.817 0.000 2.818 164 Y HA 0.406 nan 4.550 nan 0.000 0.341 164 Y C -2.018 173.231 175.900 -1.085 0.000 1.283 164 Y CA -2.093 55.309 58.100 -1.163 0.000 1.075 164 Y CB 0.833 39.072 38.460 -0.369 0.000 1.370 164 Y HN -0.741 6.970 8.280 -0.948 0.000 0.448 165 S N -1.192 114.366 115.700 -0.237 0.000 2.592 165 S HA 0.257 nan 4.470 nan 0.000 0.243 165 S C 0.785 175.316 174.600 -0.114 0.000 1.160 165 S CA -2.131 56.043 58.200 -0.044 0.000 1.145 165 S CB 0.361 63.597 63.200 0.060 0.000 0.909 165 S HN 0.439 8.706 8.310 -0.070 0.000 0.487 166 A N 2.029 124.559 122.820 -0.484 0.000 1.898 166 A HA -0.037 nan 4.320 nan 0.000 0.214 166 A C -0.868 176.155 177.584 -0.936 0.000 1.183 166 A CA 2.505 53.954 52.037 -0.981 0.000 0.622 166 A CB 0.127 18.029 19.000 -1.829 0.000 0.824 166 A HN 0.007 7.797 8.150 -0.472 0.077 0.444 167 M N -4.458 114.755 119.600 -0.645 0.000 2.208 167 M HA 0.408 nan 4.480 nan 0.000 0.352 167 M C -1.924 174.270 176.300 -0.176 0.000 1.137 167 M CA -4.467 50.565 55.300 -0.447 0.000 1.091 167 M CB -1.264 31.095 32.600 -0.400 0.000 1.309 167 M HN -0.351 7.653 8.290 -0.475 0.000 0.408 168 P HA -0.134 nan 4.420 nan 0.000 0.220 168 P C 0.755 177.936 177.300 -0.199 0.000 1.148 168 P CA 2.161 65.193 63.100 -0.114 0.000 0.803 168 P CB -0.046 31.674 31.700 0.034 0.000 0.782 169 R N -2.983 117.419 120.500 -0.163 0.000 2.152 169 R HA -0.266 nan 4.340 nan 0.000 0.232 169 R C 0.754 176.956 176.300 -0.164 0.000 1.117 169 R CA 2.552 58.559 56.100 -0.155 0.000 0.981 169 R CB -0.601 29.613 30.300 -0.143 0.000 0.870 169 R HN -0.692 7.463 8.270 -0.149 0.026 0.451 170 D N -2.978 117.292 120.400 -0.216 0.000 2.224 170 D HA -0.046 nan 4.640 nan 0.000 0.205 170 D C 0.935 177.141 176.300 -0.157 0.000 0.965 170 D CA 2.909 56.771 54.000 -0.231 0.000 0.852 170 D CB 0.739 41.407 40.800 -0.220 0.000 0.947 170 D HN -0.468 7.631 8.370 -0.216 0.142 0.494 171 I N -3.330 117.124 120.570 -0.193 0.000 4.312 171 I HA 0.194 nan 4.170 nan 0.000 0.324 171 I C -1.970 174.016 176.117 -0.218 0.000 1.298 171 I CA 0.095 61.268 61.300 -0.211 0.000 1.231 171 I CB 2.135 39.997 38.000 -0.229 0.000 1.152 171 I HN -0.726 7.200 8.210 -0.225 0.149 0.421 172 L N -1.535 119.548 121.223 -0.233 0.000 2.365 172 L HA 0.583 nan 4.340 nan 0.000 0.273 172 L C -1.831 174.979 176.870 -0.100 0.000 1.000 172 L CA -0.959 53.777 54.840 -0.174 0.000 0.819 172 L CB 2.688 44.609 42.059 -0.230 0.000 1.284 172 L HN -0.270 7.811 8.230 -0.249 0.000 0.418 173 I N 0.855 121.390 120.570 -0.057 0.000 2.686 173 I HA 0.381 nan 4.170 nan 0.000 0.295 173 I C -2.623 173.467 176.117 -0.045 0.000 1.114 173 I CA -2.099 59.178 61.300 -0.039 0.000 1.038 173 I CB 4.487 42.473 38.000 -0.023 0.000 1.238 173 I HN 0.235 8.418 8.210 -0.046 0.000 0.420 174 V N 6.885 126.762 119.914 -0.062 0.000 2.448 174 V HA 0.634 nan 4.120 nan 0.000 0.295 174 V C -1.591 174.432 176.094 -0.119 0.000 1.025 174 V CA -0.973 61.274 62.300 -0.088 0.000 0.859 174 V CB 1.433 33.185 31.823 -0.117 0.000 0.988 174 V HN 0.158 8.314 8.190 -0.057 0.000 0.431 175 V N 6.427 126.258 119.914 -0.139 0.000 2.380 175 V HA 0.576 nan 4.120 nan 0.000 0.286 175 V C 0.351 176.355 176.094 -0.151 0.000 1.015 175 V CA -1.569 60.602 62.300 -0.215 0.000 0.834 175 V CB 0.645 32.238 31.823 -0.384 0.000 1.009 175 V HN 0.325 8.454 8.190 -0.101 0.000 0.428 176 G N 8.275 116.956 108.800 -0.199 0.000 2.543 176 G HA2 -0.446 nan 3.960 nan 0.000 0.286 176 G HA3 -0.446 nan 3.960 nan 0.000 0.286 176 G C -0.450 174.310 174.900 -0.233 0.000 1.153 176 G CA 1.447 46.423 45.100 -0.206 0.000 0.968 176 G HN 0.385 8.505 8.290 -0.284 0.000 0.544 177 N N 4.934 123.602 118.700 -0.052 0.000 2.238 177 N HA 0.111 nan 4.740 nan 0.000 0.222 177 N C -1.746 173.768 175.510 0.006 0.000 1.133 177 N CA -0.545 52.480 53.050 -0.043 0.000 0.854 177 N CB 0.782 39.277 38.487 0.014 0.000 1.041 177 N HN 0.083 8.491 8.380 0.046 0.000 0.510 178 E N 0.322 120.528 120.200 0.010 0.000 2.187 178 E HA 0.559 nan 4.350 nan 0.000 0.268 178 E C -2.755 173.876 176.600 0.052 0.000 0.896 178 E CA -1.597 54.847 56.400 0.073 0.000 0.766 178 E CB 3.206 32.969 29.700 0.104 0.000 1.142 178 E HN -0.406 7.746 8.360 -0.030 0.190 0.408 179 I N 6.062 126.696 120.570 0.108 0.000 2.354 179 I HA 0.670 nan 4.170 nan 0.000 0.292 179 I C -2.287 173.919 176.117 0.147 0.000 0.989 179 I CA -1.377 59.971 61.300 0.080 0.000 1.188 179 I CB 2.333 40.364 38.000 0.053 0.000 1.342 179 I HN 0.595 8.909 8.210 0.173 0.000 0.457 180 I N 9.090 129.713 120.570 0.087 0.000 2.406 180 I HA 0.390 nan 4.170 nan 0.000 0.290 180 I C -1.494 174.638 176.117 0.024 0.000 0.999 180 I CA -1.127 60.230 61.300 0.094 0.000 1.124 180 I CB 1.649 39.707 38.000 0.097 0.000 1.289 180 I HN 0.892 9.124 8.210 0.037 0.000 0.441 181 E N 6.935 127.139 120.200 0.006 0.000 2.200 181 E HA 0.381 nan 4.350 nan 0.000 0.283 181 E C -1.045 175.425 176.600 -0.217 0.000 1.015 181 E CA -1.358 54.990 56.400 -0.086 0.000 0.819 181 E CB 1.120 30.790 29.700 -0.051 0.000 1.081 181 E HN 0.472 8.861 8.360 0.048 0.000 0.397 182 A N 5.273 127.927 122.820 -0.276 0.000 2.386 182 A HA 0.236 nan 4.320 nan 0.000 0.248 182 A C -1.649 175.563 177.584 -0.620 0.000 1.082 182 A CA -1.968 49.729 52.037 -0.566 0.000 0.789 182 A CB -0.831 17.903 19.000 -0.444 0.000 1.025 182 A HN 0.760 8.668 8.150 -0.214 0.113 0.490 183 P HA -0.094 nan 4.420 nan 0.000 0.217 183 P C -0.768 176.274 177.300 -0.431 0.000 1.151 183 P CA 1.342 64.068 63.100 -0.624 0.000 0.828 183 P CB 0.440 31.748 31.700 -0.653 0.000 0.788 184 M N -4.815 114.547 119.600 -0.396 0.000 7.319 184 M HA -0.399 nan 4.480 nan 0.000 0.128 184 M C -0.936 175.310 176.300 -0.089 0.000 0.480 184 M CA 0.819 56.001 55.300 -0.197 0.000 1.311 184 M CB -1.568 30.953 32.600 -0.132 0.000 0.421 184 M HN -0.124 7.824 8.290 -0.570 0.000 0.431 185 A N -2.370 120.479 122.820 0.049 0.000 2.733 185 A HA 0.264 nan 4.320 nan 0.000 0.232 185 A C -1.950 175.892 177.584 0.429 0.000 1.251 185 A CA 0.537 52.689 52.037 0.191 0.000 1.015 185 A CB 1.401 20.511 19.000 0.183 0.000 1.291 185 A HN 0.371 8.541 8.150 0.033 0.000 0.595 186 W N -2.353 118.974 121.300 0.045 0.000 2.606 186 W HA 0.459 nan 4.660 nan 0.000 0.332 186 W C 1.105 177.614 176.519 -0.017 0.000 1.052 186 W CA -2.580 54.761 57.345 -0.007 0.000 1.223 186 W CB 1.453 30.900 29.460 -0.023 0.000 1.383 186 W HN -0.692 7.672 8.180 0.307 0.000 0.524 187 R N 4.142 124.643 120.500 0.002 0.000 2.096 187 R HA -0.353 nan 4.340 nan 0.000 0.235 187 R C 1.972 178.414 176.300 0.238 0.000 1.127 187 R CA 3.971 59.952 56.100 -0.198 0.000 0.968 187 R CB -0.142 29.775 30.300 -0.638 0.000 0.861 187 R HN 0.424 8.886 8.270 -0.156 -0.286 0.440 188 S N -2.276 113.559 115.700 0.226 0.000 2.547 188 S HA -0.136 nan 4.470 nan 0.000 0.235 188 S C 1.299 176.142 174.600 0.406 0.000 0.980 188 S CA 2.051 60.449 58.200 0.331 0.000 0.941 188 S CB -0.412 62.912 63.200 0.207 0.000 0.763 188 S HN 0.266 8.646 8.310 0.117 0.000 0.532 189 R N 0.164 120.884 120.500 0.367 0.000 2.509 189 R HA 0.132 nan 4.340 nan 0.000 0.300 189 R C 0.608 177.037 176.300 0.214 0.000 0.985 189 R CA -0.761 55.477 56.100 0.229 0.000 1.092 189 R CB -0.257 30.101 30.300 0.097 0.000 1.237 189 R HN -0.430 7.867 8.270 0.379 0.200 0.546 190 F N 2.875 122.927 119.950 0.170 0.000 2.126 190 F HA -0.367 nan 4.527 nan 0.000 0.299 190 F C -0.284 175.370 175.800 -0.242 0.000 1.096 190 F CA 4.585 62.561 58.000 -0.040 0.000 1.255 190 F CB 0.576 39.575 39.000 -0.002 0.000 0.997 190 F HN -0.591 8.001 8.300 0.588 0.061 0.479 191 F N -4.996 115.001 119.950 0.079 0.000 2.837 191 F HA 0.156 nan 4.527 nan 0.000 0.298 191 F C 0.744 176.439 175.800 -0.175 0.000 1.161 191 F CA -1.483 56.351 58.000 -0.276 0.000 1.353 191 F CB -0.888 37.897 39.000 -0.359 0.000 0.951 191 F HN -0.498 7.945 8.300 0.239 0.000 0.508 192 E N 2.371 122.675 120.200 0.172 0.000 2.204 192 E HA -0.327 nan 4.350 nan 0.000 0.194 192 E C 1.519 178.334 176.600 0.359 0.000 0.989 192 E CA 3.293 59.874 56.400 0.301 0.000 0.824 192 E CB -0.059 29.715 29.700 0.124 0.000 0.756 192 E HN -0.556 7.805 8.360 0.124 0.073 0.477 193 Y N -4.159 116.313 120.300 0.286 0.000 2.384 193 Y HA -0.301 nan 4.550 nan 0.000 0.289 193 Y C 1.851 177.944 175.900 0.323 0.000 1.152 193 Y CA 1.298 59.564 58.100 0.278 0.000 1.258 193 Y CB -1.145 37.387 38.460 0.121 0.000 0.979 193 Y HN -0.071 8.312 8.280 0.212 0.024 0.549 194 R N -0.099 120.351 120.500 -0.083 0.000 2.105 194 R HA -0.433 nan 4.340 nan 0.000 0.239 194 R C 2.433 178.779 176.300 0.076 0.000 1.135 194 R CA 2.924 59.014 56.100 -0.016 0.000 0.967 194 R CB -0.653 29.540 30.300 -0.179 0.000 0.861 194 R HN -0.503 7.475 8.270 -0.414 0.043 0.442 195 A N -1.059 121.849 122.820 0.147 0.000 2.019 195 A HA -0.138 nan 4.320 nan 0.000 0.219 195 A C 0.854 178.336 177.584 -0.171 0.000 1.164 195 A CA 2.509 54.538 52.037 -0.012 0.000 0.644 195 A CB -0.273 18.761 19.000 0.057 0.000 0.805 195 A HN -0.344 7.969 8.150 0.298 0.015 0.449 196 Y N -6.455 113.912 120.300 0.111 0.000 2.467 196 Y HA 0.237 nan 4.550 nan 0.000 0.250 196 Y C 1.154 177.046 175.900 -0.012 0.000 1.155 196 Y CA -0.631 57.496 58.100 0.046 0.000 1.249 196 Y CB -0.155 38.335 38.460 0.049 0.000 1.146 196 Y HN -0.382 7.980 8.280 0.403 0.159 0.524 197 R N 0.469 121.061 120.500 0.154 0.000 2.120 197 R HA -0.289 nan 4.340 nan 0.000 0.234 197 R C 1.851 178.118 176.300 -0.054 0.000 1.123 197 R CA 2.639 58.774 56.100 0.058 0.000 0.975 197 R CB -0.895 29.503 30.300 0.163 0.000 0.866 197 R HN -0.758 7.621 8.270 0.183 0.000 0.446 198 S N -0.433 115.246 115.700 -0.035 0.000 2.368 198 S HA -0.237 nan 4.470 nan 0.000 0.225 198 S C 1.930 176.445 174.600 -0.142 0.000 1.030 198 S CA 3.821 61.984 58.200 -0.061 0.000 0.999 198 S CB -0.694 62.477 63.200 -0.048 0.000 0.844 198 S HN -0.012 8.293 8.310 -0.008 0.000 0.459 199 I N 1.964 122.428 120.570 -0.177 0.000 2.202 199 I HA -0.372 nan 4.170 nan 0.000 0.242 199 I C 1.574 177.372 176.117 -0.532 0.000 1.091 199 I CA 3.373 64.456 61.300 -0.361 0.000 1.368 199 I CB -0.149 37.693 38.000 -0.264 0.000 1.058 199 I HN -0.424 7.723 8.210 -0.105 0.000 0.410 200 I N -0.391 119.951 120.570 -0.381 0.000 2.286 200 I HA -0.618 nan 4.170 nan 0.000 0.248 200 I C 2.019 177.798 176.117 -0.563 0.000 1.115 200 I CA 4.378 65.377 61.300 -0.502 0.000 1.392 200 I CB -0.510 37.076 38.000 -0.689 0.000 1.065 200 I HN -0.418 7.643 8.210 -0.249 0.000 0.418 201 K N -1.091 119.039 120.400 -0.450 0.000 2.148 201 K HA -0.368 nan 4.320 nan 0.000 0.204 201 K C 2.079 178.685 176.600 0.009 0.000 1.050 201 K CA 3.695 59.840 56.287 -0.236 0.000 0.942 201 K CB -0.451 32.014 32.500 -0.059 0.000 0.724 201 K HN 0.196 8.127 8.250 -0.362 0.103 0.446 202 D N 0.213 120.585 120.400 -0.046 0.000 2.117 202 D HA -0.239 nan 4.640 nan 0.000 0.198 202 D C 2.332 178.683 176.300 0.086 0.000 0.982 202 D CA 3.172 57.189 54.000 0.028 0.000 0.828 202 D CB -0.105 40.613 40.800 -0.137 0.000 0.967 202 D HN -0.580 7.579 8.370 -0.176 0.106 0.464 203 Y N -1.702 118.605 120.300 0.012 0.000 2.242 203 Y HA -0.307 nan 4.550 nan 0.000 0.291 203 Y C 2.199 178.115 175.900 0.027 0.000 1.137 203 Y CA 1.392 59.494 58.100 0.004 0.000 1.181 203 Y CB -0.619 37.821 38.460 -0.033 0.000 0.989 203 Y HN -0.389 7.724 8.280 -0.277 0.000 0.527 204 F N 1.168 121.145 119.950 0.044 0.000 2.102 204 F HA -0.451 nan 4.527 nan 0.000 0.298 204 F C 2.347 178.164 175.800 0.028 0.000 1.105 204 F CA 3.764 61.777 58.000 0.023 0.000 1.239 204 F CB -0.110 38.877 39.000 -0.023 0.000 0.991 204 F HN -0.056 8.274 8.300 0.184 0.081 0.474 205 H N -0.840 118.224 119.070 -0.011 0.000 2.421 205 H HA -0.216 nan 4.556 nan 0.000 0.298 205 H C 1.484 176.747 175.328 -0.109 0.000 1.087 205 H CA 3.036 59.026 56.048 -0.096 0.000 1.330 205 H CB 0.051 29.831 29.762 0.029 0.000 1.388 205 H HN -0.047 8.286 8.280 0.087 0.000 0.526 206 R N -2.949 117.598 120.500 0.078 0.000 2.320 206 R HA -0.068 nan 4.340 nan 0.000 0.211 206 R C 0.069 176.366 176.300 -0.005 0.000 0.931 206 R CA -0.039 56.092 56.100 0.052 0.000 1.071 206 R CB 0.148 30.513 30.300 0.107 0.000 1.025 206 R HN -0.356 7.862 8.270 0.125 0.126 0.495 207 G N -2.639 106.112 108.800 -0.083 0.000 2.231 207 G HA2 -0.289 nan 3.960 nan 0.000 0.206 207 G HA3 -0.289 nan 3.960 nan 0.000 0.206 207 G C -0.661 174.215 174.900 -0.040 0.000 0.996 207 G CA -0.564 44.486 45.100 -0.084 0.000 0.645 207 G HN -0.364 7.634 8.290 -0.163 0.194 0.498 208 A N 1.079 123.910 122.820 0.019 0.000 2.366 208 A HA 0.124 nan 4.320 nan 0.000 0.249 208 A C -0.797 176.920 177.584 0.222 0.000 1.084 208 A CA -0.016 52.077 52.037 0.094 0.000 0.794 208 A CB 1.035 20.095 19.000 0.099 0.000 1.034 208 A HN -0.176 7.993 8.150 0.032 0.000 0.491 209 K N 0.289 120.822 120.400 0.223 0.000 2.174 209 K HA 0.172 nan 4.320 nan 0.000 0.275 209 K C -1.409 175.434 176.600 0.406 0.000 1.015 209 K CA -0.437 56.035 56.287 0.308 0.000 0.933 209 K CB 1.509 34.132 32.500 0.205 0.000 1.025 209 K HN 0.213 8.552 8.250 0.148 0.000 0.463 210 W N 2.518 123.929 121.300 0.185 0.000 2.781 210 W HA 0.463 nan 4.660 nan 0.000 0.333 210 W C -1.434 175.097 176.519 0.020 0.000 1.047 210 W CA -1.952 55.441 57.345 0.081 0.000 1.236 210 W CB 1.758 31.225 29.460 0.012 0.000 1.394 210 W HN 0.035 8.506 8.180 0.485 0.000 0.466 211 T N 8.725 123.472 114.554 0.321 0.000 2.893 211 T HA 0.429 nan 4.350 nan 0.000 0.293 211 T C -1.785 172.915 174.700 0.000 0.000 1.027 211 T CA -0.271 61.858 62.100 0.048 0.000 0.988 211 T CB 3.551 72.489 68.868 0.117 0.000 1.043 211 T HN 0.570 9.124 8.240 0.525 0.000 0.461 212 T N 0.590 115.037 114.554 -0.179 0.000 2.815 212 T HA 0.629 nan 4.350 nan 0.000 0.289 212 T C -0.718 173.768 174.700 -0.358 0.000 1.000 212 T CA -2.555 59.394 62.100 -0.252 0.000 0.958 212 T CB 1.001 69.664 68.868 -0.342 0.000 0.944 212 T HN 0.180 8.287 8.240 -0.222 0.000 0.442 213 A N 6.427 128.938 122.820 -0.515 0.000 2.406 213 A HA 0.289 nan 4.320 nan 0.000 0.243 213 A C -1.728 175.377 177.584 -0.799 0.000 1.082 213 A CA -1.547 49.861 52.037 -1.048 0.000 0.786 213 A CB -0.271 18.072 19.000 -1.094 0.000 1.029 213 A HN 0.106 8.002 8.150 -0.424 0.000 0.495 214 P HA -0.070 nan 4.420 nan 0.000 0.260 214 P C -1.427 175.615 177.300 -0.430 0.000 1.207 214 P CA -0.013 62.782 63.100 -0.509 0.000 0.780 214 P CB 0.370 31.811 31.700 -0.431 0.000 0.789 215 K N 6.628 126.810 120.400 -0.364 0.000 2.436 215 K HA 0.074 nan 4.320 nan 0.000 0.282 215 K C -1.618 174.884 176.600 -0.163 0.000 1.044 215 K CA -1.022 55.064 56.287 -0.336 0.000 1.028 215 K CB -0.293 31.991 32.500 -0.361 0.000 0.919 215 K HN 0.164 8.206 8.250 -0.348 0.000 0.474 216 P HA 0.116 nan 4.420 nan 0.000 0.273 216 P C -1.326 176.104 177.300 0.216 0.000 1.250 216 P CA -0.683 62.428 63.100 0.017 0.000 0.793 216 P CB 1.076 32.783 31.700 0.011 0.000 1.011 217 T N -4.460 110.215 114.554 0.202 0.000 3.009 217 T HA 0.072 nan 4.350 nan 0.000 0.258 217 T C 0.681 175.595 174.700 0.356 0.000 1.063 217 T CA 0.200 62.464 62.100 0.274 0.000 1.139 217 T CB 0.519 69.527 68.868 0.235 0.000 0.890 217 T HN -0.056 8.721 8.240 0.129 -0.460 0.471 218 M N -1.648 118.115 119.600 0.271 0.000 2.537 218 M HA -0.493 nan 4.480 nan 0.000 0.205 218 M C -1.120 175.303 176.300 0.205 0.000 0.450 218 M CA 0.625 56.034 55.300 0.181 0.000 0.553 218 M CB -1.918 30.763 32.600 0.135 0.000 2.046 218 M HN -0.348 8.309 8.290 0.228 -0.231 0.797 219 A N -1.720 121.217 122.820 0.196 0.000 2.346 219 A HA -0.030 nan 4.320 nan 0.000 0.252 219 A C 0.859 178.439 177.584 -0.007 0.000 1.089 219 A CA -0.389 51.717 52.037 0.116 0.000 0.797 219 A CB 0.742 19.785 19.000 0.072 0.000 1.047 219 A HN -0.834 7.458 8.150 0.263 0.016 0.494 220 D N 1.055 121.454 120.400 -0.001 0.000 2.239 220 D HA -0.421 nan 4.640 nan 0.000 0.202 220 D C 2.028 178.230 176.300 -0.163 0.000 0.993 220 D CA 4.161 58.166 54.000 0.008 0.000 0.874 220 D CB -0.367 40.418 40.800 -0.025 0.000 0.922 220 D HN 0.693 9.075 8.370 0.020 0.000 0.464 221 E N -1.693 118.244 120.200 -0.438 0.000 2.267 221 E HA -0.243 nan 4.350 nan 0.000 0.197 221 E C 1.248 177.467 176.600 -0.633 0.000 0.998 221 E CA 2.115 58.051 56.400 -0.773 0.000 0.830 221 E CB -0.703 27.973 29.700 -1.706 0.000 0.751 221 E HN 0.307 8.372 8.360 -0.424 0.041 0.491 222 L N -3.071 117.852 121.223 -0.501 0.000 2.418 222 L HA -0.089 nan 4.340 nan 0.000 0.218 222 L C -1.344 175.174 176.870 -0.586 0.000 1.125 222 L CA 0.327 54.915 54.840 -0.421 0.000 0.835 222 L CB 1.012 42.757 42.059 -0.524 0.000 0.953 222 L HN -0.104 7.674 8.230 -0.481 0.164 0.454 223 Y N -3.759 116.497 120.300 -0.072 0.000 2.429 223 Y HA 0.258 nan 4.550 nan 0.000 0.342 223 Y C -0.662 175.191 175.900 -0.077 0.000 1.004 223 Y CA -2.118 55.931 58.100 -0.086 0.000 1.075 223 Y CB 1.699 40.085 38.460 -0.124 0.000 1.214 223 Y HN -0.282 7.671 8.280 -0.272 0.164 0.455 224 N N 4.504 123.260 118.700 0.093 0.000 2.508 224 N HA -0.002 nan 4.740 nan 0.000 0.253 224 N C 0.696 176.246 175.510 0.067 0.000 1.145 224 N CA 0.053 53.149 53.050 0.076 0.000 0.973 224 N CB -0.209 38.355 38.487 0.127 0.000 1.305 224 N HN 0.519 8.949 8.380 0.084 0.000 0.506 225 Q N 2.321 122.140 119.800 0.032 0.000 2.308 225 Q HA -0.317 nan 4.340 nan 0.000 0.209 225 Q C -0.070 175.922 176.000 -0.013 0.000 0.985 225 Q CA 2.330 58.127 55.803 -0.010 0.000 0.881 225 Q CB -0.350 28.375 28.738 -0.022 0.000 0.917 225 Q HN 0.007 8.294 8.270 0.028 0.000 0.443 226 D N -6.955 113.458 120.400 0.021 0.000 2.559 226 D HA 0.030 nan 4.640 nan 0.000 0.234 226 D C -0.890 175.432 176.300 0.036 0.000 1.226 226 D CA -1.898 52.111 54.000 0.015 0.000 0.830 226 D CB -1.072 39.735 40.800 0.013 0.000 1.028 226 D HN -0.289 8.045 8.370 0.039 0.060 0.492 227 Y N 4.014 124.263 120.300 -0.086 0.000 2.745 227 Y HA -0.071 nan 4.550 nan 0.000 0.335 227 Y C -0.166 175.634 175.900 -0.165 0.000 1.212 227 Y CA -1.649 56.393 58.100 -0.096 0.000 1.535 227 Y CB 0.243 38.651 38.460 -0.086 0.000 1.220 227 Y HN -0.202 8.029 8.280 0.146 0.136 0.531 228 P HA -0.189 nan 4.420 nan 0.000 0.274 228 P C -1.699 175.160 177.300 -0.735 0.000 1.370 228 P CA 0.296 63.097 63.100 -0.500 0.000 0.760 228 P CB -1.090 30.427 31.700 -0.305 0.000 1.308 229 I N -0.197 119.975 120.570 -0.663 0.000 2.533 229 I HA -0.350 nan 4.170 nan 0.000 0.284 229 I C -1.294 174.598 176.117 -0.376 0.000 1.109 229 I CA 0.402 61.467 61.300 -0.392 0.000 1.412 229 I CB 0.495 38.454 38.000 -0.068 0.000 1.396 229 I HN -0.539 7.232 8.210 -0.564 0.099 0.543 230 H N 6.162 125.332 119.070 0.167 0.000 3.680 230 H HA 0.177 nan 4.556 nan 0.000 0.260 230 H C -1.468 173.960 175.328 0.167 0.000 1.183 230 H CA -0.492 55.719 56.048 0.272 0.000 1.159 230 H CB 2.039 31.875 29.762 0.122 0.000 1.567 230 H HN -0.144 8.272 8.280 -0.005 -0.139 0.648 231 S N -3.968 111.824 115.700 0.153 0.000 2.615 231 S HA 0.068 nan 4.470 nan 0.000 0.268 231 S C -0.836 173.724 174.600 -0.067 0.000 1.146 231 S CA -0.635 57.550 58.200 -0.025 0.000 0.818 231 S CB 1.997 65.189 63.200 -0.014 0.000 1.111 231 S HN -0.872 7.550 8.310 0.123 -0.038 0.465 232 V N 1.957 121.773 119.914 -0.163 0.000 2.720 232 V HA -0.320 nan 4.120 nan 0.000 0.256 232 V C 1.512 177.454 176.094 -0.254 0.000 1.082 232 V CA 3.792 65.904 62.300 -0.314 0.000 1.101 232 V CB -0.447 31.155 31.823 -0.367 0.000 0.693 232 V HN 0.329 8.723 8.190 -0.161 -0.301 0.479 233 E N -2.843 117.314 120.200 -0.071 0.000 2.358 233 E HA -0.247 nan 4.350 nan 0.000 0.195 233 E C 1.500 178.103 176.600 0.006 0.000 1.010 233 E CA 2.535 58.946 56.400 0.019 0.000 0.856 233 E CB -0.699 29.024 29.700 0.039 0.000 0.795 233 E HN 0.061 8.346 8.360 -0.054 0.042 0.504 234 D N -0.267 120.109 120.400 -0.039 0.000 2.197 234 D HA 0.030 nan 4.640 nan 0.000 0.212 234 D C 1.382 177.607 176.300 -0.124 0.000 0.963 234 D CA 2.428 56.383 54.000 -0.075 0.000 0.864 234 D CB -0.026 40.720 40.800 -0.090 0.000 1.009 234 D HN -0.503 7.673 8.370 -0.050 0.164 0.479 235 R N 0.667 121.094 120.500 -0.122 0.000 2.083 235 R HA -0.408 nan 4.340 nan 0.000 0.237 235 R C 2.106 178.429 176.300 0.040 0.000 1.137 235 R CA 3.670 59.742 56.100 -0.047 0.000 0.951 235 R CB 0.082 30.362 30.300 -0.034 0.000 0.851 235 R HN -0.561 7.637 8.270 -0.121 0.000 0.434 236 H N -2.598 116.488 119.070 0.026 0.000 2.456 236 H HA -0.231 nan 4.556 nan 0.000 0.296 236 H C 2.523 177.859 175.328 0.014 0.000 1.079 236 H CA 2.371 58.444 56.048 0.042 0.000 1.322 236 H CB -0.013 29.785 29.762 0.060 0.000 1.388 236 H HN -0.092 8.126 8.280 -0.104 0.000 0.538 237 K N 0.383 120.846 120.400 0.104 0.000 2.044 237 K HA -0.208 nan 4.320 nan 0.000 0.204 237 K C 1.985 178.576 176.600 -0.015 0.000 1.049 237 K CA 2.464 58.775 56.287 0.039 0.000 0.945 237 K CB -0.037 32.471 32.500 0.014 0.000 0.724 237 K HN -0.758 7.515 8.250 0.077 0.023 0.440 238 L N -0.835 120.349 121.223 -0.065 0.000 2.012 238 L HA -0.414 nan 4.340 nan 0.000 0.210 238 L C 2.032 178.786 176.870 -0.193 0.000 1.073 238 L CA 3.033 57.803 54.840 -0.118 0.000 0.748 238 L CB -0.444 41.504 42.059 -0.185 0.000 0.891 238 L HN -0.188 8.001 8.230 -0.069 0.000 0.431 239 A N -1.684 120.993 122.820 -0.238 0.000 1.892 239 A HA -0.393 nan 4.320 nan 0.000 0.218 239 A C 2.201 179.694 177.584 -0.151 0.000 1.188 239 A CA 3.150 54.908 52.037 -0.466 0.000 0.631 239 A CB -1.219 17.752 19.000 -0.048 0.000 0.822 239 A HN 0.496 8.477 8.150 -0.107 0.105 0.447 240 A N -1.353 121.460 122.820 -0.011 0.000 1.940 240 A HA -0.291 nan 4.320 nan 0.000 0.219 240 A C 1.863 179.452 177.584 0.008 0.000 1.176 240 A CA 2.567 54.625 52.037 0.035 0.000 0.631 240 A CB -0.575 18.450 19.000 0.041 0.000 0.814 240 A HN -0.418 7.670 8.150 0.009 0.067 0.446 241 Q N -3.445 116.340 119.800 -0.024 0.000 2.435 241 Q HA -0.074 nan 4.340 nan 0.000 0.207 241 Q C 0.420 176.427 176.000 0.012 0.000 0.956 241 Q CA 0.121 55.917 55.803 -0.011 0.000 0.917 241 Q CB 0.433 29.157 28.738 -0.022 0.000 0.997 241 Q HN -0.186 7.928 8.270 -0.048 0.128 0.497 242 G N -1.939 106.857 108.800 -0.007 0.000 2.159 242 G HA2 -0.402 nan 3.960 nan 0.000 0.227 242 G HA3 -0.402 nan 3.960 nan 0.000 0.227 242 G C -0.985 173.947 174.900 0.054 0.000 0.986 242 G CA -0.335 44.835 45.100 0.117 0.000 0.651 242 G HN 0.013 8.042 8.290 -0.079 0.213 0.523 243 K N 1.659 121.964 120.400 -0.159 0.000 2.276 243 K HA 0.225 nan 4.320 nan 0.000 0.285 243 K C -1.308 175.112 176.600 -0.300 0.000 1.062 243 K CA -0.599 55.652 56.287 -0.060 0.000 0.918 243 K CB 0.499 33.026 32.500 0.044 0.000 1.055 243 K HN 0.172 8.163 8.250 -0.190 0.145 0.477 244 F N 1.513 121.535 119.950 0.121 0.000 2.620 244 F HA 0.311 nan 4.527 nan 0.000 0.320 244 F C -0.106 175.350 175.800 -0.573 0.000 1.069 244 F CA -0.470 57.418 58.000 -0.187 0.000 0.953 244 F CB 2.849 41.795 39.000 -0.091 0.000 1.322 244 F HN -0.071 8.356 8.300 0.212 0.000 0.479 245 V N 0.725 120.198 119.914 -0.735 0.000 2.720 245 V HA -0.176 nan 4.120 nan 0.000 0.256 245 V C -0.485 175.548 176.094 -0.102 0.000 1.082 245 V CA 1.769 63.702 62.300 -0.611 0.000 1.101 245 V CB 0.452 31.987 31.823 -0.479 0.000 0.693 245 V HN 0.812 9.090 8.190 -0.571 -0.431 0.479 246 T N -4.334 110.216 114.554 -0.006 0.000 2.875 246 T HA 0.471 nan 4.350 nan 0.000 0.284 246 T C -0.087 174.635 174.700 0.038 0.000 0.995 246 T CA -2.316 59.794 62.100 0.017 0.000 1.060 246 T CB 1.465 70.341 68.868 0.014 0.000 0.967 246 T HN -0.336 7.886 8.240 0.011 0.025 0.476 247 T N 0.556 115.120 114.554 0.017 0.000 2.888 247 T HA 0.298 nan 4.350 nan 0.000 0.283 247 T C 0.738 175.498 174.700 0.100 0.000 1.013 247 T CA -1.935 60.209 62.100 0.073 0.000 0.938 247 T CB 0.997 69.904 68.868 0.064 0.000 1.298 247 T HN 0.760 8.865 8.240 -0.049 0.105 0.580 248 E N -1.174 119.108 120.200 0.136 0.000 2.423 248 E HA 0.234 nan 4.350 nan 0.000 0.198 248 E C -0.829 175.856 176.600 0.141 0.000 1.038 248 E CA -1.017 55.464 56.400 0.135 0.000 1.011 248 E CB -1.026 28.763 29.700 0.148 0.000 1.118 248 E HN 0.478 8.922 8.360 0.139 0.000 0.451 249 F N 1.475 121.419 119.950 -0.011 0.000 2.161 249 F HA -0.317 nan 4.527 nan 0.000 0.300 249 F C -0.494 175.297 175.800 -0.015 0.000 1.089 249 F CA 1.985 59.972 58.000 -0.022 0.000 1.282 249 F CB 1.158 40.122 39.000 -0.060 0.000 1.010 249 F HN -0.507 7.842 8.300 0.250 0.101 0.485 250 E N -5.059 115.044 120.200 -0.162 0.000 2.416 250 E HA 0.189 nan 4.350 nan 0.000 0.280 250 E C -2.903 173.652 176.600 -0.076 0.000 1.055 250 E CA -3.118 53.133 56.400 -0.248 0.000 0.825 250 E CB 0.457 29.911 29.700 -0.409 0.000 1.312 250 E HN -0.579 7.778 8.360 0.023 0.016 0.452 251 P HA 0.104 nan 4.420 nan 0.000 0.271 251 P C -1.491 175.798 177.300 -0.018 0.000 1.220 251 P CA 0.053 63.162 63.100 0.015 0.000 0.768 251 P CB 0.321 32.012 31.700 -0.016 0.000 0.848 252 C N 0.637 119.984 119.300 0.079 0.000 3.239 252 C HA 0.658 nan 4.460 nan 0.000 0.317 252 C C -2.298 172.828 174.990 0.226 0.000 1.310 252 C CA -2.632 56.397 59.018 0.018 0.000 1.371 252 C CB 3.510 31.252 27.740 0.003 0.000 1.714 252 C HN -0.137 8.190 8.230 0.162 0.000 0.473 253 F N -3.696 116.257 119.950 0.006 0.000 2.890 253 F HA 0.271 nan 4.527 nan 0.000 0.326 253 F C -3.429 172.410 175.800 0.066 0.000 1.143 253 F CA -0.353 57.694 58.000 0.079 0.000 0.906 253 F CB 0.880 40.008 39.000 0.215 0.000 1.303 253 F HN -0.301 7.877 8.300 -0.204 0.000 0.447 254 D N 0.909 121.541 120.400 0.386 0.000 2.278 254 D HA 0.452 nan 4.640 nan 0.000 0.245 254 D C 0.531 177.106 176.300 0.459 0.000 1.052 254 D CA -1.727 52.413 54.000 0.232 0.000 0.834 254 D CB 2.080 43.027 40.800 0.245 0.000 1.194 254 D HN -0.170 8.494 8.370 0.490 0.000 0.481 255 A N 5.035 128.025 122.820 0.283 0.000 2.024 255 A HA -0.251 nan 4.320 nan 0.000 0.220 255 A C 1.072 178.867 177.584 0.353 0.000 1.164 255 A CA 3.355 55.581 52.037 0.316 0.000 0.643 255 A CB -0.072 18.986 19.000 0.096 0.000 0.806 255 A HN 0.274 8.475 8.150 0.084 0.000 0.451 256 A N -3.997 118.922 122.820 0.165 0.000 2.259 256 A HA -0.196 nan 4.320 nan 0.000 0.212 256 A C 0.819 178.550 177.584 0.245 0.000 1.178 256 A CA 1.967 54.055 52.037 0.086 0.000 0.734 256 A CB -0.665 18.100 19.000 -0.393 0.000 0.774 256 A HN -0.051 8.103 8.150 0.053 0.028 0.481 257 D N -2.836 117.773 120.400 0.349 0.000 2.342 257 D HA 0.153 nan 4.640 nan 0.000 0.221 257 D C -1.369 174.888 176.300 -0.071 0.000 1.101 257 D CA 1.015 55.109 54.000 0.156 0.000 0.837 257 D CB 0.476 41.312 40.800 0.061 0.000 0.938 257 D HN -0.398 8.190 8.370 0.488 0.075 0.508 258 F N -1.962 118.091 119.950 0.173 0.000 2.507 258 F HA 0.426 nan 4.527 nan 0.000 0.325 258 F C -0.868 175.074 175.800 0.236 0.000 1.116 258 F CA -0.964 57.146 58.000 0.182 0.000 0.930 258 F CB 2.761 41.828 39.000 0.112 0.000 1.146 258 F HN -0.533 7.986 8.300 0.516 0.091 0.447 259 I N 3.594 124.431 120.570 0.446 0.000 2.499 259 I HA 0.309 nan 4.170 nan 0.000 0.288 259 I C -2.381 174.032 176.117 0.493 0.000 1.048 259 I CA -1.757 59.800 61.300 0.428 0.000 1.062 259 I CB 4.414 42.652 38.000 0.396 0.000 1.238 259 I HN 0.812 9.299 8.210 0.461 0.000 0.426 260 R N 8.230 128.966 120.500 0.393 0.000 2.368 260 R HA 0.588 nan 4.340 nan 0.000 0.302 260 R C -1.483 175.068 176.300 0.418 0.000 1.002 260 R CA -1.087 55.232 56.100 0.365 0.000 0.929 260 R CB 1.177 31.600 30.300 0.205 0.000 1.073 260 R HN 0.085 8.846 8.270 0.335 -0.290 0.464 261 A N 3.055 126.214 122.820 0.564 0.000 3.308 261 A HA 0.366 nan 4.320 nan 0.000 0.275 261 A C -0.469 177.589 177.584 0.791 0.000 0.950 261 A CA -1.200 51.303 52.037 0.776 0.000 0.987 261 A CB 0.194 19.851 19.000 1.094 0.000 1.146 261 A HN 0.189 8.664 8.150 0.541 0.000 0.488 262 G N 3.325 112.464 108.800 0.564 0.000 2.536 262 G HA2 -0.434 nan 3.960 nan 0.000 0.277 262 G HA3 -0.434 nan 3.960 nan 0.000 0.277 262 G C -0.044 175.116 174.900 0.432 0.000 1.155 262 G CA 0.526 45.922 45.100 0.493 0.000 0.960 262 G HN 0.037 8.560 8.290 0.387 0.000 0.544 263 R N 2.622 123.274 120.500 0.253 0.000 2.307 263 R HA -0.024 nan 4.340 nan 0.000 0.199 263 R C -1.138 175.324 176.300 0.269 0.000 1.000 263 R CA 1.347 57.546 56.100 0.165 0.000 1.023 263 R CB 0.592 30.878 30.300 -0.024 0.000 0.908 263 R HN -0.184 8.184 8.270 0.164 0.000 0.473 264 D N -1.335 119.261 120.400 0.326 0.000 2.492 264 D HA 0.543 nan 4.640 nan 0.000 0.248 264 D C -1.848 174.530 176.300 0.129 0.000 1.101 264 D CA -0.178 53.951 54.000 0.215 0.000 0.840 264 D CB 2.814 43.681 40.800 0.111 0.000 1.209 264 D HN -0.831 7.717 8.370 0.405 0.065 0.524 265 I N 1.344 121.949 120.570 0.058 0.000 2.493 265 I HA 0.724 nan 4.170 nan 0.000 0.298 265 I C -1.531 174.568 176.117 -0.031 0.000 0.998 265 I CA -0.973 60.422 61.300 0.158 0.000 1.137 265 I CB 3.097 41.234 38.000 0.228 0.000 1.310 265 I HN 0.903 9.057 8.210 0.088 0.108 0.445 266 F N 4.398 124.564 119.950 0.360 0.000 2.508 266 F HA 0.833 nan 4.527 nan 0.000 0.325 266 F C -1.716 174.140 175.800 0.094 0.000 1.090 266 F CA -1.821 56.339 58.000 0.266 0.000 0.945 266 F CB 3.108 42.294 39.000 0.310 0.000 1.156 266 F HN 0.497 9.162 8.300 0.609 0.000 0.463 267 A N 1.375 124.247 122.820 0.088 0.000 2.532 267 A HA 1.037 nan 4.320 nan 0.000 0.290 267 A C -2.857 174.644 177.584 -0.139 0.000 1.143 267 A CA -1.523 50.335 52.037 -0.297 0.000 0.728 267 A CB 3.915 22.437 19.000 -0.796 0.000 1.317 267 A HN 1.042 9.287 8.150 0.159 0.000 0.414 268 Q N -2.917 116.757 119.800 -0.210 0.000 2.345 268 Q HA 0.393 nan 4.340 nan 0.000 0.275 268 Q C -1.592 174.272 176.000 -0.226 0.000 1.063 268 Q CA -1.243 54.500 55.803 -0.101 0.000 0.819 268 Q CB 3.552 32.359 28.738 0.115 0.000 1.356 268 Q HN -0.090 7.956 8.270 -0.372 0.000 0.418 269 R N 4.442 124.763 120.500 -0.298 0.000 2.491 269 R HA 0.182 nan 4.340 nan 0.000 0.283 269 R C -0.645 175.275 176.300 -0.633 0.000 1.072 269 R CA -0.029 55.725 56.100 -0.576 0.000 1.048 269 R CB -0.050 29.751 30.300 -0.831 0.000 0.983 269 R HN 0.509 8.666 8.270 -0.189 0.000 0.450 270 S N 4.136 119.392 115.700 -0.741 0.000 2.776 270 S HA 0.235 nan 4.470 nan 0.000 0.292 270 S C 0.319 174.484 174.600 -0.725 0.000 1.187 270 S CA -1.179 56.564 58.200 -0.763 0.000 0.834 270 S CB 2.675 65.721 63.200 -0.256 0.000 1.199 270 S HN 0.817 8.643 8.310 -0.618 0.114 0.514 271 Q N -0.318 119.316 119.800 -0.276 0.000 2.197 271 Q HA -0.074 nan 4.340 nan 0.000 0.207 271 Q C 1.299 177.298 176.000 -0.002 0.000 0.984 271 Q CA 2.955 58.755 55.803 -0.005 0.000 0.869 271 Q CB -0.178 28.639 28.738 0.131 0.000 0.906 271 Q HN 0.433 8.626 8.270 -0.127 0.000 0.426 272 V N -11.304 108.598 119.914 -0.020 0.000 3.645 272 V HA 0.274 nan 4.120 nan 0.000 0.275 272 V C 0.113 176.239 176.094 0.052 0.000 1.356 272 V CA -0.603 61.730 62.300 0.056 0.000 1.051 272 V CB 0.485 32.335 31.823 0.045 0.000 0.828 272 V HN -0.781 7.332 8.190 -0.076 0.032 0.441 273 T N 5.630 120.171 114.554 -0.022 0.000 2.842 273 T HA 0.304 nan 4.350 nan 0.000 0.308 273 T C -1.698 172.917 174.700 -0.140 0.000 1.041 273 T CA -0.238 61.884 62.100 0.036 0.000 0.964 273 T CB 0.264 69.161 68.868 0.048 0.000 0.972 273 T HN -0.645 7.401 8.240 -0.130 0.116 0.460 274 N N 6.357 125.021 118.700 -0.060 0.000 2.478 274 N HA 0.474 nan 4.740 nan 0.000 0.275 274 N C 0.669 176.107 175.510 -0.120 0.000 1.221 274 N CA -1.865 51.095 53.050 -0.149 0.000 0.979 274 N CB 1.739 40.216 38.487 -0.016 0.000 1.202 274 N HN -0.408 8.006 8.380 0.057 0.000 0.564 275 Y N -2.700 117.626 120.300 0.043 0.000 2.333 275 Y HA -0.276 nan 4.550 nan 0.000 0.290 275 Y C 2.194 178.139 175.900 0.074 0.000 1.144 275 Y CA 3.842 61.971 58.100 0.047 0.000 1.228 275 Y CB -0.053 38.433 38.460 0.043 0.000 0.985 275 Y HN 0.052 8.575 8.280 -0.084 -0.293 0.542 276 L N -1.561 119.795 121.223 0.221 0.000 2.093 276 L HA -0.343 nan 4.340 nan 0.000 0.208 276 L C 2.278 179.288 176.870 0.234 0.000 1.085 276 L CA 2.819 57.773 54.840 0.190 0.000 0.755 276 L CB -0.676 41.463 42.059 0.133 0.000 0.904 276 L HN -0.259 8.269 8.230 0.199 -0.178 0.435 277 G N -0.682 108.261 108.800 0.238 0.000 2.446 277 G HA2 -0.357 nan 3.960 nan 0.000 0.217 277 G HA3 -0.357 nan 3.960 nan 0.000 0.217 277 G C 1.369 176.392 174.900 0.204 0.000 1.168 277 G CA 2.047 47.362 45.100 0.358 0.000 0.771 277 G HN -0.755 7.553 8.290 0.188 0.095 0.551 278 I N 1.422 122.082 120.570 0.150 0.000 2.286 278 I HA -0.536 nan 4.170 nan 0.000 0.248 278 I C 1.558 177.765 176.117 0.150 0.000 1.115 278 I CA 3.643 65.028 61.300 0.143 0.000 1.392 278 I CB -0.153 37.891 38.000 0.073 0.000 1.065 278 I HN -0.351 7.938 8.210 0.132 0.000 0.418 279 E N 0.286 120.585 120.200 0.164 0.000 2.150 279 E HA -0.272 nan 4.350 nan 0.000 0.193 279 E C 1.767 178.434 176.600 0.111 0.000 0.985 279 E CA 2.624 59.094 56.400 0.117 0.000 0.814 279 E CB -0.645 29.126 29.700 0.118 0.000 0.752 279 E HN -0.286 8.189 8.360 0.192 0.000 0.466 280 W N 0.981 122.308 121.300 0.046 0.000 2.355 280 W HA -0.343 nan 4.660 nan 0.000 0.309 280 W C 2.030 178.574 176.519 0.042 0.000 1.206 280 W CA 4.136 61.511 57.345 0.050 0.000 1.284 280 W CB 0.125 29.633 29.460 0.081 0.000 1.145 280 W HN -0.012 8.289 8.180 0.360 0.094 0.502 281 M N -1.959 117.711 119.600 0.116 0.000 2.086 281 M HA -0.504 nan 4.480 nan 0.000 0.261 281 M C 2.282 178.509 176.300 -0.121 0.000 1.067 281 M CA 3.057 58.313 55.300 -0.074 0.000 1.116 281 M CB -0.906 31.622 32.600 -0.120 0.000 1.348 281 M HN -0.517 7.940 8.290 0.278 0.000 0.407 282 R N -1.130 119.345 120.500 -0.042 0.000 2.096 282 R HA -0.415 nan 4.340 nan 0.000 0.240 282 R C 2.225 178.454 176.300 -0.118 0.000 1.139 282 R CA 3.857 59.923 56.100 -0.056 0.000 0.952 282 R CB -0.083 30.199 30.300 -0.031 0.000 0.854 282 R HN 0.201 8.376 8.270 0.022 0.108 0.436 283 R N -3.068 117.336 120.500 -0.160 0.000 2.148 283 R HA -0.211 nan 4.340 nan 0.000 0.223 283 R C 1.947 178.087 176.300 -0.266 0.000 1.088 283 R CA 2.554 58.539 56.100 -0.191 0.000 0.985 283 R CB -0.090 30.105 30.300 -0.175 0.000 0.880 283 R HN 0.073 8.144 8.270 -0.145 0.112 0.451 284 H N -0.999 117.755 119.070 -0.527 0.000 2.448 284 H HA -0.111 nan 4.556 nan 0.000 0.292 284 H C 0.504 175.660 175.328 -0.287 0.000 1.035 284 H CA 2.617 58.328 56.048 -0.561 0.000 1.349 284 H CB 0.780 29.880 29.762 -1.104 0.000 1.425 284 H HN -0.402 7.488 8.280 -0.422 0.137 0.539 285 L N -3.948 117.082 121.223 -0.322 0.000 2.513 285 L HA 0.058 nan 4.340 nan 0.000 0.222 285 L C -0.464 176.385 176.870 -0.036 0.000 1.096 285 L CA -0.086 54.646 54.840 -0.180 0.000 0.857 285 L CB 0.656 42.677 42.059 -0.064 0.000 1.026 285 L HN -0.516 7.583 8.230 -0.217 0.000 0.469 286 A N 0.619 123.387 122.820 -0.087 0.000 2.425 286 A HA 0.039 nan 4.320 nan 0.000 0.242 286 A C -1.436 176.097 177.584 -0.084 0.000 1.077 286 A CA -0.369 51.627 52.037 -0.068 0.000 0.781 286 A CB -1.004 17.945 19.000 -0.086 0.000 1.020 286 A HN -0.626 7.445 8.150 -0.132 0.000 0.494 287 P HA 0.035 nan 4.420 nan 0.000 0.230 287 P C 0.383 177.622 177.300 -0.102 0.000 1.168 287 P CA 0.840 63.893 63.100 -0.080 0.000 0.793 287 P CB 0.699 32.352 31.700 -0.077 0.000 0.851 288 D N -1.194 119.132 120.400 -0.123 0.000 2.182 288 D HA -0.207 nan 4.640 nan 0.000 0.201 288 D C -0.269 175.748 176.300 -0.470 0.000 0.986 288 D CA 3.246 57.072 54.000 -0.290 0.000 0.847 288 D CB 0.306 40.925 40.800 -0.300 0.000 0.942 288 D HN 0.266 8.536 8.370 -0.085 0.049 0.467 289 Y N -4.138 116.130 120.300 -0.054 0.000 2.462 289 Y HA 0.252 nan 4.550 nan 0.000 0.346 289 Y C -1.047 174.809 175.900 -0.074 0.000 0.976 289 Y CA -1.278 56.802 58.100 -0.033 0.000 1.044 289 Y CB 3.102 41.556 38.460 -0.008 0.000 1.230 289 Y HN -0.736 7.576 8.280 0.090 0.022 0.455 290 R N 2.142 122.686 120.500 0.074 0.000 2.265 290 R HA 0.358 nan 4.340 nan 0.000 0.328 290 R C -1.727 174.447 176.300 -0.211 0.000 0.969 290 R CA -1.061 54.952 56.100 -0.145 0.000 0.832 290 R CB 1.316 31.483 30.300 -0.222 0.000 1.139 290 R HN 0.802 9.160 8.270 0.146 0.000 0.457 291 V N 4.623 124.406 119.914 -0.219 0.000 2.364 291 V HA 0.300 nan 4.120 nan 0.000 0.272 291 V C -0.649 175.296 176.094 -0.249 0.000 1.036 291 V CA -0.737 61.498 62.300 -0.107 0.000 0.880 291 V CB -0.192 31.651 31.823 0.034 0.000 0.991 291 V HN 0.470 8.544 8.190 -0.194 0.000 0.460 292 H N 6.573 125.559 119.070 -0.140 0.000 2.499 292 H HA 0.357 nan 4.556 nan 0.000 0.340 292 H C -1.151 174.184 175.328 0.013 0.000 1.148 292 H CA -1.931 54.070 56.048 -0.079 0.000 1.215 292 H CB 3.371 33.058 29.762 -0.125 0.000 1.529 292 H HN 0.795 9.096 8.280 0.035 0.000 0.510 293 I N 1.411 122.070 120.570 0.148 0.000 2.339 293 I HA 0.529 nan 4.170 nan 0.000 0.290 293 I C -0.319 175.839 176.117 0.068 0.000 0.994 293 I CA -0.835 60.521 61.300 0.094 0.000 1.191 293 I CB 0.705 38.767 38.000 0.104 0.000 1.343 293 I HN 0.322 8.611 8.210 0.131 0.000 0.458 294 I N 3.701 124.262 120.570 -0.014 0.000 2.846 294 I HA 0.634 nan 4.170 nan 0.000 0.307 294 I C -2.136 173.709 176.117 -0.454 0.000 1.053 294 I CA -2.188 58.983 61.300 -0.216 0.000 1.050 294 I CB 3.257 41.076 38.000 -0.302 0.000 1.239 294 I HN 0.680 8.889 8.210 -0.002 0.000 0.439 295 S N -0.843 114.504 115.700 -0.588 0.000 2.632 295 S HA 0.389 nan 4.470 nan 0.000 0.289 295 S C -1.570 172.473 174.600 -0.927 0.000 1.115 295 S CA -1.453 56.452 58.200 -0.493 0.000 0.889 295 S CB 3.341 66.608 63.200 0.111 0.000 1.116 295 S HN 0.163 8.395 8.310 -0.453 -0.194 0.486 296 F N -2.332 117.536 119.950 -0.138 0.000 2.629 296 F HA 0.521 nan 4.527 nan 0.000 0.316 296 F C -0.911 174.707 175.800 -0.302 0.000 1.081 296 F CA -1.430 56.328 58.000 -0.404 0.000 0.954 296 F CB 4.129 43.000 39.000 -0.215 0.000 1.337 296 F HN -0.090 8.248 8.300 0.063 0.000 0.474 297 K N 1.418 121.728 120.400 -0.149 0.000 2.295 297 K HA -0.136 nan 4.320 nan 0.000 0.270 297 K C -0.169 176.421 176.600 -0.017 0.000 1.011 297 K CA 0.249 56.539 56.287 0.006 0.000 0.953 297 K CB 0.669 33.163 32.500 -0.010 0.000 0.956 297 K HN 0.371 8.409 8.250 -0.182 0.103 0.477 298 D N -0.332 120.019 120.400 -0.082 0.000 2.802 298 D HA -0.162 nan 4.640 nan 0.000 0.229 298 D C -2.062 174.149 176.300 -0.148 0.000 1.203 298 D CA 0.190 53.943 54.000 -0.411 0.000 0.712 298 D CB -1.268 39.136 40.800 -0.660 0.000 0.973 298 D HN 0.147 8.510 8.370 -0.012 0.000 0.407 299 P HA -0.151 nan 4.420 nan 0.000 0.267 299 P C -1.563 175.917 177.300 0.299 0.000 1.200 299 P CA -0.014 63.238 63.100 0.254 0.000 0.772 299 P CB 0.610 32.538 31.700 0.380 0.000 0.855 300 N N -0.486 118.343 118.700 0.216 0.000 2.287 300 N HA 0.335 nan 4.740 nan 0.000 0.289 300 N C -1.928 173.649 175.510 0.112 0.000 1.066 300 N CA -2.403 50.772 53.050 0.208 0.000 0.841 300 N CB 3.546 42.162 38.487 0.216 0.000 1.599 300 N HN 0.050 8.521 8.380 0.151 0.000 0.476 304 I N 4.362 125.035 120.570 0.172 0.000 2.493 304 I HA -0.387 nan 4.170 nan 0.000 0.254 304 I C -0.650 175.493 176.117 0.043 0.000 1.160 304 I CA 1.468 62.813 61.300 0.076 0.000 1.445 304 I CB 0.668 38.757 38.000 0.149 0.000 1.086 304 I HN 0.388 8.720 8.210 0.204 0.000 0.433 305 D N -0.968 119.478 120.400 0.077 0.000 2.392 305 D HA -0.277 nan 4.640 nan 0.000 0.228 305 D C -0.229 176.068 176.300 -0.005 0.000 1.003 305 D CA 1.364 55.347 54.000 -0.027 0.000 0.917 305 D CB -1.406 39.338 40.800 -0.092 0.000 0.890 305 D HN -0.353 8.069 8.370 0.139 0.032 0.532 306 A N -4.892 117.945 122.820 0.029 0.000 2.571 306 A HA 0.339 nan 4.320 nan 0.000 0.274 306 A C -0.269 177.274 177.584 -0.068 0.000 1.196 306 A CA 0.155 52.223 52.037 0.051 0.000 0.957 306 A CB 1.196 20.279 19.000 0.139 0.000 1.150 306 A HN -0.689 7.392 8.150 0.035 0.090 0.539 307 T N -0.561 113.889 114.554 -0.172 0.000 3.048 307 T HA 0.288 nan 4.350 nan 0.000 0.254 307 T C -1.271 173.264 174.700 -0.275 0.000 0.942 307 T CA 1.675 63.559 62.100 -0.361 0.000 0.931 307 T CB 3.081 71.561 68.868 -0.648 0.000 1.220 307 T HN -0.053 7.945 8.240 -0.126 0.167 0.503 308 F N 2.428 122.151 119.950 -0.378 0.000 3.167 308 F HA 0.297 nan 4.527 nan 0.000 0.389 308 F C -2.841 172.870 175.800 -0.149 0.000 1.233 308 F CA -0.600 57.244 58.000 -0.260 0.000 1.238 308 F CB 1.849 40.720 39.000 -0.216 0.000 1.971 308 F HN 0.116 8.364 8.300 -0.087 0.000 0.651 309 N N 6.058 124.636 118.700 -0.203 0.000 2.439 309 N HA 0.266 nan 4.740 nan 0.000 0.249 309 N C -1.054 174.323 175.510 -0.222 0.000 1.003 309 N CA -1.301 51.643 53.050 -0.176 0.000 0.942 309 N CB 2.039 40.446 38.487 -0.134 0.000 1.115 309 N HN -0.141 8.101 8.380 -0.231 0.000 0.505 310 I N 6.152 126.644 120.570 -0.130 0.000 2.379 310 I HA -0.112 nan 4.170 nan 0.000 0.290 310 I C -0.317 175.819 176.117 0.031 0.000 1.063 310 I CA 1.099 62.342 61.300 -0.096 0.000 1.351 310 I CB -0.010 38.075 38.000 0.142 0.000 1.410 310 I HN 0.440 8.629 8.210 -0.035 0.000 0.505 311 I N 0.958 121.468 120.570 -0.099 0.000 4.018 311 I HA 0.410 nan 4.170 nan 0.000 0.337 311 I C -0.382 175.628 176.117 -0.178 0.000 1.327 311 I CA -0.636 60.649 61.300 -0.026 0.000 1.100 311 I CB 1.367 39.361 38.000 -0.011 0.000 1.025 311 I HN 0.019 8.088 8.210 -0.235 0.000 0.396 312 G N -0.131 108.276 108.800 -0.656 0.000 2.523 312 G HA2 0.180 nan 3.960 nan 0.000 0.291 312 G HA3 0.180 nan 3.960 nan 0.000 0.291 312 G C -3.464 170.288 174.900 -1.913 0.000 1.450 312 G CA -0.422 43.924 45.100 -1.257 0.000 0.790 312 G HN -0.721 7.155 8.290 -0.690 0.000 0.496 313 P HA -0.166 nan 4.420 nan 0.000 0.257 313 P C -0.413 176.251 177.300 -1.059 0.000 1.269 313 P CA 0.636 62.846 63.100 -1.484 0.000 1.122 313 P CB -0.883 30.329 31.700 -0.813 0.000 1.285 314 G N 2.878 110.816 108.800 -1.437 0.000 2.132 314 G HA2 -0.351 nan 3.960 nan 0.000 0.234 314 G HA3 -0.351 nan 3.960 nan 0.000 0.234 314 G C -1.584 172.666 174.900 -1.082 0.000 0.989 314 G CA 0.089 44.133 45.100 -1.760 0.000 0.676 314 G HN 0.045 7.359 8.290 -1.627 0.000 0.522 315 I N -1.285 118.726 120.570 -0.931 0.000 2.466 315 I HA 0.734 nan 4.170 nan 0.000 0.289 315 I C -2.400 173.417 176.117 -0.501 0.000 1.026 315 I CA -0.797 60.182 61.300 -0.535 0.000 1.078 315 I CB 2.239 39.983 38.000 -0.427 0.000 1.249 315 I HN -0.351 7.099 8.210 -1.115 0.091 0.429 316 V N 7.054 126.742 119.914 -0.376 0.000 3.007 316 V HA 0.785 nan 4.120 nan 0.000 0.311 316 V C -2.567 173.304 176.094 -0.371 0.000 1.120 316 V CA -2.606 59.419 62.300 -0.459 0.000 0.980 316 V CB 4.668 36.047 31.823 -0.740 0.000 1.033 316 V HN 0.813 8.833 8.190 -0.282 0.000 0.429 317 L N 6.765 127.771 121.223 -0.361 0.000 2.262 317 L HA 0.640 nan 4.340 nan 0.000 0.288 317 L C -1.730 174.970 176.870 -0.284 0.000 1.035 317 L CA -1.289 53.405 54.840 -0.242 0.000 0.820 317 L CB 0.715 42.698 42.059 -0.126 0.000 1.204 317 L HN 0.498 8.487 8.230 -0.400 0.000 0.424 318 S N 4.952 120.522 115.700 -0.217 0.000 2.438 318 S HA 0.113 nan 4.470 nan 0.000 0.316 318 S C -1.079 173.393 174.600 -0.213 0.000 1.084 318 S CA -1.953 56.163 58.200 -0.139 0.000 1.107 318 S CB 0.637 63.819 63.200 -0.029 0.000 0.981 318 S HN 0.518 8.716 8.310 -0.187 0.000 0.466 319 N N 9.544 128.046 118.700 -0.329 0.000 2.411 319 N HA -0.017 nan 4.740 nan 0.000 0.265 319 N C 0.170 175.391 175.510 -0.482 0.000 1.266 319 N CA -1.114 51.555 53.050 -0.635 0.000 0.889 319 N CB 0.806 38.834 38.487 -0.764 0.000 1.069 319 N HN -0.096 8.117 8.380 -0.279 0.000 0.476 320 P HA -0.167 nan 4.420 nan 0.000 0.218 320 P C -0.303 176.909 177.300 -0.146 0.000 1.148 320 P CA 2.405 65.391 63.100 -0.189 0.000 0.822 320 P CB -0.257 31.415 31.700 -0.047 0.000 0.784 321 D N -4.032 116.237 120.400 -0.218 0.000 2.277 321 D HA -0.051 nan 4.640 nan 0.000 0.208 321 D C 0.279 176.505 176.300 -0.123 0.000 0.962 321 D CA 1.247 55.193 54.000 -0.090 0.000 0.865 321 D CB -0.364 40.452 40.800 0.027 0.000 0.939 321 D HN 0.044 8.154 8.370 -0.415 0.011 0.510 322 R N -1.153 119.226 120.500 -0.203 0.000 2.868 322 R HA 0.396 nan 4.340 nan 0.000 0.289 322 R C -2.862 173.389 176.300 -0.082 0.000 1.443 322 R CA -2.565 53.448 56.100 -0.144 0.000 1.651 322 R CB 0.692 30.868 30.300 -0.207 0.000 1.242 322 R HN -0.722 7.223 8.270 -0.299 0.146 0.621 323 P HA -0.056 nan 4.420 nan 0.000 0.268 323 P C -1.301 175.970 177.300 -0.048 0.000 1.205 323 P CA -0.508 62.577 63.100 -0.024 0.000 0.771 323 P CB 0.766 32.449 31.700 -0.029 0.000 0.858 324 C N 4.013 123.331 119.300 0.031 0.000 2.585 324 C HA 0.120 nan 4.460 nan 0.000 0.406 324 C C 1.980 176.844 174.990 -0.210 0.000 1.312 324 C CA -0.854 58.075 59.018 -0.148 0.000 1.924 324 C CB -0.014 27.650 27.740 -0.127 0.000 2.578 324 C HN 0.656 8.942 8.230 0.093 0.000 0.580 325 H N 7.518 126.510 119.070 -0.130 0.000 2.491 325 H HA -0.228 nan 4.556 nan 0.000 0.290 325 H C 1.088 176.378 175.328 -0.063 0.000 1.050 325 H CA 2.305 58.306 56.048 -0.077 0.000 1.309 325 H CB 0.015 29.723 29.762 -0.090 0.000 1.392 325 H HN 0.783 8.569 8.280 -0.645 0.107 0.554 326 Q N -2.527 117.281 119.800 0.012 0.000 2.201 326 Q HA 0.154 nan 4.340 nan 0.000 0.236 326 Q C 0.383 176.451 176.000 0.113 0.000 0.857 326 Q CA -1.070 54.744 55.803 0.018 0.000 1.025 326 Q CB -0.815 27.902 28.738 -0.035 0.000 1.124 326 Q HN -0.594 7.578 8.270 -0.094 0.041 0.473 327 I N 1.782 122.439 120.570 0.144 0.000 2.399 327 I HA -0.541 nan 4.170 nan 0.000 0.254 327 I C 0.083 176.337 176.117 0.228 0.000 1.146 327 I CA 2.755 64.213 61.300 0.262 0.000 1.412 327 I CB 0.147 38.237 38.000 0.150 0.000 1.076 327 I HN -0.651 7.533 8.210 0.079 0.074 0.432 328 D N -0.692 119.760 120.400 0.087 0.000 2.178 328 D HA -0.309 nan 4.640 nan 0.000 0.201 328 D C 2.187 178.448 176.300 -0.065 0.000 0.980 328 D CA 3.934 57.948 54.000 0.023 0.000 0.842 328 D CB -0.270 40.531 40.800 0.002 0.000 0.948 328 D HN 0.001 8.382 8.370 0.068 0.030 0.472 329 L N -0.275 120.831 121.223 -0.196 0.000 2.079 329 L HA -0.312 nan 4.340 nan 0.000 0.210 329 L C 1.350 177.875 176.870 -0.575 0.000 1.081 329 L CA 3.357 57.931 54.840 -0.443 0.000 0.752 329 L CB -0.158 41.480 42.059 -0.701 0.000 0.896 329 L HN -0.179 7.841 8.230 -0.152 0.120 0.433 330 F N -3.373 116.430 119.950 -0.245 0.000 2.335 330 F HA -0.258 nan 4.527 nan 0.000 0.296 330 F C 1.787 177.521 175.800 -0.110 0.000 1.091 330 F CA 3.448 61.230 58.000 -0.362 0.000 1.399 330 F CB -0.506 38.325 39.000 -0.283 0.000 1.067 330 F HN -0.734 7.350 8.300 -0.187 0.104 0.520 331 K N -0.143 120.341 120.400 0.141 0.000 2.057 331 K HA -0.360 nan 4.320 nan 0.000 0.207 331 K C 2.817 179.458 176.600 0.068 0.000 1.049 331 K CA 3.602 59.961 56.287 0.119 0.000 0.931 331 K CB -0.440 32.115 32.500 0.091 0.000 0.714 331 K HN 0.022 8.280 8.250 0.147 0.080 0.440 332 K N -0.977 119.426 120.400 0.005 0.000 2.209 332 K HA -0.225 nan 4.320 nan 0.000 0.204 332 K C 1.556 178.158 176.600 0.003 0.000 1.048 332 K CA 2.442 58.723 56.287 -0.010 0.000 0.940 332 K CB -0.348 32.122 32.500 -0.050 0.000 0.729 332 K HN 0.204 8.334 8.250 -0.022 0.107 0.451 333 A N -3.902 118.905 122.820 -0.022 0.000 2.238 333 A HA 0.086 nan 4.320 nan 0.000 0.208 333 A C 0.244 177.978 177.584 0.250 0.000 1.177 333 A CA -0.317 51.745 52.037 0.042 0.000 0.804 333 A CB -0.189 18.703 19.000 -0.181 0.000 0.823 333 A HN -0.550 7.400 8.150 -0.081 0.150 0.482 334 G N -1.876 107.059 108.800 0.225 0.000 2.182 334 G HA2 -0.280 nan 3.960 nan 0.000 0.248 334 G HA3 -0.280 nan 3.960 nan 0.000 0.248 334 G C -0.428 174.678 174.900 0.343 0.000 1.042 334 G CA 0.037 45.276 45.100 0.232 0.000 0.775 334 G HN -0.476 7.725 8.290 0.158 0.184 0.501 335 W N -0.766 120.576 121.300 0.070 0.000 2.381 335 W HA 0.208 nan 4.660 nan 0.000 0.329 335 W C 0.227 176.748 176.519 0.004 0.000 1.157 335 W CA -1.805 55.569 57.345 0.047 0.000 1.240 335 W CB 0.674 30.208 29.460 0.124 0.000 1.199 335 W HN -0.551 7.915 8.180 0.476 0.000 0.579 336 T N 5.945 120.551 114.554 0.088 0.000 2.727 336 T HA 0.202 nan 4.350 nan 0.000 0.298 336 T C -1.267 173.423 174.700 -0.016 0.000 0.942 336 T CA 0.367 62.471 62.100 0.007 0.000 0.997 336 T CB -0.028 68.792 68.868 -0.080 0.000 0.917 336 T HN 1.128 9.238 8.240 -0.049 0.101 0.487 337 I N 7.331 127.908 120.570 0.013 0.000 2.312 337 I HA 0.434 nan 4.170 nan 0.000 0.290 337 I C -0.889 175.191 176.117 -0.061 0.000 1.008 337 I CA -1.010 60.271 61.300 -0.033 0.000 1.226 337 I CB 0.731 38.744 38.000 0.023 0.000 1.371 337 I HN 0.340 8.574 8.210 0.039 0.000 0.468 338 I N 9.458 129.964 120.570 -0.108 0.000 2.377 338 I HA 0.262 nan 4.170 nan 0.000 0.293 338 I C -1.009 175.040 176.117 -0.113 0.000 0.987 338 I CA -2.125 59.109 61.300 -0.110 0.000 1.185 338 I CB 1.560 39.475 38.000 -0.141 0.000 1.341 338 I HN 0.849 8.971 8.210 -0.147 0.000 0.455 339 T N 3.618 118.119 114.554 -0.087 0.000 2.781 339 T HA 0.481 nan 4.350 nan 0.000 0.305 339 T C -1.723 172.942 174.700 -0.057 0.000 1.001 339 T CA -3.740 58.313 62.100 -0.079 0.000 0.950 339 T CB 0.012 68.849 68.868 -0.050 0.000 0.955 339 T HN 0.304 8.500 8.240 -0.073 0.000 0.471 340 P HA 0.288 nan 4.420 nan 0.000 0.270 340 P C -2.384 174.988 177.300 0.121 0.000 1.223 340 P CA -1.464 61.639 63.100 0.006 0.000 0.785 340 P CB -0.572 31.182 31.700 0.091 0.000 0.923 341 P HA 0.088 nan 4.420 nan 0.000 0.276 341 P C -1.353 176.019 177.300 0.120 0.000 1.252 341 P CA -0.324 62.825 63.100 0.082 0.000 0.802 341 P CB 0.491 32.194 31.700 0.005 0.000 1.035 342 T N -3.022 111.561 114.554 0.047 0.000 2.932 342 T HA 0.026 nan 4.350 nan 0.000 0.312 342 T C -1.575 172.951 174.700 -0.289 0.000 1.071 342 T CA -1.658 60.347 62.100 -0.159 0.000 1.128 342 T CB -1.202 67.608 68.868 -0.098 0.000 0.984 342 T HN -0.084 8.187 8.240 0.051 0.000 0.549 343 P HA 0.087 nan 4.420 nan 0.000 0.272 343 P C -0.860 176.293 177.300 -0.245 0.000 1.230 343 P CA -0.519 62.347 63.100 -0.390 0.000 0.788 343 P CB 0.567 31.934 31.700 -0.555 0.000 0.949 344 I N -6.386 114.086 120.570 -0.163 0.000 4.081 344 I HA 0.222 nan 4.170 nan 0.000 0.333 344 I C 0.086 176.137 176.117 -0.109 0.000 1.413 344 I CA -1.021 60.208 61.300 -0.119 0.000 1.110 344 I CB 1.050 39.000 38.000 -0.083 0.000 1.082 344 I HN -0.083 8.521 8.210 -0.146 -0.482 0.402 345 I N 2.409 122.904 120.570 -0.126 0.000 2.683 345 I HA 0.041 nan 4.170 nan 0.000 0.286 345 I C -1.316 174.751 176.117 -0.083 0.000 1.175 345 I CA -1.621 59.614 61.300 -0.109 0.000 1.429 345 I CB 0.782 38.719 38.000 -0.105 0.000 1.371 345 I HN -0.529 7.574 8.210 -0.154 0.014 0.569 346 P HA 0.088 nan 4.420 nan 0.000 0.268 346 P C -0.518 176.775 177.300 -0.011 0.000 1.204 346 P CA -0.375 62.706 63.100 -0.032 0.000 0.768 346 P CB 0.661 32.350 31.700 -0.017 0.000 0.842 347 D N 2.692 123.077 120.400 -0.026 0.000 2.350 347 D HA -0.233 nan 4.640 nan 0.000 0.216 347 D C 0.960 177.249 176.300 -0.018 0.000 0.968 347 D CA 2.686 56.668 54.000 -0.030 0.000 0.894 347 D CB -0.108 40.668 40.800 -0.039 0.000 0.909 347 D HN 0.464 8.814 8.370 -0.033 0.000 0.520 348 D N -6.530 113.870 120.400 0.000 0.000 2.348 348 D HA -0.144 nan 4.640 nan 0.000 0.211 348 D C 0.167 176.478 176.300 0.018 0.000 0.998 348 D CA 0.439 54.441 54.000 0.003 0.000 0.873 348 D CB -0.207 40.597 40.800 0.007 0.000 0.925 348 D HN -0.026 8.284 8.370 0.004 0.063 0.524 349 H N 3.248 122.279 119.070 -0.064 0.000 2.722 349 H HA 0.109 nan 4.556 nan 0.000 0.328 349 H C -1.638 173.610 175.328 -0.134 0.000 1.067 349 H CA -1.658 54.338 56.048 -0.087 0.000 1.447 349 H CB 1.215 30.922 29.762 -0.092 0.000 1.469 349 H HN -0.470 7.713 8.280 0.106 0.161 0.544 350 P HA 0.106 nan 4.420 nan 0.000 0.286 350 P C -2.099 174.561 177.300 -1.068 0.000 1.269 350 P CA -0.418 62.214 63.100 -0.780 0.000 0.787 350 P CB 1.253 32.390 31.700 -0.938 0.000 0.920 351 L N 1.820 122.585 121.223 -0.762 0.000 2.445 351 L HA 0.226 nan 4.340 nan 0.000 0.252 351 L C 0.099 176.534 176.870 -0.726 0.000 1.105 351 L CA -0.973 53.517 54.840 -0.584 0.000 0.943 351 L CB 0.054 41.972 42.059 -0.236 0.000 1.277 351 L HN -0.233 7.714 8.230 -0.472 0.000 0.465 352 W N 0.339 121.313 121.300 -0.544 0.000 2.325 352 W HA -0.275 nan 4.660 nan 0.000 0.299 352 W C 0.089 176.607 176.519 -0.002 0.000 1.215 352 W CA 2.225 59.279 57.345 -0.485 0.000 1.244 352 W CB 0.146 29.531 29.460 -0.125 0.000 1.140 352 W HN -0.274 7.263 8.180 -1.072 0.000 0.523 353 M N -4.206 115.548 119.600 0.256 0.000 2.464 353 M HA 0.093 nan 4.480 nan 0.000 0.308 353 M C -1.295 175.123 176.300 0.198 0.000 1.127 353 M CA -0.351 55.142 55.300 0.321 0.000 0.913 353 M CB 3.245 36.076 32.600 0.385 0.000 1.689 353 M HN -0.750 7.619 8.290 0.151 0.012 0.445 354 S N -0.175 115.676 115.700 0.251 0.000 4.014 354 S HA -0.241 nan 4.470 nan 0.000 0.640 354 S C -1.756 172.941 174.600 0.161 0.000 1.561 354 S CA 0.733 59.066 58.200 0.222 0.000 1.726 354 S CB 0.164 63.470 63.200 0.177 0.000 0.326 354 S HN 0.637 9.143 8.310 0.326 0.000 1.792 355 S N -0.713 115.078 115.700 0.153 0.000 2.745 355 S HA 0.458 nan 4.470 nan 0.000 0.306 355 S C -0.055 174.575 174.600 0.051 0.000 1.137 355 S CA -0.888 57.356 58.200 0.074 0.000 0.900 355 S CB 2.893 66.243 63.200 0.249 0.000 1.176 355 S HN -0.023 8.403 8.310 0.193 0.000 0.520 356 K N -1.026 119.346 120.400 -0.046 0.000 2.360 356 K HA -0.190 nan 4.320 nan 0.000 0.201 356 K C 1.431 177.940 176.600 -0.151 0.000 1.046 356 K CA 1.894 58.096 56.287 -0.142 0.000 0.945 356 K CB -0.402 31.933 32.500 -0.275 0.000 0.750 356 K HN 0.551 8.755 8.250 -0.076 0.000 0.464 357 W N -1.910 119.414 121.300 0.040 0.000 2.982 357 W HA -0.145 nan 4.660 nan 0.000 0.239 357 W C 0.956 177.511 176.519 0.060 0.000 1.303 357 W CA 0.386 57.759 57.345 0.046 0.000 1.448 357 W CB -0.510 28.978 29.460 0.047 0.000 1.133 357 W HN -0.688 7.562 8.180 0.209 0.056 0.698 358 L N -0.334 121.019 121.223 0.218 0.000 2.353 358 L HA -0.499 nan 4.340 nan 0.000 0.220 358 L C 2.059 179.043 176.870 0.189 0.000 1.133 358 L CA 2.562 57.513 54.840 0.185 0.000 0.798 358 L CB -0.857 41.273 42.059 0.118 0.000 0.922 358 L HN -0.653 7.562 8.230 0.144 0.101 0.445 359 S N 1.469 117.269 115.700 0.167 0.000 2.400 359 S HA -0.319 nan 4.470 nan 0.000 0.232 359 S C 1.343 176.099 174.600 0.260 0.000 1.025 359 S CA 3.216 61.521 58.200 0.174 0.000 0.993 359 S CB -0.109 63.136 63.200 0.075 0.000 0.808 359 S HN -0.443 7.886 8.310 0.118 0.052 0.478 360 M N -4.385 115.398 119.600 0.306 0.000 2.495 360 M HA 0.212 nan 4.480 nan 0.000 0.237 360 M C 0.268 176.702 176.300 0.223 0.000 1.131 360 M CA 0.247 55.713 55.300 0.277 0.000 1.032 360 M CB 0.514 33.265 32.600 0.251 0.000 1.513 360 M HN -0.472 8.011 8.290 0.358 0.022 0.488 361 N N 3.513 122.354 118.700 0.235 0.000 3.115 361 N HA 0.017 nan 4.740 nan 0.000 0.305 361 N C -1.328 174.360 175.510 0.296 0.000 1.305 361 N CA -0.563 52.617 53.050 0.215 0.000 1.154 361 N CB -1.046 37.572 38.487 0.220 0.000 1.454 361 N HN -0.370 7.952 8.380 0.254 0.210 0.551 362 V N -4.007 116.060 119.914 0.255 0.000 3.003 362 V HA 0.448 nan 4.120 nan 0.000 0.305 362 V C -1.400 174.830 176.094 0.226 0.000 1.078 362 V CA -1.720 60.722 62.300 0.235 0.000 1.083 362 V CB 0.867 32.741 31.823 0.085 0.000 1.039 362 V HN -0.370 7.947 8.190 0.201 -0.006 0.481 363 L N 3.566 124.882 121.223 0.154 0.000 2.325 363 L HA 0.509 nan 4.340 nan 0.000 0.281 363 L C -1.419 175.458 176.870 0.010 0.000 1.004 363 L CA -0.977 53.957 54.840 0.157 0.000 0.823 363 L CB 2.940 45.099 42.059 0.166 0.000 1.236 363 L HN -0.459 7.796 8.230 0.041 0.000 0.415 364 M N 5.242 124.869 119.600 0.045 0.000 2.146 364 M HA 0.254 nan 4.480 nan 0.000 0.357 364 M C 0.559 176.858 176.300 -0.001 0.000 1.261 364 M CA -1.143 54.151 55.300 -0.009 0.000 1.106 364 M CB -0.423 32.212 32.600 0.058 0.000 1.612 364 M HN 0.659 9.024 8.290 0.126 0.000 0.470 365 L N 2.973 124.171 121.223 -0.041 0.000 2.341 365 L HA -0.141 nan 4.340 nan 0.000 0.214 365 L C -0.405 176.463 176.870 -0.004 0.000 1.115 365 L CA 1.920 56.743 54.840 -0.029 0.000 0.820 365 L CB -0.170 41.857 42.059 -0.052 0.000 0.944 365 L HN 0.867 9.049 8.230 -0.080 0.000 0.452 366 D N -4.208 116.198 120.400 0.010 0.000 2.893 366 D HA -0.021 nan 4.640 nan 0.000 0.346 366 D C 0.744 177.079 176.300 0.057 0.000 1.402 366 D CA -0.468 53.561 54.000 0.049 0.000 0.815 366 D CB -0.379 40.440 40.800 0.032 0.000 1.403 366 D HN -0.671 7.659 8.370 -0.010 0.033 0.484 367 E N -1.608 118.637 120.200 0.074 0.000 2.118 367 E HA -0.276 nan 4.350 nan 0.000 0.195 367 E C 0.748 177.329 176.600 -0.032 0.000 0.992 367 E CA 2.962 59.373 56.400 0.018 0.000 0.804 367 E CB -0.048 29.646 29.700 -0.011 0.000 0.741 367 E HN 0.291 8.707 8.360 0.094 0.000 0.458 368 K N -4.880 115.503 120.400 -0.028 0.000 2.358 368 K HA 0.181 nan 4.320 nan 0.000 0.200 368 K C -1.066 175.494 176.600 -0.066 0.000 1.030 368 K CA -0.914 55.348 56.287 -0.042 0.000 1.097 368 K CB 1.083 33.566 32.500 -0.028 0.000 0.862 368 K HN -0.366 8.055 8.250 -0.011 -0.178 0.534 369 R N -1.346 119.106 120.500 -0.080 0.000 2.439 369 R HA 0.559 nan 4.340 nan 0.000 0.310 369 R C -2.463 173.733 176.300 -0.173 0.000 0.955 369 R CA -0.663 55.369 56.100 -0.113 0.000 0.853 369 R CB 2.893 33.144 30.300 -0.082 0.000 1.171 369 R HN -0.378 7.981 8.270 -0.062 -0.127 0.449 370 V N 4.712 124.463 119.914 -0.272 0.000 2.769 370 V HA 0.743 nan 4.120 nan 0.000 0.312 370 V C -2.386 173.485 176.094 -0.371 0.000 1.061 370 V CA -2.891 59.176 62.300 -0.388 0.000 0.931 370 V CB 4.304 35.658 31.823 -0.782 0.000 1.010 370 V HN 0.683 8.719 8.190 -0.258 0.000 0.433 371 M N 9.090 128.455 119.600 -0.392 0.000 2.055 371 M HA 0.500 nan 4.480 nan 0.000 0.347 371 M C -2.379 173.487 176.300 -0.724 0.000 1.123 371 M CA -0.392 54.575 55.300 -0.556 0.000 1.035 371 M CB 0.994 33.233 32.600 -0.602 0.000 1.484 371 M HN 0.189 8.280 8.290 -0.332 0.000 0.428 372 V N 5.408 125.008 119.914 -0.524 0.000 2.960 372 V HA 0.468 nan 4.120 nan 0.000 0.315 372 V C -2.396 173.654 176.094 -0.072 0.000 1.087 372 V CA -3.539 58.626 62.300 -0.225 0.000 0.982 372 V CB 3.958 35.765 31.823 -0.027 0.000 1.039 372 V HN -0.072 7.863 8.190 -0.425 0.000 0.437 373 D N 3.531 124.088 120.400 0.262 0.000 2.458 373 D HA -0.123 nan 4.640 nan 0.000 0.243 373 D C 0.936 177.303 176.300 0.112 0.000 1.146 373 D CA 1.444 55.619 54.000 0.291 0.000 0.877 373 D CB 1.114 42.049 40.800 0.225 0.000 1.176 373 D HN 0.314 8.871 8.370 0.312 0.000 0.461 374 A N 7.901 130.770 122.820 0.081 0.000 2.070 374 A HA -0.250 nan 4.320 nan 0.000 0.220 374 A C 1.005 178.595 177.584 0.010 0.000 1.159 374 A CA 2.501 54.553 52.037 0.025 0.000 0.656 374 A CB 0.034 19.041 19.000 0.011 0.000 0.800 374 A HN 0.521 8.641 8.150 0.125 0.105 0.453 375 N N -4.323 114.381 118.700 0.007 0.000 2.405 375 N HA -0.011 nan 4.740 nan 0.000 0.175 375 N C -0.178 175.324 175.510 -0.014 0.000 1.051 375 N CA 1.426 54.464 53.050 -0.019 0.000 0.899 375 N CB 0.738 39.194 38.487 -0.051 0.000 1.000 375 N HN -0.411 8.225 8.380 0.023 -0.242 0.451 376 E N 1.624 121.832 120.200 0.012 0.000 1.892 376 E HA 0.083 nan 4.350 nan 0.000 0.271 376 E C -0.039 176.573 176.600 0.020 0.000 1.146 376 E CA -0.725 55.682 56.400 0.011 0.000 1.096 376 E CB -1.822 27.903 29.700 0.041 0.000 1.155 376 E HN -0.558 7.715 8.360 0.036 0.109 0.458 377 V N 3.668 123.582 119.914 0.001 0.000 2.287 377 V HA -0.300 nan 4.120 nan 0.000 0.248 377 V C -0.440 175.656 176.094 0.003 0.000 1.053 377 V CA 6.082 68.385 62.300 0.004 0.000 1.027 377 V CB -2.832 28.987 31.823 -0.007 0.000 0.646 377 V HN -0.372 7.768 8.190 -0.011 0.043 0.447 378 P HA -0.285 nan 4.420 nan 0.000 0.215 378 P C 1.679 178.961 177.300 -0.030 0.000 1.157 378 P CA 3.590 66.678 63.100 -0.021 0.000 0.874 378 P CB -0.357 31.325 31.700 -0.029 0.000 0.790 379 I N -4.210 116.351 120.570 -0.015 0.000 2.546 379 I HA -0.433 nan 4.170 nan 0.000 0.255 379 I C 1.183 177.300 176.117 -0.000 0.000 1.163 379 I CA 2.573 63.843 61.300 -0.051 0.000 1.457 379 I CB -0.238 37.776 38.000 0.025 0.000 1.092 379 I HN -0.654 7.558 8.210 0.003 0.000 0.434 380 Q N -0.137 119.720 119.800 0.095 0.000 2.050 380 Q HA -0.399 nan 4.340 nan 0.000 0.202 380 Q C 2.457 178.516 176.000 0.098 0.000 0.980 380 Q CA 3.706 59.602 55.803 0.155 0.000 0.840 380 Q CB -0.429 28.359 28.738 0.084 0.000 0.898 380 Q HN -0.548 7.654 8.270 0.068 0.108 0.424 381 K N -1.064 119.352 120.400 0.026 0.000 2.097 381 K HA -0.287 nan 4.320 nan 0.000 0.206 381 K C 2.180 178.764 176.600 -0.026 0.000 1.049 381 K CA 2.343 58.632 56.287 0.002 0.000 0.933 381 K CB -0.640 31.852 32.500 -0.013 0.000 0.717 381 K HN -0.112 8.147 8.250 0.016 0.000 0.442 382 M N 0.107 119.650 119.600 -0.096 0.000 2.067 382 M HA -0.366 nan 4.480 nan 0.000 0.260 382 M C 2.064 178.263 176.300 -0.167 0.000 1.069 382 M CA 3.942 59.132 55.300 -0.184 0.000 1.117 382 M CB -0.075 32.323 32.600 -0.337 0.000 1.334 382 M HN -0.727 7.404 8.290 -0.101 0.098 0.407 383 F N -2.441 117.495 119.950 -0.025 0.000 2.126 383 F HA -0.445 nan 4.527 nan 0.000 0.299 383 F C 2.274 178.052 175.800 -0.035 0.000 1.096 383 F CA 3.616 61.596 58.000 -0.035 0.000 1.255 383 F CB -0.933 38.045 39.000 -0.036 0.000 0.997 383 F HN -0.388 7.778 8.300 -0.224 0.000 0.479 384 E N -1.136 119.151 120.200 0.144 0.000 2.077 384 E HA -0.350 nan 4.350 nan 0.000 0.193 384 E C 3.002 179.621 176.600 0.033 0.000 0.989 384 E CA 3.078 59.520 56.400 0.071 0.000 0.800 384 E CB -0.425 29.304 29.700 0.049 0.000 0.746 384 E HN -0.232 8.212 8.360 0.144 0.003 0.452 385 K N -0.379 120.027 120.400 0.011 0.000 2.280 385 K HA -0.227 nan 4.320 nan 0.000 0.202 385 K C 1.459 178.056 176.600 -0.005 0.000 1.047 385 K CA 2.553 58.836 56.287 -0.006 0.000 0.942 385 K CB -0.212 32.274 32.500 -0.023 0.000 0.739 385 K HN -0.178 8.074 8.250 0.004 0.000 0.457 386 L N -4.107 117.119 121.223 0.006 0.000 2.558 386 L HA -0.053 nan 4.340 nan 0.000 0.225 386 L C -0.111 176.768 176.870 0.014 0.000 1.128 386 L CA 0.049 54.893 54.840 0.006 0.000 0.868 386 L CB 0.277 42.346 42.059 0.016 0.000 1.006 386 L HN -0.827 7.265 8.230 0.018 0.148 0.454 387 G N -2.781 106.033 108.800 0.023 0.000 2.159 387 G HA2 -0.345 nan 3.960 nan 0.000 0.227 387 G HA3 -0.345 nan 3.960 nan 0.000 0.227 387 G C -0.428 174.480 174.900 0.014 0.000 0.986 387 G CA -0.153 44.954 45.100 0.012 0.000 0.651 387 G HN -0.487 7.641 8.290 0.031 0.181 0.523 388 I N 1.345 121.941 120.570 0.044 0.000 2.315 388 I HA -0.056 nan 4.170 nan 0.000 0.291 388 I C -0.543 175.575 176.117 0.001 0.000 1.006 388 I CA -0.403 60.909 61.300 0.020 0.000 1.265 388 I CB 0.422 38.458 38.000 0.059 0.000 1.387 388 I HN -0.333 7.878 8.210 0.079 0.046 0.475 389 T N 10.581 125.111 114.554 -0.039 0.000 2.784 389 T HA 0.059 nan 4.350 nan 0.000 0.291 389 T C -0.086 174.559 174.700 -0.091 0.000 0.942 389 T CA 0.742 62.813 62.100 -0.049 0.000 1.161 389 T CB -0.162 68.674 68.868 -0.052 0.000 0.885 389 T HN 0.643 8.857 8.240 -0.044 0.000 0.534 390 T N 3.315 117.829 114.554 -0.067 0.000 2.817 390 T HA 0.508 nan 4.350 nan 0.000 0.293 390 T C -0.241 174.391 174.700 -0.112 0.000 0.964 390 T CA -1.529 60.510 62.100 -0.102 0.000 1.085 390 T CB 0.232 69.083 68.868 -0.028 0.000 0.921 390 T HN 0.290 8.512 8.240 -0.030 0.000 0.502 391 I N 6.237 126.707 120.570 -0.167 0.000 2.412 391 I HA 0.169 nan 4.170 nan 0.000 0.279 391 I C -0.887 175.118 176.117 -0.187 0.000 1.063 391 I CA -0.854 60.353 61.300 -0.156 0.000 1.193 391 I CB 0.415 38.314 38.000 -0.168 0.000 1.370 391 I HN 0.823 8.899 8.210 -0.223 0.000 0.479 392 K N 6.499 126.827 120.400 -0.120 0.000 2.383 392 K HA 0.095 nan 4.320 nan 0.000 0.286 392 K C -1.168 175.386 176.600 -0.077 0.000 1.051 392 K CA 0.583 56.813 56.287 -0.095 0.000 0.974 392 K CB 0.141 32.614 32.500 -0.045 0.000 0.968 392 K HN 0.190 8.386 8.250 -0.090 0.000 0.475 393 V N 3.915 123.797 119.914 -0.054 0.000 2.841 393 V HA 0.197 nan 4.120 nan 0.000 0.310 393 V C -1.537 174.652 176.094 0.159 0.000 1.090 393 V CA -1.735 60.589 62.300 0.041 0.000 0.930 393 V CB 4.169 36.032 31.823 0.067 0.000 1.014 393 V HN 0.207 8.352 8.190 -0.076 0.000 0.425 394 N N 4.626 123.370 118.700 0.072 0.000 2.422 394 N HA 0.336 nan 4.740 nan 0.000 0.266 394 N C -0.788 174.700 175.510 -0.036 0.000 1.007 394 N CA -0.233 52.832 53.050 0.025 0.000 0.941 394 N CB 0.825 39.295 38.487 -0.027 0.000 1.115 394 N HN 0.339 8.739 8.380 0.034 0.000 0.492 395 I N -0.585 119.927 120.570 -0.097 0.000 3.007 395 I HA 0.343 nan 4.170 nan 0.000 0.333 395 I C -0.135 175.855 176.117 -0.211 0.000 1.489 395 I CA -1.913 59.244 61.300 -0.239 0.000 0.906 395 I CB 0.489 38.207 38.000 -0.471 0.000 1.702 395 I HN 0.097 8.273 8.210 -0.057 0.000 0.548 396 R N 3.519 123.915 120.500 -0.174 0.000 2.096 396 R HA -0.405 nan 4.340 nan 0.000 0.240 396 R C 1.258 177.500 176.300 -0.097 0.000 1.139 396 R CA 3.545 59.510 56.100 -0.225 0.000 0.952 396 R CB -0.397 29.706 30.300 -0.328 0.000 0.854 396 R HN -0.093 8.331 8.270 -0.153 -0.246 0.436 397 N N -1.059 117.608 118.700 -0.054 0.000 2.331 397 N HA -0.196 nan 4.740 nan 0.000 0.180 397 N C 2.421 178.055 175.510 0.206 0.000 1.019 397 N CA 3.261 56.374 53.050 0.105 0.000 0.881 397 N CB -0.279 38.115 38.487 -0.155 0.000 0.972 397 N HN -0.311 8.398 8.380 -0.123 -0.403 0.435 398 A N 0.656 123.466 122.820 -0.017 0.000 2.015 398 A HA -0.186 nan 4.320 nan 0.000 0.219 398 A C 2.075 179.783 177.584 0.207 0.000 1.163 398 A CA 2.675 54.679 52.037 -0.056 0.000 0.646 398 A CB -0.734 17.827 19.000 -0.731 0.000 0.806 398 A HN 0.246 8.479 8.150 -0.132 -0.163 0.448 399 N N -1.394 117.368 118.700 0.103 0.000 2.149 399 N HA -0.262 nan 4.740 nan 0.000 0.188 399 N C 2.511 178.095 175.510 0.122 0.000 1.019 399 N CA 2.479 55.610 53.050 0.135 0.000 0.857 399 N CB -0.728 37.798 38.487 0.065 0.000 0.997 399 N HN 0.018 8.382 8.380 0.006 0.019 0.426 400 S N 1.706 117.453 115.700 0.079 0.000 2.400 400 S HA -0.307 nan 4.470 nan 0.000 0.232 400 S C 1.236 175.820 174.600 -0.025 0.000 1.025 400 S CA 3.298 61.362 58.200 -0.226 0.000 0.993 400 S CB -0.185 62.626 63.200 -0.649 0.000 0.808 400 S HN -0.586 7.822 8.310 0.197 0.020 0.478 401 L N -2.621 118.668 121.223 0.109 0.000 2.456 401 L HA -0.248 nan 4.340 nan 0.000 0.224 401 L C 0.712 177.651 176.870 0.115 0.000 1.148 401 L CA 1.324 56.204 54.840 0.065 0.000 0.825 401 L CB 0.033 42.081 42.059 -0.019 0.000 0.937 401 L HN -0.635 7.676 8.230 0.183 0.029 0.450 402 G N -4.044 104.830 108.800 0.123 0.000 2.164 402 G HA2 -0.162 nan 3.960 nan 0.000 0.154 402 G HA3 -0.162 nan 3.960 nan 0.000 0.154 402 G C -1.080 173.885 174.900 0.108 0.000 1.014 402 G CA -0.502 44.681 45.100 0.137 0.000 0.683 402 G HN -0.082 8.086 8.290 0.126 0.198 0.500 403 G N -2.386 106.494 108.800 0.133 0.000 2.673 403 G HA2 0.101 nan 3.960 nan 0.000 0.292 403 G HA3 0.101 nan 3.960 nan 0.000 0.292 403 G C -2.029 173.038 174.900 0.279 0.000 1.450 403 G CA -0.292 44.895 45.100 0.144 0.000 0.837 403 G HN -1.035 7.384 8.290 0.215 0.000 0.505 404 G N -1.393 107.519 108.800 0.188 0.000 2.695 404 G HA2 0.509 nan 3.960 nan 0.000 0.213 404 G HA3 0.509 nan 3.960 nan 0.000 0.213 404 G C 0.344 175.257 174.900 0.022 0.000 1.406 404 G CA -1.268 43.838 45.100 0.011 0.000 1.049 404 G HN -0.218 8.179 8.290 0.177 0.000 0.573 405 F N 0.383 120.460 119.950 0.212 0.000 2.113 405 F HA -0.275 nan 4.527 nan 0.000 0.297 405 F C 2.163 178.085 175.800 0.204 0.000 1.103 405 F CA 4.158 62.266 58.000 0.179 0.000 1.248 405 F CB 0.105 39.164 39.000 0.099 0.000 0.999 405 F HN -0.357 7.960 8.300 0.029 0.000 0.475 406 H N -1.239 117.997 119.070 0.278 0.000 2.421 406 H HA -0.320 nan 4.556 nan 0.000 0.298 406 H C 2.010 177.410 175.328 0.120 0.000 1.087 406 H CA 4.627 60.782 56.048 0.178 0.000 1.330 406 H CB 0.494 30.346 29.762 0.150 0.000 1.388 406 H HN -0.238 8.333 8.280 0.485 0.000 0.526 407 C N -1.689 117.725 119.300 0.190 0.000 2.485 407 C HA -0.148 nan 4.460 nan 0.000 0.278 407 C C 1.852 176.803 174.990 -0.065 0.000 1.356 407 C CA 4.165 63.198 59.018 0.025 0.000 1.747 407 C CB -1.312 26.428 27.740 0.000 0.000 2.001 407 C HN 0.319 8.676 8.230 0.257 0.028 0.501 408 W N -1.489 119.782 121.300 -0.049 0.000 3.077 408 W HA -0.157 nan 4.660 nan 0.000 0.245 408 W C -1.008 175.499 176.519 -0.019 0.000 1.316 408 W CA 1.984 59.295 57.345 -0.057 0.000 1.537 408 W CB -0.164 29.245 29.460 -0.085 0.000 1.131 408 W HN -0.084 8.297 8.180 0.335 0.000 0.695 409 T N -8.362 106.268 114.554 0.127 0.000 2.887 409 T HA 0.605 nan 4.350 nan 0.000 0.292 409 T C -2.917 171.755 174.700 -0.047 0.000 1.087 409 T CA -2.452 59.688 62.100 0.067 0.000 1.009 409 T CB 3.397 72.311 68.868 0.076 0.000 1.203 409 T HN -0.626 7.599 8.240 0.083 0.065 0.518 410 C N 2.202 121.485 119.300 -0.030 0.000 2.620 410 C HA 0.423 nan 4.460 nan 0.000 0.356 410 C C -2.117 172.846 174.990 -0.044 0.000 1.082 410 C CA -1.247 57.728 59.018 -0.072 0.000 1.293 410 C CB 1.944 29.644 27.740 -0.066 0.000 1.836 410 C HN 0.261 8.504 8.230 0.021 0.000 0.453 411 D N 7.534 127.889 120.400 -0.074 0.000 2.358 411 D HA -0.063 nan 4.640 nan 0.000 0.258 411 D C -0.625 175.623 176.300 -0.086 0.000 1.223 411 D CA 0.580 54.541 54.000 -0.065 0.000 0.886 411 D CB -0.002 40.754 40.800 -0.074 0.000 1.120 411 D HN -0.089 8.217 8.370 -0.108 0.000 0.482 412 V N 0.658 120.520 119.914 -0.086 0.000 2.825 412 V HA 0.022 nan 4.120 nan 0.000 0.246 412 V C -0.401 175.567 176.094 -0.211 0.000 1.068 412 V CA 1.945 64.147 62.300 -0.164 0.000 1.088 412 V CB 0.949 32.660 31.823 -0.187 0.000 0.733 412 V HN 0.139 8.297 8.190 -0.054 0.000 0.468 413 R N -2.069 118.338 120.500 -0.155 0.000 2.548 413 R HA 0.497 nan 4.340 nan 0.000 0.280 413 R C -2.620 173.618 176.300 -0.103 0.000 1.061 413 R CA -0.389 55.622 56.100 -0.149 0.000 0.915 413 R CB 3.306 33.522 30.300 -0.140 0.000 1.210 413 R HN -0.582 7.621 8.270 -0.113 0.000 0.442 414 R N 4.101 124.537 120.500 -0.106 0.000 2.628 414 R HA 0.577 nan 4.340 nan 0.000 0.288 414 R C -1.772 174.505 176.300 -0.038 0.000 0.980 414 R CA -1.442 54.615 56.100 -0.071 0.000 0.891 414 R CB 3.843 34.085 30.300 -0.096 0.000 1.188 414 R HN 0.715 8.904 8.270 -0.135 0.000 0.450 415 R N 3.805 124.301 120.500 -0.007 0.000 2.288 415 R HA -0.072 nan 4.340 nan 0.000 0.330 415 R C -0.897 175.438 176.300 0.059 0.000 1.069 415 R CA 0.806 56.920 56.100 0.023 0.000 0.941 415 R CB -0.004 30.309 30.300 0.022 0.000 0.998 415 R HN 0.620 8.780 8.270 -0.008 0.105 0.452 416 G N 4.381 113.241 108.800 0.100 0.000 2.317 416 G HA2 0.075 nan 3.960 nan 0.000 0.293 416 G HA3 0.075 nan 3.960 nan 0.000 0.293 416 G C -2.731 172.305 174.900 0.226 0.000 1.287 416 G CA 0.316 45.505 45.100 0.148 0.000 0.850 416 G HN -0.245 8.106 8.290 0.102 0.000 0.515 417 T N -3.912 110.744 114.554 0.169 0.000 2.887 417 T HA 0.348 nan 4.350 nan 0.000 0.292 417 T C -1.106 173.416 174.700 -0.297 0.000 1.087 417 T CA -2.059 60.034 62.100 -0.011 0.000 1.009 417 T CB 2.980 71.824 68.868 -0.039 0.000 1.203 417 T HN 0.148 8.483 8.240 0.159 0.000 0.518 418 L N 1.005 121.757 121.223 -0.784 0.000 2.367 418 L HA 0.195 nan 4.340 nan 0.000 0.275 418 L C -1.001 175.680 176.870 -0.315 0.000 1.129 418 L CA 0.211 54.620 54.840 -0.718 0.000 0.839 418 L CB 0.673 42.235 42.059 -0.828 0.000 1.133 418 L HN 0.154 7.933 8.230 -0.752 0.000 0.453 419 Q N 3.545 123.206 119.800 -0.232 0.000 2.626 419 Q HA 0.269 nan 4.340 nan 0.000 0.300 419 Q C -2.301 173.425 176.000 -0.456 0.000 0.988 419 Q CA -1.259 54.347 55.803 -0.329 0.000 0.761 419 Q CB 3.920 32.432 28.738 -0.376 0.000 1.494 419 Q HN 0.092 8.280 8.270 -0.137 0.000 0.439 420 S N -0.477 114.950 115.700 -0.454 0.000 2.472 420 S HA 0.367 nan 4.470 nan 0.000 0.303 420 S C -0.679 173.695 174.600 -0.377 0.000 1.099 420 S CA -1.656 56.376 58.200 -0.281 0.000 1.077 420 S CB 0.629 63.779 63.200 -0.083 0.000 1.031 420 S HN 0.180 8.267 8.310 -0.372 0.000 0.487 421 Y N 4.121 124.626 120.300 0.341 0.000 2.500 421 Y HA 0.201 nan 4.550 nan 0.000 0.246 421 Y C -0.333 175.916 175.900 0.582 0.000 1.146 421 Y CA -0.430 57.899 58.100 0.380 0.000 1.230 421 Y CB 0.937 39.607 38.460 0.349 0.000 1.214 421 Y HN 0.998 9.460 8.280 0.304 0.000 0.526 422 L N -1.023 120.517 121.223 0.529 0.000 2.667 422 L HA -0.003 nan 4.340 nan 0.000 0.232 422 L C -0.946 176.047 176.870 0.204 0.000 1.138 422 L CA -0.008 55.055 54.840 0.372 0.000 0.921 422 L CB 0.046 42.231 42.059 0.210 0.000 1.180 422 L HN -0.732 7.668 8.230 0.372 0.053 0.487 423 D N 0.000 120.519 120.400 0.198 0.000 6.856 423 D HA 0.000 nan 4.640 nan 0.000 0.175 423 D CA 0.000 54.067 54.000 0.112 0.000 0.868 423 D CB 0.000 40.861 40.800 0.102 0.000 0.688 423 D HN 0.000 8.417 8.370 0.238 0.096 0.683