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 2wrn_1_Z DATA FIRST_RESID 8 DATA SEQUENCE TKPHVNVGTI GHVDHGKTTL TAALTYVAAA ENPNVXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXH VEYETAKRHY SHVDCPGHAD YIKNMITGAA QMDGAILVVS DATA SEQUENCE AADGPMPQTR EHILLARQVG VPYIVVFMNK VDMVDDPELL DLVEMEVRDL DATA SEQUENCE LNQYEFPGDE VPVIRGSALL ALEQMHRNPK TRRGENEWVD KIWELLDAID DATA SEQUENCE EYIPTPVRDV DKPFLMPVED VFTITGRGTV ATGRIERGKV KVGDEVEIVG DATA SEQUENCE LAPETRRTVV TGVEMHRKTL QEGIAGDNVG VLLRGVSREE VERGQVLAKP DATA SEQUENCE GSITPHTKFE ASVYVLKKEE GGRHTGFFSG YRPQFYFRTT DVTGVVQLPP DATA SEQUENCE GVEMVMPGDN VTFTVELIKP VALEEGLRFA IREGGRTVGA GVVTKILE 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.727 174.700 0.045 0.000 1.109 8 T CA 0.000 62.127 62.100 0.045 0.000 1.349 8 T CB 0.000 68.896 68.868 0.047 0.000 0.612 9 K N 3.520 123.957 120.400 0.061 0.000 2.484 9 K HA 0.344 4.664 4.320 -0.000 0.000 0.280 9 K C -2.452 174.175 176.600 0.046 0.000 1.013 9 K CA -0.986 55.334 56.287 0.054 0.000 1.029 9 K CB -0.108 32.433 32.500 0.068 0.000 0.902 9 K HN 0.368 nan 8.250 nan 0.000 0.481 10 P HA -0.088 nan 4.420 nan 0.000 0.266 10 P C -0.552 176.738 177.300 -0.017 0.000 1.186 10 P CA 0.501 63.597 63.100 -0.006 0.000 0.767 10 P CB 0.339 32.024 31.700 -0.026 0.000 0.820 11 H N 1.648 120.629 119.070 -0.149 0.000 2.569 11 H HA 0.690 5.246 4.556 -0.000 0.000 0.357 11 H C -1.422 173.788 175.328 -0.196 0.000 1.153 11 H CA -0.786 55.130 56.048 -0.220 0.000 1.193 11 H CB 1.070 30.667 29.762 -0.275 0.000 1.602 11 H HN 0.053 nan 8.280 nan 0.000 0.523 12 V N 5.433 124.805 119.914 -0.903 0.000 2.655 12 V HA 0.176 4.296 4.120 -0.000 0.000 0.301 12 V C -0.896 174.960 176.094 -0.396 0.000 1.082 12 V CA -1.220 60.688 62.300 -0.652 0.000 0.899 12 V CB 1.738 33.400 31.823 -0.269 0.000 1.014 12 V HN 0.983 nan 8.190 nan 0.000 0.429 13 N N 4.928 123.429 118.700 -0.333 0.000 2.452 13 N HA 0.411 5.150 4.740 -0.000 0.000 0.266 13 N C -0.234 175.275 175.510 -0.003 0.000 1.175 13 N CA -0.129 52.898 53.050 -0.039 0.000 0.945 13 N CB 2.135 40.620 38.487 -0.003 0.000 1.063 13 N HN 0.590 nan 8.380 nan 0.000 0.472 14 V N -1.430 118.481 119.914 -0.005 0.000 3.119 14 V HA 1.028 5.147 4.120 -0.000 0.000 0.311 14 V C 0.357 176.259 176.094 -0.320 0.000 1.259 14 V CA -0.656 61.569 62.300 -0.125 0.000 1.067 14 V CB 1.501 33.242 31.823 -0.135 0.000 1.123 14 V HN 0.855 nan 8.190 nan 0.000 0.463 15 G N -0.368 108.159 108.800 -0.454 0.000 2.489 15 G HA2 0.703 4.663 3.960 -0.000 0.000 0.305 15 G HA3 0.703 4.663 3.960 -0.000 0.000 0.305 15 G C -0.765 173.989 174.900 -0.243 0.000 1.311 15 G CA 0.122 44.929 45.100 -0.488 0.000 0.813 15 G HN 1.479 nan 8.290 nan 0.000 0.480 16 T N -1.729 112.904 114.554 0.133 0.000 2.927 16 T HA 0.845 5.195 4.350 -0.000 0.000 0.286 16 T C 0.162 174.936 174.700 0.123 0.000 1.040 16 T CA -0.192 61.995 62.100 0.146 0.000 1.010 16 T CB 1.769 70.775 68.868 0.230 0.000 1.177 16 T HN 1.579 nan 8.240 nan 0.000 0.546 17 I N -3.967 116.672 120.570 0.115 0.000 3.421 17 I HA 0.841 5.011 4.170 -0.000 0.000 0.319 17 I C -0.006 176.179 176.117 0.113 0.000 1.258 17 I CA -1.085 60.292 61.300 0.128 0.000 0.913 17 I CB 1.345 39.423 38.000 0.129 0.000 1.328 17 I HN 1.282 nan 8.210 nan 0.000 0.480 18 G N 0.621 109.480 108.800 0.098 0.000 2.373 18 G HA2 0.033 3.993 3.960 -0.000 0.000 0.634 18 G HA3 0.033 3.993 3.960 -0.000 0.000 0.634 18 G C -1.554 173.307 174.900 -0.065 0.000 1.267 18 G CA -0.296 44.858 45.100 0.089 0.000 1.008 18 G HN 1.207 nan 8.290 nan 0.000 0.497 19 H N 0.000 118.995 119.070 -0.125 0.000 2.562 19 H HA 0.537 5.093 4.556 -0.000 0.000 0.352 19 H C 0.933 176.065 175.328 -0.326 0.000 1.125 19 H CA 0.370 56.221 56.048 -0.329 0.000 1.379 19 H CB 1.399 30.845 29.762 -0.526 0.000 1.464 19 H HN 0.898 nan 8.280 nan 0.000 0.563 20 V N 3.977 123.502 119.914 -0.648 0.000 3.032 20 V HA -0.112 4.008 4.120 -0.000 0.000 0.307 20 V C 0.684 176.757 176.094 -0.036 0.000 1.097 20 V CA 1.452 63.570 62.300 -0.302 0.000 1.191 20 V CB -0.019 31.610 31.823 -0.324 0.000 0.964 20 V HN 1.194 nan 8.190 nan 0.000 0.494 21 D N 1.030 121.428 120.400 -0.004 0.000 2.808 21 D HA -0.268 4.372 4.640 -0.000 0.000 0.195 21 D C 1.063 177.452 176.300 0.148 0.000 1.057 21 D CA 2.161 56.195 54.000 0.057 0.000 1.026 21 D CB -1.324 39.512 40.800 0.061 0.000 1.115 21 D HN 0.985 nan 8.370 nan 0.000 0.421 22 H N -1.335 117.794 119.070 0.099 0.000 2.352 22 H HA 0.036 4.592 4.556 -0.000 0.000 0.299 22 H C 1.961 177.319 175.328 0.049 0.000 1.097 22 H CA 1.222 57.315 56.048 0.074 0.000 1.311 22 H CB 0.069 29.886 29.762 0.092 0.000 1.377 22 H HN 0.362 nan 8.280 nan 0.000 0.504 23 G N -0.272 108.633 108.800 0.174 0.000 2.200 23 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.145 23 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.145 23 G C 1.104 176.049 174.900 0.074 0.000 1.021 23 G CA 0.248 45.403 45.100 0.092 0.000 0.720 23 G HN 0.452 nan 8.290 nan 0.000 0.494 24 K N -0.233 120.224 120.400 0.094 0.000 2.160 24 K HA -0.086 4.234 4.320 -0.000 0.000 0.206 24 K C 1.945 178.557 176.600 0.020 0.000 1.047 24 K CA 1.929 58.261 56.287 0.075 0.000 0.930 24 K CB -0.535 32.018 32.500 0.089 0.000 0.720 24 K HN 0.174 nan 8.250 nan 0.000 0.450 25 T N 0.540 115.092 114.554 -0.003 0.000 2.777 25 T HA -0.129 4.220 4.350 -0.000 0.000 0.266 25 T C 1.968 176.628 174.700 -0.068 0.000 1.040 25 T CA 1.942 64.017 62.100 -0.041 0.000 1.141 25 T CB -0.280 68.560 68.868 -0.046 0.000 0.868 25 T HN 0.519 nan 8.240 nan 0.000 0.444 26 T N 1.530 116.050 114.554 -0.057 0.000 2.937 26 T HA 0.024 4.374 4.350 -0.000 0.000 0.260 26 T C 1.974 176.612 174.700 -0.103 0.000 1.051 26 T CA 0.683 62.732 62.100 -0.085 0.000 1.141 26 T CB -0.384 68.439 68.868 -0.074 0.000 0.879 26 T HN 0.208 nan 8.240 nan 0.000 0.459 27 L N 1.674 122.852 121.223 -0.075 0.000 2.081 27 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 27 L C 2.261 179.041 176.870 -0.151 0.000 1.080 27 L CA 2.374 57.139 54.840 -0.124 0.000 0.754 27 L CB -1.550 40.446 42.059 -0.106 0.000 0.893 27 L HN 0.200 nan 8.230 nan 0.000 0.433 28 T N 0.145 114.619 114.554 -0.132 0.000 2.803 28 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 28 T C 1.952 176.569 174.700 -0.139 0.000 1.052 28 T CA 1.394 63.379 62.100 -0.192 0.000 1.136 28 T CB -0.590 68.101 68.868 -0.295 0.000 0.864 28 T HN 0.616 nan 8.240 nan 0.000 0.467 29 A N 1.435 124.168 122.820 -0.145 0.000 1.873 29 A HA 0.200 4.520 4.320 -0.000 0.000 0.215 29 A C 2.665 180.140 177.584 -0.181 0.000 1.186 29 A CA 1.743 53.682 52.037 -0.164 0.000 0.616 29 A CB -1.137 17.725 19.000 -0.230 0.000 0.823 29 A HN 0.502 nan 8.150 nan 0.000 0.442 30 A N 0.004 122.704 122.820 -0.199 0.000 1.877 30 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 30 A C 2.148 179.625 177.584 -0.178 0.000 1.186 30 A CA 1.474 53.396 52.037 -0.193 0.000 0.620 30 A CB -0.764 18.119 19.000 -0.194 0.000 0.822 30 A HN 0.474 nan 8.150 nan 0.000 0.443 31 L N 0.006 121.102 121.223 -0.212 0.000 2.034 31 L HA -0.280 4.060 4.340 -0.000 0.000 0.217 31 L C 2.877 179.552 176.870 -0.325 0.000 1.077 31 L CA 2.187 56.829 54.840 -0.330 0.000 0.769 31 L CB -1.640 40.345 42.059 -0.124 0.000 0.890 31 L HN 0.738 nan 8.230 nan 0.000 0.435 32 T N -3.159 111.431 114.554 0.058 0.000 2.845 32 T HA -0.203 4.147 4.350 -0.000 0.000 0.224 32 T C 1.362 176.116 174.700 0.090 0.000 1.102 32 T CA 0.857 63.071 62.100 0.190 0.000 1.937 32 T CB -0.794 68.214 68.868 0.233 0.000 1.225 32 T HN 0.155 nan 8.240 nan 0.000 0.383 33 Y N 1.366 121.636 120.300 -0.050 0.000 1.674 33 Y HA -0.373 4.177 4.550 -0.000 0.000 0.120 33 Y C 2.748 178.606 175.900 -0.069 0.000 0.894 33 Y CA 1.925 59.992 58.100 -0.055 0.000 0.587 33 Y CB -1.696 36.721 38.460 -0.071 0.000 0.565 33 Y HN 0.189 nan 8.280 nan 0.000 0.702 34 V N -0.461 119.511 119.914 0.096 0.000 2.257 34 V HA -0.457 3.663 4.120 -0.000 0.000 0.257 34 V C 2.308 178.348 176.094 -0.089 0.000 1.077 34 V CA 2.713 65.001 62.300 -0.020 0.000 1.063 34 V CB -1.711 29.998 31.823 -0.189 0.000 0.664 34 V HN 0.693 nan 8.190 nan 0.000 0.450 35 A N -0.768 121.924 122.820 -0.213 0.000 2.272 35 A HA 0.140 4.460 4.320 -0.000 0.000 0.213 35 A C 2.113 179.674 177.584 -0.039 0.000 1.183 35 A CA 1.648 53.569 52.037 -0.193 0.000 0.719 35 A CB -0.555 18.287 19.000 -0.263 0.000 0.771 35 A HN 0.710 nan 8.150 nan 0.000 0.484 36 A N -1.010 121.799 122.820 -0.019 0.000 2.115 36 A HA 0.508 4.828 4.320 -0.000 0.000 0.211 36 A C 2.266 179.859 177.584 0.015 0.000 1.169 36 A CA 1.123 53.152 52.037 -0.014 0.000 0.787 36 A CB -0.575 18.386 19.000 -0.066 0.000 0.858 36 A HN 0.805 nan 8.150 nan 0.000 0.474 37 A N 1.208 124.058 122.820 0.051 0.000 1.841 37 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 37 A C 1.714 179.349 177.584 0.085 0.000 1.199 37 A CA 1.761 53.844 52.037 0.077 0.000 0.621 37 A CB -0.442 18.634 19.000 0.127 0.000 0.835 37 A HN 0.497 nan 8.150 nan 0.000 0.445 38 E N 0.433 120.714 120.200 0.135 0.000 2.368 38 E HA 0.071 4.421 4.350 -0.000 0.000 0.188 38 E C -1.026 175.633 176.600 0.098 0.000 1.061 38 E CA -0.184 56.288 56.400 0.121 0.000 0.933 38 E CB -0.528 29.274 29.700 0.170 0.000 1.091 38 E HN 0.464 nan 8.360 nan 0.000 0.458 39 N N 2.607 121.348 118.700 0.069 0.000 2.571 39 N HA 0.231 4.971 4.740 -0.000 0.000 0.286 39 N C -2.842 172.680 175.510 0.020 0.000 1.138 39 N CA -1.104 51.973 53.050 0.046 0.000 0.859 39 N CB 2.242 40.756 38.487 0.046 0.000 1.414 39 N HN 0.068 nan 8.380 nan 0.000 0.529 40 P HA 0.047 nan 4.420 nan 0.000 0.269 40 P C 0.008 177.304 177.300 -0.007 0.000 1.215 40 P CA 0.050 63.153 63.100 0.004 0.000 0.780 40 P CB 0.590 32.294 31.700 0.007 0.000 0.898 41 N N 0.566 119.260 118.700 -0.011 0.000 2.525 41 N HA -0.109 4.631 4.740 -0.000 0.000 0.283 41 N C -1.549 173.943 175.510 -0.030 0.000 1.259 41 N CA 0.587 53.627 53.050 -0.018 0.000 0.689 41 N CB -1.164 37.314 38.487 -0.015 0.000 0.899 41 N HN 0.175 nan 8.380 nan 0.000 0.541 68 V N 0.621 120.638 119.914 0.171 0.000 3.102 68 V HA 0.747 4.867 4.120 -0.000 0.000 0.312 68 V C -0.612 175.513 176.094 0.051 0.000 1.135 68 V CA -0.942 61.426 62.300 0.113 0.000 1.022 68 V CB 2.652 34.472 31.823 -0.005 0.000 1.056 68 V HN 0.838 nan 8.190 nan 0.000 0.436 69 E N 2.282 122.457 120.200 -0.042 0.000 2.246 69 E HA 0.691 5.041 4.350 -0.000 0.000 0.266 69 E C -1.778 174.740 176.600 -0.138 0.000 0.880 69 E CA -0.702 55.540 56.400 -0.265 0.000 0.762 69 E CB 2.156 31.621 29.700 -0.391 0.000 1.180 69 E HN 1.010 nan 8.360 nan 0.000 0.416 70 Y N -0.464 119.798 120.300 -0.063 0.000 2.655 70 Y HA 0.659 5.209 4.550 -0.000 0.000 0.336 70 Y C -1.449 174.424 175.900 -0.046 0.000 1.154 70 Y CA -1.657 56.403 58.100 -0.066 0.000 1.055 70 Y CB 1.384 39.809 38.460 -0.057 0.000 1.295 70 Y HN 0.659 nan 8.280 nan 0.000 0.465 71 E N 0.135 120.510 120.200 0.291 0.000 2.307 71 E HA 0.412 4.762 4.350 -0.000 0.000 0.280 71 E C -0.942 175.754 176.600 0.160 0.000 0.900 71 E CA -0.913 55.626 56.400 0.232 0.000 0.790 71 E CB 1.898 31.576 29.700 -0.036 0.000 1.261 71 E HN 0.880 nan 8.360 nan 0.000 0.405 72 T N -0.083 114.598 114.554 0.212 0.000 2.619 72 T HA 0.256 4.606 4.350 -0.000 0.000 0.330 72 T C 1.054 175.838 174.700 0.140 0.000 1.037 72 T CA 0.102 62.283 62.100 0.136 0.000 1.005 72 T CB 0.812 69.787 68.868 0.177 0.000 1.084 72 T HN 0.667 nan 8.240 nan 0.000 0.521 73 A N -0.065 122.852 122.820 0.161 0.000 2.411 73 A HA 0.297 4.617 4.320 -0.000 0.000 0.251 73 A C 1.361 179.011 177.584 0.109 0.000 1.317 73 A CA -0.165 51.949 52.037 0.128 0.000 0.904 73 A CB -0.639 18.444 19.000 0.139 0.000 0.993 73 A HN 0.882 nan 8.150 nan 0.000 0.504 74 K N -1.188 119.283 120.400 0.118 0.000 2.598 74 K HA 0.271 4.591 4.320 -0.000 0.000 0.214 74 K C 0.233 176.883 176.600 0.084 0.000 1.575 74 K CA -0.102 56.244 56.287 0.097 0.000 1.042 74 K CB 0.881 33.445 32.500 0.106 0.000 1.338 74 K HN 0.271 nan 8.250 nan 0.000 0.590 75 R N 0.022 120.586 120.500 0.106 0.000 2.795 75 R HA 0.345 4.685 4.340 -0.000 0.000 0.268 75 R C -1.402 174.951 176.300 0.089 0.000 1.041 75 R CA -0.977 55.150 56.100 0.045 0.000 0.927 75 R CB 1.121 31.373 30.300 -0.079 0.000 1.235 75 R HN -0.021 nan 8.270 nan 0.000 0.463 76 H N 0.394 119.406 119.070 -0.097 0.000 2.533 76 H HA 0.506 5.062 4.556 -0.000 0.000 0.343 76 H C -1.332 173.947 175.328 -0.081 0.000 1.160 76 H CA -0.408 55.620 56.048 -0.034 0.000 1.218 76 H CB 1.194 30.921 29.762 -0.060 0.000 1.566 76 H HN 0.445 nan 8.280 nan 0.000 0.522 77 Y N 0.080 120.632 120.300 0.419 0.000 2.544 77 Y HA 0.284 4.834 4.550 -0.000 0.000 0.342 77 Y C -0.476 175.429 175.900 0.008 0.000 1.062 77 Y CA -0.515 57.715 58.100 0.217 0.000 1.023 77 Y CB 2.343 40.783 38.460 -0.033 0.000 1.308 77 Y HN 0.466 nan 8.280 nan 0.000 0.457 78 S N 1.460 117.403 115.700 0.405 0.000 2.519 78 S HA 0.401 4.870 4.470 -0.000 0.000 0.309 78 S C -1.675 173.010 174.600 0.142 0.000 1.100 78 S CA -0.620 57.767 58.200 0.313 0.000 1.059 78 S CB 0.718 64.260 63.200 0.570 0.000 1.008 78 S HN 0.696 nan 8.310 nan 0.000 0.478 79 H N 1.480 120.508 119.070 -0.070 0.000 2.600 79 H HA 0.652 5.208 4.556 -0.000 0.000 0.357 79 H C -1.404 173.783 175.328 -0.234 0.000 1.106 79 H CA -0.829 55.131 56.048 -0.147 0.000 1.193 79 H CB 1.067 30.711 29.762 -0.197 0.000 1.594 79 H HN 0.387 nan 8.280 nan 0.000 0.526 80 V N 4.638 124.669 119.914 0.196 0.000 2.266 80 V HA 0.030 4.150 4.120 -0.000 0.000 0.271 80 V C -0.267 175.934 176.094 0.179 0.000 1.032 80 V CA -0.768 61.484 62.300 -0.080 0.000 0.806 80 V CB 0.529 32.213 31.823 -0.231 0.000 1.052 80 V HN 0.805 nan 8.190 nan 0.000 0.449 81 D N 3.407 123.858 120.400 0.084 0.000 2.434 81 D HA 0.066 4.706 4.640 -0.000 0.000 0.252 81 D C 0.227 176.586 176.300 0.098 0.000 1.185 81 D CA 0.202 54.232 54.000 0.051 0.000 0.886 81 D CB 0.599 41.368 40.800 -0.050 0.000 1.148 81 D HN 0.519 nan 8.370 nan 0.000 0.483 82 C N 5.833 125.204 119.300 0.118 0.000 2.520 82 C HA 0.315 4.775 4.460 -0.000 0.000 0.376 82 C C -0.403 174.646 174.990 0.099 0.000 1.268 82 C CA -1.094 58.001 59.018 0.130 0.000 2.414 82 C CB 1.157 28.996 27.740 0.164 0.000 2.521 82 C HN 0.689 nan 8.230 nan 0.000 0.618 83 P HA 0.008 nan 4.420 nan 0.000 0.223 83 P C 0.743 178.111 177.300 0.113 0.000 1.151 83 P CA 1.515 64.650 63.100 0.059 0.000 0.787 83 P CB -0.039 31.712 31.700 0.084 0.000 0.788 84 G N 0.884 109.788 108.800 0.174 0.000 2.334 84 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.279 84 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.279 84 G C -0.430 174.485 174.900 0.024 0.000 0.918 84 G CA 0.782 45.893 45.100 0.019 0.000 1.314 84 G HN 0.723 nan 8.290 nan 0.000 0.463 85 H N -0.693 118.458 119.070 0.135 0.000 3.139 85 H HA 0.594 5.150 4.556 -0.000 0.000 0.325 85 H C 0.226 175.697 175.328 0.238 0.000 1.146 85 H CA 0.483 56.610 56.048 0.131 0.000 1.351 85 H CB 0.572 30.479 29.762 0.242 0.000 2.005 85 H HN 0.958 nan 8.280 nan 0.000 0.517 86 A N 2.653 125.275 122.820 -0.331 0.000 2.504 86 A HA 0.307 4.627 4.320 -0.000 0.000 0.242 86 A C 0.581 177.944 177.584 -0.369 0.000 1.100 86 A CA 1.187 53.065 52.037 -0.266 0.000 0.786 86 A CB -0.385 18.427 19.000 -0.313 0.000 1.050 86 A HN 1.036 nan 8.150 nan 0.000 0.512 87 D N -2.364 117.863 120.400 -0.288 0.000 3.507 87 D HA -0.260 4.380 4.640 -0.000 0.000 0.208 87 D C 0.604 176.697 176.300 -0.346 0.000 1.223 87 D CA 2.727 56.489 54.000 -0.396 0.000 2.248 87 D CB -1.423 38.969 40.800 -0.680 0.000 1.247 87 D HN 0.599 nan 8.370 nan 0.000 0.475 88 Y N 0.920 121.255 120.300 0.058 0.000 2.546 88 Y HA 0.343 4.893 4.550 -0.000 0.000 0.287 88 Y C 2.213 178.160 175.900 0.077 0.000 1.158 88 Y CA 0.201 58.354 58.100 0.088 0.000 1.307 88 Y CB -0.393 38.145 38.460 0.130 0.000 1.036 88 Y HN 0.242 nan 8.280 nan 0.000 0.532 89 I N 0.520 121.164 120.570 0.123 0.000 2.113 89 I HA -0.468 3.702 4.170 -0.000 0.000 0.242 89 I C 2.189 178.337 176.117 0.052 0.000 1.057 89 I CA 1.782 63.106 61.300 0.042 0.000 1.314 89 I CB -0.447 37.510 38.000 -0.072 0.000 1.022 89 I HN 0.202 nan 8.210 nan 0.000 0.408 90 K N 0.186 120.626 120.400 0.066 0.000 2.189 90 K HA -0.252 4.068 4.320 -0.000 0.000 0.207 90 K C 1.341 178.028 176.600 0.145 0.000 1.046 90 K CA 1.930 58.293 56.287 0.127 0.000 0.928 90 K CB -0.344 32.241 32.500 0.142 0.000 0.720 90 K HN 0.305 nan 8.250 nan 0.000 0.458 91 N N -0.644 118.143 118.700 0.145 0.000 2.205 91 N HA 0.112 4.852 4.740 -0.000 0.000 0.201 91 N C 1.019 176.613 175.510 0.140 0.000 1.128 91 N CA -0.056 53.080 53.050 0.143 0.000 0.867 91 N CB 0.428 39.004 38.487 0.149 0.000 0.996 91 N HN 0.118 nan 8.380 nan 0.000 0.503 92 M N -0.382 119.297 119.600 0.132 0.000 2.429 92 M HA 0.120 4.600 4.480 -0.000 0.000 0.265 92 M C 1.246 177.592 176.300 0.076 0.000 1.120 92 M CA 1.026 56.399 55.300 0.122 0.000 1.173 92 M CB 0.069 32.750 32.600 0.134 0.000 1.343 92 M HN 0.046 nan 8.290 nan 0.000 0.464 93 I N 0.453 121.047 120.570 0.039 0.000 2.264 93 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 93 I C 1.875 178.028 176.117 0.060 0.000 1.111 93 I CA 1.483 62.791 61.300 0.014 0.000 1.382 93 I CB -0.675 37.306 38.000 -0.032 0.000 1.060 93 I HN 0.305 nan 8.210 nan 0.000 0.418 94 T N 0.333 114.944 114.554 0.095 0.000 3.007 94 T HA -0.065 4.285 4.350 -0.000 0.000 0.270 94 T C 1.760 176.522 174.700 0.102 0.000 1.107 94 T CA 1.200 63.364 62.100 0.106 0.000 1.118 94 T CB -0.324 68.613 68.868 0.115 0.000 0.889 94 T HN 0.605 nan 8.240 nan 0.000 0.506 95 G N 0.504 109.367 108.800 0.104 0.000 2.494 95 G HA2 0.191 4.151 3.960 -0.000 0.000 0.216 95 G HA3 0.191 4.151 3.960 -0.000 0.000 0.216 95 G C 1.683 176.630 174.900 0.077 0.000 1.140 95 G CA 0.605 45.772 45.100 0.112 0.000 0.801 95 G HN 0.528 nan 8.290 nan 0.000 0.536 96 A N 1.300 124.158 122.820 0.063 0.000 1.897 96 A HA 0.424 4.744 4.320 -0.000 0.000 0.215 96 A C 2.743 180.354 177.584 0.045 0.000 1.181 96 A CA 1.777 53.842 52.037 0.047 0.000 0.620 96 A CB -0.694 18.326 19.000 0.033 0.000 0.821 96 A HN 0.653 nan 8.150 nan 0.000 0.443 97 A N -0.993 121.858 122.820 0.052 0.000 2.024 97 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 97 A C 1.804 179.417 177.584 0.047 0.000 1.164 97 A CA 1.505 53.573 52.037 0.052 0.000 0.643 97 A CB -0.356 18.684 19.000 0.066 0.000 0.806 97 A HN 0.580 nan 8.150 nan 0.000 0.451 98 Q N 0.150 119.983 119.800 0.055 0.000 3.041 98 Q HA 0.480 4.820 4.340 -0.000 0.000 0.372 98 Q C -0.798 175.222 176.000 0.033 0.000 1.241 98 Q CA -0.251 55.585 55.803 0.054 0.000 1.010 98 Q CB -0.441 28.350 28.738 0.089 0.000 1.467 98 Q HN 0.749 nan 8.270 nan 0.000 0.462 99 M N -1.858 117.753 119.600 0.020 0.000 2.569 99 M HA 0.355 4.835 4.480 -0.000 0.000 0.287 99 M C -1.433 174.871 176.300 0.006 0.000 1.130 99 M CA -0.767 54.535 55.300 0.003 0.000 0.885 99 M CB 1.098 33.694 32.600 -0.007 0.000 1.759 99 M HN -0.207 nan 8.290 nan 0.000 0.515 100 D N 0.919 121.319 120.400 0.001 0.000 2.367 100 D HA 0.305 4.945 4.640 -0.000 0.000 0.207 100 D C 0.476 176.802 176.300 0.043 0.000 1.034 100 D CA 0.855 54.865 54.000 0.017 0.000 0.861 100 D CB 1.264 42.067 40.800 0.005 0.000 0.943 100 D HN 0.855 nan 8.370 nan 0.000 0.515 101 G N 0.022 108.837 108.800 0.025 0.000 2.755 101 G HA2 0.535 4.495 3.960 -0.000 0.000 0.297 101 G HA3 0.535 4.495 3.960 -0.000 0.000 0.297 101 G C -1.597 173.297 174.900 -0.010 0.000 1.441 101 G CA -0.437 44.680 45.100 0.029 0.000 0.964 101 G HN 0.101 nan 8.290 nan 0.000 0.540 102 A N 1.245 124.060 122.820 -0.010 0.000 2.317 102 A HA 0.796 5.116 4.320 -0.000 0.000 0.327 102 A C -0.137 177.440 177.584 -0.012 0.000 1.178 102 A CA -0.664 51.361 52.037 -0.019 0.000 0.817 102 A CB 0.721 19.711 19.000 -0.016 0.000 1.189 102 A HN 0.692 nan 8.150 nan 0.000 0.489 103 I N 3.294 123.862 120.570 -0.004 0.000 2.523 103 I HA 0.121 4.291 4.170 -0.000 0.000 0.281 103 I C -0.254 175.902 176.117 0.066 0.000 1.126 103 I CA -0.511 60.805 61.300 0.027 0.000 1.187 103 I CB 0.622 38.627 38.000 0.009 0.000 1.478 103 I HN 0.581 nan 8.210 nan 0.000 0.522 104 L N 6.709 127.965 121.223 0.056 0.000 2.698 104 L HA 0.058 4.398 4.340 -0.000 0.000 0.272 104 L C 0.024 176.959 176.870 0.109 0.000 1.154 104 L CA 0.700 55.585 54.840 0.075 0.000 0.964 104 L CB 0.171 42.255 42.059 0.041 0.000 1.272 104 L HN 0.195 nan 8.230 nan 0.000 0.483 105 V N 5.821 125.819 119.914 0.141 0.000 2.607 105 V HA 0.562 4.682 4.120 -0.000 0.000 0.289 105 V C 0.114 176.242 176.094 0.056 0.000 1.053 105 V CA -0.526 61.870 62.300 0.160 0.000 0.996 105 V CB 1.497 33.433 31.823 0.188 0.000 0.995 105 V HN 0.541 nan 8.190 nan 0.000 0.476 106 V N 2.290 122.139 119.914 -0.108 0.000 2.932 106 V HA 0.441 4.561 4.120 -0.000 0.000 0.307 106 V C -0.214 175.621 176.094 -0.432 0.000 1.147 106 V CA -0.521 61.502 62.300 -0.462 0.000 0.951 106 V CB 2.250 33.908 31.823 -0.276 0.000 1.031 106 V HN 0.873 nan 8.190 nan 0.000 0.426 107 S N 1.850 117.184 115.700 -0.610 0.000 2.554 107 S HA 0.631 5.101 4.470 -0.000 0.000 0.278 107 S C 1.225 175.711 174.600 -0.190 0.000 1.242 107 S CA 0.255 58.291 58.200 -0.273 0.000 1.051 107 S CB 1.688 64.806 63.200 -0.137 0.000 0.986 107 S HN 1.143 nan 8.310 nan 0.000 0.502 108 A N 4.584 127.326 122.820 -0.130 0.000 1.873 108 A HA 0.147 4.467 4.320 -0.000 0.000 0.215 108 A C 2.292 179.838 177.584 -0.064 0.000 1.186 108 A CA 1.683 53.663 52.037 -0.095 0.000 0.616 108 A CB -1.397 17.559 19.000 -0.073 0.000 0.823 108 A HN 1.205 nan 8.150 nan 0.000 0.442 109 A N -0.682 122.109 122.820 -0.049 0.000 2.015 109 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 109 A C 1.579 179.150 177.584 -0.021 0.000 1.163 109 A CA 1.646 53.666 52.037 -0.028 0.000 0.646 109 A CB -0.269 18.720 19.000 -0.019 0.000 0.806 109 A HN 0.553 nan 8.150 nan 0.000 0.448 110 D N -2.267 118.118 120.400 -0.026 0.000 2.736 110 D HA 0.433 5.073 4.640 -0.000 0.000 0.251 110 D C 1.445 177.731 176.300 -0.022 0.000 1.348 110 D CA 1.206 55.206 54.000 -0.000 0.000 1.160 110 D CB -0.290 40.557 40.800 0.079 0.000 0.928 110 D HN 0.447 nan 8.370 nan 0.000 0.228 111 G N 0.830 109.606 108.800 -0.040 0.000 2.344 111 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.215 111 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.215 111 G C -2.457 172.457 174.900 0.022 0.000 1.293 111 G CA -0.243 44.824 45.100 -0.055 0.000 1.305 111 G HN 0.359 nan 8.290 nan 0.000 0.484 112 P HA 0.621 nan 4.420 nan 0.000 0.275 112 P C -0.828 176.487 177.300 0.026 0.000 1.227 112 P CA 0.415 63.542 63.100 0.046 0.000 0.781 112 P CB 1.596 33.314 31.700 0.030 0.000 0.906 113 M N 3.819 123.429 119.600 0.017 0.000 2.471 113 M HA 0.307 4.787 4.480 -0.000 0.000 0.284 113 M C -2.153 174.161 176.300 0.022 0.000 1.203 113 M CA -2.056 53.164 55.300 -0.134 0.000 0.915 113 M CB 2.197 34.449 32.600 -0.581 0.000 1.734 113 M HN 0.048 nan 8.290 nan 0.000 0.485 114 P HA -0.210 nan 4.420 nan 0.000 0.213 114 P C 0.828 178.246 177.300 0.196 0.000 1.176 114 P CA 1.568 64.760 63.100 0.152 0.000 0.919 114 P CB 0.115 31.903 31.700 0.147 0.000 0.791 115 Q N -1.056 118.922 119.800 0.298 0.000 2.308 115 Q HA -0.134 4.206 4.340 -0.000 0.000 0.209 115 Q C 1.937 177.989 176.000 0.085 0.000 0.985 115 Q CA 1.595 57.423 55.803 0.041 0.000 0.881 115 Q CB -1.244 27.246 28.738 -0.413 0.000 0.917 115 Q HN 0.371 nan 8.270 nan 0.000 0.443 116 T N 0.172 114.817 114.554 0.153 0.000 2.668 116 T HA -0.069 4.281 4.350 -0.000 0.000 0.258 116 T C 1.815 176.564 174.700 0.082 0.000 1.051 116 T CA 0.723 62.899 62.100 0.127 0.000 1.155 116 T CB -0.180 68.779 68.868 0.152 0.000 0.864 116 T HN 0.272 nan 8.240 nan 0.000 0.413 117 R N 0.630 121.168 120.500 0.063 0.000 2.153 117 R HA -0.206 4.134 4.340 -0.000 0.000 0.252 117 R C 2.462 178.752 176.300 -0.016 0.000 1.158 117 R CA 1.746 57.850 56.100 0.007 0.000 0.975 117 R CB -0.176 30.175 30.300 0.084 0.000 0.871 117 R HN 0.404 nan 8.270 nan 0.000 0.450 118 E N -0.455 119.791 120.200 0.077 0.000 2.011 118 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 118 E C 1.091 177.733 176.600 0.069 0.000 0.980 118 E CA 1.165 57.617 56.400 0.087 0.000 0.814 118 E CB -0.053 29.745 29.700 0.163 0.000 0.775 118 E HN 0.322 nan 8.360 nan 0.000 0.454 119 H N -0.475 118.587 119.070 -0.013 0.000 2.602 119 H HA 0.057 4.613 4.556 -0.000 0.000 0.285 119 H C 0.802 176.123 175.328 -0.013 0.000 1.093 119 H CA 0.669 56.716 56.048 -0.001 0.000 1.201 119 H CB -0.225 29.549 29.762 0.020 0.000 1.294 119 H HN 0.216 nan 8.280 nan 0.000 0.633 120 I N -0.971 119.612 120.570 0.022 0.000 3.971 120 I HA -0.063 4.107 4.170 -0.000 0.000 0.303 120 I C 1.745 177.826 176.117 -0.061 0.000 1.233 120 I CA 0.264 61.535 61.300 -0.048 0.000 1.346 120 I CB 0.348 38.253 38.000 -0.158 0.000 1.273 120 I HN 0.216 nan 8.210 nan 0.000 0.448 121 L N -0.537 120.617 121.223 -0.115 0.000 2.240 121 L HA 0.075 4.415 4.340 -0.000 0.000 0.211 121 L C 1.892 178.791 176.870 0.047 0.000 1.106 121 L CA 1.227 56.071 54.840 0.007 0.000 0.793 121 L CB -0.498 41.631 42.059 0.116 0.000 0.927 121 L HN 0.093 nan 8.230 nan 0.000 0.446 122 L N 0.682 121.906 121.223 0.000 0.000 2.551 122 L HA 0.049 4.389 4.340 -0.000 0.000 0.228 122 L C 2.755 179.643 176.870 0.031 0.000 1.153 122 L CA 0.515 55.343 54.840 -0.020 0.000 0.851 122 L CB -0.607 41.395 42.059 -0.096 0.000 0.959 122 L HN 0.431 nan 8.230 nan 0.000 0.451 123 A N 0.115 122.993 122.820 0.096 0.000 2.016 123 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 123 A C 2.374 180.107 177.584 0.248 0.000 1.162 123 A CA 0.956 53.095 52.037 0.169 0.000 0.662 123 A CB -0.170 18.950 19.000 0.199 0.000 0.812 123 A HN 0.289 nan 8.150 nan 0.000 0.450 124 R N -0.287 120.327 120.500 0.190 0.000 2.064 124 R HA -0.024 4.316 4.340 -0.000 0.000 0.221 124 R C 2.262 178.571 176.300 0.016 0.000 1.136 124 R CA 1.394 57.519 56.100 0.041 0.000 0.980 124 R CB -0.483 29.739 30.300 -0.131 0.000 0.876 124 R HN 0.469 nan 8.270 nan 0.000 0.437 125 Q N 0.158 119.968 119.800 0.015 0.000 2.028 125 Q HA -0.150 4.190 4.340 -0.000 0.000 0.213 125 Q C 0.637 176.639 176.000 0.004 0.000 1.017 125 Q CA 1.784 57.587 55.803 0.001 0.000 0.875 125 Q CB -0.888 27.842 28.738 -0.013 0.000 0.962 125 Q HN 0.223 nan 8.270 nan 0.000 0.413 126 V N 1.638 121.561 119.914 0.015 0.000 2.071 126 V HA 0.203 4.323 4.120 -0.000 0.000 0.254 126 V C 1.384 177.499 176.094 0.035 0.000 1.456 126 V CA 0.464 62.777 62.300 0.023 0.000 1.383 126 V CB -0.732 31.105 31.823 0.022 0.000 1.433 126 V HN 0.629 nan 8.190 nan 0.000 0.499 127 G N 3.768 112.583 108.800 0.024 0.000 2.700 127 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.350 127 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.350 127 G C 0.525 175.459 174.900 0.058 0.000 1.250 127 G CA 0.444 45.559 45.100 0.024 0.000 0.978 127 G HN 1.451 nan 8.290 nan 0.000 0.551 128 V N 0.852 120.795 119.914 0.048 0.000 4.697 128 V HA -0.114 4.006 4.120 -0.000 0.000 0.409 128 V C -1.515 174.626 176.094 0.080 0.000 0.683 128 V CA 0.932 63.269 62.300 0.060 0.000 1.630 128 V CB -1.373 30.492 31.823 0.071 0.000 1.964 128 V HN 0.994 nan 8.190 nan 0.000 0.478 129 P HA 0.571 nan 4.420 nan 0.000 0.290 129 P C -0.328 176.945 177.300 -0.045 0.000 1.276 129 P CA -0.023 63.020 63.100 -0.095 0.000 0.808 129 P CB 0.843 32.421 31.700 -0.203 0.000 0.966 130 Y N -0.286 120.020 120.300 0.009 0.000 2.510 130 Y HA -0.214 4.336 4.550 -0.000 0.000 0.021 130 Y C 0.140 175.955 175.900 -0.141 0.000 1.705 130 Y CA -0.044 57.995 58.100 -0.103 0.000 1.417 130 Y CB -1.023 37.261 38.460 -0.293 0.000 2.062 130 Y HN 0.284 nan 8.280 nan 0.000 0.254 131 I N 1.673 122.301 120.570 0.096 0.000 2.649 131 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 131 I C -1.245 174.946 176.117 0.123 0.000 1.222 131 I CA -0.921 60.371 61.300 -0.013 0.000 1.046 131 I CB 1.959 39.784 38.000 -0.292 0.000 1.272 131 I HN 0.266 nan 8.210 nan 0.000 0.425 132 V N 6.721 126.705 119.914 0.117 0.000 2.294 132 V HA 0.264 4.384 4.120 -0.000 0.000 0.272 132 V C 0.245 176.380 176.094 0.068 0.000 1.027 132 V CA -0.655 61.704 62.300 0.099 0.000 0.823 132 V CB 1.466 33.360 31.823 0.118 0.000 1.030 132 V HN 0.418 nan 8.190 nan 0.000 0.457 133 V N 5.526 125.466 119.914 0.043 0.000 2.637 133 V HA 0.227 4.347 4.120 -0.000 0.000 0.296 133 V C -0.230 175.929 176.094 0.107 0.000 1.046 133 V CA 0.001 62.333 62.300 0.054 0.000 1.066 133 V CB 0.917 32.744 31.823 0.007 0.000 0.968 133 V HN 0.718 nan 8.190 nan 0.000 0.483 134 F N 5.952 125.886 119.950 -0.026 0.000 2.434 134 F HA 0.486 5.013 4.527 -0.000 0.000 0.367 134 F C 0.142 175.920 175.800 -0.038 0.000 1.093 134 F CA -0.863 57.121 58.000 -0.026 0.000 1.085 134 F CB 1.238 40.227 39.000 -0.017 0.000 1.322 134 F HN 0.490 nan 8.300 nan 0.000 0.452 135 M N 6.013 125.300 119.600 -0.523 0.000 2.760 135 M HA 0.079 4.559 4.480 -0.000 0.000 0.314 135 M C -0.349 175.520 176.300 -0.717 0.000 1.582 135 M CA 0.250 55.273 55.300 -0.460 0.000 1.484 135 M CB -0.514 31.900 32.600 -0.310 0.000 1.621 135 M HN 0.738 nan 8.290 nan 0.000 0.470 136 N N 3.140 121.555 118.700 -0.476 0.000 2.405 136 N HA 0.259 4.999 4.740 -0.000 0.000 0.269 136 N C -0.141 175.293 175.510 -0.126 0.000 1.249 136 N CA 0.161 53.082 53.050 -0.216 0.000 0.974 136 N CB 0.721 39.375 38.487 0.279 0.000 1.204 136 N HN 0.611 nan 8.380 nan 0.000 0.565 137 K N -1.412 118.963 120.400 -0.042 0.000 3.472 137 K HA -0.199 4.121 4.320 -0.000 0.000 0.315 137 K C 1.161 177.716 176.600 -0.075 0.000 1.320 137 K CA 0.798 57.048 56.287 -0.062 0.000 0.962 137 K CB -2.186 30.280 32.500 -0.058 0.000 1.251 137 K HN 0.367 nan 8.250 nan 0.000 0.443 138 V N 0.454 120.317 119.914 -0.085 0.000 2.280 138 V HA -0.285 3.835 4.120 -0.000 0.000 0.258 138 V C 1.250 177.360 176.094 0.027 0.000 1.081 138 V CA 2.429 64.703 62.300 -0.044 0.000 1.070 138 V CB -0.549 31.276 31.823 0.003 0.000 0.666 138 V HN 0.411 nan 8.190 nan 0.000 0.450 139 D N 0.857 121.259 120.400 0.002 0.000 2.455 139 D HA 0.345 4.985 4.640 -0.000 0.000 0.234 139 D C -0.260 176.000 176.300 -0.066 0.000 1.224 139 D CA 0.290 54.265 54.000 -0.042 0.000 0.999 139 D CB -0.184 40.364 40.800 -0.421 0.000 1.072 139 D HN 0.073 nan 8.370 nan 0.000 0.514 140 M N 2.622 122.211 119.600 -0.018 0.000 2.366 140 M HA 0.089 4.569 4.480 -0.000 0.000 0.287 140 M C -0.889 175.405 176.300 -0.010 0.000 1.083 140 M CA -0.952 54.332 55.300 -0.026 0.000 0.934 140 M CB 1.478 34.055 32.600 -0.039 0.000 1.852 140 M HN 0.214 nan 8.290 nan 0.000 0.502 141 V N 1.195 121.105 119.914 -0.007 0.000 4.451 141 V HA -0.203 3.917 4.120 -0.000 0.000 0.475 141 V C -0.154 175.941 176.094 0.002 0.000 0.684 141 V CA 0.735 63.033 62.300 -0.002 0.000 1.843 141 V CB -1.253 30.566 31.823 -0.007 0.000 2.191 141 V HN 1.025 nan 8.190 nan 0.000 0.499 142 D N 3.454 123.860 120.400 0.009 0.000 2.399 142 D HA 0.550 5.190 4.640 -0.000 0.000 0.241 142 D C -0.302 176.000 176.300 0.003 0.000 1.133 142 D CA 0.867 54.873 54.000 0.010 0.000 0.890 142 D CB 1.351 42.160 40.800 0.016 0.000 1.201 142 D HN 1.129 nan 8.370 nan 0.000 0.432 143 D N 1.378 121.778 120.400 0.000 0.000 2.734 143 D HA 0.207 4.847 4.640 -0.000 0.000 0.224 143 D C -2.367 173.929 176.300 -0.006 0.000 1.222 143 D CA -0.975 53.023 54.000 -0.004 0.000 0.761 143 D CB 1.409 42.205 40.800 -0.006 0.000 1.569 143 D HN 0.126 nan 8.370 nan 0.000 0.477 144 P HA -0.044 nan 4.420 nan 0.000 0.208 144 P C 0.985 178.279 177.300 -0.010 0.000 1.200 144 P CA 0.798 63.894 63.100 -0.008 0.000 0.924 144 P CB 0.264 31.960 31.700 -0.006 0.000 0.774 145 E N -0.814 119.381 120.200 -0.009 0.000 1.963 145 E HA -0.246 4.104 4.350 -0.000 0.000 0.215 145 E C 1.824 178.416 176.600 -0.014 0.000 0.993 145 E CA 1.211 57.605 56.400 -0.010 0.000 0.880 145 E CB -0.958 28.738 29.700 -0.007 0.000 0.811 145 E HN -0.139 nan 8.360 nan 0.000 0.539 146 L N 0.550 121.765 121.223 -0.014 0.000 2.402 146 L HA -0.372 3.968 4.340 -0.000 0.000 0.240 146 L C 2.221 179.075 176.870 -0.027 0.000 1.135 146 L CA 2.194 57.023 54.840 -0.019 0.000 0.830 146 L CB -1.101 40.947 42.059 -0.018 0.000 0.988 146 L HN 0.380 nan 8.230 nan 0.000 0.428 147 L N -1.044 120.163 121.223 -0.027 0.000 1.997 147 L HA -0.283 4.057 4.340 -0.000 0.000 0.216 147 L C 2.273 179.121 176.870 -0.037 0.000 1.074 147 L CA 2.579 57.398 54.840 -0.036 0.000 0.763 147 L CB -1.668 40.374 42.059 -0.028 0.000 0.890 147 L HN 0.550 nan 8.230 nan 0.000 0.434 148 D N -0.857 119.527 120.400 -0.027 0.000 2.354 148 D HA -0.019 4.621 4.640 -0.000 0.000 0.209 148 D C 2.113 178.401 176.300 -0.019 0.000 1.015 148 D CA 0.189 54.174 54.000 -0.024 0.000 0.867 148 D CB 0.643 41.431 40.800 -0.019 0.000 0.933 148 D HN 0.257 nan 8.370 nan 0.000 0.520 149 L N -0.359 120.853 121.223 -0.018 0.000 2.270 149 L HA 0.018 4.358 4.340 -0.000 0.000 0.210 149 L C 1.806 178.668 176.870 -0.014 0.000 1.104 149 L CA 1.127 55.959 54.840 -0.012 0.000 0.804 149 L CB -0.381 41.672 42.059 -0.010 0.000 0.937 149 L HN -0.243 nan 8.230 nan 0.000 0.450 150 V N 0.156 120.055 119.914 -0.025 0.000 2.407 150 V HA -0.136 3.984 4.120 -0.000 0.000 0.245 150 V C 2.430 178.508 176.094 -0.027 0.000 1.041 150 V CA 1.687 63.969 62.300 -0.031 0.000 1.040 150 V CB -0.631 31.160 31.823 -0.053 0.000 0.671 150 V HN 0.489 nan 8.190 nan 0.000 0.455 151 E N -0.538 119.644 120.200 -0.031 0.000 2.463 151 E HA -0.242 4.107 4.350 -0.000 0.000 0.201 151 E C 1.876 178.472 176.600 -0.006 0.000 1.045 151 E CA 1.063 57.449 56.400 -0.024 0.000 0.872 151 E CB -0.074 29.609 29.700 -0.029 0.000 0.797 151 E HN 0.483 nan 8.360 nan 0.000 0.538 152 M N 0.183 119.782 119.600 -0.002 0.000 2.466 152 M HA -0.008 4.472 4.480 -0.000 0.000 0.265 152 M C 1.204 177.515 176.300 0.019 0.000 1.122 152 M CA 1.398 56.704 55.300 0.009 0.000 1.157 152 M CB 0.522 33.125 32.600 0.006 0.000 1.352 152 M HN -0.134 nan 8.290 nan 0.000 0.464 153 E N -0.957 119.252 120.200 0.015 0.000 2.481 153 E HA -0.009 4.341 4.350 -0.000 0.000 0.195 153 E C 1.493 178.115 176.600 0.037 0.000 1.047 153 E CA 0.216 56.632 56.400 0.027 0.000 0.867 153 E CB 0.303 30.013 29.700 0.018 0.000 0.858 153 E HN 0.338 nan 8.360 nan 0.000 0.513 154 V N 0.641 120.571 119.914 0.027 0.000 2.543 154 V HA -0.084 4.036 4.120 -0.000 0.000 0.232 154 V C 2.007 178.132 176.094 0.051 0.000 1.087 154 V CA 0.744 63.063 62.300 0.032 0.000 1.113 154 V CB -0.373 31.454 31.823 0.006 0.000 0.779 154 V HN 0.068 nan 8.190 nan 0.000 0.495 155 R N 0.700 121.224 120.500 0.040 0.000 2.154 155 R HA -0.233 4.107 4.340 -0.000 0.000 0.248 155 R C 2.021 178.365 176.300 0.074 0.000 1.155 155 R CA 1.834 57.967 56.100 0.054 0.000 0.979 155 R CB -0.511 29.810 30.300 0.036 0.000 0.869 155 R HN 0.622 nan 8.270 nan 0.000 0.452 156 D N 0.509 120.949 120.400 0.067 0.000 2.194 156 D HA -0.119 4.521 4.640 -0.000 0.000 0.204 156 D C 1.536 177.902 176.300 0.111 0.000 0.964 156 D CA 0.695 54.740 54.000 0.074 0.000 0.846 156 D CB 0.244 41.078 40.800 0.056 0.000 0.962 156 D HN 0.114 nan 8.370 nan 0.000 0.490 157 L N 0.504 121.805 121.223 0.129 0.000 2.558 157 L HA 0.183 4.523 4.340 -0.000 0.000 0.225 157 L C 2.027 179.065 176.870 0.279 0.000 1.128 157 L CA 0.453 55.415 54.840 0.202 0.000 0.868 157 L CB -0.047 42.107 42.059 0.158 0.000 1.006 157 L HN 0.017 nan 8.230 nan 0.000 0.454 158 L N -1.287 120.062 121.223 0.211 0.000 2.145 158 L HA 0.003 4.343 4.340 -0.000 0.000 0.201 158 L C 1.997 179.059 176.870 0.319 0.000 1.075 158 L CA 0.500 55.490 54.840 0.249 0.000 0.773 158 L CB -0.488 41.666 42.059 0.159 0.000 0.936 158 L HN 0.214 nan 8.230 nan 0.000 0.451 159 N N 0.070 118.903 118.700 0.221 0.000 2.396 159 N HA -0.193 4.547 4.740 -0.000 0.000 0.180 159 N C 1.748 177.342 175.510 0.139 0.000 1.028 159 N CA 0.738 53.892 53.050 0.174 0.000 0.893 159 N CB 0.021 38.575 38.487 0.111 0.000 0.967 159 N HN 0.396 nan 8.380 nan 0.000 0.440 160 Q N -0.334 119.561 119.800 0.158 0.000 2.368 160 Q HA -0.134 4.206 4.340 -0.000 0.000 0.210 160 Q C -0.097 175.807 176.000 -0.160 0.000 0.982 160 Q CA 1.186 56.998 55.803 0.015 0.000 0.884 160 Q CB 0.104 28.871 28.738 0.050 0.000 0.933 160 Q HN 0.396 nan 8.270 nan 0.000 0.460 161 Y N 0.501 120.841 120.300 0.066 0.000 2.699 161 Y HA 0.238 4.788 4.550 -0.000 0.000 0.282 161 Y C -0.731 175.124 175.900 -0.074 0.000 1.058 161 Y CA -0.657 57.458 58.100 0.026 0.000 1.194 161 Y CB 0.272 38.794 38.460 0.104 0.000 1.193 161 Y HN 0.058 nan 8.280 nan 0.000 0.562 162 E N 0.263 120.484 120.200 0.034 0.000 2.160 162 E HA -0.260 4.090 4.350 -0.000 0.000 0.180 162 E C -0.926 175.618 176.600 -0.093 0.000 1.452 162 E CA 0.614 56.990 56.400 -0.040 0.000 0.683 162 E CB -1.093 28.538 29.700 -0.115 0.000 1.072 162 E HN 0.265 nan 8.360 nan 0.000 0.332 163 F N -0.196 119.807 119.950 0.088 0.000 2.664 163 F HA 0.351 4.878 4.527 -0.000 0.000 0.329 163 F C -1.778 174.075 175.800 0.089 0.000 1.090 163 F CA -2.253 55.795 58.000 0.081 0.000 0.978 163 F CB 1.107 40.165 39.000 0.098 0.000 1.378 163 F HN -0.208 nan 8.300 nan 0.000 0.495 164 P HA 0.063 nan 4.420 nan 0.000 0.262 164 P C 0.824 178.238 177.300 0.190 0.000 1.647 164 P CA 0.452 63.706 63.100 0.257 0.000 0.865 164 P CB -0.677 31.208 31.700 0.309 0.000 1.834 165 G N 0.447 109.362 108.800 0.192 0.000 2.601 165 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.214 165 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.214 165 G C 0.926 175.882 174.900 0.094 0.000 1.132 165 G CA 0.457 45.642 45.100 0.141 0.000 0.761 165 G HN 0.298 nan 8.290 nan 0.000 0.550 166 D N -0.280 120.173 120.400 0.089 0.000 2.482 166 D HA 0.037 4.677 4.640 -0.000 0.000 0.251 166 D C 0.485 176.810 176.300 0.042 0.000 1.073 166 D CA 0.334 54.370 54.000 0.059 0.000 0.892 166 D CB 0.342 41.177 40.800 0.058 0.000 1.202 166 D HN 0.395 nan 8.370 nan 0.000 0.496 167 E N 1.282 121.518 120.200 0.060 0.000 2.989 167 E HA 0.293 4.643 4.350 -0.000 0.000 0.224 167 E C -0.694 175.890 176.600 -0.026 0.000 1.175 167 E CA -0.180 56.237 56.400 0.027 0.000 1.300 167 E CB 1.508 31.251 29.700 0.073 0.000 1.422 167 E HN -0.150 nan 8.360 nan 0.000 0.439 168 V N 1.952 121.832 119.914 -0.057 0.000 2.459 168 V HA 0.296 4.416 4.120 -0.000 0.000 0.295 168 V C -2.088 173.891 176.094 -0.192 0.000 1.029 168 V CA -2.447 59.779 62.300 -0.123 0.000 0.874 168 V CB 1.888 33.698 31.823 -0.021 0.000 0.985 168 V HN 0.258 nan 8.190 nan 0.000 0.438 169 P HA 0.020 nan 4.420 nan 0.000 0.240 169 P C -0.327 176.918 177.300 -0.091 0.000 1.594 169 P CA 0.285 63.243 63.100 -0.237 0.000 1.184 169 P CB -0.390 31.126 31.700 -0.306 0.000 1.915 170 V N 4.171 124.040 119.914 -0.075 0.000 2.405 170 V HA 0.065 4.185 4.120 -0.000 0.000 0.264 170 V C 0.885 176.951 176.094 -0.047 0.000 1.048 170 V CA -0.078 62.190 62.300 -0.053 0.000 0.966 170 V CB -0.109 31.677 31.823 -0.062 0.000 1.015 170 V HN 0.202 nan 8.190 nan 0.000 0.477 171 I N 5.584 126.142 120.570 -0.020 0.000 2.783 171 I HA 0.584 4.754 4.170 -0.000 0.000 0.312 171 I C 0.513 176.522 176.117 -0.179 0.000 0.988 171 I CA -0.354 60.948 61.300 0.003 0.000 1.182 171 I CB 1.201 39.343 38.000 0.237 0.000 1.368 171 I HN 0.491 nan 8.210 nan 0.000 0.511 172 R N 1.986 122.420 120.500 -0.110 0.000 2.533 172 R HA 0.687 5.027 4.340 -0.000 0.000 0.288 172 R C -1.027 175.279 176.300 0.010 0.000 1.039 172 R CA -0.942 55.062 56.100 -0.160 0.000 0.909 172 R CB 2.025 32.269 30.300 -0.093 0.000 1.195 172 R HN 0.886 nan 8.270 nan 0.000 0.438 173 G N 1.452 110.290 108.800 0.064 0.000 2.482 173 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.201 173 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.201 173 G C -0.394 174.794 174.900 0.480 0.000 3.137 173 G CA -0.570 44.791 45.100 0.434 0.000 0.798 173 G HN 0.544 nan 8.290 nan 0.000 0.493 174 S N 0.927 116.801 115.700 0.289 0.000 2.810 174 S HA 0.298 4.768 4.470 -0.000 0.000 0.329 174 S C 1.792 176.495 174.600 0.172 0.000 1.231 174 S CA 1.161 59.433 58.200 0.120 0.000 1.042 174 S CB 0.908 64.014 63.200 -0.157 0.000 0.756 174 S HN 2.011 nan 8.310 nan 0.000 0.504 175 A N 4.790 127.743 122.820 0.222 0.000 2.021 175 A HA 0.116 4.436 4.320 -0.000 0.000 0.216 175 A C 1.914 179.477 177.584 -0.036 0.000 1.163 175 A CA 0.940 53.023 52.037 0.077 0.000 0.676 175 A CB -0.623 18.357 19.000 -0.034 0.000 0.818 175 A HN 1.036 nan 8.150 nan 0.000 0.453 176 L N -0.208 120.983 121.223 -0.053 0.000 1.963 176 L HA -0.215 4.125 4.340 -0.000 0.000 0.220 176 L C 2.114 178.900 176.870 -0.140 0.000 1.076 176 L CA 2.089 56.866 54.840 -0.104 0.000 0.772 176 L CB -0.567 41.431 42.059 -0.102 0.000 0.892 176 L HN 0.283 nan 8.230 nan 0.000 0.435 177 L N -0.029 121.067 121.223 -0.213 0.000 2.127 177 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 177 L C 2.579 179.348 176.870 -0.168 0.000 1.089 177 L CA 1.942 56.603 54.840 -0.297 0.000 0.757 177 L CB -1.513 40.137 42.059 -0.682 0.000 0.899 177 L HN 0.435 nan 8.230 nan 0.000 0.434 178 A N -1.318 121.465 122.820 -0.063 0.000 2.072 178 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 178 A C 2.043 179.632 177.584 0.007 0.000 1.156 178 A CA 0.483 52.558 52.037 0.063 0.000 0.701 178 A CB -0.476 18.619 19.000 0.158 0.000 0.816 178 A HN 0.308 nan 8.150 nan 0.000 0.458 179 L N -0.462 120.713 121.223 -0.081 0.000 2.610 179 L HA 0.124 4.464 4.340 -0.000 0.000 0.232 179 L C 1.214 177.985 176.870 -0.164 0.000 1.149 179 L CA 1.480 56.207 54.840 -0.188 0.000 0.872 179 L CB -0.300 41.591 42.059 -0.280 0.000 0.992 179 L HN 0.439 nan 8.230 nan 0.000 0.447 180 E N -2.039 118.132 120.200 -0.049 0.000 2.490 180 E HA -0.020 4.330 4.350 -0.000 0.000 0.209 180 E C 1.513 178.168 176.600 0.092 0.000 0.971 180 E CA -0.015 56.404 56.400 0.032 0.000 0.988 180 E CB 0.423 30.123 29.700 0.000 0.000 1.029 180 E HN 0.327 nan 8.360 nan 0.000 0.496 181 Q N 0.187 120.037 119.800 0.084 0.000 2.212 181 Q HA 0.060 4.400 4.340 -0.000 0.000 0.199 181 Q C 1.692 177.780 176.000 0.147 0.000 0.950 181 Q CA 1.059 56.931 55.803 0.114 0.000 0.863 181 Q CB 0.332 29.150 28.738 0.135 0.000 0.944 181 Q HN 0.114 nan 8.270 nan 0.000 0.465 182 M N -1.225 118.479 119.600 0.174 0.000 2.506 182 M HA -0.011 4.469 4.480 -0.000 0.000 0.260 182 M C 1.538 178.033 176.300 0.325 0.000 1.104 182 M CA 1.126 56.567 55.300 0.236 0.000 1.112 182 M CB -0.724 32.055 32.600 0.298 0.000 1.401 182 M HN 0.399 nan 8.290 nan 0.000 0.473 183 H N -0.054 119.124 119.070 0.180 0.000 2.428 183 H HA 0.001 4.557 4.556 -0.000 0.000 0.296 183 H C 2.026 177.420 175.328 0.109 0.000 1.062 183 H CA 0.653 56.813 56.048 0.187 0.000 1.350 183 H CB 0.515 30.337 29.762 0.099 0.000 1.403 183 H HN 0.291 nan 8.280 nan 0.000 0.533 184 R N 0.633 121.223 120.500 0.150 0.000 2.096 184 R HA -0.130 4.210 4.340 -0.000 0.000 0.229 184 R C 0.199 176.530 176.300 0.052 0.000 1.134 184 R CA 1.670 57.802 56.100 0.053 0.000 0.917 184 R CB -0.257 30.077 30.300 0.057 0.000 0.832 184 R HN 0.424 nan 8.270 nan 0.000 0.430 185 N N 0.675 119.421 118.700 0.077 0.000 2.483 185 N HA 0.168 4.908 4.740 -0.000 0.000 0.267 185 N C -2.521 173.037 175.510 0.080 0.000 0.998 185 N CA -1.782 51.306 53.050 0.062 0.000 0.918 185 N CB 1.541 40.057 38.487 0.049 0.000 1.215 185 N HN -0.070 nan 8.380 nan 0.000 0.500 186 P HA -0.039 nan 4.420 nan 0.000 0.301 186 P C -0.994 176.322 177.300 0.027 0.000 1.560 186 P CA 0.494 63.617 63.100 0.038 0.000 0.784 186 P CB -0.295 31.405 31.700 -0.000 0.000 1.715 187 K N -0.336 120.095 120.400 0.052 0.000 2.606 187 K HA 0.408 4.728 4.320 -0.000 0.000 0.259 187 K C -1.126 175.515 176.600 0.070 0.000 1.001 187 K CA -0.368 55.950 56.287 0.052 0.000 0.881 187 K CB 1.933 34.453 32.500 0.034 0.000 1.288 187 K HN -0.226 nan 8.250 nan 0.000 0.452 188 T N 1.527 116.136 114.554 0.092 0.000 3.395 188 T HA 0.222 4.572 4.350 -0.000 0.000 0.330 188 T C -0.613 174.163 174.700 0.128 0.000 1.076 188 T CA -0.782 61.379 62.100 0.102 0.000 1.070 188 T CB 1.752 70.696 68.868 0.127 0.000 1.119 188 T HN 0.518 nan 8.240 nan 0.000 0.462 189 R N 1.692 122.229 120.500 0.063 0.000 2.743 189 R HA 0.357 4.697 4.340 -0.000 0.000 0.167 189 R C 0.377 176.608 176.300 -0.115 0.000 0.873 189 R CA -0.323 55.783 56.100 0.010 0.000 1.366 189 R CB 0.175 30.447 30.300 -0.046 0.000 0.940 189 R HN 0.316 nan 8.270 nan 0.000 0.545 190 R N 1.137 121.423 120.500 -0.356 0.000 3.400 190 R HA 0.074 4.414 4.340 -0.000 0.000 0.194 190 R C -0.111 175.915 176.300 -0.456 0.000 1.676 190 R CA 0.974 56.665 56.100 -0.683 0.000 1.105 190 R CB -1.764 28.200 30.300 -0.561 0.000 1.241 190 R HN 0.806 nan 8.270 nan 0.000 0.643 191 G N 1.984 110.596 108.800 -0.313 0.000 2.387 191 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.270 191 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.270 191 G C 0.415 175.286 174.900 -0.049 0.000 0.957 191 G CA 0.039 45.086 45.100 -0.090 0.000 1.352 191 G HN 0.643 nan 8.290 nan 0.000 0.457 192 E N -0.001 120.205 120.200 0.011 0.000 2.472 192 E HA 0.046 4.396 4.350 -0.000 0.000 0.196 192 E C 1.294 177.916 176.600 0.037 0.000 1.033 192 E CA -0.009 56.397 56.400 0.010 0.000 0.886 192 E CB 0.471 30.185 29.700 0.024 0.000 0.944 192 E HN 0.462 nan 8.360 nan 0.000 0.492 193 N N 1.019 119.765 118.700 0.076 0.000 2.696 193 N HA 0.004 4.744 4.740 -0.000 0.000 0.308 193 N C -0.486 175.076 175.510 0.087 0.000 1.915 193 N CA 0.229 53.352 53.050 0.120 0.000 0.906 193 N CB 0.229 38.834 38.487 0.197 0.000 1.284 193 N HN 0.074 nan 8.380 nan 0.000 0.488 194 E N -0.347 119.804 120.200 -0.082 0.000 4.000 194 E HA -0.336 4.014 4.350 -0.000 0.000 0.226 194 E C 0.359 176.824 176.600 -0.225 0.000 1.270 194 E CA 2.719 58.934 56.400 -0.308 0.000 2.118 194 E CB -1.246 28.022 29.700 -0.720 0.000 1.850 194 E HN 0.545 nan 8.360 nan 0.000 0.280 195 W N 0.946 122.291 121.300 0.075 0.000 2.364 195 W HA -0.021 4.639 4.660 -0.000 0.000 0.281 195 W C 2.346 178.944 176.519 0.132 0.000 1.219 195 W CA 0.929 58.332 57.345 0.097 0.000 1.220 195 W CB -0.810 28.696 29.460 0.077 0.000 1.127 195 W HN 0.047 nan 8.180 nan 0.000 0.556 196 V N 0.823 120.931 119.914 0.325 0.000 2.343 196 V HA -0.326 3.794 4.120 -0.000 0.000 0.247 196 V C 1.882 178.243 176.094 0.444 0.000 1.051 196 V CA 2.516 65.008 62.300 0.320 0.000 1.036 196 V CB -0.805 31.173 31.823 0.259 0.000 0.654 196 V HN 0.127 nan 8.190 nan 0.000 0.451 197 D N -0.506 120.066 120.400 0.286 0.000 2.277 197 D HA -0.093 4.547 4.640 -0.000 0.000 0.208 197 D C 2.022 178.539 176.300 0.363 0.000 0.962 197 D CA 0.706 54.874 54.000 0.281 0.000 0.865 197 D CB -0.045 40.748 40.800 -0.012 0.000 0.939 197 D HN 0.349 nan 8.370 nan 0.000 0.510 198 K N -0.071 120.483 120.400 0.257 0.000 2.486 198 K HA 0.040 4.360 4.320 -0.000 0.000 0.194 198 K C 0.959 177.722 176.600 0.272 0.000 1.033 198 K CA 0.138 56.564 56.287 0.232 0.000 1.004 198 K CB 0.510 33.134 32.500 0.206 0.000 0.798 198 K HN 0.275 nan 8.250 nan 0.000 0.495 199 I N -0.801 119.908 120.570 0.231 0.000 3.419 199 I HA -0.059 4.111 4.170 -0.000 0.000 0.286 199 I C 0.881 176.866 176.117 -0.220 0.000 1.268 199 I CA 0.759 62.031 61.300 -0.047 0.000 1.414 199 I CB -0.594 37.303 38.000 -0.172 0.000 1.074 199 I HN 0.243 nan 8.210 nan 0.000 0.457 200 W N 1.103 122.396 121.300 -0.012 0.000 2.996 200 W HA 0.135 4.795 4.660 -0.000 0.000 0.270 200 W C 2.138 178.653 176.519 -0.007 0.000 1.280 200 W CA -0.199 57.130 57.345 -0.027 0.000 1.549 200 W CB -0.422 29.027 29.460 -0.018 0.000 1.079 200 W HN 0.085 nan 8.180 nan 0.000 0.629 201 E N 0.292 120.621 120.200 0.216 0.000 2.267 201 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 201 E C 1.726 178.388 176.600 0.104 0.000 0.998 201 E CA 0.931 57.420 56.400 0.148 0.000 0.830 201 E CB -0.086 29.706 29.700 0.153 0.000 0.751 201 E HN 0.207 nan 8.360 nan 0.000 0.491 202 L N -0.447 120.808 121.223 0.055 0.000 2.269 202 L HA 0.063 4.403 4.340 -0.000 0.000 0.200 202 L C 1.721 178.547 176.870 -0.073 0.000 1.069 202 L CA 0.840 55.665 54.840 -0.025 0.000 0.804 202 L CB 0.001 41.970 42.059 -0.150 0.000 0.987 202 L HN 0.034 nan 8.230 nan 0.000 0.468 203 L N -0.118 121.021 121.223 -0.141 0.000 2.700 203 L HA -0.109 4.231 4.340 -0.000 0.000 0.240 203 L C 0.887 177.793 176.870 0.060 0.000 1.162 203 L CA 0.592 55.334 54.840 -0.165 0.000 0.874 203 L CB -0.313 41.464 42.059 -0.471 0.000 1.001 203 L HN 0.347 nan 8.230 nan 0.000 0.447 204 D N -2.040 118.416 120.400 0.094 0.000 2.331 204 D HA 0.147 4.787 4.640 -0.000 0.000 0.300 204 D C 1.940 178.293 176.300 0.088 0.000 1.090 204 D CA 0.754 54.827 54.000 0.123 0.000 0.905 204 D CB 0.271 41.158 40.800 0.145 0.000 1.600 204 D HN 0.135 nan 8.370 nan 0.000 0.511 205 A N 0.757 123.617 122.820 0.067 0.000 2.067 205 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 205 A C 2.076 179.719 177.584 0.098 0.000 1.156 205 A CA 0.671 52.738 52.037 0.050 0.000 0.683 205 A CB -0.331 18.677 19.000 0.014 0.000 0.808 205 A HN 0.149 nan 8.150 nan 0.000 0.455 206 I N -1.097 119.524 120.570 0.086 0.000 2.731 206 I HA -0.075 4.095 4.170 -0.000 0.000 0.260 206 I C 1.650 177.857 176.117 0.150 0.000 1.138 206 I CA 0.513 61.879 61.300 0.111 0.000 1.461 206 I CB -0.269 37.744 38.000 0.020 0.000 1.128 206 I HN 0.204 nan 8.210 nan 0.000 0.438 207 D N 1.206 121.700 120.400 0.157 0.000 2.087 207 D HA -0.112 4.528 4.640 -0.000 0.000 0.192 207 D C 0.936 177.307 176.300 0.118 0.000 0.993 207 D CA 1.237 55.347 54.000 0.183 0.000 0.828 207 D CB -0.080 40.819 40.800 0.165 0.000 0.968 207 D HN 0.275 nan 8.370 nan 0.000 0.448 208 E N -0.518 119.746 120.200 0.106 0.000 2.421 208 E HA 0.011 4.361 4.350 -0.000 0.000 0.253 208 E C 0.690 177.368 176.600 0.130 0.000 1.277 208 E CA -0.502 55.952 56.400 0.089 0.000 0.968 208 E CB 0.602 30.352 29.700 0.085 0.000 1.040 208 E HN 0.198 nan 8.360 nan 0.000 0.512 209 Y N -0.800 119.440 120.300 -0.100 0.000 2.740 209 Y HA -0.340 4.210 4.550 -0.000 0.000 0.482 209 Y C 0.150 175.810 175.900 -0.400 0.000 1.156 209 Y CA 1.747 59.725 58.100 -0.204 0.000 2.839 209 Y CB -1.314 37.060 38.460 -0.144 0.000 0.979 209 Y HN 0.500 nan 8.280 nan 0.000 0.561 210 I N 4.845 125.174 120.570 -0.401 0.000 2.282 210 I HA 0.221 4.391 4.170 -0.000 0.000 0.290 210 I C -1.671 174.318 176.117 -0.214 0.000 1.090 210 I CA -1.597 59.410 61.300 -0.489 0.000 1.231 210 I CB 0.612 38.506 38.000 -0.177 0.000 1.434 210 I HN 0.089 nan 8.210 nan 0.000 0.487 211 P HA 0.100 nan 4.420 nan 0.000 0.291 211 P C -0.329 176.956 177.300 -0.024 0.000 1.287 211 P CA -0.094 62.960 63.100 -0.077 0.000 0.767 211 P CB 0.553 32.226 31.700 -0.044 0.000 1.290 212 T N 1.090 115.635 114.554 -0.015 0.000 2.815 212 T HA 0.420 4.770 4.350 -0.000 0.000 0.289 212 T C -1.784 172.912 174.700 -0.007 0.000 1.000 212 T CA -0.753 61.333 62.100 -0.023 0.000 0.958 212 T CB 0.840 69.682 68.868 -0.043 0.000 0.944 212 T HN 0.423 nan 8.240 nan 0.000 0.442 213 P HA 0.488 nan 4.420 nan 0.000 0.289 213 P C -0.330 176.965 177.300 -0.008 0.000 1.299 213 P CA -0.547 62.554 63.100 0.002 0.000 0.766 213 P CB 0.716 32.420 31.700 0.006 0.000 1.226 214 V N 0.008 119.919 119.914 -0.005 0.000 2.863 214 V HA 0.370 4.490 4.120 -0.000 0.000 0.307 214 V C 0.110 176.199 176.094 -0.008 0.000 1.061 214 V CA -0.508 61.789 62.300 -0.005 0.000 1.024 214 V CB 0.944 32.767 31.823 -0.001 0.000 1.049 214 V HN 0.528 nan 8.190 nan 0.000 0.471 215 R N 1.995 122.492 120.500 -0.006 0.000 2.647 215 R HA 0.254 4.594 4.340 -0.000 0.000 0.295 215 R C -0.722 175.578 176.300 -0.000 0.000 1.267 215 R CA -0.105 55.991 56.100 -0.006 0.000 1.386 215 R CB -0.037 30.259 30.300 -0.007 0.000 1.309 215 R HN 1.010 nan 8.270 nan 0.000 0.692 216 D N -0.533 119.868 120.400 0.000 0.000 7.612 216 D HA -0.188 4.452 4.640 -0.000 0.000 0.171 216 D C 1.244 177.551 176.300 0.012 0.000 1.375 216 D CA 0.463 54.466 54.000 0.005 0.000 0.857 216 D CB 0.378 41.180 40.800 0.002 0.000 1.630 216 D HN 0.218 nan 8.370 nan 0.000 0.943 217 V N -0.968 118.958 119.914 0.020 0.000 3.129 217 V HA -0.083 4.036 4.120 -0.000 0.000 0.259 217 V C 1.312 177.428 176.094 0.037 0.000 1.116 217 V CA 1.153 63.474 62.300 0.035 0.000 1.127 217 V CB -0.196 31.650 31.823 0.038 0.000 0.742 217 V HN 0.293 nan 8.190 nan 0.000 0.474 218 D N 0.378 120.794 120.400 0.026 0.000 2.378 218 D HA 0.015 4.655 4.640 -0.000 0.000 0.222 218 D C 1.182 177.498 176.300 0.027 0.000 0.980 218 D CA 0.690 54.705 54.000 0.025 0.000 0.907 218 D CB 0.073 40.883 40.800 0.018 0.000 0.899 218 D HN 0.388 nan 8.370 nan 0.000 0.527 219 K N 0.293 120.710 120.400 0.028 0.000 2.179 219 K HA 0.297 4.617 4.320 -0.000 0.000 0.238 219 K C -1.703 174.927 176.600 0.049 0.000 1.033 219 K CA -1.684 54.620 56.287 0.028 0.000 0.926 219 K CB -0.274 32.234 32.500 0.014 0.000 1.151 219 K HN -0.172 nan 8.250 nan 0.000 0.492 220 P HA 0.011 nan 4.420 nan 0.000 0.309 220 P C -0.392 177.004 177.300 0.160 0.000 1.423 220 P CA 0.327 63.480 63.100 0.090 0.000 0.814 220 P CB 0.161 31.903 31.700 0.070 0.000 1.900 221 F N -1.465 118.486 119.950 0.000 0.000 2.620 221 F HA 0.732 5.259 4.527 -0.000 0.000 0.320 221 F C -1.429 174.371 175.800 -0.001 0.000 1.069 221 F CA -0.915 57.085 58.000 -0.000 0.000 0.953 221 F CB 1.465 40.463 39.000 -0.003 0.000 1.322 221 F HN 0.091 nan 8.300 nan 0.000 0.479 222 L N 3.901 124.387 121.223 -1.229 0.000 3.150 222 L HA 0.577 4.917 4.340 -0.000 0.000 0.231 222 L C -2.157 174.242 176.870 -0.785 0.000 0.994 222 L CA -0.448 53.977 54.840 -0.693 0.000 1.050 222 L CB 1.700 43.581 42.059 -0.297 0.000 1.506 222 L HN 0.858 nan 8.230 nan 0.000 0.420 223 M N 3.311 122.671 119.600 -0.400 0.000 2.497 223 M HA 0.518 4.998 4.480 -0.000 0.000 0.189 223 M C -2.985 173.253 176.300 -0.105 0.000 0.906 223 M CA -0.560 54.594 55.300 -0.243 0.000 0.749 223 M CB 1.176 33.624 32.600 -0.253 0.000 2.521 223 M HN 0.267 nan 8.290 nan 0.000 0.410 224 P HA 0.130 nan 4.420 nan 0.000 0.268 224 P C -0.661 176.624 177.300 -0.025 0.000 1.208 224 P CA -0.174 62.909 63.100 -0.028 0.000 0.777 224 P CB 0.848 32.548 31.700 0.000 0.000 0.875 225 V N 3.485 123.383 119.914 -0.026 0.000 2.383 225 V HA 0.064 4.184 4.120 -0.000 0.000 0.275 225 V C 1.503 177.573 176.094 -0.040 0.000 1.036 225 V CA 0.199 62.473 62.300 -0.043 0.000 0.889 225 V CB 0.596 32.391 31.823 -0.047 0.000 0.985 225 V HN 0.569 nan 8.190 nan 0.000 0.459 226 E N 2.687 122.848 120.200 -0.064 0.000 2.075 226 E HA 0.090 4.440 4.350 -0.000 0.000 0.190 226 E C 0.167 176.722 176.600 -0.075 0.000 0.969 226 E CA 0.378 56.747 56.400 -0.052 0.000 0.815 226 E CB 0.479 30.147 29.700 -0.054 0.000 0.776 226 E HN 0.698 nan 8.360 nan 0.000 0.457 227 D N -0.802 119.500 120.400 -0.164 0.000 2.812 227 D HA 0.373 5.013 4.640 -0.000 0.000 0.318 227 D C -1.658 174.480 176.300 -0.271 0.000 1.234 227 D CA -0.675 53.225 54.000 -0.167 0.000 0.989 227 D CB 2.630 43.342 40.800 -0.146 0.000 1.442 227 D HN -0.188 nan 8.370 nan 0.000 0.537 228 V N 1.600 121.391 119.914 -0.206 0.000 2.711 228 V HA 0.479 4.599 4.120 -0.000 0.000 0.304 228 V C -0.552 175.600 176.094 0.097 0.000 1.097 228 V CA -0.755 61.446 62.300 -0.165 0.000 0.906 228 V CB 1.567 33.360 31.823 -0.050 0.000 1.015 228 V HN 0.441 nan 8.190 nan 0.000 0.427 229 F N 1.528 121.467 119.950 -0.018 0.000 2.585 229 F HA 0.863 5.390 4.527 -0.000 0.000 0.350 229 F C 0.584 176.376 175.800 -0.013 0.000 1.074 229 F CA -0.937 57.052 58.000 -0.018 0.000 1.032 229 F CB 2.605 41.591 39.000 -0.024 0.000 1.330 229 F HN 0.532 nan 8.300 nan 0.000 0.495 230 T N -0.213 114.459 114.554 0.196 0.000 2.916 230 T HA 0.747 5.097 4.350 -0.000 0.000 0.305 230 T C -1.212 173.523 174.700 0.059 0.000 1.119 230 T CA -0.745 61.412 62.100 0.094 0.000 1.008 230 T CB 2.118 71.020 68.868 0.058 0.000 1.129 230 T HN 0.415 nan 8.240 nan 0.000 0.480 231 I N -0.074 120.521 120.570 0.043 0.000 3.006 231 I HA 0.349 4.519 4.170 -0.000 0.000 0.306 231 I C -0.136 175.990 176.117 0.015 0.000 1.250 231 I CA -0.916 60.399 61.300 0.025 0.000 0.996 231 I CB 1.690 39.710 38.000 0.033 0.000 1.261 231 I HN 0.663 nan 8.210 nan 0.000 0.442 232 T N 3.401 117.959 114.554 0.007 0.000 2.759 232 T HA 0.346 4.696 4.350 -0.000 0.000 0.273 232 T C 1.120 175.824 174.700 0.006 0.000 0.938 232 T CA 1.463 63.566 62.100 0.004 0.000 1.197 232 T CB -0.214 68.654 68.868 0.000 0.000 0.887 232 T HN 1.158 nan 8.240 nan 0.000 0.540 233 G N 3.970 112.774 108.800 0.006 0.000 2.358 233 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.224 233 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.224 233 G C 1.354 176.258 174.900 0.007 0.000 1.073 233 G CA -0.005 45.098 45.100 0.005 0.000 0.635 233 G HN 0.504 nan 8.290 nan 0.000 0.509 234 R N 0.784 121.291 120.500 0.012 0.000 2.005 234 R HA 0.534 4.874 4.340 -0.000 0.000 0.213 234 R C 1.914 178.225 176.300 0.017 0.000 1.308 234 R CA 2.409 58.517 56.100 0.015 0.000 1.022 234 R CB -1.163 29.150 30.300 0.021 0.000 0.883 234 R HN 1.689 nan 8.270 nan 0.000 0.470 235 G N -0.457 108.359 108.800 0.027 0.000 2.541 235 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.208 235 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.208 235 G C -0.908 174.018 174.900 0.043 0.000 1.191 235 G CA -0.165 44.953 45.100 0.029 0.000 1.217 235 G HN 0.251 nan 8.290 nan 0.000 0.566 236 T N 1.316 115.888 114.554 0.030 0.000 2.784 236 T HA 0.481 4.831 4.350 -0.000 0.000 0.291 236 T C 0.073 174.783 174.700 0.017 0.000 0.942 236 T CA 0.248 62.364 62.100 0.028 0.000 1.161 236 T CB 1.209 70.083 68.868 0.010 0.000 0.885 236 T HN 0.833 nan 8.240 nan 0.000 0.534 237 V N 2.784 122.710 119.914 0.020 0.000 2.628 237 V HA 0.751 4.871 4.120 -0.000 0.000 0.306 237 V C 0.053 176.072 176.094 -0.126 0.000 1.045 237 V CA -0.979 61.310 62.300 -0.017 0.000 0.905 237 V CB 1.825 33.678 31.823 0.049 0.000 0.997 237 V HN 1.018 nan 8.190 nan 0.000 0.436 238 A N 3.005 125.754 122.820 -0.119 0.000 2.318 238 A HA 0.819 5.139 4.320 -0.000 0.000 0.324 238 A C 0.061 177.531 177.584 -0.190 0.000 1.170 238 A CA -0.420 51.521 52.037 -0.160 0.000 0.810 238 A CB 1.114 20.070 19.000 -0.073 0.000 1.198 238 A HN 0.914 nan 8.150 nan 0.000 0.484 239 T N -0.357 114.029 114.554 -0.279 0.000 2.823 239 T HA 0.839 5.189 4.350 -0.000 0.000 0.279 239 T C 0.036 174.656 174.700 -0.134 0.000 0.998 239 T CA -0.123 61.832 62.100 -0.242 0.000 0.994 239 T CB 1.538 70.165 68.868 -0.401 0.000 0.960 239 T HN 2.156 nan 8.240 nan 0.000 0.448 240 G N 1.317 110.079 108.800 -0.063 0.000 2.358 240 G HA2 0.378 4.338 3.960 -0.000 0.000 0.301 240 G HA3 0.378 4.338 3.960 -0.000 0.000 0.301 240 G C -1.458 173.447 174.900 0.009 0.000 1.539 240 G CA -1.252 43.836 45.100 -0.020 0.000 0.893 240 G HN 0.863 nan 8.290 nan 0.000 0.636 241 R N 0.602 121.112 120.500 0.018 0.000 2.441 241 R HA 0.519 4.859 4.340 -0.000 0.000 0.284 241 R C -0.099 176.184 176.300 -0.029 0.000 1.070 241 R CA -0.566 55.545 56.100 0.018 0.000 1.047 241 R CB 0.442 30.758 30.300 0.026 0.000 1.016 241 R HN 0.428 nan 8.270 nan 0.000 0.477 242 I N 3.731 124.284 120.570 -0.027 0.000 2.441 242 I HA 0.007 4.177 4.170 -0.000 0.000 0.287 242 I C 0.826 176.872 176.117 -0.118 0.000 1.049 242 I CA 0.048 61.280 61.300 -0.114 0.000 1.381 242 I CB 1.588 39.572 38.000 -0.026 0.000 1.409 242 I HN 0.768 nan 8.210 nan 0.000 0.523 243 E N 4.555 124.637 120.200 -0.197 0.000 2.162 243 E HA 0.084 4.434 4.350 -0.000 0.000 0.193 243 E C -0.008 176.523 176.600 -0.116 0.000 0.953 243 E CA 0.665 56.987 56.400 -0.129 0.000 0.849 243 E CB 0.422 30.049 29.700 -0.122 0.000 0.810 243 E HN 0.565 nan 8.360 nan 0.000 0.470 244 R N -1.455 118.938 120.500 -0.177 0.000 2.698 244 R HA 0.634 4.974 4.340 -0.000 0.000 0.275 244 R C 0.433 176.712 176.300 -0.036 0.000 1.001 244 R CA -0.318 55.729 56.100 -0.088 0.000 0.896 244 R CB 1.421 31.683 30.300 -0.063 0.000 1.218 244 R HN 0.159 nan 8.270 nan 0.000 0.462 245 G N 1.912 110.746 108.800 0.057 0.000 2.547 245 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.271 245 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.271 245 G C -1.139 173.901 174.900 0.234 0.000 1.209 245 G CA 0.485 45.677 45.100 0.154 0.000 0.959 245 G HN 1.047 nan 8.290 nan 0.000 0.563 246 K N -1.847 118.755 120.400 0.338 0.000 2.597 246 K HA 0.697 5.017 4.320 -0.000 0.000 0.282 246 K C -0.729 175.886 176.600 0.025 0.000 0.975 246 K CA -0.675 55.771 56.287 0.265 0.000 0.867 246 K CB 2.006 34.576 32.500 0.117 0.000 1.465 246 K HN 1.637 nan 8.250 nan 0.000 0.417 247 V N -1.743 118.106 119.914 -0.108 0.000 3.001 247 V HA 0.785 4.905 4.120 -0.000 0.000 0.314 247 V C -0.983 175.018 176.094 -0.155 0.000 1.099 247 V CA -0.865 61.222 62.300 -0.354 0.000 0.989 247 V CB 1.582 32.992 31.823 -0.688 0.000 1.040 247 V HN 1.026 nan 8.190 nan 0.000 0.434 248 K N 0.277 120.584 120.400 -0.155 0.000 2.578 248 K HA 0.661 4.981 4.320 -0.000 0.000 0.287 248 K C -1.447 175.101 176.600 -0.088 0.000 1.010 248 K CA -0.944 55.291 56.287 -0.087 0.000 0.889 248 K CB 1.858 34.322 32.500 -0.059 0.000 1.514 248 K HN 0.435 nan 8.250 nan 0.000 0.424 249 V N 0.935 120.814 119.914 -0.057 0.000 2.540 249 V HA 0.296 4.416 4.120 -0.000 0.000 0.297 249 V C 1.210 177.272 176.094 -0.052 0.000 1.024 249 V CA 1.567 63.837 62.300 -0.050 0.000 1.105 249 V CB -0.037 31.767 31.823 -0.032 0.000 0.938 249 V HN 1.096 nan 8.190 nan 0.000 0.482 250 G N 3.238 112.005 108.800 -0.056 0.000 2.145 250 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.176 250 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.176 250 G C -0.426 174.435 174.900 -0.064 0.000 1.013 250 G CA -0.278 44.792 45.100 -0.050 0.000 0.689 250 G HN 0.673 nan 8.290 nan 0.000 0.506 251 D N 0.317 120.664 120.400 -0.089 0.000 2.375 251 D HA 0.428 5.068 4.640 -0.000 0.000 0.247 251 D C 0.004 176.244 176.300 -0.099 0.000 1.061 251 D CA -0.378 53.555 54.000 -0.112 0.000 0.834 251 D CB 1.846 42.533 40.800 -0.189 0.000 1.247 251 D HN 0.394 nan 8.370 nan 0.000 0.489 252 E N 1.157 121.311 120.200 -0.075 0.000 2.331 252 E HA 0.422 4.772 4.350 -0.000 0.000 0.272 252 E C -0.693 175.874 176.600 -0.054 0.000 1.036 252 E CA -0.636 55.732 56.400 -0.053 0.000 0.864 252 E CB 1.095 30.775 29.700 -0.034 0.000 1.035 252 E HN 0.306 nan 8.360 nan 0.000 0.408 253 V N 0.443 120.337 119.914 -0.034 0.000 3.188 253 V HA 0.568 4.688 4.120 -0.000 0.000 0.305 253 V C -1.236 174.865 176.094 0.013 0.000 1.232 253 V CA -0.903 61.396 62.300 -0.002 0.000 1.043 253 V CB 2.018 33.840 31.823 -0.003 0.000 1.068 253 V HN 0.725 nan 8.190 nan 0.000 0.439 254 E N 2.169 122.390 120.200 0.035 0.000 2.171 254 E HA 0.590 4.940 4.350 -0.000 0.000 0.271 254 E C -1.106 175.502 176.600 0.013 0.000 0.916 254 E CA -0.681 55.727 56.400 0.013 0.000 0.774 254 E CB 2.692 32.394 29.700 0.004 0.000 1.128 254 E HN 0.695 nan 8.360 nan 0.000 0.403 255 I N 3.502 124.068 120.570 -0.006 0.000 2.316 255 I HA 0.144 4.314 4.170 -0.000 0.000 0.286 255 I C -0.671 175.425 176.117 -0.035 0.000 1.107 255 I CA -0.609 60.683 61.300 -0.014 0.000 1.219 255 I CB 0.540 38.531 38.000 -0.015 0.000 1.455 255 I HN 0.158 nan 8.210 nan 0.000 0.498 256 V N 4.196 124.082 119.914 -0.045 0.000 2.348 256 V HA 0.725 4.845 4.120 -0.000 0.000 0.270 256 V C 0.678 176.721 176.094 -0.085 0.000 1.037 256 V CA -0.439 61.816 62.300 -0.075 0.000 0.872 256 V CB 0.901 32.669 31.823 -0.091 0.000 1.002 256 V HN 0.873 nan 8.190 nan 0.000 0.464 257 G N 4.483 113.230 108.800 -0.088 0.000 3.411 257 G HA2 0.519 4.479 3.960 -0.000 0.000 0.298 257 G HA3 0.519 4.479 3.960 -0.000 0.000 0.298 257 G C -1.026 173.824 174.900 -0.083 0.000 3.379 257 G CA -0.633 44.413 45.100 -0.091 0.000 0.608 257 G HN 0.663 nan 8.290 nan 0.000 0.292 258 L N -0.809 120.355 121.223 -0.099 0.000 0.591 258 L HA 0.157 4.497 4.340 -0.000 0.000 0.356 258 L C 1.209 178.040 176.870 -0.065 0.000 1.007 258 L CA 2.034 56.824 54.840 -0.083 0.000 1.223 258 L CB -1.087 40.928 42.059 -0.072 0.000 0.022 258 L HN 2.796 nan 8.230 nan 0.000 0.093 259 A N -1.154 121.632 122.820 -0.055 0.000 3.277 259 A HA 0.106 4.426 4.320 -0.000 0.000 0.654 259 A C -0.839 176.718 177.584 -0.046 0.000 0.495 259 A CA 0.075 52.086 52.037 -0.044 0.000 0.233 259 A CB -2.429 16.549 19.000 -0.037 0.000 3.774 259 A HN 1.090 nan 8.150 nan 0.000 0.535 260 P HA -0.210 nan 4.420 nan 0.000 0.271 260 P C 0.297 177.569 177.300 -0.046 0.000 1.272 260 P CA 1.858 64.936 63.100 -0.037 0.000 1.296 260 P CB -0.043 31.639 31.700 -0.031 0.000 0.698 261 E N -1.926 118.248 120.200 -0.044 0.000 2.359 261 E HA 0.322 4.672 4.350 -0.000 0.000 0.266 261 E C -0.572 175.996 176.600 -0.052 0.000 0.920 261 E CA -0.406 55.963 56.400 -0.052 0.000 0.788 261 E CB 0.672 30.344 29.700 -0.046 0.000 1.279 261 E HN 0.473 nan 8.360 nan 0.000 0.438 262 T N -0.599 113.918 114.554 -0.062 0.000 2.903 262 T HA -0.030 4.320 4.350 -0.000 0.000 0.299 262 T C 0.387 175.063 174.700 -0.040 0.000 1.041 262 T CA 0.019 62.086 62.100 -0.056 0.000 1.138 262 T CB 0.393 69.225 68.868 -0.061 0.000 1.040 262 T HN 0.433 nan 8.240 nan 0.000 0.524 263 R N 2.083 122.564 120.500 -0.032 0.000 2.337 263 R HA 0.380 4.720 4.340 -0.000 0.000 0.319 263 R C -0.013 176.276 176.300 -0.019 0.000 0.954 263 R CA -0.801 55.284 56.100 -0.024 0.000 0.840 263 R CB 0.903 31.189 30.300 -0.023 0.000 1.164 263 R HN 0.802 nan 8.270 nan 0.000 0.472 264 R N 3.166 123.655 120.500 -0.018 0.000 2.298 264 R HA 0.276 4.616 4.340 -0.000 0.000 0.310 264 R C -1.136 175.154 176.300 -0.016 0.000 1.068 264 R CA 0.304 56.395 56.100 -0.015 0.000 0.957 264 R CB 0.815 31.106 30.300 -0.015 0.000 1.003 264 R HN 0.732 nan 8.270 nan 0.000 0.454 265 T N 1.950 116.495 114.554 -0.016 0.000 2.821 265 T HA 0.275 4.625 4.350 -0.000 0.000 0.306 265 T C -0.905 173.779 174.700 -0.027 0.000 1.313 265 T CA -0.740 61.348 62.100 -0.019 0.000 1.012 265 T CB 1.731 70.589 68.868 -0.017 0.000 1.298 265 T HN 0.247 nan 8.240 nan 0.000 0.502 266 V N 1.404 121.300 119.914 -0.030 0.000 2.617 266 V HA 0.553 4.673 4.120 -0.000 0.000 0.298 266 V C 0.235 176.302 176.094 -0.045 0.000 1.048 266 V CA -0.773 61.503 62.300 -0.041 0.000 0.964 266 V CB 1.744 33.545 31.823 -0.036 0.000 1.004 266 V HN 0.737 nan 8.190 nan 0.000 0.466 267 V N 4.008 123.882 119.914 -0.066 0.000 2.465 267 V HA 0.354 4.474 4.120 -0.000 0.000 0.279 267 V C 1.052 177.114 176.094 -0.052 0.000 1.045 267 V CA 0.967 63.228 62.300 -0.065 0.000 0.938 267 V CB 1.578 33.339 31.823 -0.104 0.000 0.986 267 V HN 1.111 nan 8.190 nan 0.000 0.467 268 T N 3.780 118.313 114.554 -0.035 0.000 3.003 268 T HA 0.400 4.750 4.350 -0.000 0.000 0.261 268 T C 0.429 175.117 174.700 -0.019 0.000 1.003 268 T CA 0.517 62.601 62.100 -0.026 0.000 0.917 268 T CB -0.290 68.568 68.868 -0.018 0.000 1.084 268 T HN 1.002 nan 8.240 nan 0.000 0.522 269 G N 0.824 109.613 108.800 -0.018 0.000 2.723 269 G HA2 0.565 4.525 3.960 -0.000 0.000 0.295 269 G HA3 0.565 4.525 3.960 -0.000 0.000 0.295 269 G C -1.455 173.440 174.900 -0.008 0.000 1.464 269 G CA -0.406 44.689 45.100 -0.008 0.000 1.012 269 G HN 0.264 nan 8.290 nan 0.000 0.522 270 V N 2.031 121.942 119.914 -0.005 0.000 2.385 270 V HA 0.482 4.602 4.120 -0.000 0.000 0.277 270 V C -0.468 175.633 176.094 0.013 0.000 1.012 270 V CA -0.773 61.528 62.300 0.000 0.000 0.832 270 V CB 0.915 32.731 31.823 -0.011 0.000 1.028 270 V HN 0.767 nan 8.190 nan 0.000 0.436 271 E N 4.098 124.310 120.200 0.021 0.000 2.246 271 E HA 0.589 4.939 4.350 -0.000 0.000 0.266 271 E C -0.882 175.739 176.600 0.035 0.000 0.880 271 E CA -0.575 55.843 56.400 0.031 0.000 0.762 271 E CB 2.920 32.641 29.700 0.035 0.000 1.180 271 E HN 0.664 nan 8.360 nan 0.000 0.416 272 M N 3.220 122.848 119.600 0.048 0.000 2.404 272 M HA 0.292 4.772 4.480 -0.000 0.000 0.338 272 M C -0.733 175.645 176.300 0.130 0.000 1.150 272 M CA -0.354 54.981 55.300 0.059 0.000 1.016 272 M CB 0.888 33.523 32.600 0.058 0.000 1.672 272 M HN 0.625 nan 8.290 nan 0.000 0.448 273 H N 5.116 124.221 119.070 0.060 0.000 2.542 273 H HA -0.175 4.381 4.556 -0.000 0.000 0.313 273 H C 0.475 175.839 175.328 0.060 0.000 0.960 273 H CA 1.338 57.430 56.048 0.073 0.000 1.032 273 H CB -0.756 29.055 29.762 0.082 0.000 1.620 273 H HN 0.938 nan 8.280 nan 0.000 0.346 274 R N -1.536 119.026 120.500 0.103 0.000 4.059 274 R HA -0.236 4.104 4.340 -0.000 0.000 0.421 274 R C 0.122 176.465 176.300 0.071 0.000 1.034 274 R CA 1.999 58.146 56.100 0.080 0.000 1.621 274 R CB -0.394 29.952 30.300 0.077 0.000 2.247 274 R HN 0.276 nan 8.270 nan 0.000 0.540 275 K N 0.605 121.057 120.400 0.086 0.000 2.318 275 K HA 0.289 4.609 4.320 -0.000 0.000 0.249 275 K C -0.272 176.362 176.600 0.056 0.000 0.942 275 K CA -0.574 55.752 56.287 0.065 0.000 0.808 275 K CB 1.664 34.203 32.500 0.065 0.000 1.189 275 K HN -0.140 nan 8.250 nan 0.000 0.428 276 T N 2.408 116.986 114.554 0.040 0.000 2.849 276 T HA -0.054 4.296 4.350 -0.000 0.000 0.289 276 T C 0.007 174.725 174.700 0.030 0.000 1.010 276 T CA 0.242 62.360 62.100 0.030 0.000 1.161 276 T CB -0.065 68.815 68.868 0.021 0.000 0.989 276 T HN 0.128 nan 8.240 nan 0.000 0.523 277 L N 4.736 125.974 121.223 0.024 0.000 2.313 277 L HA 0.329 4.669 4.340 -0.000 0.000 0.283 277 L C 1.044 177.921 176.870 0.011 0.000 1.013 277 L CA -0.372 54.479 54.840 0.018 0.000 0.816 277 L CB 1.618 43.688 42.059 0.019 0.000 1.236 277 L HN 0.612 nan 8.230 nan 0.000 0.419 278 Q N 2.695 122.500 119.800 0.009 0.000 2.016 278 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 278 Q C 0.644 176.643 176.000 -0.002 0.000 0.978 278 Q CA 1.733 57.538 55.803 0.003 0.000 0.833 278 Q CB 0.379 29.120 28.738 0.005 0.000 0.895 278 Q HN 0.708 nan 8.270 nan 0.000 0.427 279 E N -1.384 118.818 120.200 0.004 0.000 2.572 279 E HA 0.234 4.584 4.350 -0.000 0.000 0.220 279 E C -0.279 176.334 176.600 0.023 0.000 0.945 279 E CA 0.182 56.584 56.400 0.004 0.000 1.070 279 E CB 0.835 30.540 29.700 0.007 0.000 1.090 279 E HN 0.385 nan 8.360 nan 0.000 0.506 280 G N 2.627 111.445 108.800 0.029 0.000 2.580 280 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.289 280 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.289 280 G C 0.256 175.214 174.900 0.098 0.000 0.118 280 G CA 0.976 46.108 45.100 0.055 0.000 1.158 280 G HN 0.276 nan 8.290 nan 0.000 0.544 281 I N 0.769 121.390 120.570 0.086 0.000 4.019 281 I HA 0.869 5.039 4.170 -0.000 0.000 0.257 281 I C 0.976 177.149 176.117 0.092 0.000 1.421 281 I CA -1.050 60.311 61.300 0.102 0.000 0.967 281 I CB 0.260 38.301 38.000 0.067 0.000 1.591 281 I HN 0.809 nan 8.210 nan 0.000 0.671 282 A N 0.577 123.433 122.820 0.061 0.000 2.451 282 A HA 0.511 4.831 4.320 -0.000 0.000 0.266 282 A C 0.891 178.488 177.584 0.022 0.000 1.119 282 A CA 0.291 52.341 52.037 0.020 0.000 0.786 282 A CB -1.317 17.680 19.000 -0.004 0.000 1.061 282 A HN 2.016 nan 8.150 nan 0.000 0.503 283 G N 2.261 111.075 108.800 0.024 0.000 2.148 283 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.157 283 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.157 283 G C -0.681 174.275 174.900 0.094 0.000 1.012 283 G CA 0.035 45.146 45.100 0.018 0.000 0.677 283 G HN 1.020 nan 8.290 nan 0.000 0.506 284 D N 0.319 120.795 120.400 0.126 0.000 2.602 284 D HA 0.193 4.832 4.640 -0.000 0.000 0.245 284 D C -0.738 175.638 176.300 0.126 0.000 1.325 284 D CA -0.639 53.473 54.000 0.187 0.000 0.952 284 D CB 0.413 41.292 40.800 0.132 0.000 1.317 284 D HN 0.200 nan 8.370 nan 0.000 0.577 285 N N 1.454 120.238 118.700 0.140 0.000 2.508 285 N HA 0.192 4.932 4.740 -0.000 0.000 0.253 285 N C 0.066 175.593 175.510 0.027 0.000 1.145 285 N CA -0.199 52.900 53.050 0.081 0.000 0.973 285 N CB 1.820 40.372 38.487 0.109 0.000 1.305 285 N HN 0.308 nan 8.380 nan 0.000 0.506 286 V N 1.069 121.000 119.914 0.028 0.000 3.096 286 V HA 0.736 4.856 4.120 -0.000 0.000 0.319 286 V C 0.447 176.535 176.094 -0.011 0.000 1.082 286 V CA -0.436 61.870 62.300 0.011 0.000 1.022 286 V CB 1.588 33.432 31.823 0.036 0.000 1.103 286 V HN 0.476 nan 8.190 nan 0.000 0.455 287 G N 2.320 111.115 108.800 -0.008 0.000 2.319 287 G HA2 0.549 4.509 3.960 -0.000 0.000 0.308 287 G HA3 0.549 4.509 3.960 -0.000 0.000 0.308 287 G C -0.938 173.959 174.900 -0.006 0.000 1.117 287 G CA -0.337 44.749 45.100 -0.024 0.000 0.903 287 G HN 0.893 nan 8.290 nan 0.000 0.436 288 V N 3.963 123.868 119.914 -0.016 0.000 2.350 288 V HA 0.243 4.363 4.120 -0.000 0.000 0.276 288 V C 0.067 176.155 176.094 -0.010 0.000 1.028 288 V CA -0.708 61.590 62.300 -0.002 0.000 0.860 288 V CB 1.358 33.193 31.823 0.020 0.000 0.990 288 V HN 0.654 nan 8.190 nan 0.000 0.453 289 L N 6.996 128.215 121.223 -0.006 0.000 2.295 289 L HA 0.444 4.784 4.340 -0.000 0.000 0.288 289 L C -0.318 176.546 176.870 -0.011 0.000 1.079 289 L CA 0.242 55.080 54.840 -0.003 0.000 0.830 289 L CB 0.440 42.501 42.059 0.003 0.000 1.200 289 L HN 0.529 nan 8.230 nan 0.000 0.438 290 L N 5.592 126.809 121.223 -0.010 0.000 2.325 290 L HA 0.353 4.693 4.340 -0.000 0.000 0.284 290 L C 0.639 177.503 176.870 -0.011 0.000 1.089 290 L CA -0.275 54.557 54.840 -0.014 0.000 0.836 290 L CB 0.500 42.552 42.059 -0.012 0.000 1.184 290 L HN 0.618 nan 8.230 nan 0.000 0.444 291 R N 3.435 123.926 120.500 -0.015 0.000 2.587 291 R HA 0.006 4.346 4.340 -0.000 0.000 0.268 291 R C 1.062 177.356 176.300 -0.009 0.000 0.978 291 R CA 0.876 56.968 56.100 -0.012 0.000 1.097 291 R CB 0.219 30.509 30.300 -0.016 0.000 0.917 291 R HN 0.840 nan 8.270 nan 0.000 0.414 292 G N 3.019 111.815 108.800 -0.007 0.000 2.451 292 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.296 292 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.296 292 G C -0.010 174.886 174.900 -0.005 0.000 0.922 292 G CA 0.609 45.706 45.100 -0.005 0.000 1.074 292 G HN 0.783 nan 8.290 nan 0.000 0.509 293 V N -3.238 116.674 119.914 -0.004 0.000 3.182 293 V HA 0.995 5.115 4.120 -0.000 0.000 0.311 293 V C 0.440 176.533 176.094 -0.001 0.000 1.221 293 V CA -0.139 62.158 62.300 -0.004 0.000 1.060 293 V CB 1.715 33.535 31.823 -0.007 0.000 1.164 293 V HN 1.182 nan 8.190 nan 0.000 0.466 294 S N -0.364 115.335 115.700 -0.001 0.000 2.704 294 S HA 0.537 5.007 4.470 -0.000 0.000 0.305 294 S C 0.448 175.051 174.600 0.004 0.000 1.107 294 S CA -0.730 57.471 58.200 0.002 0.000 0.993 294 S CB 1.873 65.073 63.200 0.000 0.000 1.110 294 S HN 0.886 nan 8.310 nan 0.000 0.534 295 R N -0.053 120.453 120.500 0.009 0.000 2.313 295 R HA 0.103 4.443 4.340 -0.000 0.000 0.199 295 R C 1.022 177.326 176.300 0.007 0.000 0.958 295 R CA 0.468 56.575 56.100 0.013 0.000 1.047 295 R CB -0.101 30.215 30.300 0.026 0.000 0.955 295 R HN 0.796 nan 8.270 nan 0.000 0.481 296 E N 0.170 120.371 120.200 0.002 0.000 2.065 296 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 296 E C 1.210 177.805 176.600 -0.009 0.000 0.960 296 E CA 0.528 56.926 56.400 -0.002 0.000 0.824 296 E CB 0.035 29.733 29.700 -0.003 0.000 0.793 296 E HN 0.363 nan 8.360 nan 0.000 0.459 297 E N 0.788 120.982 120.200 -0.010 0.000 2.448 297 E HA -0.113 4.237 4.350 -0.000 0.000 0.203 297 E C 0.081 176.670 176.600 -0.019 0.000 1.046 297 E CA 0.504 56.894 56.400 -0.015 0.000 0.871 297 E CB 0.171 29.862 29.700 -0.014 0.000 0.790 297 E HN -0.001 nan 8.360 nan 0.000 0.545 298 V N 1.875 121.778 119.914 -0.017 0.000 2.361 298 V HA 0.157 4.277 4.120 -0.000 0.000 0.252 298 V C -0.126 175.952 176.094 -0.026 0.000 0.986 298 V CA -0.461 61.825 62.300 -0.023 0.000 1.033 298 V CB 0.500 32.310 31.823 -0.022 0.000 1.282 298 V HN 0.017 nan 8.190 nan 0.000 0.514 299 E N 1.322 121.506 120.200 -0.026 0.000 2.254 299 E HA 0.555 4.905 4.350 -0.000 0.000 0.261 299 E C 0.478 177.060 176.600 -0.031 0.000 1.051 299 E CA -0.709 55.677 56.400 -0.025 0.000 0.902 299 E CB 1.574 31.263 29.700 -0.018 0.000 1.168 299 E HN 0.480 nan 8.360 nan 0.000 0.423 300 R N -0.299 120.184 120.500 -0.027 0.000 3.532 300 R HA -0.046 4.294 4.340 -0.000 0.000 0.241 300 R C 1.303 177.588 176.300 -0.024 0.000 0.883 300 R CA 0.808 56.892 56.100 -0.025 0.000 1.154 300 R CB -0.712 29.582 30.300 -0.010 0.000 0.967 300 R HN 0.817 nan 8.270 nan 0.000 0.456 301 G N -0.069 108.723 108.800 -0.013 0.000 2.454 301 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.323 301 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.323 301 G C -0.007 174.873 174.900 -0.034 0.000 0.933 301 G CA 1.259 46.351 45.100 -0.013 0.000 0.803 301 G HN 0.484 nan 8.290 nan 0.000 0.511 302 Q N -2.073 117.705 119.800 -0.036 0.000 2.298 302 Q HA 0.789 5.129 4.340 -0.000 0.000 0.181 302 Q C -0.444 175.532 176.000 -0.040 0.000 1.004 302 Q CA -0.814 54.961 55.803 -0.046 0.000 1.050 302 Q CB 1.912 30.626 28.738 -0.040 0.000 1.254 302 Q HN 0.204 nan 8.270 nan 0.000 0.531 303 V N 0.887 120.778 119.914 -0.038 0.000 2.852 303 V HA 0.279 4.399 4.120 -0.000 0.000 0.300 303 V C -1.747 174.343 176.094 -0.006 0.000 1.205 303 V CA -0.552 61.728 62.300 -0.034 0.000 0.940 303 V CB 1.988 33.781 31.823 -0.050 0.000 1.047 303 V HN 0.457 nan 8.190 nan 0.000 0.429 304 L N 5.262 126.500 121.223 0.025 0.000 2.294 304 L HA 0.914 5.254 4.340 -0.000 0.000 0.283 304 L C 0.209 177.203 176.870 0.206 0.000 1.015 304 L CA -0.195 54.721 54.840 0.126 0.000 0.831 304 L CB 1.276 43.459 42.059 0.206 0.000 1.217 304 L HN 0.771 nan 8.230 nan 0.000 0.420 305 A N 3.654 126.594 122.820 0.199 0.000 2.486 305 A HA 0.555 4.875 4.320 -0.000 0.000 0.277 305 A C -0.798 176.931 177.584 0.242 0.000 1.282 305 A CA -0.768 51.418 52.037 0.248 0.000 0.784 305 A CB 1.283 20.322 19.000 0.066 0.000 1.350 305 A HN 0.609 nan 8.150 nan 0.000 0.454 306 K N 0.422 120.940 120.400 0.197 0.000 2.448 306 K HA 0.223 4.543 4.320 -0.000 0.000 0.278 306 K C -2.361 174.277 176.600 0.063 0.000 1.009 306 K CA -1.221 55.138 56.287 0.120 0.000 0.995 306 K CB 0.147 32.709 32.500 0.103 0.000 0.917 306 K HN 0.164 nan 8.250 nan 0.000 0.481 307 P HA -0.055 nan 4.420 nan 0.000 0.252 307 P C -0.071 177.239 177.300 0.017 0.000 1.183 307 P CA 1.075 64.186 63.100 0.017 0.000 0.973 307 P CB 0.137 31.840 31.700 0.005 0.000 0.990 308 G N 1.855 110.664 108.800 0.015 0.000 2.260 308 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.179 308 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.179 308 G C 0.333 175.245 174.900 0.020 0.000 1.002 308 G CA -0.226 44.882 45.100 0.014 0.000 0.677 308 G HN 0.574 nan 8.290 nan 0.000 0.486 309 S N 0.618 116.334 115.700 0.027 0.000 2.411 309 S HA 0.662 5.132 4.470 -0.000 0.000 0.294 309 S C 0.386 174.995 174.600 0.014 0.000 1.115 309 S CA 0.252 58.469 58.200 0.028 0.000 1.071 309 S CB -0.181 63.046 63.200 0.046 0.000 0.967 309 S HN 1.333 nan 8.310 nan 0.000 0.488 310 I N 3.049 123.628 120.570 0.015 0.000 8.970 310 I HA -0.189 3.981 4.170 -0.000 0.000 0.126 310 I C 0.058 176.158 176.117 -0.029 0.000 1.865 310 I CA 1.450 62.752 61.300 0.004 0.000 2.038 310 I CB -0.803 37.184 38.000 -0.021 0.000 3.930 310 I HN 0.808 nan 8.210 nan 0.000 0.169 311 T N 3.344 117.856 114.554 -0.071 0.000 2.843 311 T HA 0.794 5.144 4.350 -0.000 0.000 0.302 311 T C -3.052 171.351 174.700 -0.495 0.000 1.232 311 T CA -1.664 60.289 62.100 -0.244 0.000 1.009 311 T CB 2.746 71.469 68.868 -0.242 0.000 1.254 311 T HN 0.543 nan 8.240 nan 0.000 0.504 312 P HA 0.301 nan 4.420 nan 0.000 0.271 312 P C -1.156 175.749 177.300 -0.658 0.000 1.220 312 P CA 0.009 62.848 63.100 -0.436 0.000 0.768 312 P CB 0.166 31.707 31.700 -0.265 0.000 0.848 313 H N 1.825 120.800 119.070 -0.159 0.000 3.017 313 H HA 0.152 4.708 4.556 -0.000 0.000 0.340 313 H C 1.022 176.255 175.328 -0.157 0.000 1.014 313 H CA -0.284 55.682 56.048 -0.136 0.000 1.341 313 H CB 1.834 31.508 29.762 -0.147 0.000 1.739 313 H HN 0.367 nan 8.280 nan 0.000 0.506 314 T N -0.625 113.949 114.554 0.034 0.000 3.051 314 T HA 0.198 4.548 4.350 -0.000 0.000 0.255 314 T C 0.586 175.342 174.700 0.094 0.000 1.085 314 T CA 0.283 62.389 62.100 0.010 0.000 1.109 314 T CB 0.811 69.678 68.868 -0.001 0.000 0.921 314 T HN 0.226 nan 8.240 nan 0.000 0.488 315 K N 1.108 121.596 120.400 0.147 0.000 2.316 315 K HA 0.634 4.954 4.320 -0.000 0.000 0.251 315 K C -1.587 175.199 176.600 0.309 0.000 0.934 315 K CA -1.028 55.370 56.287 0.186 0.000 0.802 315 K CB 2.077 34.635 32.500 0.097 0.000 1.171 315 K HN 0.376 nan 8.250 nan 0.000 0.426 316 F N -1.163 118.782 119.950 -0.009 0.000 2.690 316 F HA 0.335 4.862 4.527 -0.000 0.000 0.311 316 F C -0.845 174.991 175.800 0.060 0.000 1.111 316 F CA -1.111 56.892 58.000 0.005 0.000 1.003 316 F CB 0.721 39.715 39.000 -0.010 0.000 1.283 316 F HN 0.397 nan 8.300 nan 0.000 0.442 317 E N 1.656 121.842 120.200 -0.024 0.000 2.369 317 E HA 0.751 5.101 4.350 -0.000 0.000 0.255 317 E C -0.811 175.754 176.600 -0.058 0.000 1.172 317 E CA -0.556 55.790 56.400 -0.090 0.000 0.932 317 E CB 1.403 31.103 29.700 -0.000 0.000 1.040 317 E HN 1.029 nan 8.360 nan 0.000 0.454 318 A N 1.051 123.819 122.820 -0.085 0.000 2.590 318 A HA 0.191 4.511 4.320 -0.000 0.000 0.309 318 A C -0.911 176.584 177.584 -0.149 0.000 1.039 318 A CA -0.656 51.384 52.037 0.006 0.000 0.824 318 A CB 1.199 20.360 19.000 0.269 0.000 1.247 318 A HN 0.322 nan 8.150 nan 0.000 0.394 319 S N 1.773 117.403 115.700 -0.117 0.000 2.405 319 S HA 0.521 4.991 4.470 -0.000 0.000 0.291 319 S C 0.163 174.660 174.600 -0.172 0.000 1.137 319 S CA -0.172 57.939 58.200 -0.149 0.000 1.061 319 S CB -0.533 62.615 63.200 -0.087 0.000 1.001 319 S HN 1.124 nan 8.310 nan 0.000 0.507 320 V N 5.167 124.951 119.914 -0.217 0.000 3.096 320 V HA 0.472 4.592 4.120 -0.000 0.000 0.319 320 V C -0.696 175.420 176.094 0.038 0.000 1.082 320 V CA -0.897 61.331 62.300 -0.119 0.000 1.022 320 V CB 1.456 33.210 31.823 -0.116 0.000 1.103 320 V HN 0.796 nan 8.190 nan 0.000 0.455 321 Y N 1.244 121.520 120.300 -0.041 0.000 2.646 321 Y HA 0.565 5.115 4.550 -0.000 0.000 0.334 321 Y C -0.385 175.539 175.900 0.040 0.000 1.004 321 Y CA -1.070 57.024 58.100 -0.010 0.000 1.301 321 Y CB 0.831 39.268 38.460 -0.039 0.000 1.093 321 Y HN 0.353 nan 8.280 nan 0.000 0.530 322 V N 6.938 126.695 119.914 -0.262 0.000 2.509 322 V HA -0.108 4.012 4.120 -0.000 0.000 0.297 322 V C 0.360 176.046 176.094 -0.680 0.000 1.014 322 V CA 0.193 62.336 62.300 -0.262 0.000 1.127 322 V CB 0.096 31.923 31.823 0.006 0.000 0.925 322 V HN 0.609 nan 8.190 nan 0.000 0.480 323 L N 6.909 127.813 121.223 -0.533 0.000 2.433 323 L HA 0.209 4.549 4.340 -0.000 0.000 0.275 323 L C 0.748 177.476 176.870 -0.237 0.000 1.128 323 L CA 0.622 55.178 54.840 -0.474 0.000 0.875 323 L CB 0.244 42.178 42.059 -0.208 0.000 1.171 323 L HN 0.650 nan 8.230 nan 0.000 0.463 324 K N 3.386 123.680 120.400 -0.176 0.000 2.339 324 K HA -0.115 4.205 4.320 -0.000 0.000 0.260 324 K C 1.142 177.725 176.600 -0.028 0.000 0.989 324 K CA 0.450 56.702 56.287 -0.058 0.000 0.888 324 K CB 0.458 32.960 32.500 0.004 0.000 0.983 324 K HN 0.686 nan 8.250 nan 0.000 0.515 325 K N 1.018 121.419 120.400 0.002 0.000 2.217 325 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 325 K C 0.781 177.387 176.600 0.010 0.000 1.051 325 K CA 1.410 57.712 56.287 0.024 0.000 0.952 325 K CB 0.220 32.760 32.500 0.066 0.000 0.736 325 K HN 0.439 nan 8.250 nan 0.000 0.453 326 E N 0.813 121.016 120.200 0.005 0.000 2.481 326 E HA -0.048 4.302 4.350 -0.000 0.000 0.195 326 E C 0.454 177.044 176.600 -0.017 0.000 1.047 326 E CA 0.632 57.029 56.400 -0.006 0.000 0.867 326 E CB 0.373 30.070 29.700 -0.005 0.000 0.858 326 E HN 0.387 nan 8.360 nan 0.000 0.513 327 E N -0.838 119.357 120.200 -0.008 0.000 2.463 327 E HA 0.217 4.567 4.350 -0.000 0.000 0.193 327 E C 0.886 177.485 176.600 -0.002 0.000 1.041 327 E CA 0.320 56.718 56.400 -0.003 0.000 0.879 327 E CB 0.614 30.332 29.700 0.029 0.000 0.997 327 E HN 0.285 nan 8.360 nan 0.000 0.478 328 G N 0.840 109.632 108.800 -0.013 0.000 2.254 328 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.225 328 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.225 328 G C 0.723 175.596 174.900 -0.044 0.000 1.003 328 G CA -0.243 44.846 45.100 -0.018 0.000 0.622 328 G HN 0.489 nan 8.290 nan 0.000 0.507 329 G N 0.102 108.874 108.800 -0.045 0.000 2.580 329 G HA2 0.475 4.435 3.960 -0.000 0.000 0.225 329 G HA3 0.475 4.435 3.960 -0.000 0.000 0.225 329 G C 0.356 175.223 174.900 -0.054 0.000 1.521 329 G CA -0.324 44.740 45.100 -0.061 0.000 1.068 329 G HN 0.539 nan 8.290 nan 0.000 0.564 330 R N 0.347 120.824 120.500 -0.038 0.000 2.502 330 R HA 0.065 4.405 4.340 -0.000 0.000 0.292 330 R C 0.354 176.720 176.300 0.110 0.000 0.998 330 R CA 0.426 56.542 56.100 0.026 0.000 1.056 330 R CB -0.009 30.280 30.300 -0.018 0.000 0.939 330 R HN 0.886 nan 8.270 nan 0.000 0.411 331 H N -0.235 118.815 119.070 -0.034 0.000 2.488 331 H HA 0.206 4.762 4.556 -0.000 0.000 0.294 331 H C 0.464 175.783 175.328 -0.015 0.000 1.088 331 H CA 0.116 56.151 56.048 -0.021 0.000 1.086 331 H CB 0.523 30.276 29.762 -0.014 0.000 1.569 331 H HN 0.731 nan 8.280 nan 0.000 0.548 332 T N -4.444 110.116 114.554 0.011 0.000 3.602 332 T HA 0.499 4.849 4.350 -0.000 0.000 0.287 332 T C 1.100 175.785 174.700 -0.025 0.000 0.967 332 T CA 0.285 62.339 62.100 -0.077 0.000 1.111 332 T CB 0.823 69.619 68.868 -0.120 0.000 1.156 332 T HN 0.726 nan 8.240 nan 0.000 0.470 333 G N 1.912 110.708 108.800 -0.007 0.000 2.396 333 G HA2 0.387 4.347 3.960 -0.000 0.000 0.254 333 G HA3 0.387 4.347 3.960 -0.000 0.000 0.254 333 G C -0.942 173.946 174.900 -0.020 0.000 1.248 333 G CA -0.079 45.042 45.100 0.035 0.000 1.033 333 G HN 1.561 nan 8.290 nan 0.000 0.502 334 F N -2.523 117.132 119.950 -0.491 0.000 3.122 334 F HA 0.856 5.383 4.527 -0.000 0.000 0.325 334 F C -1.290 174.137 175.800 -0.621 0.000 1.162 334 F CA -2.386 55.045 58.000 -0.948 0.000 0.876 334 F CB 0.400 38.668 39.000 -1.220 0.000 1.429 334 F HN 1.057 nan 8.300 nan 0.000 0.484 335 F N -0.643 119.247 119.950 -0.100 0.000 2.588 335 F HA 0.736 5.263 4.527 -0.000 0.000 0.310 335 F C -0.011 175.797 175.800 0.014 0.000 1.082 335 F CA -1.798 56.119 58.000 -0.137 0.000 0.929 335 F CB 1.187 40.151 39.000 -0.060 0.000 1.254 335 F HN 0.538 nan 8.300 nan 0.000 0.455 336 S N 1.077 116.843 115.700 0.111 0.000 2.642 336 S HA 0.336 4.806 4.470 -0.000 0.000 0.308 336 S C 1.052 175.753 174.600 0.168 0.000 1.255 336 S CA 1.173 59.435 58.200 0.104 0.000 1.057 336 S CB -0.065 63.173 63.200 0.063 0.000 0.785 336 S HN 1.508 nan 8.310 nan 0.000 0.500 337 G N 1.852 110.741 108.800 0.149 0.000 2.255 337 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.196 337 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.196 337 G C -0.039 174.951 174.900 0.151 0.000 0.998 337 G CA -0.193 44.991 45.100 0.139 0.000 0.656 337 G HN 0.704 nan 8.290 nan 0.000 0.490 338 Y N 2.069 122.387 120.300 0.031 0.000 2.459 338 Y HA 0.525 5.075 4.550 -0.000 0.000 0.349 338 Y C 0.977 176.836 175.900 -0.068 0.000 1.266 338 Y CA 0.235 58.307 58.100 -0.047 0.000 1.483 338 Y CB 0.443 38.865 38.460 -0.064 0.000 1.362 338 Y HN 0.220 nan 8.280 nan 0.000 0.628 339 R N 4.482 124.556 120.500 -0.711 0.000 2.928 339 R HA 0.223 4.563 4.340 -0.000 0.000 0.248 339 R C -2.683 173.213 176.300 -0.673 0.000 1.796 339 R CA -1.406 54.404 56.100 -0.483 0.000 1.477 339 R CB 0.815 30.988 30.300 -0.212 0.000 1.484 339 R HN 0.480 nan 8.270 nan 0.000 0.623 340 P HA 0.145 nan 4.420 nan 0.000 0.329 340 P C -0.782 176.209 177.300 -0.516 0.000 1.319 340 P CA -0.316 62.375 63.100 -0.682 0.000 0.742 340 P CB 0.715 32.048 31.700 -0.611 0.000 1.564 341 Q N -1.257 118.263 119.800 -0.467 0.000 2.310 341 Q HA 0.506 4.846 4.340 -0.000 0.000 0.270 341 Q C -1.112 174.713 176.000 -0.292 0.000 1.025 341 Q CA -0.097 55.533 55.803 -0.288 0.000 0.772 341 Q CB 0.982 29.674 28.738 -0.075 0.000 1.253 341 Q HN 0.227 nan 8.270 nan 0.000 0.450 342 F N 1.442 121.397 119.950 0.009 0.000 2.399 342 F HA 0.458 4.985 4.527 -0.000 0.000 0.334 342 F C -0.370 175.390 175.800 -0.067 0.000 1.097 342 F CA -0.882 57.112 58.000 -0.010 0.000 1.076 342 F CB 0.751 39.612 39.000 -0.231 0.000 1.162 342 F HN 0.396 nan 8.300 nan 0.000 0.495 343 Y N 2.721 123.032 120.300 0.019 0.000 2.575 343 Y HA 0.418 4.968 4.550 -0.000 0.000 0.326 343 Y C -0.963 174.955 175.900 0.029 0.000 0.979 343 Y CA -1.432 56.706 58.100 0.064 0.000 1.286 343 Y CB 0.261 38.749 38.460 0.047 0.000 1.093 343 Y HN 0.360 nan 8.280 nan 0.000 0.501 344 F N 3.467 123.523 119.950 0.177 0.000 2.411 344 F HA 0.450 4.977 4.527 -0.000 0.000 0.355 344 F C 1.133 176.995 175.800 0.103 0.000 1.117 344 F CA -0.736 57.351 58.000 0.144 0.000 1.139 344 F CB 0.890 39.904 39.000 0.024 0.000 1.120 344 F HN 0.527 nan 8.300 nan 0.000 0.493 345 R N 0.163 120.824 120.500 0.269 0.000 2.036 345 R HA -0.293 4.047 4.340 -0.000 0.000 0.114 345 R C 1.043 177.430 176.300 0.145 0.000 0.935 345 R CA 2.261 58.462 56.100 0.167 0.000 1.706 345 R CB -1.762 28.613 30.300 0.124 0.000 0.434 345 R HN 0.712 nan 8.270 nan 0.000 0.665 346 T N -2.821 111.812 114.554 0.131 0.000 3.332 346 T HA 0.286 4.636 4.350 -0.000 0.000 0.304 346 T C 0.036 174.797 174.700 0.102 0.000 0.971 346 T CA -0.004 62.163 62.100 0.112 0.000 0.954 346 T CB 0.809 69.718 68.868 0.069 0.000 1.175 346 T HN 0.312 nan 8.240 nan 0.000 0.519 347 T N 2.957 117.581 114.554 0.116 0.000 2.910 347 T HA 0.619 4.969 4.350 -0.000 0.000 0.279 347 T C -1.216 173.454 174.700 -0.050 0.000 0.989 347 T CA -0.571 61.560 62.100 0.052 0.000 0.968 347 T CB 1.391 70.299 68.868 0.067 0.000 1.135 347 T HN 0.520 nan 8.240 nan 0.000 0.562 348 D N -0.092 120.184 120.400 -0.207 0.000 2.318 348 D HA 0.369 5.009 4.640 -0.000 0.000 0.233 348 D C -0.840 175.262 176.300 -0.329 0.000 1.348 348 D CA -0.534 53.077 54.000 -0.649 0.000 0.983 348 D CB 0.318 40.654 40.800 -0.773 0.000 1.416 348 D HN 0.411 nan 8.370 nan 0.000 0.558 349 V N -0.259 119.550 119.914 -0.176 0.000 3.113 349 V HA 0.839 4.959 4.120 -0.000 0.000 0.316 349 V C 0.113 176.262 176.094 0.092 0.000 1.125 349 V CA -0.803 61.488 62.300 -0.015 0.000 1.026 349 V CB 1.620 33.472 31.823 0.049 0.000 1.080 349 V HN 0.478 nan 8.190 nan 0.000 0.444 350 T N 1.108 115.718 114.554 0.093 0.000 2.779 350 T HA 0.802 5.152 4.350 -0.000 0.000 0.280 350 T C 0.126 174.943 174.700 0.195 0.000 0.987 350 T CA -0.015 62.159 62.100 0.123 0.000 0.966 350 T CB 1.234 70.110 68.868 0.014 0.000 0.933 350 T HN 1.350 nan 8.240 nan 0.000 0.442 351 G N 0.898 109.930 108.800 0.387 0.000 2.605 351 G HA2 0.609 4.569 3.960 -0.000 0.000 0.296 351 G HA3 0.609 4.569 3.960 -0.000 0.000 0.296 351 G C -1.181 173.848 174.900 0.215 0.000 1.304 351 G CA -0.696 44.566 45.100 0.270 0.000 0.941 351 G HN 0.668 nan 8.290 nan 0.000 0.475 352 V N 0.770 120.746 119.914 0.103 0.000 2.406 352 V HA 0.289 4.409 4.120 -0.000 0.000 0.272 352 V C 0.165 176.303 176.094 0.074 0.000 1.043 352 V CA -0.575 61.764 62.300 0.065 0.000 0.915 352 V CB 1.312 33.158 31.823 0.039 0.000 0.988 352 V HN 0.468 nan 8.190 nan 0.000 0.466 353 V N 6.307 126.254 119.914 0.055 0.000 2.353 353 V HA 0.244 4.364 4.120 -0.000 0.000 0.264 353 V C 0.277 176.362 176.094 -0.014 0.000 1.049 353 V CA -0.459 61.830 62.300 -0.019 0.000 0.896 353 V CB 0.965 32.688 31.823 -0.167 0.000 1.025 353 V HN 1.079 nan 8.190 nan 0.000 0.475 354 Q N 5.140 124.955 119.800 0.024 0.000 2.509 354 Q HA 0.569 4.909 4.340 -0.000 0.000 0.236 354 Q C -0.883 175.166 176.000 0.082 0.000 1.073 354 Q CA -0.324 55.509 55.803 0.049 0.000 0.867 354 Q CB 0.921 29.691 28.738 0.053 0.000 1.181 354 Q HN 0.656 nan 8.270 nan 0.000 0.526 355 L N 4.261 125.522 121.223 0.064 0.000 2.462 355 L HA 0.279 4.619 4.340 -0.000 0.000 0.272 355 L C -1.914 175.013 176.870 0.096 0.000 1.166 355 L CA -1.895 53.015 54.840 0.116 0.000 0.880 355 L CB 0.424 42.521 42.059 0.064 0.000 1.142 355 L HN 0.463 nan 8.230 nan 0.000 0.473 356 P HA 0.018 nan 4.420 nan 0.000 0.265 356 P C -2.277 175.054 177.300 0.052 0.000 1.193 356 P CA -0.814 62.329 63.100 0.072 0.000 0.765 356 P CB -0.198 31.544 31.700 0.071 0.000 0.823 357 P HA -0.250 nan 4.420 nan 0.000 0.263 357 P C 0.984 178.299 177.300 0.024 0.000 1.145 357 P CA 1.842 64.959 63.100 0.027 0.000 0.755 357 P CB -0.090 31.624 31.700 0.022 0.000 0.746 358 G N 1.652 110.462 108.800 0.018 0.000 2.268 358 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.240 358 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.240 358 G C -0.003 174.904 174.900 0.011 0.000 1.010 358 G CA 0.071 45.178 45.100 0.012 0.000 0.618 358 G HN 0.709 nan 8.290 nan 0.000 0.516 359 V N 0.308 120.236 119.914 0.023 0.000 2.372 359 V HA 0.711 4.831 4.120 -0.000 0.000 0.261 359 V C 0.464 176.556 176.094 -0.003 0.000 1.055 359 V CA 0.105 62.419 62.300 0.023 0.000 0.930 359 V CB 0.697 32.563 31.823 0.072 0.000 1.031 359 V HN 0.540 nan 8.190 nan 0.000 0.479 360 E N 3.361 123.540 120.200 -0.035 0.000 4.266 360 E HA 0.390 4.740 4.350 -0.000 0.000 0.262 360 E C 0.161 176.688 176.600 -0.122 0.000 0.941 360 E CA -1.088 55.285 56.400 -0.045 0.000 1.317 360 E CB 0.236 29.923 29.700 -0.022 0.000 2.138 360 E HN 0.567 nan 8.360 nan 0.000 0.463 361 M N 2.818 122.376 119.600 -0.071 0.000 3.324 361 M HA 0.024 4.504 4.480 -0.000 0.000 0.233 361 M C -1.299 174.864 176.300 -0.229 0.000 1.662 361 M CA 0.263 55.502 55.300 -0.102 0.000 1.709 361 M CB -0.543 32.062 32.600 0.009 0.000 1.349 361 M HN 0.027 nan 8.290 nan 0.000 0.514 362 V N 6.590 126.225 119.914 -0.464 0.000 2.338 362 V HA 0.154 4.274 4.120 -0.000 0.000 0.255 362 V C 0.877 176.755 176.094 -0.360 0.000 1.082 362 V CA -0.245 61.835 62.300 -0.367 0.000 0.951 362 V CB -0.511 31.120 31.823 -0.319 0.000 1.102 362 V HN 0.793 nan 8.190 nan 0.000 0.489 363 M N 5.491 124.996 119.600 -0.159 0.000 2.043 363 M HA 0.239 4.719 4.480 -0.000 0.000 0.272 363 M C -1.937 174.362 176.300 -0.002 0.000 1.279 363 M CA -0.989 54.272 55.300 -0.065 0.000 1.109 363 M CB -0.066 32.510 32.600 -0.040 0.000 1.377 363 M HN 0.278 nan 8.290 nan 0.000 0.469 364 P HA 0.073 nan 4.420 nan 0.000 0.275 364 P C 0.346 177.619 177.300 -0.045 0.000 1.270 364 P CA 0.278 63.365 63.100 -0.021 0.000 0.791 364 P CB 0.225 31.916 31.700 -0.016 0.000 1.089 365 G N -1.162 107.572 108.800 -0.109 0.000 2.225 365 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.272 365 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.272 365 G C -0.285 174.632 174.900 0.029 0.000 0.996 365 G CA 0.309 45.384 45.100 -0.043 0.000 0.710 365 G HN 0.524 nan 8.290 nan 0.000 0.522 366 D N 0.123 120.509 120.400 -0.023 0.000 2.248 366 D HA 0.311 4.951 4.640 -0.000 0.000 0.246 366 D C 0.157 176.506 176.300 0.081 0.000 1.027 366 D CA -0.443 53.586 54.000 0.048 0.000 0.853 366 D CB 0.851 41.669 40.800 0.029 0.000 1.243 366 D HN 0.401 nan 8.370 nan 0.000 0.462 367 N N 0.214 118.999 118.700 0.141 0.000 2.487 367 N HA 0.532 5.272 4.740 -0.000 0.000 0.292 367 N C -0.306 175.248 175.510 0.073 0.000 1.108 367 N CA -0.647 52.491 53.050 0.147 0.000 0.956 367 N CB 2.091 40.661 38.487 0.139 0.000 1.176 367 N HN 0.105 nan 8.380 nan 0.000 0.484 368 V N -0.062 119.869 119.914 0.028 0.000 3.149 368 V HA 0.603 4.723 4.120 -0.000 0.000 0.310 368 V C -0.514 175.501 176.094 -0.132 0.000 1.353 368 V CA -0.653 61.647 62.300 -0.000 0.000 1.040 368 V CB 1.965 33.868 31.823 0.133 0.000 1.136 368 V HN 0.696 nan 8.190 nan 0.000 0.477 369 T N 2.135 116.590 114.554 -0.165 0.000 4.009 369 T HA 0.535 4.885 4.350 -0.000 0.000 0.323 369 T C -1.052 173.589 174.700 -0.099 0.000 0.760 369 T CA -0.280 61.690 62.100 -0.216 0.000 0.987 369 T CB 0.269 69.087 68.868 -0.083 0.000 1.070 369 T HN 0.649 nan 8.240 nan 0.000 0.471 370 F N -0.621 119.356 119.950 0.044 0.000 2.953 370 F HA 0.972 5.499 4.527 -0.000 0.000 0.360 370 F C -0.127 175.651 175.800 -0.037 0.000 1.249 370 F CA -1.302 56.716 58.000 0.030 0.000 1.063 370 F CB 0.400 39.450 39.000 0.084 0.000 1.500 370 F HN 0.159 nan 8.300 nan 0.000 0.517 371 T N 0.627 115.420 114.554 0.398 0.000 2.916 371 T HA 0.703 5.053 4.350 -0.000 0.000 0.292 371 T C -1.161 173.569 174.700 0.051 0.000 1.055 371 T CA -0.617 61.525 62.100 0.071 0.000 1.009 371 T CB 2.247 71.122 68.868 0.012 0.000 1.118 371 T HN 0.537 nan 8.240 nan 0.000 0.497 372 V N 1.301 121.046 119.914 -0.281 0.000 2.715 372 V HA 0.577 4.697 4.120 -0.000 0.000 0.310 372 V C -0.008 176.051 176.094 -0.057 0.000 1.054 372 V CA -0.702 61.461 62.300 -0.229 0.000 0.928 372 V CB 1.866 33.344 31.823 -0.574 0.000 1.007 372 V HN 0.994 nan 8.190 nan 0.000 0.437 373 E N 2.809 123.000 120.200 -0.015 0.000 4.129 373 E HA 0.383 4.733 4.350 -0.000 0.000 0.222 373 E C -0.704 175.904 176.600 0.014 0.000 1.179 373 E CA -0.361 56.054 56.400 0.025 0.000 1.334 373 E CB 0.523 30.241 29.700 0.030 0.000 1.202 373 E HN 0.648 nan 8.360 nan 0.000 0.428 374 L N 2.802 124.017 121.223 -0.013 0.000 2.667 374 L HA -0.104 4.236 4.340 -0.000 0.000 0.296 374 L C 1.719 178.584 176.870 -0.009 0.000 1.252 374 L CA 0.509 55.341 54.840 -0.014 0.000 0.891 374 L CB 0.130 42.146 42.059 -0.073 0.000 1.141 374 L HN 0.624 nan 8.230 nan 0.000 0.501 375 I N -0.786 119.786 120.570 0.004 0.000 3.528 375 I HA 0.011 4.181 4.170 -0.000 0.000 0.298 375 I C 0.054 176.157 176.117 -0.022 0.000 1.281 375 I CA 0.591 61.888 61.300 -0.006 0.000 1.269 375 I CB -0.469 37.530 38.000 -0.001 0.000 1.013 375 I HN 0.533 nan 8.210 nan 0.000 0.512 376 K N 2.761 123.138 120.400 -0.039 0.000 2.615 376 K HA 0.419 4.739 4.320 -0.000 0.000 0.249 376 K C -2.719 173.825 176.600 -0.092 0.000 0.977 376 K CA -1.699 54.553 56.287 -0.058 0.000 0.833 376 K CB 1.865 34.331 32.500 -0.056 0.000 1.208 376 K HN -0.144 nan 8.250 nan 0.000 0.443 377 P HA -0.071 nan 4.420 nan 0.000 0.264 377 P C -0.427 176.770 177.300 -0.172 0.000 1.183 377 P CA -0.144 62.881 63.100 -0.124 0.000 0.763 377 P CB 0.698 32.333 31.700 -0.108 0.000 0.807 378 V N -0.522 119.247 119.914 -0.242 0.000 3.078 378 V HA 0.798 4.918 4.120 -0.000 0.000 0.311 378 V C -0.348 175.549 176.094 -0.330 0.000 1.138 378 V CA -1.511 60.601 62.300 -0.313 0.000 1.007 378 V CB 1.752 33.288 31.823 -0.478 0.000 1.045 378 V HN 0.589 nan 8.190 nan 0.000 0.432 379 A N 4.162 126.811 122.820 -0.286 0.000 2.444 379 A HA 0.672 4.992 4.320 -0.000 0.000 0.287 379 A C -0.267 177.168 177.584 -0.248 0.000 1.195 379 A CA 0.047 51.952 52.037 -0.221 0.000 0.858 379 A CB -1.023 17.887 19.000 -0.149 0.000 1.117 379 A HN 0.914 nan 8.150 nan 0.000 0.521 380 L N 1.798 122.923 121.223 -0.164 0.000 2.323 380 L HA 0.608 4.947 4.340 -0.000 0.000 0.265 380 L C 0.724 177.590 176.870 -0.007 0.000 1.012 380 L CA -0.515 54.230 54.840 -0.157 0.000 0.820 380 L CB 2.136 44.023 42.059 -0.287 0.000 1.334 380 L HN 0.884 nan 8.230 nan 0.000 0.427 381 E N 0.678 120.867 120.200 -0.018 0.000 3.293 381 E HA 0.139 4.489 4.350 -0.000 0.000 0.174 381 E C -0.614 175.992 176.600 0.010 0.000 0.958 381 E CA -0.490 55.915 56.400 0.010 0.000 1.352 381 E CB 0.704 30.412 29.700 0.014 0.000 1.066 381 E HN 0.620 nan 8.360 nan 0.000 0.448 382 E N 0.343 120.544 120.200 0.002 0.000 2.610 382 E HA -0.255 4.095 4.350 -0.000 0.000 0.365 382 E C 0.496 177.130 176.600 0.057 0.000 1.339 382 E CA 1.457 57.881 56.400 0.039 0.000 1.305 382 E CB -0.771 28.934 29.700 0.009 0.000 0.473 382 E HN 1.012 nan 8.360 nan 0.000 0.360 383 G N 2.602 111.458 108.800 0.092 0.000 2.140 383 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.211 383 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.211 383 G C -0.421 174.523 174.900 0.073 0.000 1.013 383 G CA -0.041 45.099 45.100 0.068 0.000 0.705 383 G HN 0.634 nan 8.290 nan 0.000 0.508 384 L N 0.935 122.234 121.223 0.127 0.000 2.307 384 L HA 0.762 5.102 4.340 -0.000 0.000 0.284 384 L C 0.748 177.732 176.870 0.189 0.000 1.023 384 L CA -1.304 53.624 54.840 0.148 0.000 0.810 384 L CB 0.836 42.998 42.059 0.171 0.000 1.231 384 L HN 0.239 nan 8.230 nan 0.000 0.423 385 R N 4.662 125.226 120.500 0.108 0.000 2.643 385 R HA 0.550 4.890 4.340 -0.000 0.000 0.270 385 R C -0.970 175.412 176.300 0.137 0.000 1.061 385 R CA 0.264 56.381 56.100 0.028 0.000 1.107 385 R CB 0.501 30.800 30.300 -0.002 0.000 0.999 385 R HN 0.710 nan 8.270 nan 0.000 0.460 386 F N -1.746 118.201 119.950 -0.006 0.000 2.773 386 F HA 0.741 5.268 4.527 -0.000 0.000 0.314 386 F C -1.732 174.029 175.800 -0.065 0.000 1.160 386 F CA -1.283 56.630 58.000 -0.145 0.000 0.920 386 F CB 1.098 39.730 39.000 -0.613 0.000 1.323 386 F HN 0.538 nan 8.300 nan 0.000 0.457 387 A N 1.041 124.074 122.820 0.354 0.000 2.435 387 A HA 0.901 5.221 4.320 -0.000 0.000 0.296 387 A C -1.537 176.260 177.584 0.354 0.000 1.147 387 A CA -1.007 51.181 52.037 0.253 0.000 0.775 387 A CB 1.677 20.728 19.000 0.084 0.000 1.340 387 A HN 0.794 nan 8.150 nan 0.000 0.427 388 I N 1.333 122.012 120.570 0.182 0.000 2.466 388 I HA 0.331 4.501 4.170 -0.000 0.000 0.279 388 I C 0.202 176.269 176.117 -0.083 0.000 1.033 388 I CA -0.161 61.136 61.300 -0.006 0.000 1.123 388 I CB 1.383 39.398 38.000 0.024 0.000 1.237 388 I HN 0.687 nan 8.210 nan 0.000 0.460 389 R N 3.682 124.132 120.500 -0.083 0.000 2.719 389 R HA 0.667 5.007 4.340 -0.000 0.000 0.233 389 R C -0.385 175.858 176.300 -0.096 0.000 1.257 389 R CA -0.854 55.188 56.100 -0.097 0.000 1.109 389 R CB 1.229 31.436 30.300 -0.154 0.000 1.447 389 R HN 0.389 nan 8.270 nan 0.000 0.537 390 E N -0.449 119.707 120.200 -0.073 0.000 3.664 390 E HA 0.087 4.437 4.350 -0.000 0.000 0.378 390 E C -0.984 175.588 176.600 -0.046 0.000 1.032 390 E CA 0.541 56.903 56.400 -0.063 0.000 0.817 390 E CB 0.910 30.581 29.700 -0.049 0.000 1.281 390 E HN 0.766 nan 8.360 nan 0.000 0.488 391 G N 2.705 111.482 108.800 -0.039 0.000 2.256 391 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.272 391 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.272 391 G C 0.914 175.785 174.900 -0.048 0.000 1.076 391 G CA 1.065 46.143 45.100 -0.037 0.000 0.882 391 G HN 1.681 nan 8.290 nan 0.000 0.497 392 G N -1.032 107.736 108.800 -0.054 0.000 2.176 392 G HA2 0.019 3.979 3.960 -0.000 0.000 0.252 392 G HA3 0.019 3.979 3.960 -0.000 0.000 0.252 392 G C 0.284 175.137 174.900 -0.078 0.000 1.024 392 G CA 1.374 46.434 45.100 -0.067 0.000 0.755 392 G HN 2.253 nan 8.290 nan 0.000 0.507 393 R N -2.002 118.446 120.500 -0.087 0.000 2.692 393 R HA 0.632 4.972 4.340 -0.000 0.000 0.269 393 R C -0.882 175.357 176.300 -0.102 0.000 1.030 393 R CA -0.650 55.397 56.100 -0.087 0.000 0.882 393 R CB 0.367 30.620 30.300 -0.079 0.000 1.250 393 R HN 0.065 nan 8.270 nan 0.000 0.465 394 T N 1.577 116.074 114.554 -0.095 0.000 2.817 394 T HA 0.212 4.562 4.350 -0.000 0.000 0.293 394 T C 1.014 175.664 174.700 -0.083 0.000 0.964 394 T CA -0.258 61.782 62.100 -0.099 0.000 1.085 394 T CB 1.572 70.394 68.868 -0.077 0.000 0.921 394 T HN 0.556 nan 8.240 nan 0.000 0.502 395 V N 1.034 120.896 119.914 -0.087 0.000 3.455 395 V HA 0.670 4.790 4.120 -0.000 0.000 0.250 395 V C 0.592 176.627 176.094 -0.098 0.000 1.230 395 V CA 1.036 63.280 62.300 -0.094 0.000 1.105 395 V CB -0.002 31.757 31.823 -0.106 0.000 0.850 395 V HN 0.964 nan 8.190 nan 0.000 0.461 396 G N -0.581 108.185 108.800 -0.058 0.000 2.632 396 G HA2 0.704 4.664 3.960 -0.000 0.000 0.292 396 G HA3 0.704 4.664 3.960 -0.000 0.000 0.292 396 G C -1.397 173.528 174.900 0.042 0.000 1.465 396 G CA -0.252 44.829 45.100 -0.032 0.000 0.824 396 G HN 1.006 nan 8.290 nan 0.000 0.509 397 A N -0.194 122.668 122.820 0.070 0.000 2.304 397 A HA 0.941 5.261 4.320 -0.000 0.000 0.314 397 A C 0.343 177.875 177.584 -0.086 0.000 1.187 397 A CA 0.078 52.137 52.037 0.036 0.000 0.810 397 A CB 1.261 20.328 19.000 0.110 0.000 1.183 397 A HN 1.861 nan 8.150 nan 0.000 0.487 398 G N -0.414 108.147 108.800 -0.398 0.000 2.605 398 G HA2 0.640 4.600 3.960 -0.000 0.000 0.296 398 G HA3 0.640 4.600 3.960 -0.000 0.000 0.296 398 G C -1.518 172.693 174.900 -1.149 0.000 1.304 398 G CA -0.596 44.039 45.100 -0.775 0.000 0.941 398 G HN 1.580 nan 8.290 nan 0.000 0.475 399 V N 1.406 120.913 119.914 -0.678 0.000 2.567 399 V HA 0.433 4.553 4.120 -0.000 0.000 0.298 399 V C -0.054 176.059 176.094 0.032 0.000 1.047 399 V CA -0.624 61.488 62.300 -0.314 0.000 0.880 399 V CB 1.306 33.038 31.823 -0.151 0.000 1.009 399 V HN 0.783 nan 8.190 nan 0.000 0.429 400 V N 6.325 126.463 119.914 0.373 0.000 2.780 400 V HA -0.045 4.075 4.120 -0.000 0.000 0.301 400 V C 1.541 177.788 176.094 0.256 0.000 1.168 400 V CA 1.732 64.357 62.300 0.542 0.000 1.305 400 V CB 0.489 32.588 31.823 0.460 0.000 0.858 400 V HN 1.079 nan 8.190 nan 0.000 0.502 401 T N 3.669 118.359 114.554 0.227 0.000 3.044 401 T HA 0.164 4.514 4.350 -0.000 0.000 0.237 401 T C 0.587 175.342 174.700 0.093 0.000 1.001 401 T CA 0.712 62.876 62.100 0.106 0.000 1.160 401 T CB 0.176 69.074 68.868 0.050 0.000 0.889 401 T HN 0.724 nan 8.240 nan 0.000 0.442 402 K N 0.223 120.693 120.400 0.116 0.000 2.575 402 K HA 0.486 4.806 4.320 -0.000 0.000 0.279 402 K C -2.069 174.592 176.600 0.102 0.000 0.969 402 K CA -0.631 55.697 56.287 0.069 0.000 0.868 402 K CB 1.527 34.048 32.500 0.036 0.000 1.457 402 K HN 0.048 nan 8.250 nan 0.000 0.426 403 I N 5.208 125.784 120.570 0.010 0.000 2.330 403 I HA 0.104 4.274 4.170 -0.000 0.000 0.289 403 I C 1.280 177.395 176.117 -0.003 0.000 1.001 403 I CA -0.790 60.510 61.300 -0.001 0.000 1.193 403 I CB 1.401 39.227 38.000 -0.290 0.000 1.345 403 I HN 0.617 nan 8.210 nan 0.000 0.461 404 L N 4.862 126.125 121.223 0.066 0.000 2.017 404 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 404 L C 0.977 177.876 176.870 0.047 0.000 1.073 404 L CA 1.925 56.795 54.840 0.050 0.000 0.745 404 L CB -0.685 41.410 42.059 0.059 0.000 0.894 404 L HN 0.669 nan 8.230 nan 0.000 0.432 405 E N 0.000 120.244 120.200 0.073 0.000 2.725 405 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 405 E CA 0.000 56.457 56.400 0.095 0.000 0.976 405 E CB 0.000 29.745 29.700 0.075 0.000 0.812 405 E HN 0.000 nan 8.360 nan 0.000 0.440